A0A093K443_STRCA Loading...

Actin, cytoplasmic type 5

AlphaFold DB (P53478), UniProt , Accession A0A093K443, Species STRCA (Struthio camelus australis), Gene n/a, Length 376 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
1M35.3Very low75Confident236 Ų23688.8 Ų88.8100%1.16348%0.48SS*.  0110.20-72.7163.117700103.8D3M1-D3 PolarHBondContact O-N 2.94Å
2A41.6Very low77Confident95 Ų9581.7 Ų81.779%0.78544%0.441SS*.  trans-59.4124.6165.500000104.5E4A2-E4 PolarHBondContact O-N 2.77Å
3D47.6Very low78.4Confident156 Ų15676.3 Ų76.383%0.83441%0.412SS*.  trans-51.2112166.4-69.2-41.3000104.9M1 E5M1-D3 PolarHBondContact O-N 2.94Å; D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.08Å
4E54.7Low79.6Confident185 Ų18571.7 Ų71.786%0.86439%0.392SS*.  trans-59.6105.7175-84.5-179161.200105.2A2 I6A2-E4 PolarHBondContact O-N 2.77Å; E4-I6 PolarHBondContact O-N 3.04Å
5E74Confident80.6Confident159 Ų15967.5 Ų67.574%0.74337%0.37SS*.  trans-59.2112.3-177-161.1174.3-16700106.7D3 A7D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.08Å; E5-A7 PolarHBondContact O-N 3.48Å
6I86Confident81.5Confident101 Ų10164.1 Ų64.152%0.51835%0.354SS..  trans-64114.7-171.3-59.5171000108.2E4 A8 E101 H102E4-I6 PolarHBondContact O-N 3.04Å; I6-A8 PolarHBondContact O-N 3.21Å; I6-E101 VanDerWaalsContact CG2-O 3.23Å; I6-E101 WeakPolarHBondContact CG2-O 3.3Å; I6-H102 VanDerWaalsContact CG2-ND1 3.26Å; I6-H102 WeakPolarHBondContact CG2-ND1 3.17Å
7A93.2Very high82.4Confident39 Ų3964.5 Ų64.532%0.32235%0.354SS..PPolyproline II helixtrans-64132.5-177.600000110.7E5 F22 H102E5-A7 PolarHBondContact O-N 3.48Å; A7-F22 HydrophobicContact CB-CB 4.36Å; A7-F22 HydrophobicContact CB-CD1 4.04Å; A7-H102 PolarHBondContact O-ND1 2.91Å
8A97.3Very high83.2Confident6 Ų660.9 Ų60.95%0.0534%0.335CS..PPolyproline II helixtrans-66.6150.1174.300000111.2I6 F22 A23 P103 A348 W357I6-A8 PolarHBondContact O-N 3.21Å; A8-F22 CarbonylContact O-C 3.57Å; A8-F22 WeakPolarHBondContact O-CA 3.28Å; A8-A23 HydrophobicContact CB-CB 4.15Å; A8-A23 WeakPolarHBondContact O-CB 3.2Å; A8-A23 PolarHBondContact O-N 2.98Å; A8-P103 CarbonylContact C-O 3.59Å; A8-P103 VanDerWaalsContact CA-O 3.28Å; A8-P103 WeakPolarHBondContact CA-O 3.32Å; A8-P103 HydrophobicContact CB-CB 4.01Å; A8-A348 HydrophobicContact CB-CB 4.19Å; A8-W357 HydrophobicContact CB-CH2 3.85Å; A8-W357 HydrophobicContact CB-CZ2 3.65Å
9L98.4Very high84Confident0 Ų059.1 Ų59.10%032%0.323CS..EExtended strand (participates in β ladder)trans-91.3139171.3-54.9179.6000109.6G21 F22 F91 L95 V97 H102 P103 V104 L105L9-G21 WeakPolarHBondContact CA-O 3.5Å; L9-F22 HydrophobicContact CD2-CD1 3.63Å; L9-F22 HydrophobicContact CD2-CD2 4.42Å; L9-F22 HydrophobicContact CD2-CE1 3.6Å; L9-F22 HydrophobicContact CD2-CE2 4.38Å; L9-F22 HydrophobicContact CD2-CG 4.1Å; L9-F22 HydrophobicContact CD2-CZ 4.02Å; L9-F91 HydrophobicContact CD1-CD1 3.8Å; L9-F91 HydrophobicContact CD1-CE1 3.89Å; L9-L95 HydrophobicContact CD1-CD1 4.23Å; L9-L95 HydrophobicContact CD2-CD1 4.11Å; L9-V97 HydrophobicContact CD1-CG2 3.71Å; L9-V97 HydrophobicContact CD2-CG2 4.4Å; L9-H102 HydrophobicContact CD1-CB 3.94Å; L9-H102 HydrophobicContact CD2-CB 4.44Å; L9-H102 HydrophobicContact CG-CB 3.73Å; L9-P103 PolarHBondContact N-O 3.16Å; L9-V104 HydrophobicContact CB-CG2 4.35Å; L9-V104 HydrophobicContact CD1-CG2 4.42Å; L9-V104 WeakPolarHBondContact O-CA 3.22Å; L9-L105 PolarHBondContact O-N 2.87Å
10V98.7Very high84.8Confident0 Ų056.2 Ų56.20%031%0.307CS..EExtended strand (participates in β ladder)trans-113.5122.4173.6178.90000108.1A20 G21 A23 L105 W341 A348V10-A20 VanDerWaalsContact O-CA 3.23Å; V10-A20 WeakPolarHBondContact O-CA 3.32Å; V10-G21 PolarHBondContact N-O 3.42Å; V10-G21 PolarHBondContact O-N 2.99Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; V10-L105 HydrophobicContact CG1-CD2 4.19Å; V10-L105 HydrophobicContact CG2-CB 4.42Å; V10-W341 HydrophobicContact CG1-CG 4.25Å; V10-W341 PolarHBondContact O-NE1 3.29Å; V10-A348 HydrophobicContact CG2-CB 4.26Å
11V98.6Very high85.4Confident0 Ų053.5 Ų53.50%029%0.292CS..EExtended strand (participates in β ladder)trans-123.4102.9-178.6-176.70000109.6N13 A20 T90 F91 V104 L105 L106 T107V11-N13 PolarHBondContact O-N 2.72Å; V11-A20 HydrophobicContact CG2-CB 4.29Å; V11-T90 HydrophobicContact CG1-CG2 4.38Å; V11-T90 HydrophobicContact CG2-CG2 4.2Å; V11-F91 HydrophobicContact CG2-CE1 4.01Å; V11-V104 HydrophobicContact CG2-CG1 4.22Å; V11-L105 PolarHBondContact N-O 3.49Å; V11-L106 HydrophobicContact CB-CD2 3.96Å; V11-L106 HydrophobicContact CG1-CD2 4.16Å; V11-T107 PolarHBondContact O-N 3.12Å; V11-T107 VanDerWaalsContact O-N 3.13Å
12D98.4Very high88.4Confident3 Ų343.2 Ų43.22%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-82.9107.7173.2172.127000110.5G14 C18 K19 T107 Q138 V340 W341D12-G14 PolarHBondContact O-N 2.81Å; D12-C18 WeakPolarHBondContact O-CA 3.37Å; D12-K19 HydrophobicContact CB-CB 4.17Å; D12-K19 PolarHBondContact N-O 2.9Å; D12-K19 PolarHBondContact O-N 3.29Å; D12-K19 IonicContact OD2-NZ 3.67Å; D12-K19 PolarHBondContact OD2-NZ 3.28Å; D12-T107 VanDerWaalsContact CA-OG1 3.29Å; D12-T107 WeakPolarHBondContact CA-OG1 3.5Å; D12-T107 HydrophobicContact CB-CG2 4.1Å; D12-T107 PolarHBondContact OD1-OG1 2.89Å; D12-T107 VanDerWaalsContact OD1-OG1 3.12Å; D12-Q138 PolarHBondContact OD1-NE2 2.79Å; D12-V340 HydrophobicContact CB-CG1 4.11Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.41Å; D12-W341 HydrophobicContact CB-CB 4.22Å
13N95.7Very high91Very high12 Ų1239.4 Ų39.46%0.06421%0.21CC..EExtended strand (participates in β ladder)trans-86.279-177.6-59.1-57.5000111.1V11 I72 M83 W87 L106 T107 Q138V11-N13 PolarHBondContact O-N 2.72Å; N13-I72 HydrophobicContact CB-CD1 4.22Å; N13-M83 HydrophobicContact CB-CE 4.28Å; N13-M83 VanDerWaalsContact OD1-CE 3.24Å; N13-M83 WeakPolarHBondContact OD1-CE 3.29Å; N13-W87 PolarHBondContact OD1-NE1 3.08Å; N13-L106 WeakPolarHBondContact ND2-CD2 3.36Å; N13-T107 PolarHBondContact N-OG1 3.14Å; N13-T107 PolarHBondContact ND2-O 3Å; N13-Q138 PolarHBondContact O-NE2 2.81Å
14G95.3Very high93.2Very high12 Ų1234.4 Ų34.412%0.12420%0.195CC..  trans-85.2148.2175.400000113.6D12 G16 M17 S34D12-G14 PolarHBondContact O-N 2.81Å; G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 3.46Å; G14-M17 WeakPolarHBondContact CA-O 3.46Å; G14-M17 PolarHBondContact N-O 2.88Å; G14-S34 VanDerWaalsContact O-CB 3.3Å; G14-S34 WeakPolarHBondContact O-CB 3.19Å; G14-S34 PolarHBondContact O-OG 3.08Å
15S94.4Very high95.2Very high9 Ų928 Ų286%0.06317%0.166CC..SBendtrans-65.5-27.1178.6-50.80000114.9I72 G75 R184S15-I72 WeakPolarHBondContact OG-CG2 3.48Å; S15-G75 WeakPolarHBondContact OG-CA 3.38Å; S15-G75 PolarHBondContact OG-N 3.37Å; S15-R184 PolarHBondContact O-NH2 3.34Å; S15-R184 VanDerWaalsContact O-NH2 3.1Å
16G94.6Very high96.1Very high12 Ų1227.8 Ų27.812%0.12417%0.17CC..SBendtrans-100.4-41.717600000112.7G14 P33 S34 D158G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 3.46Å; G16-P33 WeakPolarHBondContact O-CA 3.49Å; G16-S34 PolarHBondContact O-N 2.68Å; G16-D158 WeakPolarHBondContact CA-OD2 3.37Å
17M96.5Very high96.6Very high72 Ų7225.5 Ų25.536%0.35517%0.166SC..EExtended strand (participates in β ladder)trans-137.5135-173.9-56.7-63.7-70.100110.7G14 V31 F32 P33G14-M17 WeakPolarHBondContact CA-O 3.46Å; G14-M17 PolarHBondContact N-O 2.88Å; M17-V31 HydrophobicContact CE-CG1 3.76Å; M17-F32 CarbonylContact C-O 3.6Å; M17-F32 WeakPolarHBondContact CA-O 3.35Å; M17-F32 VanDerWaalsContact CE-C 3.44Å; M17-P33 HydrophobicContact CE-CG 4.28Å; M17-P33 HydrophobicContact SD-CB 4.23Å; M17-P33 HydrophobicContact SD-CG 4.07Å
18C97.9Very high96.8Very high0 Ų024.5 Ų24.50%016%0.157CC..EExtended strand (participates in β ladder)trans-90.1141.3166.1-175.60000108.7D12 V31 F32 S34D12-C18 WeakPolarHBondContact O-CA 3.37Å; C18-V31 WeakPolarHBondContact O-CA 3.41Å; C18-F32 HydrophobicContact CB-CD1 4.44Å; C18-F32 HydrophobicContact CB-CD2 4.41Å; C18-F32 HydrophobicContact CB-CE1 3.89Å; C18-F32 HydrophobicContact CB-CE2 3.85Å; C18-F32 HydrophobicContact CB-CZ 3.56Å; C18-F32 PolarHBondContact N-O 2.95Å; C18-F32 PolarHBondContact O-N 3.19Å; C18-S34 PolarHBondContact N-OG 3.04Å
19K98.5Very high96.8Very high26 Ų2631.4 Ų31.411%0.11318%0.182CC..EExtended strand (participates in β ladder)trans-129.2132.3175.1-43.5176.8-166.768.80109D12 P28 A30 V31 K337 Y338 W341D12-K19 HydrophobicContact CB-CB 4.17Å; D12-K19 PolarHBondContact N-O 2.9Å; D12-K19 PolarHBondContact O-N 3.29Å; D12-K19 IonicContact OD2-NZ 3.67Å; D12-K19 PolarHBondContact OD2-NZ 3.28Å; K19-P28 HydrophobicContact CB-CB 4.06Å; K19-P28 HydrophobicContact CB-CG 4.38Å; K19-A30 CarbonylContact C-O 3.19Å; K19-A30 VanDerWaalsContact CA-O 3.29Å; K19-A30 WeakPolarHBondContact CA-O 3.33Å; K19-V31 HydrophobicContact CB-CG2 4.28Å; K19-V31 HydrophobicContact CG-CG1 4.26Å; K19-V31 HydrophobicContact CG-CG2 4.14Å; K19-K337 WeakPolarHBondContact CE-O 3.25Å; K19-Y338 HydrophobicContact CD-CD1 3.69Å; K19-Y338 HydrophobicContact CD-CE1 4.21Å; K19-W341 HydrophobicContact CB-CB 4.42Å; K19-W341 HydrophobicContact CB-CG 4.4Å
20A98.7Very high96.8Very high0 Ų031.7 Ų31.70%018%0.184CC..EExtended strand (participates in β ladder)trans-143.4153.3-176.400000112.5V10 V11 P28 R29 A30 T90 L95V10-A20 VanDerWaalsContact O-CA 3.23Å; V10-A20 WeakPolarHBondContact O-CA 3.32Å; V11-A20 HydrophobicContact CG2-CB 4.29Å; A20-P28 CarbonylContact O-C 3.54Å; A20-R29 PolarHBondContact O-N 2.94Å; A20-A30 PolarHBondContact N-O 3.28Å; A20-A30 PolarHBondContact O-N 2.9Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; A20-L95 HydrophobicContact CB-CD1 4Å; A20-L95 HydrophobicContact CB-CD2 4.29Å; A20-L95 HydrophobicContact CB-CG 4.27Å
21G98.5Very high96.8Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans175.7-171.4179.200000111.2L9 V10L9-G21 WeakPolarHBondContact CA-O 3.5Å; V10-G21 PolarHBondContact N-O 3.42Å; V10-G21 PolarHBondContact O-N 2.99Å
22F98Very high96.8Very high21 Ų2134 Ų349%0.09220%0.197CC..EExtended strand (participates in β ladder)trans-95.6143.8-178.4-64-104.5000110A7 A8 L9 D25 R29 L95 V97 H102A7-F22 HydrophobicContact CB-CB 4.36Å; A7-F22 HydrophobicContact CB-CD1 4.04Å; A8-F22 CarbonylContact O-C 3.57Å; A8-F22 WeakPolarHBondContact O-CA 3.28Å; L9-F22 HydrophobicContact CD2-CD1 3.63Å; L9-F22 HydrophobicContact CD2-CD2 4.42Å; L9-F22 HydrophobicContact CD2-CE1 3.6Å; L9-F22 HydrophobicContact CD2-CE2 4.38Å; L9-F22 HydrophobicContact CD2-CG 4.1Å; L9-F22 HydrophobicContact CD2-CZ 4.02Å; F22-D25 WeakPolarHBondContact O-CB 3.46Å; F22-D25 PolarHBondContact O-N 3.33Å; F22-R29 HydrophobicContact CD2-CG 4.41Å; F22-R29 VanDerWaalsContact CD2-NE 3.25Å; F22-R29 VanDerWaalsContact CD2-NH1 3.34Å; F22-R29 VanDerWaalsContact CE2-CZ 3.43Å; F22-L95 HydrophobicContact CE2-CD2 4.46Å; F22-V97 HydrophobicContact CE1-CG1 4.16Å; F22-V97 HydrophobicContact CZ-CG1 3.58Å; F22-H102 AromaticContact CE1-CE1 3.83Å
23A96.8Very high96.7Very high15 Ų1534.6 Ų34.612%0.12420%0.202CC..THydrogen-bonded Turntrans-60.6137.817100000110.2A8 V10 A348A8-A23 HydrophobicContact CB-CB 4.15Å; A8-A23 WeakPolarHBondContact O-CB 3.2Å; A8-A23 PolarHBondContact O-N 2.98Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; A23-A348 HydrophobicContact CB-CB 3.63Å
24G94.2Very high96.8Very high50 Ų5034.1 Ų34.152%0.51520%0.199SC..THydrogen-bonded Turntrans91.3-14.7-173.700000114.8S345G24-S345 PolarHBondContact N-OG 3.35Å
25D95.9Very high96.9Very high50 Ų5033.6 Ų33.627%0.26719%0.194SC..  trans-74.7146.4170.7-71.8-13.1000110.3F22 A27 R29 W341 S345F22-D25 WeakPolarHBondContact O-CB 3.46Å; F22-D25 PolarHBondContact O-N 3.33Å; D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 3.44Å; D25-R29 IonicContact OD1-NH2 3.84Å; D25-R29 PolarHBondContact OD1-NH2 2.88Å; D25-R29 IonicContact OD2-CZ 2.75Å; D25-R29 VanDerWaalsContact OD2-CZ 3.3Å; D25-R29 IonicContact OD2-NE 2.92Å; D25-R29 PolarHBondContact OD2-NE 2.82Å; D25-R29 IonicContact OD2-NH2 2.95Å; D25-R29 PolarHBondContact OD2-NH2 2.84Å; D25-W341 HydrophobicContact CB-CH2 3.87Å; D25-W341 WeakPolarHBondContact O-CH2 3.49Å; D25-W341 WeakPolarHBondContact O-CZ3 3.3Å; D25-S345 PolarHBondContact N-OG 3Å; D25-S345 PolarHBondContact O-OG 3.06Å
26D93.4Very high97.1Very high155 Ų15533.2 Ų33.283%0.82919%0.191SC*.SBendtrans-75.4-17.5-179.1-67.3-41.7000113.9
27A95.8Very high97.2Very high53 Ų5332.6 Ų32.644%0.43819%0.185SC..SBendtrans-150.5153.3-177.500000111D25 R29 W341D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 3.44Å; A27-R29 PolarHBondContact O-N 2.87Å; A27-W341 VanDerWaalsContact C-CH2 3.42Å; A27-W341 VanDerWaalsContact O-CH2 3.26Å; A27-W341 WeakPolarHBondContact O-CH2 3.4Å; A27-W341 WeakPolarHBondContact O-CZ3 3.48Å
28P97.8Very high97.1Very high18 Ų1833.1 Ų33.112%0.11718%0.183CC..  trans-61.4138.4176.525.6-33.8000110.6K19 A20 A30 V31 Y338 W341K19-P28 HydrophobicContact CB-CB 4.06Å; K19-P28 HydrophobicContact CB-CG 4.38Å; A20-P28 CarbonylContact O-C 3.54Å; P28-A30 VanDerWaalsContact C-N 3.32Å; P28-V31 HydrophobicContact CB-CG2 4.07Å; P28-V31 HydrophobicContact CG-CG2 3.64Å; P28-Y338 HydrophobicContact CG-CD1 4.17Å; P28-Y338 HydrophobicContact CG-CE1 4.42Å; P28-Y338 HydrophobicContact CG-CG 4.34Å; P28-W341 HydrophobicContact CB-CD2 3.72Å; P28-W341 HydrophobicContact CB-CE3 4.15Å; P28-W341 HydrophobicContact CB-CG 3.99Å; P28-W341 HydrophobicContact CB-CZ2 4.47Å; P28-W341 HydrophobicContact CG-CD2 4.31Å; P28-W341 HydrophobicContact CG-CE3 4.38Å
29R97.7Very high96.8Very high152 Ų15235.3 Ų35.357%0.57420%0.197SC*.SBendtrans-72.6-28.1174.5-65.9-162-176.1176.16.2112.5A20 F22 D25 A27 L95A20-R29 PolarHBondContact O-N 2.94Å; F22-R29 HydrophobicContact CD2-CG 4.41Å; F22-R29 VanDerWaalsContact CD2-NE 3.25Å; F22-R29 VanDerWaalsContact CD2-NH1 3.34Å; F22-R29 VanDerWaalsContact CE2-CZ 3.43Å; D25-R29 IonicContact OD1-NH2 3.84Å; D25-R29 PolarHBondContact OD1-NH2 2.88Å; D25-R29 IonicContact OD2-CZ 2.75Å; D25-R29 VanDerWaalsContact OD2-CZ 3.3Å; D25-R29 IonicContact OD2-NE 2.92Å; D25-R29 PolarHBondContact OD2-NE 2.82Å; D25-R29 IonicContact OD2-NH2 2.95Å; D25-R29 PolarHBondContact OD2-NH2 2.84Å; A27-R29 PolarHBondContact O-N 2.87Å; R29-L95 HydrophobicContact CB-CD2 3.97Å
30A98.2Very high96.3Very high5 Ų540 Ų404%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-133.7137.6-178.900000111K19 A20 P28 F32 E94K19-A30 CarbonylContact C-O 3.19Å; K19-A30 VanDerWaalsContact CA-O 3.29Å; K19-A30 WeakPolarHBondContact CA-O 3.33Å; A20-A30 PolarHBondContact N-O 3.28Å; A20-A30 PolarHBondContact O-N 2.9Å; P28-A30 VanDerWaalsContact C-N 3.32Å; A30-F32 HydrophobicContact CB-CD1 4.44Å; A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.24Å
31V98Very high95.5Very high48 Ų4846.1 Ų46.129%0.29124%0.243SC..EExtended strand (participates in β ladder)trans-141.6110.3173.1179.50000107.6M17 C18 K19 P28 Y338M17-V31 HydrophobicContact CE-CG1 3.76Å; C18-V31 WeakPolarHBondContact O-CA 3.41Å; K19-V31 HydrophobicContact CB-CG2 4.28Å; K19-V31 HydrophobicContact CG-CG1 4.26Å; K19-V31 HydrophobicContact CG-CG2 4.14Å; P28-V31 HydrophobicContact CB-CG2 4.07Å; P28-V31 HydrophobicContact CG-CG2 3.64Å; V31-Y338 HydrophobicContact CG2-CE1 4.08Å
32F98.1Very high94.1Very high0 Ų055.8 Ų55.80%029%0.288CS..EExtended strand (participates in β ladder)trans-142.2157.3-174.264.9-89.1000111.7M17 C18 A30 S34 V55 I86 H89 T90 E94M17-F32 CarbonylContact C-O 3.6Å; M17-F32 WeakPolarHBondContact CA-O 3.35Å; M17-F32 VanDerWaalsContact CE-C 3.44Å; C18-F32 HydrophobicContact CB-CD1 4.44Å; C18-F32 HydrophobicContact CB-CD2 4.41Å; C18-F32 HydrophobicContact CB-CE1 3.89Å; C18-F32 HydrophobicContact CB-CE2 3.85Å; C18-F32 HydrophobicContact CB-CZ 3.56Å; C18-F32 PolarHBondContact N-O 2.95Å; C18-F32 PolarHBondContact O-N 3.19Å; A30-F32 HydrophobicContact CB-CD1 4.44Å; F32-S34 PolarHBondContact O-N 2.82Å; F32-V55 HydrophobicContact CE2-CG1 4.29Å; F32-I86 HydrophobicContact CE2-CG2 4.12Å; F32-I86 HydrophobicContact CZ-CG2 4.17Å; F32-H89 AromaticContact CE2-CD2 3.75Å; F32-H89 AromaticContact CZ-CD2 3.99Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.46Å; F32-E94 HydrophobicContact CD1-CG 3.77Å; F32-E94 HydrophobicContact CE1-CG 3.82Å
33P97.4Very high92.7Very high17 Ų1756.7 Ų56.711%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-61.6134.4179.9-2535000113.3G16 M17 I35 G56 D57G16-P33 WeakPolarHBondContact O-CA 3.49Å; M17-P33 HydrophobicContact CE-CG 4.28Å; M17-P33 HydrophobicContact SD-CB 4.23Å; M17-P33 HydrophobicContact SD-CG 4.07Å; P33-I35 HydrophobicContact CB-CD1 3.91Å; P33-I35 HydrophobicContact CB-CG1 3.94Å; P33-I35 HydrophobicContact CB-CG2 4.34Å; P33-I35 PolarHBondContact O-N 2.76Å; P33-G56 WeakPolarHBondContact O-CA 3.41Å; P33-D57 WeakPolarHBondContact CD-OD1 3.3Å
34S97.4Very high91Very high1 Ų159.5 Ų59.51%0.00732%0.318CS..  trans-77.962.2177.9-61.40000111.8G14 G16 C18 F32 P71G14-S34 VanDerWaalsContact O-CB 3.3Å; G14-S34 WeakPolarHBondContact O-CB 3.19Å; G14-S34 PolarHBondContact O-OG 3.08Å; G16-S34 PolarHBondContact O-N 2.68Å; C18-S34 PolarHBondContact N-OG 3.04Å; F32-S34 PolarHBondContact O-N 2.82Å; S34-P71 WeakPolarHBondContact O-CD 3.3Å
35I97.1Very high89.4Confident2 Ų257.5 Ų57.51%0.0130%0.296CS..  trans-132.3149-173.466.9-177.8000112.5P33 V55 G56 A59 Q60 L68 K69 Y70P33-I35 HydrophobicContact CB-CD1 3.91Å; P33-I35 HydrophobicContact CB-CG1 3.94Å; P33-I35 HydrophobicContact CB-CG2 4.34Å; P33-I35 PolarHBondContact O-N 2.76Å; I35-V55 WeakPolarHBondContact O-CA 3.49Å; I35-G56 PolarHBondContact O-N 2.85Å; I35-G56 VanDerWaalsContact O-N 3.15Å; I35-A59 HydrophobicContact CD1-CB 4.08Å; I35-A59 HydrophobicContact CG1-CB 4.01Å; I35-Q60 HydrophobicContact CD1-CB 4.02Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.26Å; I35-L68 HydrophobicContact CD1-CD1 4.21Å; I35-K69 WeakPolarHBondContact CA-O 3.33Å; I35-Y70 HydrophobicContact CG2-CD1 3.47Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.47Å; I35-Y70 HydrophobicContact CG2-CE1 3.23Å; I35-Y70 HydrophobicContact CG2-CG 4.24Å
36V98Very high87.6Confident0 Ų061.1 Ų61.10%032%0.319CS..EExtended strand (participates in β ladder)trans-121.7126.1170.6-176.90000109.2Y54 V55 K69 D82 K85 I86V36-Y54 CarbonylContact C-O 3.5Å; V36-Y54 WeakPolarHBondContact CA-O 3.38Å; V36-V55 HydrophobicContact CG2-CG2 4.37Å; V36-K69 PolarHBondContact N-O 3.36Å; V36-K69 PolarHBondContact O-N 2.88Å; V36-D82 HydrophobicContact CB-CB 4.26Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; V36-K85 HydrophobicContact CG1-CD 4.08Å; V36-K85 HydrophobicContact CG2-CB 4.44Å; V36-I86 HydrophobicContact CG2-CD1 4.45Å; V36-I86 HydrophobicContact CG2-CG1 4.03Å
37G96.4Very high86.2Confident0 Ų057.6 Ų57.60%032%0.319CS..EExtended strand (participates in β ladder)trans-108.6135.9178.300000112.5S53 Y54 T67G37-S53 CarbonylContact O-C 3.5Å; G37-S53 VanDerWaalsContact O-CA 3.31Å; G37-S53 WeakPolarHBondContact O-CA 3.45Å; G37-Y54 PolarHBondContact N-O 2.89Å; G37-Y54 PolarHBondContact O-N 3.34Å; G37-T67 WeakPolarHBondContact CA-O 3.31Å
38R94.8Very high84.6Confident82 Ų8261.5 Ų61.531%0.30933%0.33SS..EExtended strand (participates in β ladder)trans-122141.7174.6-68.4178176.183.9-11.3111.3R40 L66 T67 D82R38-R40 PolarHBondContact O-N 2.98Å; R38-L66 CarbonylContact O-C 3.6Å; R38-L66 VanDerWaalsContact O-CA 3.3Å; R38-L66 WeakPolarHBondContact O-CA 3.3Å; R38-T67 PolarHBondContact N-O 3.45Å; R38-T67 PolarHBondContact O-N 3.38Å; R38-D82 IonicContact CZ-OD1 3.87Å; R38-D82 VanDerWaalsContact CZ-OD1 3.27Å; R38-D82 IonicContact CZ-OD2 2.89Å; R38-D82 IonicContact NH1-OD1 3.8Å; R38-D82 PolarHBondContact NH1-OD1 3.22Å; R38-D82 VanDerWaalsContact NH1-OD1 3.1Å; R38-D82 IonicContact NH1-OD2 2.79Å; R38-D82 PolarHBondContact NH1-OD2 2.93Å; R38-D82 IonicContact NH2-OD1 3.33Å; R38-D82 PolarHBondContact NH2-OD1 3.26Å; R38-D82 IonicContact NH2-OD2 3.21Å
39P91.9Very high83Confident47 Ų4763.1 Ų63.131%0.30535%0.35SS..EExtended strand (participates in β ladder)trans-54.1132.9178.2-19.225.8000112.3M45 D52 Y54 L66P39-M45 HydrophobicContact CB-CE 3.73Å; P39-M45 HydrophobicContact CG-CE 3.6Å; P39-M45 HydrophobicContact CG-SD 4.06Å; P39-D52 WeakPolarHBondContact CD-O 3.05Å; P39-Y54 HydrophobicContact CG-CE2 4.47Å; P39-L66 HydrophobicContact CG-CD2 4.49Å
40R88Confident81.7Confident125 Ų12562.1 Ų62.147%0.47235%0.352SS..SBendtrans-70.8-33.4176.9-73.6-178.8-170.7-174.28.4113.6R38 I65 L66 T67R38-R40 PolarHBondContact O-N 2.98Å; R40-I65 PolarHBondContact N-O 3.21Å; R40-L66 PolarHBondContact NE-O 3.12Å; R40-L66 PolarHBondContact NH2-O 3.13Å; R40-L66 VanDerWaalsContact NH2-O 3.07Å; R40-T67 WeakPolarHBondContact CG-OG1 3.42Å
41H81.4Confident80.9Confident128 Ų12866.6 Ų66.659%0.59337%0.371SS*.SBendtrans-135.8140.9179.8-43.988000109.4V44H41-V44 HydrophobicContact CB-CG2 3.69Å
42Q70.8Confident80.5Confident203 Ų20371.3 Ų71.395%0.94939%0.394SS*.THydrogen-bonded Turntrans-64.6135.8172.6-71.7179.7-13.800109.5
43G67.2Low80.3Confident39 Ų3972.7 Ų72.740%0.40240%0.404SS..THydrogen-bonded Turntrans89.1-5.4177.500000116.5M45 V46G43-M45 PolarHBondContact O-N 3.13Å; G43-V46 WeakPolarHBondContact O-CG2 3.35Å; G43-V46 PolarHBondContact O-N 3.16Å
44V60.9Low80.2Confident75 Ų7572 Ų7246%0.45540%0.399SS..THydrogen-bonded Turntrans-65.3-15.7176.3-177.10000112.3H41 I65H41-V44 HydrophobicContact CB-CG2 3.69Å; V44-I65 HydrophobicContact CG1-CB 4.26Å; V44-I65 HydrophobicContact CG1-CG2 4.06Å
45M61.2Low80.2Confident8 Ų872.5 Ų72.54%0.03940%0.402CS..THydrogen-bonded Turntrans-11228.8-175.2-59178.2-170.300113.8P39 G43 G47 M48 Q50 Y54 I65 L66P39-M45 HydrophobicContact CB-CE 3.73Å; P39-M45 HydrophobicContact CG-CE 3.6Å; P39-M45 HydrophobicContact CG-SD 4.06Å; G43-M45 PolarHBondContact O-N 3.13Å; M45-G47 PolarHBondContact O-N 3.18Å; M45-M48 PolarHBondContact O-N 2.91Å; M45-Q50 HydrophobicContact CB-CG 4Å; M45-Y54 HydrophobicContact CE-CD2 4.41Å; M45-Y54 HydrophobicContact CE-CE2 3.56Å; M45-Y54 HydrophobicContact SD-CE2 3.64Å; M45-Y54 PolarHBondContact SD-OH 2.89Å; M45-I65 HydrophobicContact CE-CD1 4Å; M45-I65 HydrophobicContact CE-CG1 4.48Å; M45-L66 HydrophobicContact CE-CD2 3.4Å
46V58.4Low80.2Confident125 Ų12572.4 Ų72.476%0.75840%0.401SS*.THydrogen-bonded Turntrans-57.1117.8172.4-178.10000108.9G43G43-V46 WeakPolarHBondContact O-CG2 3.35Å; G43-V46 PolarHBondContact O-N 3.16Å
47G63.8Low80.1Confident81 Ų8176.5 Ų76.584%0.83542%0.423SS*.THydrogen-bonded Turntrans97.1-10.7177.300000116.8M45M45-G47 PolarHBondContact O-N 3.18Å
48M62.3Low80.1Confident136 Ų13679.2 Ų79.267%0.6744%0.436SS*.SBendtrans-97.36.7-177.6-66.2-169.3100.700115M45M45-M48 PolarHBondContact O-N 2.91Å
49G64.2Low80.1Confident52 Ų5275.3 Ų75.354%0.53642%0.421SS..  trans73.192.6-169.100000110K51 Y54G49-K51 PolarHBondContact O-N 3.38Å; G49-Y54 PolarHBondContact O-OH 3.49Å
50Q69.7Low80.2Confident130 Ų13075.2 Ų75.261%0.60742%0.417SS*.  trans-66.9102.1-178.5-79.9-179.7-20.700110.4M45M45-Q50 HydrophobicContact CB-CG 4Å
51K82.8Confident80.4Confident100 Ų10073.8 Ų73.844%0.43543%0.426SS..  trans-91.5145.4161.3-59.3-178.9-172.6170.40109.6G49 S53 Y54 E58G49-K51 PolarHBondContact O-N 3.38Å; K51-S53 WeakPolarHBondContact CB-O 3.31Å; K51-S53 PolarHBondContact O-N 3.06Å; K51-Y54 HydrophobicContact CB-CE1 4.06Å; K51-Y54 HydrophobicContact CB-CE2 4.35Å; K51-Y54 HydrophobicContact CD-CD1 4.32Å; K51-Y54 HydrophobicContact CD-CE1 3.99Å; K51-Y54 HydrophobicContact CG-CE1 4.29Å; K51-Y54 PolarHBondContact N-OH 3.02Å; K51-E58 IonicContact NZ-OE1 2.91Å; K51-E58 IonicContact NZ-OE2 2.73Å; K51-E58 PolarHBondContact NZ-OE2 3.48Å
52D88.1Confident80.8Confident146 Ų14669.9 Ų69.978%0.78141%0.407SS*.SBendtrans-69.8-24.7175-65.4-32000112.6P39P39-D52 WeakPolarHBondContact CD-O 3.05Å
53S94Very high81.8Confident29 Ų2961 Ų6120%0.20337%0.365CS..  trans-150.3155.5178.260.90000112.2G37 K51 K85G37-S53 CarbonylContact O-C 3.5Å; G37-S53 VanDerWaalsContact O-CA 3.31Å; G37-S53 WeakPolarHBondContact O-CA 3.45Å; K51-S53 WeakPolarHBondContact CB-O 3.31Å; K51-S53 PolarHBondContact O-N 3.06Å; S53-K85 WeakPolarHBondContact OG-CD 3.38Å
54Y95.8Very high82.8Confident3 Ų362.4 Ų62.41%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-125.6149.7177.8-61.3-84.4000108.2V36 G37 P39 M45 G49 K51 E58 K62 L66V36-Y54 CarbonylContact C-O 3.5Å; V36-Y54 WeakPolarHBondContact CA-O 3.38Å; G37-Y54 PolarHBondContact N-O 2.89Å; G37-Y54 PolarHBondContact O-N 3.34Å; P39-Y54 HydrophobicContact CG-CE2 4.47Å; M45-Y54 HydrophobicContact CE-CD2 4.41Å; M45-Y54 HydrophobicContact CE-CE2 3.56Å; M45-Y54 HydrophobicContact SD-CE2 3.64Å; M45-Y54 PolarHBondContact SD-OH 2.89Å; G49-Y54 PolarHBondContact O-OH 3.49Å; K51-Y54 HydrophobicContact CB-CE1 4.06Å; K51-Y54 HydrophobicContact CB-CE2 4.35Å; K51-Y54 HydrophobicContact CD-CD1 4.32Å; K51-Y54 HydrophobicContact CD-CE1 3.99Å; K51-Y54 HydrophobicContact CG-CE1 4.29Å; K51-Y54 PolarHBondContact N-OH 3.02Å; Y54-E58 HydrophobicContact CD1-CG 3.77Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.18Å; Y54-E58 VanDerWaalsContact CE1-OE1 3.24Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.16Å; Y54-K62 HydrophobicContact CD1-CD 4.17Å; Y54-K62 HydrophobicContact CE1-CD 4.19Å; Y54-K62 HydrophobicContact CG-CD 4.48Å; Y54-L66 HydrophobicContact CD2-CD1 3.77Å; Y54-L66 HydrophobicContact CD2-CD2 3.76Å; Y54-L66 HydrophobicContact CD2-CG 4.46Å; Y54-L66 HydrophobicContact CE2-CD2 4.08Å; Y54-L66 HydrophobicContact CG-CD1 4.01Å
55V97.7Very high84.1Confident11 Ų1162 Ų627%0.06737%0.374CS..EExtended strand (participates in β ladder)trans-129.2151.6-177.6-177.10000109.5F32 I35 V36 E58 A59 K85 I86 H89F32-V55 HydrophobicContact CE2-CG1 4.29Å; I35-V55 WeakPolarHBondContact O-CA 3.49Å; V36-V55 HydrophobicContact CG2-CG2 4.37Å; V55-E58 PolarHBondContact O-N 3.15Å; V55-A59 PolarHBondContact O-N 2.89Å; V55-K85 HydrophobicContact CG2-CB 4.19Å; V55-I86 HydrophobicContact CG1-CG1 3.94Å; V55-H89 HydrophobicContact CB-CB 3.9Å; V55-H89 HydrophobicContact CG1-CB 3.68Å; V55-H89 HydrophobicContact CG2-CB 4.24Å
56G97.2Very high85.6Confident0 Ų061.6 Ų61.60%037%0.372CS..Hα-helixtrans62.3-137.516900000114P33 I35 E58 A59 Q60P33-G56 WeakPolarHBondContact O-CA 3.41Å; I35-G56 PolarHBondContact O-N 2.85Å; I35-G56 VanDerWaalsContact O-N 3.15Å; G56-E58 PolarHBondContact O-N 2.67Å; G56-A59 WeakPolarHBondContact O-CB 3.27Å; G56-A59 PolarHBondContact O-N 3.32Å; G56-Q60 PolarHBondContact O-N 2.94Å
57D96.4Very high87.3Confident87 Ų8758.9 Ų58.947%0.46536%0.356SS..Hα-helixtrans-63-29.6-178.5-67-40.6000112.6P33 A59 Q60 S61P33-D57 WeakPolarHBondContact CD-OD1 3.3Å; D57-A59 VanDerWaalsContact C-N 3.35Å; D57-Q60 PolarHBondContact O-N 3.41Å; D57-S61 WeakPolarHBondContact O-CB 3.44Å; D57-S61 PolarHBondContact O-N 3.18Å; D57-S61 PolarHBondContact O-OG 2.91Å
58E94.6Very high88.7Confident57 Ų5756.6 Ų56.627%0.26632%0.324SS..Hα-helixtrans-65.4-40.3174.2-164.7-177.1178.400111K51 Y54 V55 G56 S61 K62K51-E58 IonicContact NZ-OE1 2.91Å; K51-E58 IonicContact NZ-OE2 2.73Å; K51-E58 PolarHBondContact NZ-OE2 3.48Å; Y54-E58 HydrophobicContact CD1-CG 3.77Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.18Å; Y54-E58 VanDerWaalsContact CE1-OE1 3.24Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.16Å; V55-E58 PolarHBondContact O-N 3.15Å; G56-E58 PolarHBondContact O-N 2.67Å; E58-S61 PolarHBondContact O-OG 3.15Å; E58-S61 VanDerWaalsContact O-OG 3.07Å; E58-K62 HydrophobicContact CG-CD 4.48Å; E58-K62 WeakPolarHBondContact O-CG 3.37Å; E58-K62 IonicContact OE1-NZ 3.07Å; E58-K62 PolarHBondContact OE1-NZ 3.41Å
59A95.3Very high90.3Very high0 Ų055.2 Ų55.20%032%0.315CS..Hα-helixtrans-69.5-40.4173.500000111.6I35 V55 G56 D57 K62 R63 L66 L68I35-A59 HydrophobicContact CD1-CB 4.08Å; I35-A59 HydrophobicContact CG1-CB 4.01Å; V55-A59 PolarHBondContact O-N 2.89Å; G56-A59 WeakPolarHBondContact O-CB 3.27Å; G56-A59 PolarHBondContact O-N 3.32Å; D57-A59 VanDerWaalsContact C-N 3.35Å; A59-K62 CarbonylContact O-C 3.58Å; A59-K62 PolarHBondContact O-N 3.28Å; A59-R63 PolarHBondContact O-N 3.1Å; A59-L66 HydrophobicContact CB-CD1 4.35Å; A59-L68 HydrophobicContact CB-CD2 4.01Å
60Q93.8Very high91.8Very high44 Ų4455.9 Ų55.921%0.20630%0.301CS..Hα-helixtrans-62.6-48.3-178.4-172.562.21100112.1I35 G56 D57 K62 R63 E208I35-Q60 HydrophobicContact CD1-CB 4.02Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.26Å; G56-Q60 PolarHBondContact O-N 2.94Å; D57-Q60 PolarHBondContact O-N 3.41Å; Q60-K62 PolarHBondContact O-N 3.31Å; Q60-R63 VanDerWaalsContact O-CB 3.28Å; Q60-R63 WeakPolarHBondContact O-CB 3.34Å; Q60-R63 PolarHBondContact O-N 2.86Å; Q60-E208 VanDerWaalsContact NE2-CD 3.26Å; Q60-E208 VanDerWaalsContact NE2-CG 3.31Å
61S92.3Very high93.2Very high95 Ų9549.7 Ų49.766%0.66427%0.273SS*.Hα-helixtrans-62.3-24.9178.857.30000113.3D57 E58D57-S61 WeakPolarHBondContact O-CB 3.44Å; D57-S61 PolarHBondContact O-N 3.18Å; D57-S61 PolarHBondContact O-OG 2.91Å; E58-S61 PolarHBondContact O-OG 3.15Å; E58-S61 VanDerWaalsContact O-OG 3.07Å
62K91.2Very high93.8Very high46 Ų4645.1 Ų45.120%0.225%0.253CS..THydrogen-bonded Turntrans-102.214-179.8-64.1170.9-176.41680113.3Y54 E58 A59 Q60 G64 I65 L66Y54-K62 HydrophobicContact CD1-CD 4.17Å; Y54-K62 HydrophobicContact CE1-CD 4.19Å; Y54-K62 HydrophobicContact CG-CD 4.48Å; E58-K62 HydrophobicContact CG-CD 4.48Å; E58-K62 WeakPolarHBondContact O-CG 3.37Å; E58-K62 IonicContact OE1-NZ 3.07Å; E58-K62 PolarHBondContact OE1-NZ 3.41Å; A59-K62 CarbonylContact O-C 3.58Å; A59-K62 PolarHBondContact O-N 3.28Å; Q60-K62 PolarHBondContact O-N 3.31Å; K62-G64 PolarHBondContact O-N 3.05Å; K62-I65 HydrophobicContact CB-CG1 4.21Å; K62-I65 VanDerWaalsContact O-CG1 3.3Å; K62-I65 WeakPolarHBondContact O-CG1 3.18Å; K62-I65 PolarHBondContact O-N 3.43Å; K62-L66 HydrophobicContact CB-CD1 3.56Å; K62-L66 HydrophobicContact CB-CG 3.83Å; K62-L66 WeakPolarHBondContact O-CG 3.36Å; K62-L66 PolarHBondContact O-N 3.03Å; K62-L66 VanDerWaalsContact O-N 3.15Å
63R91.1Very high94.1Very high17 Ų1742.7 Ų42.76%0.06424%0.237CC..THydrogen-bonded Turntrans-49.9-34-176178.8174.3-69.1-131.8-6114.8A59 Q60 I65 L66 L68 Y70 T204 E208A59-R63 PolarHBondContact O-N 3.1Å; Q60-R63 VanDerWaalsContact O-CB 3.28Å; Q60-R63 WeakPolarHBondContact O-CB 3.34Å; Q60-R63 PolarHBondContact O-N 2.86Å; R63-I65 VanDerWaalsContact C-N 3.27Å; R63-I65 PolarHBondContact O-N 3.4Å; R63-L66 PolarHBondContact O-N 3.49Å; R63-L66 VanDerWaalsContact O-O 3.07Å; R63-L68 HydrophobicContact CB-CD1 3.87Å; R63-L68 HydrophobicContact CG-CD1 3.59Å; R63-L68 HydrophobicContact CG-CG 4.35Å; R63-L68 VanDerWaalsContact CZ-CD1 3.4Å; R63-Y70 PolarHBondContact NH2-OH 3.47Å; R63-T204 PolarHBondContact NH1-O 3.42Å; R63-E208 IonicContact CZ-OE1 3.59Å; R63-E208 IonicContact NH1-OE1 3.3Å; R63-E208 PolarHBondContact NH1-OE1 2.91Å; R63-E208 IonicContact NH2-OE1 3.01Å; R63-E208 PolarHBondContact NH2-OE1 3.43Å
64G87.2Confident94Very high69 Ų6944.6 Ų44.671%0.71124%0.243SC*.THydrogen-bonded Turntrans-62.7-29.6179.600000114.4K62K62-G64 PolarHBondContact O-N 3.05Å
65I89.6Confident93.9Very high65 Ų6545.1 Ų45.133%0.33325%0.248SC..THydrogen-bonded Turntrans-111.5-5.3-178.261.5171.4000113.3R40 V44 M45 K62 R63R40-I65 PolarHBondContact N-O 3.21Å; V44-I65 HydrophobicContact CG1-CB 4.26Å; V44-I65 HydrophobicContact CG1-CG2 4.06Å; M45-I65 HydrophobicContact CE-CD1 4Å; M45-I65 HydrophobicContact CE-CG1 4.48Å; K62-I65 HydrophobicContact CB-CG1 4.21Å; K62-I65 VanDerWaalsContact O-CG1 3.3Å; K62-I65 WeakPolarHBondContact O-CG1 3.18Å; K62-I65 PolarHBondContact O-N 3.43Å; R63-I65 VanDerWaalsContact C-N 3.27Å; R63-I65 PolarHBondContact O-N 3.4Å
66L92.1Very high93.8Very high0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-106.7149.4179.8-59.3-175.7000112R38 P39 R40 M45 Y54 A59 K62 R63 L68R38-L66 CarbonylContact O-C 3.6Å; R38-L66 VanDerWaalsContact O-CA 3.3Å; R38-L66 WeakPolarHBondContact O-CA 3.3Å; P39-L66 HydrophobicContact CG-CD2 4.49Å; R40-L66 PolarHBondContact NE-O 3.12Å; R40-L66 PolarHBondContact NH2-O 3.13Å; R40-L66 VanDerWaalsContact NH2-O 3.07Å; M45-L66 HydrophobicContact CE-CD2 3.4Å; Y54-L66 HydrophobicContact CD2-CD1 3.77Å; Y54-L66 HydrophobicContact CD2-CD2 3.76Å; Y54-L66 HydrophobicContact CD2-CG 4.46Å; Y54-L66 HydrophobicContact CE2-CD2 4.08Å; Y54-L66 HydrophobicContact CG-CD1 4.01Å; A59-L66 HydrophobicContact CB-CD1 4.35Å; K62-L66 HydrophobicContact CB-CD1 3.56Å; K62-L66 HydrophobicContact CB-CG 3.83Å; K62-L66 WeakPolarHBondContact O-CG 3.36Å; K62-L66 PolarHBondContact O-N 3.03Å; K62-L66 VanDerWaalsContact O-N 3.15Å; R63-L66 PolarHBondContact O-N 3.49Å; R63-L66 VanDerWaalsContact O-O 3.07Å; L66-L68 HydrophobicContact CB-CD2 3.9Å; L66-L68 HydrophobicContact CD1-CD2 4.35Å
67T93.3Very high93.8Very high69 Ų6946.6 Ų46.642%0.42326%0.256SS..EExtended strand (participates in β ladder)trans-90.6115.6158.6-61.70000107.3G37 R38 R40G37-T67 WeakPolarHBondContact CA-O 3.31Å; R38-T67 PolarHBondContact N-O 3.45Å; R38-T67 PolarHBondContact O-N 3.38Å; R40-T67 WeakPolarHBondContact CG-OG1 3.42Å
68L94.7Very high93.8Very high32 Ų3246.1 Ų46.117%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-92.7138.2-179.7-56.7-176.8000110.6I35 A59 R63 L66I35-L68 HydrophobicContact CD1-CD1 4.21Å; A59-L68 HydrophobicContact CB-CD2 4.01Å; R63-L68 HydrophobicContact CB-CD1 3.87Å; R63-L68 HydrophobicContact CG-CD1 3.59Å; R63-L68 HydrophobicContact CG-CG 4.35Å; R63-L68 VanDerWaalsContact CZ-CD1 3.4Å; L66-L68 HydrophobicContact CB-CD2 3.9Å; L66-L68 HydrophobicContact CD1-CD2 4.35Å
69K96.3Very high94Very high108 Ų10845.7 Ų45.747%0.4726%0.256SS..EExtended strand (participates in β ladder)trans-126.6151.3174-68.6-167.9174.5-1720110.4I35 V36I35-K69 WeakPolarHBondContact CA-O 3.33Å; V36-K69 PolarHBondContact N-O 3.36Å; V36-K69 PolarHBondContact O-N 2.88Å
70Y95.7Very high94.1Very high65 Ų6547.9 Ų47.926%0.25526%0.264SS..  trans-115.6109.3179.2-60.3-100000107I35 R63 I72I35-Y70 HydrophobicContact CG2-CD1 3.47Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.47Å; I35-Y70 HydrophobicContact CG2-CE1 3.23Å; I35-Y70 HydrophobicContact CG2-CG 4.24Å; R63-Y70 PolarHBondContact NH2-OH 3.47Å; Y70-I72 PolarHBondContact O-N 3.37Å
71P97.4Very high94.3Very high1 Ų151 Ų511%0.00628%0.283CS..SBendtrans-76.2-8.1-177.128-31.8000113.9S34 V77 T78 N79 D82 M83 I86S34-P71 WeakPolarHBondContact O-CD 3.3Å; P71-V77 CarbonylContact O-C 3.29Å; P71-V77 WeakPolarHBondContact O-CA 3.21Å; P71-T78 PolarHBondContact O-N 3.03Å; P71-T78 PolarHBondContact O-OG1 3.1Å; P71-N79 HydrophobicContact CB-CB 4.11Å; P71-N79 WeakPolarHBondContact CB-O 3.49Å; P71-N79 PolarHBondContact O-N 3.22Å; P71-D82 HydrophobicContact CB-CB 3.81Å; P71-D82 HydrophobicContact CG-CB 4.22Å; P71-M83 HydrophobicContact CB-CB 4.47Å; P71-M83 HydrophobicContact CG-SD 4.35Å; P71-I86 HydrophobicContact CG-CD1 3.33Å; P71-I86 HydrophobicContact CG-CG1 4.4Å
72I96.9Very high94.6Very high3 Ų346.5 Ų46.52%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-118.5120.5177.7-51.6174.9000108.6N13 S15 Y70 I76 V77 M83N13-I72 HydrophobicContact CB-CD1 4.22Å; S15-I72 WeakPolarHBondContact OG-CG2 3.48Å; Y70-I72 PolarHBondContact O-N 3.37Å; I72-I76 CarbonylContact C-O 3.53Å; I72-I76 WeakPolarHBondContact CA-O 3.46Å; I72-V77 HydrophobicContact CG1-CG2 4.17Å; I72-M83 HydrophobicContact CD1-CE 4.1Å; I72-M83 HydrophobicContact CD1-SD 3.8Å; I72-M83 HydrophobicContact CG1-SD 3.84Å
73E93.4Very high94.9Very high95 Ų9544.4 Ų44.444%0.44424%0.242SC..EExtended strand (participates in β ladder)trans-119.6126176.9-66.8175.5-148.900108.9G75 I76 T78E73-G75 PolarHBondContact O-N 2.84Å; E73-G75 VanDerWaalsContact O-N 3.17Å; E73-I76 PolarHBondContact N-O 2.97Å; E73-I76 PolarHBondContact O-N 3.38Å; E73-T78 HydrophobicContact CB-CG2 3.98Å; E73-T78 HydrophobicContact CG-CG2 4.27Å; E73-T78 PolarHBondContact OE1-OG1 3.33Å
74H92.6Very high95.2Very high70 Ų7045.8 Ų45.832%0.32425%0.249SC..THydrogen-bonded Turntrans47.245.3-178.2-47.6102.6000113.8I76 G159 V160 R178H74-I76 VanDerWaalsContact C-N 3.27Å; H74-I76 PolarHBondContact O-N 3.14Å; H74-G159 WeakPolarHBondContact CA-O 3.3Å; H74-G159 PolarHBondContact CD2-O 3.16Å; H74-V160 HydrophobicContact CB-CB 4.27Å; H74-R178 PolarHBondContact O-NH2 3.5Å
75G92.3Very high95.8Very high13 Ų1345.2 Ų45.213%0.13423%0.227CC..THydrogen-bonded Turntrans78.6-3.6-179.200000116.1S15 E73S15-G75 WeakPolarHBondContact OG-CA 3.38Å; S15-G75 PolarHBondContact OG-N 3.37Å; E73-G75 PolarHBondContact O-N 2.84Å; E73-G75 VanDerWaalsContact O-N 3.17Å
76I95.9Very high96.2Very high27 Ų2742.1 Ų42.114%0.13821%0.211CC..EExtended strand (participates in β ladder)trans-110.8131.8-175.7-54.9-55000110.4I72 E73 H74 T78 P113 N116I72-I76 CarbonylContact C-O 3.53Å; I72-I76 WeakPolarHBondContact CA-O 3.46Å; E73-I76 PolarHBondContact N-O 2.97Å; E73-I76 PolarHBondContact O-N 3.38Å; H74-I76 VanDerWaalsContact C-N 3.27Å; H74-I76 PolarHBondContact O-N 3.14Å; I76-T78 PolarHBondContact O-N 3.49Å; I76-P113 HydrophobicContact CG2-CG 4.48Å; I76-N116 WeakPolarHBondContact CG2-ND2 3.48Å
77V97.6Very high96.5Very high16 Ų1642.1 Ų42.110%0.09721%0.211CC..EExtended strand (participates in β ladder)trans-67.6120.1171.8-1780000109.3P71 I72 W80 M83 N116P71-V77 CarbonylContact O-C 3.29Å; P71-V77 WeakPolarHBondContact O-CA 3.21Å; I72-V77 HydrophobicContact CG1-CG2 4.17Å; V77-W80 HydrophobicContact CB-CH2 3.93Å; V77-W80 HydrophobicContact CB-CZ2 3.89Å; V77-W80 HydrophobicContact CB-CZ3 4.28Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 3.82Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 4.07Å; V77-W80 HydrophobicContact CG1-CZ2 3.98Å; V77-W80 HydrophobicContact CG1-CZ3 3.99Å; V77-W80 HydrophobicContact CG2-CH2 4.11Å; V77-W80 HydrophobicContact CG2-CZ3 4.29Å; V77-M83 HydrophobicContact CG1-CB 3.9Å; V77-M83 HydrophobicContact CG1-CG 4.12Å; V77-M83 HydrophobicContact CG2-CG 4.15Å; V77-M83 HydrophobicContact CG2-SD 4.17Å; V77-N116 PolarHBondContact O-ND2 3.29Å; V77-N116 VanDerWaalsContact O-ND2 3.15Å
78T96.9Very high96.7Very high76 Ų7643.2 Ų43.247%0.46621%0.212SC..  trans-107.9-17.3176.758.70000112.5P71 E73 I76P71-T78 PolarHBondContact O-N 3.03Å; P71-T78 PolarHBondContact O-OG1 3.1Å; E73-T78 HydrophobicContact CB-CG2 3.98Å; E73-T78 HydrophobicContact CG-CG2 4.27Å; E73-T78 PolarHBondContact OE1-OG1 3.33Å; I76-T78 PolarHBondContact O-N 3.49Å
79N98Very high96.9Very high49 Ų4942.5 Ų42.526%0.26221%0.207SC..  trans-134.5103.4177.4-170-53.9000111.5P71 D81 D82 M83P71-N79 HydrophobicContact CB-CB 4.11Å; P71-N79 WeakPolarHBondContact CB-O 3.49Å; P71-N79 PolarHBondContact O-N 3.22Å; N79-D81 PolarHBondContact OD1-N 2.88Å; N79-D82 HydrophobicContact CB-CB 4.31Å; N79-D82 WeakPolarHBondContact OD1-CB 3.03Å; N79-D82 PolarHBondContact OD1-N 2.79Å; N79-M83 WeakPolarHBondContact O-CB 3.29Å; N79-M83 PolarHBondContact O-N 3.23Å
80W98.1Very high97Very high45 Ų4537.4 Ų37.417%0.1719%0.185CC..Hα-helixtrans-70.9-38.4-177.7-69.4103.2000113.3V77 D82 M83 E84 W87 N116 K119 M120 I123V77-W80 HydrophobicContact CB-CH2 3.93Å; V77-W80 HydrophobicContact CB-CZ2 3.89Å; V77-W80 HydrophobicContact CB-CZ3 4.28Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 3.82Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 4.07Å; V77-W80 HydrophobicContact CG1-CZ2 3.98Å; V77-W80 HydrophobicContact CG1-CZ3 3.99Å; V77-W80 HydrophobicContact CG2-CH2 4.11Å; V77-W80 HydrophobicContact CG2-CZ3 4.29Å; W80-D82 PolarHBondContact O-N 2.74Å; W80-M83 HydrophobicContact CE3-CB 4.48Å; W80-M83 PolarHBondContact O-N 3.31Å; W80-M83 VanDerWaalsContact O-N 3.11Å; W80-E84 WeakPolarHBondContact O-CG 3.3Å; W80-E84 PolarHBondContact O-N 2.87Å; W80-W87 AromaticContact CZ3-CH2 3.88Å; W80-W87 HydrophobicContact CZ3-CH2 3.88Å; W80-W87 HydrophobicContact CZ3-CZ3 4.32Å; W80-N116 HydrophobicContact CH2-CB 4.21Å; W80-N116 WeakPolarHBondContact CH2-O 3.46Å; W80-N116 HydrophobicContact CZ2-CB 3.77Å; W80-K119 HydrophobicContact CD2-CB 4.16Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.49Å; W80-K119 HydrophobicContact CE3-CB 4.37Å; W80-K119 HydrophobicContact CE3-CG 3.7Å; W80-K119 HydrophobicContact CG-CG 3.82Å; W80-K119 HydrophobicContact CH2-CB 3.95Å; W80-K119 HydrophobicContact CH2-CG 4.19Å; W80-K119 HydrophobicContact CZ2-CB 3.71Å; W80-K119 HydrophobicContact CZ2-CG 3.92Å; W80-K119 HydrophobicContact CZ3-CB 4.27Å; W80-K119 HydrophobicContact CZ3-CG 4.08Å; W80-M120 HydrophobicContact CH2-CG 3.58Å; W80-M120 HydrophobicContact CZ3-CG 3.78Å; W80-I123 HydrophobicContact CD2-CD1 4.31Å; W80-I123 HydrophobicContact CE3-CD1 3.5Å; W80-I123 HydrophobicContact CZ3-CD1 4.1Å
81D97.8Very high97.1Very high110 Ų11034.3 Ų34.359%0.58817%0.173SC*.Hα-helixtrans-60.9-35.4178.5-62.2-12.1000112N79 K85N79-D81 PolarHBondContact OD1-N 2.88Å; D81-K85 WeakPolarHBondContact O-CG 3.07Å; D81-K85 PolarHBondContact O-N 3.44Å; D81-K85 PolarHBondContact O-NZ 2.72Å
82D98.1Very high97.2Very high1 Ų138.6 Ų38.61%0.00519%0.19CC..Hα-helixtrans-81.9-31.5177.2-77.2-4.6000111.6V36 R38 P71 N79 W80 K85 I86V36-D82 HydrophobicContact CB-CB 4.26Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; R38-D82 IonicContact CZ-OD1 3.87Å; R38-D82 VanDerWaalsContact CZ-OD1 3.27Å; R38-D82 IonicContact CZ-OD2 2.89Å; R38-D82 IonicContact NH1-OD1 3.8Å; R38-D82 PolarHBondContact NH1-OD1 3.22Å; R38-D82 VanDerWaalsContact NH1-OD1 3.1Å; R38-D82 IonicContact NH1-OD2 2.79Å; R38-D82 PolarHBondContact NH1-OD2 2.93Å; R38-D82 IonicContact NH2-OD1 3.33Å; R38-D82 PolarHBondContact NH2-OD1 3.26Å; R38-D82 IonicContact NH2-OD2 3.21Å; P71-D82 HydrophobicContact CB-CB 3.81Å; P71-D82 HydrophobicContact CG-CB 4.22Å; N79-D82 HydrophobicContact CB-CB 4.31Å; N79-D82 WeakPolarHBondContact OD1-CB 3.03Å; N79-D82 PolarHBondContact OD1-N 2.79Å; W80-D82 PolarHBondContact O-N 2.74Å; D82-K85 PolarHBondContact O-N 2.96Å; D82-K85 IonicContact OD1-NZ 3.99Å; D82-K85 PolarHBondContact OD1-NZ 2.92Å; D82-I86 PolarHBondContact O-N 3.38Å
83M98.2Very high97.2Very high1 Ų142 Ų421%0.00521%0.208CC..Hα-helixtrans-65-40.9171.3-16366-149.100112.2N13 P71 I72 V77 N79 W80 K85 I86 W87N13-M83 HydrophobicContact CB-CE 4.28Å; N13-M83 VanDerWaalsContact OD1-CE 3.24Å; N13-M83 WeakPolarHBondContact OD1-CE 3.29Å; P71-M83 HydrophobicContact CB-CB 4.47Å; P71-M83 HydrophobicContact CG-SD 4.35Å; I72-M83 HydrophobicContact CD1-CE 4.1Å; I72-M83 HydrophobicContact CD1-SD 3.8Å; I72-M83 HydrophobicContact CG1-SD 3.84Å; V77-M83 HydrophobicContact CG1-CB 3.9Å; V77-M83 HydrophobicContact CG1-CG 4.12Å; V77-M83 HydrophobicContact CG2-CG 4.15Å; V77-M83 HydrophobicContact CG2-SD 4.17Å; N79-M83 WeakPolarHBondContact O-CB 3.29Å; N79-M83 PolarHBondContact O-N 3.23Å; W80-M83 HydrophobicContact CE3-CB 4.48Å; W80-M83 PolarHBondContact O-N 3.31Å; W80-M83 VanDerWaalsContact O-N 3.11Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.35Å; M83-I86 HydrophobicContact CE-CB 4.47Å; M83-I86 HydrophobicContact CE-CG2 4.07Å; M83-I86 WeakPolarHBondContact O-CB 3.44Å; M83-I86 PolarHBondContact O-N 2.61Å; M83-I86 VanDerWaalsContact O-N 3.1Å; M83-I86 HydrophobicContact SD-CD1 4.49Å; M83-W87 HydrophobicContact CE-CD2 4.19Å; M83-W87 VanDerWaalsContact CE-CE2 3.46Å; M83-W87 HydrophobicContact CE-CG 4.39Å; M83-W87 HydrophobicContact CE-CZ2 3.88Å; M83-W87 HydrophobicContact CG-CD2 4.15Å; M83-W87 HydrophobicContact CG-CE3 4.25Å; M83-W87 HydrophobicContact CG-CH2 4.03Å; M83-W87 HydrophobicContact CG-CZ2 3.85Å; M83-W87 HydrophobicContact CG-CZ3 4.2Å; M83-W87 PolarHBondContact O-N 3.09Å
84E98.1Very high97.4Very high47 Ų4740.8 Ų40.822%0.2220%0.202CC..Hα-helixtrans-59.8-39.5174-76.4-174-133.100111.8W80 W87 H88 I123W80-E84 WeakPolarHBondContact O-CG 3.3Å; W80-E84 PolarHBondContact O-N 2.87Å; E84-W87 PolarHBondContact O-N 3.35Å; E84-H88 WeakPolarHBondContact O-CB 3.35Å; E84-H88 PolarHBondContact O-N 2.81Å; E84-I123 HydrophobicContact CG-CD1 3.76Å; E84-I123 HydrophobicContact CG-CG1 4.17Å; E84-I123 HydrophobicContact CG-CG2 3.74Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.11Å
85K98.1Very high97.6Very high57 Ų5738.2 Ų38.225%0.24819%0.191CC..Hα-helixtrans-65.1-38.7173.5-68.4177.8-163.877.80112.3V36 S53 V55 D81 D82 M83 H89V36-K85 HydrophobicContact CG1-CD 4.08Å; V36-K85 HydrophobicContact CG2-CB 4.44Å; S53-K85 WeakPolarHBondContact OG-CD 3.38Å; V55-K85 HydrophobicContact CG2-CB 4.19Å; D81-K85 WeakPolarHBondContact O-CG 3.07Å; D81-K85 PolarHBondContact O-N 3.44Å; D81-K85 PolarHBondContact O-NZ 2.72Å; D82-K85 PolarHBondContact O-N 2.96Å; D82-K85 IonicContact OD1-NZ 3.99Å; D82-K85 PolarHBondContact OD1-NZ 2.92Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.35Å; K85-H89 WeakPolarHBondContact O-CB 3.47Å; K85-H89 PolarHBondContact O-N 2.75Å
86I98.5Very high97.9Very high0 Ų047.6 Ų47.60%022%0.222CC..Hα-helixtrans-61.3-49.9174.4-73179.6000110.1F32 V36 V55 P71 D82 M83 H88 H89 T90F32-I86 HydrophobicContact CE2-CG2 4.12Å; F32-I86 HydrophobicContact CZ-CG2 4.17Å; V36-I86 HydrophobicContact CG2-CD1 4.45Å; V36-I86 HydrophobicContact CG2-CG1 4.03Å; V55-I86 HydrophobicContact CG1-CG1 3.94Å; P71-I86 HydrophobicContact CG-CD1 3.33Å; P71-I86 HydrophobicContact CG-CG1 4.4Å; D82-I86 PolarHBondContact O-N 3.38Å; M83-I86 HydrophobicContact CE-CB 4.47Å; M83-I86 HydrophobicContact CE-CG2 4.07Å; M83-I86 WeakPolarHBondContact O-CB 3.44Å; M83-I86 PolarHBondContact O-N 2.61Å; M83-I86 VanDerWaalsContact O-N 3.1Å; M83-I86 HydrophobicContact SD-CD1 4.49Å; I86-H88 PolarHBondContact O-N 3.1Å; I86-H89 CarbonylContact O-C 3.54Å; I86-H89 WeakPolarHBondContact O-CB 3.3Å; I86-H89 PolarHBondContact O-N 3.02Å; I86-H89 VanDerWaalsContact O-N 3.15Å; I86-T90 PolarHBondContact O-N 2.97Å; I86-T90 PolarHBondContact O-OG1 3.17Å
87W98.6Very high98Very high0 Ų047.4 Ų47.40%022%0.222CC..Hα-helixtrans-64.9-40.2179.1-68.9-34.1000113.2N13 W80 M83 E84 H89 T90 F91 L106 M120 I123 M124 F128N13-W87 PolarHBondContact OD1-NE1 3.08Å; W80-W87 AromaticContact CZ3-CH2 3.88Å; W80-W87 HydrophobicContact CZ3-CH2 3.88Å; W80-W87 HydrophobicContact CZ3-CZ3 4.32Å; M83-W87 HydrophobicContact CE-CD2 4.19Å; M83-W87 VanDerWaalsContact CE-CE2 3.46Å; M83-W87 HydrophobicContact CE-CG 4.39Å; M83-W87 HydrophobicContact CE-CZ2 3.88Å; M83-W87 HydrophobicContact CG-CD2 4.15Å; M83-W87 HydrophobicContact CG-CE3 4.25Å; M83-W87 HydrophobicContact CG-CH2 4.03Å; M83-W87 HydrophobicContact CG-CZ2 3.85Å; M83-W87 HydrophobicContact CG-CZ3 4.2Å; M83-W87 PolarHBondContact O-N 3.09Å; E84-W87 PolarHBondContact O-N 3.35Å; W87-H89 VanDerWaalsContact C-N 3.28Å; W87-H89 PolarHBondContact O-N 3.48Å; W87-T90 WeakPolarHBondContact O-CB 3.21Å; W87-T90 PolarHBondContact O-N 3.49Å; W87-T90 VanDerWaalsContact O-N 3.16Å; W87-F91 HydrophobicContact CB-CD2 4.48Å; W87-F91 HydrophobicContact CB-CE2 4.02Å; W87-F91 WeakPolarHBondContact O-CD2 3.23Å; W87-F91 WeakPolarHBondContact O-CG 3.28Å; W87-F91 PolarHBondContact O-N 3.35Å; W87-L106 HydrophobicContact CZ2-CD1 4.4Å; W87-L106 HydrophobicContact CZ2-CD2 4Å; W87-M120 HydrophobicContact CH2-CB 4.24Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.41Å; W87-I123 HydrophobicContact CE3-CG2 3.79Å; W87-I123 HydrophobicContact CZ3-CB 4.03Å; W87-I123 HydrophobicContact CZ3-CD1 3.87Å; W87-I123 HydrophobicContact CZ3-CG2 3.64Å; W87-M124 HydrophobicContact CB-CE 4.29Å; W87-M124 HydrophobicContact CD2-CE 3.35Å; W87-M124 HydrophobicContact CE3-CE 3.36Å; W87-M124 HydrophobicContact CG-CE 3.81Å; W87-M124 HydrophobicContact CH2-CE 4.01Å; W87-M124 HydrophobicContact CZ2-CE 4.06Å; W87-M124 HydrophobicContact CZ3-CE 3.69Å; W87-F128 HydrophobicContact CB-CE2 3.73Å; W87-F128 HydrophobicContact CB-CZ 3.71Å; W87-F128 HydrophobicContact CE3-CE2 4.07Å
88H98.2Very high98Very high92 Ų9247.8 Ų47.843%0.42623%0.227SC..Hα-helixtrans-57.6-45.1172.1-176.9-64.8000110.9E84 I86 F91 Y92 F128E84-H88 WeakPolarHBondContact O-CB 3.35Å; E84-H88 PolarHBondContact O-N 2.81Å; I86-H88 PolarHBondContact O-N 3.1Å; H88-F91 PolarHBondContact O-N 3.47Å; H88-Y92 HydrophobicContact CB-CD2 4.45Å; H88-Y92 AromaticContact CD2-CD2 3.64Å; H88-Y92 AromaticContact CD2-CE2 3.71Å; H88-Y92 AromaticContact CE1-CD2 3.47Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.47Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.29Å; H88-Y92 AromaticContact CG-CD2 3.67Å; H88-Y92 AromaticContact ND1-CD2 3.58Å; H88-Y92 AromaticContact NE2-CD2 3.54Å; H88-Y92 AromaticContact NE2-CE2 3.79Å; H88-Y92 WeakPolarHBondContact O-CB 3.22Å; H88-Y92 VanDerWaalsContact O-CD2 3.27Å; H88-Y92 WeakPolarHBondContact O-CD2 3.35Å; H88-Y92 PolarHBondContact O-N 3.45Å; H88-F128 HydrophobicContact CB-CE1 4.1Å; H88-F128 HydrophobicContact CB-CZ 4.19Å
89H98.2Very high98Very high17 Ų1744.1 Ų44.18%0.07921%0.205CC..Hα-helixtrans-62.1-44175.2-17769.8000112F32 V55 K85 I86 W87 F91 N93 E94F32-H89 AromaticContact CE2-CD2 3.75Å; F32-H89 AromaticContact CZ-CD2 3.99Å; V55-H89 HydrophobicContact CB-CB 3.9Å; V55-H89 HydrophobicContact CG1-CB 3.68Å; V55-H89 HydrophobicContact CG2-CB 4.24Å; K85-H89 WeakPolarHBondContact O-CB 3.47Å; K85-H89 PolarHBondContact O-N 2.75Å; I86-H89 CarbonylContact O-C 3.54Å; I86-H89 WeakPolarHBondContact O-CB 3.3Å; I86-H89 PolarHBondContact O-N 3.02Å; I86-H89 VanDerWaalsContact O-N 3.15Å; W87-H89 VanDerWaalsContact C-N 3.28Å; W87-H89 PolarHBondContact O-N 3.48Å; H89-F91 PolarHBondContact O-N 3.22Å; H89-N93 WeakPolarHBondContact ND1-CB 3.31Å; H89-N93 PolarHBondContact ND1-OD1 3.04Å; H89-N93 WeakPolarHBondContact O-CA 3.48Å; H89-N93 VanDerWaalsContact O-CB 3.3Å; H89-N93 WeakPolarHBondContact O-CB 2.97Å; H89-N93 PolarHBondContact O-N 2.94Å; H89-E94 IonicContact CE1-OE1 3.64Å; H89-E94 IonicContact NE2-OE1 3.71Å; H89-E94 PolarHBondContact NE2-OE1 3.33Å; H89-E94 PolarHBondContact O-N 2.91Å; H89-E94 VanDerWaalsContact O-N 3.07Å
90T98.6Very high98Very high0 Ų046.2 Ų46.20%021%0.213CC..Iπ-helixtrans-54-52.3175.2-55.60000111.6V11 A20 F32 I86 W87 E94 L95V11-T90 HydrophobicContact CG1-CG2 4.38Å; V11-T90 HydrophobicContact CG2-CG2 4.2Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.46Å; I86-T90 PolarHBondContact O-N 2.97Å; I86-T90 PolarHBondContact O-OG1 3.17Å; W87-T90 WeakPolarHBondContact O-CB 3.21Å; W87-T90 PolarHBondContact O-N 3.49Å; W87-T90 VanDerWaalsContact O-N 3.16Å; T90-E94 WeakPolarHBondContact O-CB 3.38Å; T90-L95 HydrophobicContact CG2-CD1 4.23Å; T90-L95 HydrophobicContact CG2-CG 4.48Å; T90-L95 WeakPolarHBondContact O-CB 3.4Å; T90-L95 WeakPolarHBondContact O-CG 3.43Å; T90-L95 PolarHBondContact O-N 2.82Å
91F98.6Very high97.9Very high0 Ų049.8 Ų49.80%023%0.231CC..Iπ-helixtrans-73.1-50.6-174.7-58.5-46.5000112.1L9 V11 W87 H88 H89 R96 V97 P99 V104 M124 F128L9-F91 HydrophobicContact CD1-CD1 3.8Å; L9-F91 HydrophobicContact CD1-CE1 3.89Å; V11-F91 HydrophobicContact CG2-CE1 4.01Å; W87-F91 HydrophobicContact CB-CD2 4.48Å; W87-F91 HydrophobicContact CB-CE2 4.02Å; W87-F91 WeakPolarHBondContact O-CD2 3.23Å; W87-F91 WeakPolarHBondContact O-CG 3.28Å; W87-F91 PolarHBondContact O-N 3.35Å; H88-F91 PolarHBondContact O-N 3.47Å; H89-F91 PolarHBondContact O-N 3.22Å; F91-R96 WeakPolarHBondContact O-CA 3.32Å; F91-R96 PolarHBondContact O-N 2.99Å; F91-V97 PolarHBondContact O-N 3.32Å; F91-P99 HydrophobicContact CB-CB 4.4Å; F91-P99 HydrophobicContact CB-CG 4.27Å; F91-P99 HydrophobicContact CD1-CB 4.3Å; F91-P99 HydrophobicContact CD2-CB 3.8Å; F91-P99 HydrophobicContact CD2-CG 3.92Å; F91-P99 HydrophobicContact CE2-CB 4.08Å; F91-P99 HydrophobicContact CG-CB 3.92Å; F91-P99 HydrophobicContact CG-CG 4.18Å; F91-P99 HydrophobicContact CZ-CB 4.46Å; F91-V104 HydrophobicContact CE1-CG1 4.33Å; F91-V104 HydrophobicContact CE1-CG2 4.31Å; F91-V104 HydrophobicContact CZ-CG1 4.15Å; F91-V104 HydrophobicContact CZ-CG2 4.28Å; F91-M124 HydrophobicContact CE2-CE 4.28Å; F91-M124 HydrophobicContact CE2-SD 4.33Å; F91-M124 HydrophobicContact CZ-CE 4.28Å; F91-M124 HydrophobicContact CZ-SD 4.13Å; F91-F128 AromaticContact CD2-CD1 3.79Å; F91-F128 HydrophobicContact CD2-CD1 3.79Å; F91-F128 AromaticContact CD2-CE1 3.87Å; F91-F128 HydrophobicContact CD2-CE1 3.87Å; F91-F128 HydrophobicContact CD2-CG 4.21Å; F91-F128 HydrophobicContact CD2-CZ 4.36Å; F91-F128 AromaticContact CE2-CD1 3.98Å; F91-F128 HydrophobicContact CE2-CD1 3.98Å; F91-F128 HydrophobicContact CE2-CD2 4.08Å; F91-F128 HydrophobicContact CE2-CE1 4.19Å; F91-F128 HydrophobicContact CE2-CE2 4.29Å; F91-F128 AromaticContact CE2-CG 3.92Å; F91-F128 HydrophobicContact CE2-CG 3.92Å; F91-F128 HydrophobicContact CE2-CZ 4.34Å
92Y98Very high97.9Very high92 Ų9245.5 Ų45.536%0.36121%0.208SC..Iπ-helixtrans-91.6-28.6-167.8-63.1-72.8000114.5H88 P99 F128H88-Y92 HydrophobicContact CB-CD2 4.45Å; H88-Y92 AromaticContact CD2-CD2 3.64Å; H88-Y92 AromaticContact CD2-CE2 3.71Å; H88-Y92 AromaticContact CE1-CD2 3.47Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.47Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.29Å; H88-Y92 AromaticContact CG-CD2 3.67Å; H88-Y92 AromaticContact ND1-CD2 3.58Å; H88-Y92 AromaticContact NE2-CD2 3.54Å; H88-Y92 AromaticContact NE2-CE2 3.79Å; H88-Y92 WeakPolarHBondContact O-CB 3.22Å; H88-Y92 VanDerWaalsContact O-CD2 3.27Å; H88-Y92 WeakPolarHBondContact O-CD2 3.35Å; H88-Y92 PolarHBondContact O-N 3.45Å; Y92-P99 HydrophobicContact CE2-CG 4.4Å; Y92-P99 WeakPolarHBondContact OH-CD 3.48Å; Y92-F128 HydrophobicContact CE2-CE1 4.36Å
93N97Very high97.9Very high74 Ų7446.5 Ų46.540%0.39621%0.214SC..Iπ-helixtrans-99.5-48.3-177.8-64.4100000112.3H89 R96H89-N93 WeakPolarHBondContact ND1-CB 3.31Å; H89-N93 PolarHBondContact ND1-OD1 3.04Å; H89-N93 WeakPolarHBondContact O-CA 3.48Å; H89-N93 VanDerWaalsContact O-CB 3.3Å; H89-N93 WeakPolarHBondContact O-CB 2.97Å; H89-N93 PolarHBondContact O-N 2.94Å; N93-R96 WeakPolarHBondContact O-CG 3.49Å
94E98.1Very high97.9Very high69 Ų6946.4 Ų46.432%0.32221%0.214SC..Iπ-helixtrans-81.9-57.1-174.1-64.5-59.8125.400111.4A30 F32 H89 T90A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.24Å; F32-E94 HydrophobicContact CD1-CG 3.77Å; F32-E94 HydrophobicContact CE1-CG 3.82Å; H89-E94 IonicContact CE1-OE1 3.64Å; H89-E94 IonicContact NE2-OE1 3.71Å; H89-E94 PolarHBondContact NE2-OE1 3.33Å; H89-E94 PolarHBondContact O-N 2.91Å; H89-E94 VanDerWaalsContact O-N 3.07Å; T90-E94 WeakPolarHBondContact O-CB 3.38Å
95L97.7Very high97.9Very high16 Ų1644.2 Ų44.28%0.08420%0.203CC..Iπ-helixtrans-83.4-25.7179.5-61.9-177.6000113.4L9 A20 F22 R29 T90 V97L9-L95 HydrophobicContact CD1-CD1 4.23Å; L9-L95 HydrophobicContact CD2-CD1 4.11Å; A20-L95 HydrophobicContact CB-CD1 4Å; A20-L95 HydrophobicContact CB-CD2 4.29Å; A20-L95 HydrophobicContact CB-CG 4.27Å; F22-L95 HydrophobicContact CE2-CD2 4.46Å; R29-L95 HydrophobicContact CB-CD2 3.97Å; T90-L95 HydrophobicContact CG2-CD1 4.23Å; T90-L95 HydrophobicContact CG2-CG 4.48Å; T90-L95 WeakPolarHBondContact O-CB 3.4Å; T90-L95 WeakPolarHBondContact O-CG 3.43Å; T90-L95 PolarHBondContact O-N 2.82Å; L95-V97 HydrophobicContact CB-CG2 3.87Å
96R97.8Very high98Very high210 Ų21041.5 Ų41.579%0.79219%0.192SC*.  trans56.247.4-178.8-53.6-179.4-175.2179.52.1113F91 N93F91-R96 WeakPolarHBondContact O-CA 3.32Å; F91-R96 PolarHBondContact O-N 2.99Å; N93-R96 WeakPolarHBondContact O-CG 3.49Å
97V97.5Very high97.9Very high23 Ų2341.6 Ų41.614%0.13919%0.192CC..  trans-125.3159.7178.6-65.70000111.6L9 F22 F91 L95L9-V97 HydrophobicContact CD1-CG2 3.71Å; L9-V97 HydrophobicContact CD2-CG2 4.4Å; F22-V97 HydrophobicContact CE1-CG1 4.16Å; F22-V97 HydrophobicContact CZ-CG1 3.58Å; F91-V97 PolarHBondContact O-N 3.32Å; L95-V97 HydrophobicContact CB-CG2 3.87Å
98A97.4Very high97.8Very high24 Ų2442.1 Ų42.120%0.19820%0.195CC..  trans-88.5111169.900000108.9E100 E101 H102A98-E100 HydrophobicContact CB-CG 4.27Å; A98-E100 PolarHBondContact O-N 2.97Å; A98-E100 VanDerWaalsContact O-N 3.16Å; A98-E101 HydrophobicContact CB-CG 4.14Å; A98-E101 PolarHBondContact O-N 3.35Å; A98-H102 PolarHBondContact O-CD2 3.43Å
99P97.3Very high97.6Very high0 Ų037.8 Ų37.80%018%0.175CC..G310 helixtrans-61.2-23.6-175.725.2-33.8000113.9F91 Y92 E101 H102 F128 T130F91-P99 HydrophobicContact CB-CB 4.4Å; F91-P99 HydrophobicContact CB-CG 4.27Å; F91-P99 HydrophobicContact CD1-CB 4.3Å; F91-P99 HydrophobicContact CD2-CB 3.8Å; F91-P99 HydrophobicContact CD2-CG 3.92Å; F91-P99 HydrophobicContact CE2-CB 4.08Å; F91-P99 HydrophobicContact CG-CB 3.92Å; F91-P99 HydrophobicContact CG-CG 4.18Å; F91-P99 HydrophobicContact CZ-CB 4.46Å; Y92-P99 HydrophobicContact CE2-CG 4.4Å; Y92-P99 WeakPolarHBondContact OH-CD 3.48Å; P99-E101 PolarHBondContact O-N 3.35Å; P99-H102 PolarHBondContact O-N 3.34Å; P99-H102 VanDerWaalsContact O-O 3.1Å; P99-F128 HydrophobicContact CB-CB 4.17Å; P99-F128 HydrophobicContact CG-CB 4.01Å; P99-F128 HydrophobicContact CG-CD1 3.89Å; P99-F128 HydrophobicContact CG-CG 4.37Å; P99-T130 HydrophobicContact CB-CG2 4.22Å
100E97.7Very high97.4Very high93 Ų9337.1 Ų37.144%0.43517%0.172SC..G310 helixtrans-65.1-13.5173.962.3-94-140.300114.2A98 N129 P131A98-E100 HydrophobicContact CB-CG 4.27Å; A98-E100 PolarHBondContact O-N 2.97Å; A98-E100 VanDerWaalsContact O-N 3.16Å; E100-N129 WeakPolarHBondContact CA-O 3.37Å; E100-N129 HydrophobicContact CB-CB 4.14Å; E100-P131 WeakPolarHBondContact O-CD 3.3Å
101E97.1Very high97.1Very high119 Ų11942.1 Ų42.156%0.55620%0.198SC*.G310 helixtrans-93.1-14.8176.5-62.1-178.9173.900112.3I6 A98 P99I6-E101 VanDerWaalsContact CG2-O 3.23Å; I6-E101 WeakPolarHBondContact CG2-O 3.3Å; A98-E101 HydrophobicContact CB-CG 4.14Å; A98-E101 PolarHBondContact O-N 3.35Å; P99-E101 PolarHBondContact O-N 3.35Å
102H97.5Very high96.9Very high20 Ų2043 Ų439%0.09320%0.203CC..SBendtrans-126.6134.7-168.2-62.9-91.6000113.9I6 A7 L9 F22 A98 P99 P131I6-H102 VanDerWaalsContact CG2-ND1 3.26Å; I6-H102 WeakPolarHBondContact CG2-ND1 3.17Å; A7-H102 PolarHBondContact O-ND1 2.91Å; L9-H102 HydrophobicContact CD1-CB 3.94Å; L9-H102 HydrophobicContact CD2-CB 4.44Å; L9-H102 HydrophobicContact CG-CB 3.73Å; F22-H102 AromaticContact CE1-CE1 3.83Å; A98-H102 PolarHBondContact O-CD2 3.43Å; P99-H102 PolarHBondContact O-N 3.34Å; P99-H102 VanDerWaalsContact O-O 3.1Å; H102-P131 VanDerWaalsContact O-CD 3.32Å; H102-P131 WeakPolarHBondContact O-CD 3.29Å
103P97.7Very high96.8Very high22 Ų2241.4 Ų41.414%0.14320%0.204CC..  trans-58.3143.5163.1-21.933.4000111.2A8 L9 A132 W357A8-P103 CarbonylContact C-O 3.59Å; A8-P103 VanDerWaalsContact CA-O 3.28Å; A8-P103 WeakPolarHBondContact CA-O 3.32Å; A8-P103 HydrophobicContact CB-CB 4.01Å; L9-P103 PolarHBondContact N-O 3.16Å; P103-A132 CarbonylContact C-O 3.54Å; P103-A132 VanDerWaalsContact CA-O 3.25Å; P103-A132 WeakPolarHBondContact CA-O 3.35Å; P103-A132 HydrophobicContact CB-CB 4.12Å; P103-A132 HydrophobicContact CG-CB 4.47Å; P103-W357 HydrophobicContact CB-CD2 4.35Å; P103-W357 HydrophobicContact CB-CE3 4.37Å; P103-W357 HydrophobicContact CB-CH2 4.04Å; P103-W357 HydrophobicContact CB-CZ2 4Å; P103-W357 HydrophobicContact CB-CZ3 4.23Å
104V98.6Very high96.8Very high0 Ų044.7 Ų44.70%022%0.215CC..EExtended strand (participates in β ladder)trans-124.1118.1-177.9-175.30000112.2L9 V11 F91 L106 M124 T130 A132 M133 Y134L9-V104 HydrophobicContact CB-CG2 4.35Å; L9-V104 HydrophobicContact CD1-CG2 4.42Å; L9-V104 WeakPolarHBondContact O-CA 3.22Å; V11-V104 HydrophobicContact CG2-CG1 4.22Å; F91-V104 HydrophobicContact CE1-CG1 4.33Å; F91-V104 HydrophobicContact CE1-CG2 4.31Å; F91-V104 HydrophobicContact CZ-CG1 4.15Å; F91-V104 HydrophobicContact CZ-CG2 4.28Å; V104-L106 HydrophobicContact CG1-CD2 4.43Å; V104-L106 HydrophobicContact CG1-CG 4.2Å; V104-M124 HydrophobicContact CG1-SD 4.24Å; V104-T130 HydrophobicContact CB-CG2 4.28Å; V104-T130 HydrophobicContact CG2-CG2 3.53Å; V104-A132 PolarHBondContact N-O 3.23Å; V104-M133 CarbonylContact O-C 3.55Å; V104-M133 WeakPolarHBondContact O-CA 3.36Å; V104-M133 VanDerWaalsContact O-CB 3.27Å; V104-M133 WeakPolarHBondContact O-CB 3.25Å; V104-Y134 PolarHBondContact O-N 2.92Å
105L98.5Very high96.8Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-90.9118167-170.7152.7000109.5L9 V10 V11 T107 Y134 A136 L141 L347 A348 F353 W357L9-L105 PolarHBondContact O-N 2.87Å; V10-L105 HydrophobicContact CG1-CD2 4.19Å; V10-L105 HydrophobicContact CG2-CB 4.42Å; V11-L105 PolarHBondContact N-O 3.49Å; L105-T107 HydrophobicContact CD2-CG2 4.29Å; L105-Y134 WeakPolarHBondContact CA-O 3.18Å; L105-Y134 HydrophobicContact CD1-CD1 4.43Å; L105-A136 HydrophobicContact CD2-CB 4.29Å; L105-L141 HydrophobicContact CD2-CD1 4.07Å; L105-L347 HydrophobicContact CD1-CD2 4.27Å; L105-A348 HydrophobicContact CD1-CB 4.16Å; L105-F353 HydrophobicContact CD1-CE1 4.23Å; L105-F353 HydrophobicContact CD1-CZ 4.06Å; L105-W357 HydrophobicContact CB-CH2 3.88Å; L105-W357 HydrophobicContact CB-CZ3 4.17Å
106L98.5Very high96.8Very high0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-101.4147.5172.5-69.7162.9000110.2V11 N13 W87 V104 M120 M124 M133 Y134 V135 A136V11-L106 HydrophobicContact CB-CD2 3.96Å; V11-L106 HydrophobicContact CG1-CD2 4.16Å; N13-L106 WeakPolarHBondContact ND2-CD2 3.36Å; W87-L106 HydrophobicContact CZ2-CD1 4.4Å; W87-L106 HydrophobicContact CZ2-CD2 4Å; V104-L106 HydrophobicContact CG1-CD2 4.43Å; V104-L106 HydrophobicContact CG1-CG 4.2Å; L106-M120 HydrophobicContact CD1-CB 4.28Å; L106-M124 HydrophobicContact CD1-CE 3.93Å; L106-M124 HydrophobicContact CD1-CG 3.56Å; L106-M124 HydrophobicContact CD1-SD 4.01Å; L106-M124 HydrophobicContact CD2-CE 4.1Å; L106-M133 HydrophobicContact CD1-CE 4.15Å; L106-Y134 PolarHBondContact N-O 3.24Å; L106-V135 CarbonylContact O-C 3.54Å; L106-V135 VanDerWaalsContact O-CA 3.32Å; L106-V135 WeakPolarHBondContact O-CA 3.45Å; L106-A136 PolarHBondContact O-N 3.02Å
107T97.7Very high96.8Very high2 Ų236 Ų361%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-101.1150.7173.174.50000111.9V11 D12 N13 L105 A136 Q138 L141 V340V11-T107 PolarHBondContact O-N 3.12Å; V11-T107 VanDerWaalsContact O-N 3.13Å; D12-T107 VanDerWaalsContact CA-OG1 3.29Å; D12-T107 WeakPolarHBondContact CA-OG1 3.5Å; D12-T107 HydrophobicContact CB-CG2 4.1Å; D12-T107 PolarHBondContact OD1-OG1 2.89Å; D12-T107 VanDerWaalsContact OD1-OG1 3.12Å; N13-T107 PolarHBondContact N-OG1 3.14Å; N13-T107 PolarHBondContact ND2-O 3Å; L105-T107 HydrophobicContact CD2-CG2 4.29Å; T107-A136 CarbonylContact C-O 3.54Å; T107-A136 VanDerWaalsContact CA-O 3.27Å; T107-A136 WeakPolarHBondContact CA-O 3.16Å; T107-Q138 PolarHBondContact OG1-NE2 3.21Å; T107-L141 HydrophobicContact CG2-CD1 3.64Å; T107-V340 HydrophobicContact CG2-CG1 3.75Å
108E96.3Very high96.8Very high11 Ų1138.1 Ų38.15%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-133.3150172.569.1-177174.300112.5N112 R117 M120 V135 A136 I137 Q138E108-N112 HydrophobicContact CB-CB 4.21Å; E108-N112 HydrophobicContact CG-CB 4.36Å; E108-N112 WeakPolarHBondContact OE2-CB 3.33Å; E108-N112 PolarHBondContact OE2-ND2 3.46Å; E108-R117 IonicContact OE1-CZ 2.75Å; E108-R117 IonicContact OE1-NE 2.9Å; E108-R117 PolarHBondContact OE1-NE 3.44Å; E108-R117 IonicContact OE1-NH2 3.51Å; E108-R117 PolarHBondContact OE1-NH2 3.21Å; E108-R117 WeakPolarHBondContact OE2-CG 3.48Å; E108-R117 IonicContact OE2-NE 3.25Å; E108-R117 PolarHBondContact OE2-NE 3.42Å; E108-M120 HydrophobicContact CB-CE 4.31Å; E108-V135 HydrophobicContact CB-CG1 3.91Å; E108-V135 HydrophobicContact CG-CG1 3.66Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.28Å; E108-A136 PolarHBondContact N-O 3.23Å; E108-I137 HydrophobicContact CG-CG1 4.43Å; E108-I137 WeakPolarHBondContact O-CA 3.18Å; E108-Q138 WeakPolarHBondContact O-CG 3.47Å; E108-Q138 PolarHBondContact O-N 2.79Å
109A94.5Very high96.8Very high2 Ų239.9 Ų39.92%0.01721%0.205CC..  trans-64.6150.9166.800000110.1N112A109-N112 WeakPolarHBondContact O-CB 3.29Å; A109-N112 PolarHBondContact O-N 3.29Å
110P93.9Very high96.9Very high3 Ų340.1 Ų40.12%0.01921%0.206CC..THydrogen-bonded Turntrans-59.8150.5173.428.6-36.5000110.9N112 I137 H162 V164 I176P110-N112 PolarHBondContact O-N 2.86Å; P110-I137 HydrophobicContact CB-CG2 4.18Å; P110-H162 HydrophobicContact CG-CB 3.84Å; P110-H162 VanDerWaalsContact CG-CD2 3.47Å; P110-H162 WeakPolarHBondContact CG-CD2 3.39Å; P110-H162 VanDerWaalsContact CG-CG 3.49Å; P110-V164 HydrophobicContact CB-CG2 4.1Å; P110-V164 HydrophobicContact CG-CG2 3.82Å; P110-I176 HydrophobicContact CB-CD1 3.92Å; P110-I176 HydrophobicContact CB-CG2 4.02Å; P110-I176 HydrophobicContact CG-CG2 4.22Å
111L91.3Very high96.9Very high105 Ų10535.7 Ų35.755%0.5519%0.185SC..THydrogen-bonded Turntrans61.826.1-178.6-48.1175.1000114.4I176L111-I176 HydrophobicContact CD1-CG2 4.08Å; L111-I176 HydrophobicContact CD2-CD1 4.39Å; L111-I176 HydrophobicContact CG-CG2 4.24Å
112N94.8Very high96.9Very high19 Ų1932.8 Ų32.810%0.10217%0.172CC..  trans-57.2131.7173.8-167.926000111.2E108 A109 P110 K114 M120E108-N112 HydrophobicContact CB-CB 4.21Å; E108-N112 HydrophobicContact CG-CB 4.36Å; E108-N112 WeakPolarHBondContact OE2-CB 3.33Å; E108-N112 PolarHBondContact OE2-ND2 3.46Å; A109-N112 WeakPolarHBondContact O-CB 3.29Å; A109-N112 PolarHBondContact O-N 3.29Å; P110-N112 PolarHBondContact O-N 2.86Å; N112-K114 PolarHBondContact O-N 3.28Å; N112-M120 WeakPolarHBondContact ND2-CE 3.32Å
113P96.2Very high97Very high57 Ų5731.9 Ų31.937%0.3717%0.168SC..  trans-54.3138.1179-2935.9000112.5I76 A115 N116 R117I76-P113 HydrophobicContact CG2-CG 4.48Å; P113-A115 PolarHBondContact O-N 3.12Å; P113-N116 HydrophobicContact CB-CB 4.39Å; P113-N116 WeakPolarHBondContact O-CA 3.11Å; P113-N116 WeakPolarHBondContact O-CB 3.01Å; P113-N116 PolarHBondContact O-N 2.8Å; P113-R117 PolarHBondContact O-N 3.46Å
114K96.4Very high97Very high144 Ų14430.9 Ų30.963%0.62616%0.161SC*.Hα-helixtrans-54.6-41-179.8-74.1-170.8175.2-1760113N112 N116 R117 E118 H372N112-K114 PolarHBondContact O-N 3.28Å; K114-N116 PolarHBondContact O-N 2.85Å; K114-R117 WeakPolarHBondContact O-CB 3.39Å; K114-R117 PolarHBondContact O-N 3.28Å; K114-R117 VanDerWaalsContact O-N 3.13Å; K114-E118 PolarHBondContact O-N 3.11Å; K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 3.02Å; K114-H372 PolarHBondContact O-CE1 2.9Å
115A97.6Very high97Very high64 Ų6430.9 Ų30.953%0.52916%0.161SC..Hα-helixtrans-59.7-34.1176.300000112.4P113 E118 K119P113-A115 PolarHBondContact O-N 3.12Å; A115-E118 PolarHBondContact O-N 2.81Å; A115-K119 WeakPolarHBondContact O-CB 3.47Å; A115-K119 PolarHBondContact O-N 3Å
116N97.8Very high97Very high22 Ų2235.6 Ų35.612%0.11818%0.183CC..Hα-helixtrans-70.1-40.6176.3-75.327000111.2I76 V77 W80 P113 K114 E118 K119 M120I76-N116 WeakPolarHBondContact CG2-ND2 3.48Å; V77-N116 PolarHBondContact O-ND2 3.29Å; V77-N116 VanDerWaalsContact O-ND2 3.15Å; W80-N116 HydrophobicContact CH2-CB 4.21Å; W80-N116 WeakPolarHBondContact CH2-O 3.46Å; W80-N116 HydrophobicContact CZ2-CB 3.77Å; P113-N116 HydrophobicContact CB-CB 4.39Å; P113-N116 WeakPolarHBondContact O-CA 3.11Å; P113-N116 WeakPolarHBondContact O-CB 3.01Å; P113-N116 PolarHBondContact O-N 2.8Å; K114-N116 PolarHBondContact O-N 2.85Å; N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 2.83Å; N116-K119 PolarHBondContact O-N 3.17Å; N116-M120 WeakPolarHBondContact O-CG 3.26Å; N116-M120 PolarHBondContact O-N 3.32Å
117R97.7Very high97Very high25 Ų2539 Ų399%0.09420%0.204CC..Hα-helixtrans-59.5-44.9174.7-49.6-176.185.4-156.611.3111.5E108 P113 K114 M120 T121 V371 C375E108-R117 IonicContact OE1-CZ 2.75Å; E108-R117 IonicContact OE1-NE 2.9Å; E108-R117 PolarHBondContact OE1-NE 3.44Å; E108-R117 IonicContact OE1-NH2 3.51Å; E108-R117 PolarHBondContact OE1-NH2 3.21Å; E108-R117 WeakPolarHBondContact OE2-CG 3.48Å; E108-R117 IonicContact OE2-NE 3.25Å; E108-R117 PolarHBondContact OE2-NE 3.42Å; P113-R117 PolarHBondContact O-N 3.46Å; K114-R117 WeakPolarHBondContact O-CB 3.39Å; K114-R117 PolarHBondContact O-N 3.28Å; K114-R117 VanDerWaalsContact O-N 3.13Å; R117-M120 HydrophobicContact CB-CE 4.47Å; R117-M120 HydrophobicContact CG-CE 4.49Å; R117-M120 PolarHBondContact O-N 2.79Å; R117-T121 WeakPolarHBondContact O-CB 3.34Å; R117-T121 PolarHBondContact O-N 2.96Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 2.97Å; R117-V371 HydrophobicContact CB-CG1 3.74Å; R117-V371 HydrophobicContact CB-CG2 4.25Å; R117-C375 VanDerWaalsContact CZ-O 3.3Å; R117-C375 PolarHBondContact NH1-O 3.25Å; R117-C375 PolarHBondContact NH2-O 3.28Å
118E98.4Very high97Very high68 Ų6839.3 Ų39.332%0.31821%0.205SC..Hα-helixtrans-62.2-43.3175.5-72173.2-155.300111.4K114 A115 N116 T121 Q122 P368 V371 H372K114-E118 PolarHBondContact O-N 3.11Å; A115-E118 PolarHBondContact O-N 2.81Å; N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 2.83Å; E118-T121 WeakPolarHBondContact O-CB 3.3Å; E118-T121 PolarHBondContact O-N 3.2Å; E118-T121 VanDerWaalsContact O-N 3.17Å; E118-Q122 PolarHBondContact O-N 3.42Å; E118-P368 HydrophobicContact CB-CB 3.75Å; E118-P368 HydrophobicContact CG-CB 4.06Å; E118-V371 HydrophobicContact CG-CG1 4.42Å; E118-H372 WeakPolarHBondContact CG-NE2 3.19Å; E118-H372 IonicContact OE1-CD2 3.52Å; E118-H372 IonicContact OE1-CE1 3.97Å; E118-H372 IonicContact OE1-NE2 3.42Å; E118-H372 PolarHBondContact OE1-NE2 3.19Å
119K98.3Very high97.1Very high61 Ų6143.1 Ų43.127%0.26523%0.226SC..Hα-helixtrans-67.7-39.3-179.7-169.760.6-177.9172.10113W80 A115 N116 T121 Q122 I123W80-K119 HydrophobicContact CD2-CB 4.16Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.49Å; W80-K119 HydrophobicContact CE3-CB 4.37Å; W80-K119 HydrophobicContact CE3-CG 3.7Å; W80-K119 HydrophobicContact CG-CG 3.82Å; W80-K119 HydrophobicContact CH2-CB 3.95Å; W80-K119 HydrophobicContact CH2-CG 4.19Å; W80-K119 HydrophobicContact CZ2-CB 3.71Å; W80-K119 HydrophobicContact CZ2-CG 3.92Å; W80-K119 HydrophobicContact CZ3-CB 4.27Å; W80-K119 HydrophobicContact CZ3-CG 4.08Å; A115-K119 WeakPolarHBondContact O-CB 3.47Å; A115-K119 PolarHBondContact O-N 3Å; N116-K119 PolarHBondContact O-N 3.17Å; K119-T121 VanDerWaalsContact C-N 3.27Å; K119-T121 PolarHBondContact O-N 2.98Å; K119-Q122 PolarHBondContact O-N 2.88Å; K119-I123 HydrophobicContact CD-CD1 4.29Å; K119-I123 HydrophobicContact CD-CG1 4.47Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.41Å; K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.32Å; K119-I123 PolarHBondContact O-N 3.12Å
120M97.7Very high97.3Very high5 Ų543 Ų433%0.02523%0.225CC..Hα-helixtrans-56.7-45.7170.1-65.3-168.6-74.800110.7W80 W87 L106 E108 N112 N116 R117 I123 M124 V135W80-M120 HydrophobicContact CH2-CG 3.58Å; W80-M120 HydrophobicContact CZ3-CG 3.78Å; W87-M120 HydrophobicContact CH2-CB 4.24Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.41Å; L106-M120 HydrophobicContact CD1-CB 4.28Å; E108-M120 HydrophobicContact CB-CE 4.31Å; N112-M120 WeakPolarHBondContact ND2-CE 3.32Å; N116-M120 WeakPolarHBondContact O-CG 3.26Å; N116-M120 PolarHBondContact O-N 3.32Å; R117-M120 HydrophobicContact CB-CE 4.47Å; R117-M120 HydrophobicContact CG-CE 4.49Å; R117-M120 PolarHBondContact O-N 2.79Å; M120-I123 PolarHBondContact O-N 3.44Å; M120-M124 WeakPolarHBondContact O-CG 3.48Å; M120-M124 PolarHBondContact O-N 2.87Å; M120-M124 VanDerWaalsContact O-N 3.08Å; M120-V135 HydrophobicContact CE-CG1 3.71Å; M120-V135 HydrophobicContact CE-CG2 4.17Å
121T98.2Very high97.5Very high0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-62.5-47.9-178.7-53.90000111.7R117 E118 K119 I123 M124 F125 M133 Y363 I370 V371R117-T121 WeakPolarHBondContact O-CB 3.34Å; R117-T121 PolarHBondContact O-N 2.96Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 2.97Å; E118-T121 WeakPolarHBondContact O-CB 3.3Å; E118-T121 PolarHBondContact O-N 3.2Å; E118-T121 VanDerWaalsContact O-N 3.17Å; K119-T121 VanDerWaalsContact C-N 3.27Å; K119-T121 PolarHBondContact O-N 2.98Å; T121-I123 PolarHBondContact O-N 3.2Å; T121-M124 PolarHBondContact O-N 3.44Å; T121-F125 HydrophobicContact CG2-CD2 3.83Å; T121-F125 HydrophobicContact CG2-CE2 3.87Å; T121-F125 VanDerWaalsContact O-CD2 3.31Å; T121-F125 WeakPolarHBondContact O-CD2 3.18Å; T121-F125 PolarHBondContact O-N 2.99Å; T121-M133 VanDerWaalsContact CA-SD 3.56Å; T121-M133 HydrophobicContact CG2-SD 3.99Å; T121-Y363 HydrophobicContact CG2-CD2 3.8Å; T121-Y363 HydrophobicContact CG2-CE2 4Å; T121-I370 HydrophobicContact CG2-CG2 4.36Å; T121-V371 WeakPolarHBondContact OG1-CB 3.47Å
122Q98.3Very high97.8Very high58 Ų5841 Ų4127%0.27122%0.219SC..Hα-helixtrans-56.7-50176.7-171.1-170.40.500111.4E118 K119 M124 F125 E126 P368E118-Q122 PolarHBondContact O-N 3.42Å; K119-Q122 PolarHBondContact O-N 2.88Å; Q122-M124 PolarHBondContact O-N 2.87Å; Q122-F125 PolarHBondContact O-N 3.14Å; Q122-E126 HydrophobicContact CG-CG 4.12Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.34Å; Q122-E126 PolarHBondContact NE2-OE2 3.32Å; Q122-E126 VanDerWaalsContact O-CB 3.23Å; Q122-E126 WeakPolarHBondContact O-CB 3.33Å; Q122-E126 WeakPolarHBondContact O-CG 3.36Å; Q122-E126 PolarHBondContact O-N 2.95Å; Q122-P368 HydrophobicContact CB-CG 4.21Å
123I98.5Very high97.9Very high2 Ų240.1 Ų40.11%0.0122%0.215CC..Iπ-helixtrans-63.7-44.5-176.2-69.9164.9000111.5W80 E84 W87 K119 M120 T121 F125 T127 F128W80-I123 HydrophobicContact CD2-CD1 4.31Å; W80-I123 HydrophobicContact CE3-CD1 3.5Å; W80-I123 HydrophobicContact CZ3-CD1 4.1Å; E84-I123 HydrophobicContact CG-CD1 3.76Å; E84-I123 HydrophobicContact CG-CG1 4.17Å; E84-I123 HydrophobicContact CG-CG2 3.74Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.11Å; W87-I123 HydrophobicContact CE3-CG2 3.79Å; W87-I123 HydrophobicContact CZ3-CB 4.03Å; W87-I123 HydrophobicContact CZ3-CD1 3.87Å; W87-I123 HydrophobicContact CZ3-CG2 3.64Å; K119-I123 HydrophobicContact CD-CD1 4.29Å; K119-I123 HydrophobicContact CD-CG1 4.47Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.41Å; K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.32Å; K119-I123 PolarHBondContact O-N 3.12Å; M120-I123 PolarHBondContact O-N 3.44Å; T121-I123 PolarHBondContact O-N 3.2Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 2.97Å; I123-T127 WeakPolarHBondContact O-CA 3.47Å; I123-T127 VanDerWaalsContact O-CB 3.25Å; I123-T127 WeakPolarHBondContact O-CB 3.3Å; I123-T127 PolarHBondContact O-N 3.01Å; I123-F128 HydrophobicContact CG2-CD2 3.77Å; I123-F128 HydrophobicContact CG2-CE2 3.63Å; I123-F128 PolarHBondContact O-N 3.35Å; I123-F128 VanDerWaalsContact O-N 3.09Å
124M98.5Very high98Very high0 Ų038.4 Ų38.40%020%0.201CC..Iπ-helixtrans-60.7-42.7-179.9-71.3-64.5135.300111.7W87 F91 V104 L106 M120 T121 Q122 F128 N129 T130 M133W87-M124 HydrophobicContact CB-CE 4.29Å; W87-M124 HydrophobicContact CD2-CE 3.35Å; W87-M124 HydrophobicContact CE3-CE 3.36Å; W87-M124 HydrophobicContact CG-CE 3.81Å; W87-M124 HydrophobicContact CH2-CE 4.01Å; W87-M124 HydrophobicContact CZ2-CE 4.06Å; W87-M124 HydrophobicContact CZ3-CE 3.69Å; F91-M124 HydrophobicContact CE2-CE 4.28Å; F91-M124 HydrophobicContact CE2-SD 4.33Å; F91-M124 HydrophobicContact CZ-CE 4.28Å; F91-M124 HydrophobicContact CZ-SD 4.13Å; V104-M124 HydrophobicContact CG1-SD 4.24Å; L106-M124 HydrophobicContact CD1-CE 3.93Å; L106-M124 HydrophobicContact CD1-CG 3.56Å; L106-M124 HydrophobicContact CD1-SD 4.01Å; L106-M124 HydrophobicContact CD2-CE 4.1Å; M120-M124 WeakPolarHBondContact O-CG 3.48Å; M120-M124 PolarHBondContact O-N 2.87Å; M120-M124 VanDerWaalsContact O-N 3.08Å; T121-M124 PolarHBondContact O-N 3.44Å; Q122-M124 PolarHBondContact O-N 2.87Å; M124-F128 HydrophobicContact CE-CD2 3.96Å; M124-F128 HydrophobicContact CE-CE2 4.2Å; M124-F128 CarbonylContact O-C 3.37Å; M124-F128 HydrophobicContact SD-CD2 4.24Å; M124-N129 PolarHBondContact O-N 3.3Å; M124-T130 HydrophobicContact CB-CG2 4.3Å; M124-T130 PolarHBondContact O-N 3.29Å; M124-T130 PolarHBondContact O-OG1 2.75Å; M124-T130 HydrophobicContact SD-CG2 4.18Å; M124-M133 HydrophobicContact CB-CG 4.5Å; M124-M133 HydrophobicContact CB-SD 3.62Å; M124-M133 HydrophobicContact CG-SD 3.97Å
125F98.5Very high98.1Very high0 Ų031.7 Ų31.70%017%0.172CC..Iπ-helixtrans-84.7-31.8-178.3-74.7-59000115.6T121 Q122 I123 T130 M133 I358 K360 Y363T121-F125 HydrophobicContact CG2-CD2 3.83Å; T121-F125 HydrophobicContact CG2-CE2 3.87Å; T121-F125 VanDerWaalsContact O-CD2 3.31Å; T121-F125 WeakPolarHBondContact O-CD2 3.18Å; T121-F125 PolarHBondContact O-N 2.99Å; Q122-F125 PolarHBondContact O-N 3.14Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 2.97Å; F125-T130 WeakPolarHBondContact CD1-O 3.4Å; F125-T130 WeakPolarHBondContact CE1-O 3.33Å; F125-M133 HydrophobicContact CD2-CG 4.24Å; F125-M133 HydrophobicContact CD2-SD 4.18Å; F125-M133 HydrophobicContact CE1-CG 4.37Å; F125-M133 HydrophobicContact CE2-CG 3.47Å; F125-M133 VanDerWaalsContact CE2-CG 3.47Å; F125-M133 HydrophobicContact CE2-SD 3.89Å; F125-M133 HydrophobicContact CZ-CG 3.57Å; F125-I358 HydrophobicContact CE2-CB 4.49Å; F125-I358 HydrophobicContact CE2-CG2 3.88Å; F125-I358 HydrophobicContact CZ-CB 4.3Å; F125-I358 HydrophobicContact CZ-CG2 3.9Å; F125-I358 WeakPolarHBondContact CZ-O 3.44Å; F125-K360 HydrophobicContact CB-CD 4.19Å; F125-K360 HydrophobicContact CD1-CB 4.17Å; F125-K360 HydrophobicContact CD1-CD 3.57Å; F125-K360 HydrophobicContact CD1-CG 4.49Å; F125-K360 HydrophobicContact CE1-CB 4.06Å; F125-K360 HydrophobicContact CE1-CD 4.3Å; F125-K360 HydrophobicContact CG-CD 4.19Å; F125-K360 PolarHBondContact O-NZ 2.58Å; F125-Y363 HydrophobicContact CB-CD1 3.67Å; F125-Y363 HydrophobicContact CB-CD2 4.32Å; F125-Y363 HydrophobicContact CB-CE1 3.77Å; F125-Y363 HydrophobicContact CB-CE2 4.38Å; F125-Y363 HydrophobicContact CB-CG 3.96Å; F125-Y363 AromaticContact CD2-CD1 3.98Å; F125-Y363 HydrophobicContact CD2-CD1 3.98Å; F125-Y363 AromaticContact CD2-CD2 3.35Å; F125-Y363 HydrophobicContact CD2-CD2 3.35Å; F125-Y363 AromaticContact CD2-CE2 3.98Å; F125-Y363 HydrophobicContact CD2-CE2 3.98Å; F125-Y363 AromaticContact CD2-CG 3.33Å; F125-Y363 HydrophobicContact CD2-CG 3.33Å; F125-Y363 AromaticContact CE2-CD2 3.89Å; F125-Y363 HydrophobicContact CE2-CD2 3.89Å; F125-Y363 AromaticContact CE2-CG 3.84Å; F125-Y363 HydrophobicContact CE2-CG 3.84Å; F125-Y363 AromaticContact CG-CD1 3.89Å; F125-Y363 HydrophobicContact CG-CD1 3.89Å; F125-Y363 HydrophobicContact CG-CD2 4.11Å; F125-Y363 HydrophobicContact CG-CE1 4.43Å; F125-Y363 AromaticContact CG-CG 3.71Å; F125-Y363 HydrophobicContact CG-CG 3.71Å
126E98.4Very high98.1Very high100 Ų10029 Ų2947%0.46715%0.15SC..Iπ-helixtrans-97.1-39.2-175.4-63.3-177.4-177.100112.6Q122 Y363Q122-E126 HydrophobicContact CG-CG 4.12Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.34Å; Q122-E126 PolarHBondContact NE2-OE2 3.32Å; Q122-E126 VanDerWaalsContact O-CB 3.23Å; Q122-E126 WeakPolarHBondContact O-CB 3.33Å; Q122-E126 WeakPolarHBondContact O-CG 3.36Å; Q122-E126 PolarHBondContact O-N 2.95Å; E126-Y363 VanDerWaalsContact CD-OH 3.31Å; E126-Y363 HydrophobicContact CG-CE1 4.11Å; E126-Y363 PolarHBondContact OE1-OH 2.83Å
127T98.2Very high98Very high71 Ų7128.8 Ų28.844%0.43615%0.148SC..Iπ-helixtrans-88.8-50.4179.8-53.70000110.9I123I123-T127 WeakPolarHBondContact O-CA 3.47Å; I123-T127 VanDerWaalsContact O-CB 3.25Å; I123-T127 WeakPolarHBondContact O-CB 3.3Å; I123-T127 PolarHBondContact O-N 3.01Å
128F98.3Very high98Very high8 Ų828.3 Ų28.34%0.03515%0.147CC..SBendtrans-94.2-6.3-175.5-65.8-67.6000114.3W87 H88 F91 Y92 P99 I123 M124 T130W87-F128 HydrophobicContact CB-CE2 3.73Å; W87-F128 HydrophobicContact CB-CZ 3.71Å; W87-F128 HydrophobicContact CE3-CE2 4.07Å; H88-F128 HydrophobicContact CB-CE1 4.1Å; H88-F128 HydrophobicContact CB-CZ 4.19Å; F91-F128 AromaticContact CD2-CD1 3.79Å; F91-F128 HydrophobicContact CD2-CD1 3.79Å; F91-F128 AromaticContact CD2-CE1 3.87Å; F91-F128 HydrophobicContact CD2-CE1 3.87Å; F91-F128 HydrophobicContact CD2-CG 4.21Å; F91-F128 HydrophobicContact CD2-CZ 4.36Å; F91-F128 AromaticContact CE2-CD1 3.98Å; F91-F128 HydrophobicContact CE2-CD1 3.98Å; F91-F128 HydrophobicContact CE2-CD2 4.08Å; F91-F128 HydrophobicContact CE2-CE1 4.19Å; F91-F128 HydrophobicContact CE2-CE2 4.29Å; F91-F128 AromaticContact CE2-CG 3.92Å; F91-F128 HydrophobicContact CE2-CG 3.92Å; F91-F128 HydrophobicContact CE2-CZ 4.34Å; Y92-F128 HydrophobicContact CE2-CE1 4.36Å; P99-F128 HydrophobicContact CB-CB 4.17Å; P99-F128 HydrophobicContact CG-CB 4.01Å; P99-F128 HydrophobicContact CG-CD1 3.89Å; P99-F128 HydrophobicContact CG-CG 4.37Å; I123-F128 HydrophobicContact CG2-CD2 3.77Å; I123-F128 HydrophobicContact CG2-CE2 3.63Å; I123-F128 PolarHBondContact O-N 3.35Å; I123-F128 VanDerWaalsContact O-N 3.09Å; M124-F128 HydrophobicContact CE-CD2 3.96Å; M124-F128 HydrophobicContact CE-CE2 4.2Å; M124-F128 CarbonylContact O-C 3.37Å; M124-F128 HydrophobicContact SD-CD2 4.24Å; F128-T130 HydrophobicContact CB-CG2 4.09Å; F128-T130 PolarHBondContact O-N 2.98Å; F128-T130 VanDerWaalsContact O-N 3.1Å
129N98.2Very high97.9Very high92 Ų9225.1 Ų25.149%0.49213%0.132SC..  trans51.232.5178.2-59.6-68.5000114.1E100 M124E100-N129 WeakPolarHBondContact CA-O 3.37Å; E100-N129 HydrophobicContact CB-CB 4.14Å; M124-N129 PolarHBondContact O-N 3.3Å
130T98.2Very high97.9Very high0 Ų023 Ų230%013%0.125CC..  trans-59.5135.9-179.459.50000110.1P99 V104 M124 F125 F128 A132P99-T130 HydrophobicContact CB-CG2 4.22Å; V104-T130 HydrophobicContact CB-CG2 4.28Å; V104-T130 HydrophobicContact CG2-CG2 3.53Å; M124-T130 HydrophobicContact CB-CG2 4.3Å; M124-T130 PolarHBondContact O-N 3.29Å; M124-T130 PolarHBondContact O-OG1 2.75Å; M124-T130 HydrophobicContact SD-CG2 4.18Å; F125-T130 WeakPolarHBondContact CD1-O 3.4Å; F125-T130 WeakPolarHBondContact CE1-O 3.33Å; F128-T130 HydrophobicContact CB-CG2 4.09Å; F128-T130 PolarHBondContact O-N 2.98Å; F128-T130 VanDerWaalsContact O-N 3.1Å; T130-A132 VanDerWaalsContact C-N 3.26Å; T130-A132 PolarHBondContact O-N 2.86Å
131P97.6Very high97.9Very high53 Ų5322.9 Ų22.934%0.34412%0.124SC..SBendtrans-66.9-30.3-177.526.2-34.9000112.4E100 H102 K360E100-P131 WeakPolarHBondContact O-CD 3.3Å; H102-P131 VanDerWaalsContact O-CD 3.32Å; H102-P131 WeakPolarHBondContact O-CD 3.29Å; P131-K360 PolarHBondContact O-N 2.95Å
132A97.9Very high97.8Very high13 Ų1322.9 Ų22.911%0.10712%0.124CC..EExtended strand (participates in β ladder)trans-154.2156.5176.200000110.9P103 V104 T130 W357 I358P103-A132 CarbonylContact C-O 3.54Å; P103-A132 VanDerWaalsContact CA-O 3.25Å; P103-A132 WeakPolarHBondContact CA-O 3.35Å; P103-A132 HydrophobicContact CB-CB 4.12Å; P103-A132 HydrophobicContact CG-CB 4.47Å; V104-A132 PolarHBondContact N-O 3.23Å; T130-A132 VanDerWaalsContact C-N 3.26Å; T130-A132 PolarHBondContact O-N 2.86Å; A132-W357 HydrophobicContact CB-CB 4.1Å; A132-W357 HydrophobicContact CB-CG 4.39Å; A132-I358 CarbonylContact C-O 3.48Å; A132-I358 WeakPolarHBondContact CA-O 3.41Å; A132-I358 WeakPolarHBondContact CB-O 3.37Å
133M98Very high97.8Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-149.5164.7173.265.9156.6-71.300113.5V104 L106 T121 M124 F125 V135 I358V104-M133 CarbonylContact O-C 3.55Å; V104-M133 WeakPolarHBondContact O-CA 3.36Å; V104-M133 VanDerWaalsContact O-CB 3.27Å; V104-M133 WeakPolarHBondContact O-CB 3.25Å; L106-M133 HydrophobicContact CD1-CE 4.15Å; T121-M133 VanDerWaalsContact CA-SD 3.56Å; T121-M133 HydrophobicContact CG2-SD 3.99Å; M124-M133 HydrophobicContact CB-CG 4.5Å; M124-M133 HydrophobicContact CB-SD 3.62Å; M124-M133 HydrophobicContact CG-SD 3.97Å; F125-M133 HydrophobicContact CD2-CG 4.24Å; F125-M133 HydrophobicContact CD2-SD 4.18Å; F125-M133 HydrophobicContact CE1-CG 4.37Å; F125-M133 HydrophobicContact CE2-CG 3.47Å; F125-M133 VanDerWaalsContact CE2-CG 3.47Å; F125-M133 HydrophobicContact CE2-SD 3.89Å; F125-M133 HydrophobicContact CZ-CG 3.57Å; M133-V135 HydrophobicContact CE-CG2 3.4Å; M133-V135 VanDerWaalsContact CE-CG2 3.4Å; M133-I358 PolarHBondContact N-O 2.92Å; M133-I358 WeakPolarHBondContact O-CB 3.41Å; M133-I358 PolarHBondContact O-N 3.44Å
134Y98.1Very high97.5Very high21 Ų2123.6 Ų23.68%0.08213%0.125CC..EExtended strand (participates in β ladder)trans-146.5148.3174.2-166.4-95.5000110.2V104 L105 L106 A136 F353 M356 K374 C375V104-Y134 PolarHBondContact O-N 2.92Å; L105-Y134 WeakPolarHBondContact CA-O 3.18Å; L105-Y134 HydrophobicContact CD1-CD1 4.43Å; L106-Y134 PolarHBondContact N-O 3.24Å; Y134-A136 HydrophobicContact CD1-CB 4.07Å; Y134-A136 HydrophobicContact CE1-CB 3.96Å; Y134-F353 HydrophobicContact CD1-CE2 4.12Å; Y134-F353 AromaticContact CD1-CZ 3.59Å; Y134-F353 HydrophobicContact CD1-CZ 3.59Å; Y134-F353 HydrophobicContact CD2-CE2 4.36Å; Y134-F353 AromaticContact CD2-CZ 3.93Å; Y134-F353 HydrophobicContact CD2-CZ 3.93Å; Y134-F353 HydrophobicContact CE1-CE2 4.05Å; Y134-F353 HydrophobicContact CE1-CZ 4Å; Y134-F353 HydrophobicContact CE2-CE2 4.3Å; Y134-F353 HydrophobicContact CE2-CZ 4.32Å; Y134-F353 HydrophobicContact CG-CE1 4.45Å; Y134-F353 HydrophobicContact CG-CE2 4.28Å; Y134-F353 AromaticContact CG-CZ 3.55Å; Y134-F353 HydrophobicContact CG-CZ 3.55Å; Y134-M356 HydrophobicContact CD2-CB 4.43Å; Y134-M356 WeakPolarHBondContact CD2-O 3.44Å; Y134-M356 HydrophobicContact CE2-CB 4.07Å; Y134-M356 HydrophobicContact CE2-CE 4.45Å; Y134-K374 WeakPolarHBondContact CE2-O 3.48Å; Y134-K374 PolarHBondContact OH-O 2.73Å; Y134-C375 VanDerWaalsContact CD2-SG 3.5Å; Y134-C375 HydrophobicContact CE2-CB 4.36Å; Y134-C375 VanDerWaalsContact CE2-SG 3.52Å
135V97.9Very high97.4Very high2 Ų224.8 Ų24.81%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-115.9125.2173.3-174.20000109.1L106 E108 M120 M133 V371 C375L106-V135 CarbonylContact O-C 3.54Å; L106-V135 VanDerWaalsContact O-CA 3.32Å; L106-V135 WeakPolarHBondContact O-CA 3.45Å; E108-V135 HydrophobicContact CB-CG1 3.91Å; E108-V135 HydrophobicContact CG-CG1 3.66Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.28Å; M120-V135 HydrophobicContact CE-CG1 3.71Å; M120-V135 HydrophobicContact CE-CG2 4.17Å; M133-V135 HydrophobicContact CE-CG2 3.4Å; M133-V135 VanDerWaalsContact CE-CG2 3.4Å; V135-V371 HydrophobicContact CB-CG2 4.34Å; V135-V371 HydrophobicContact CG2-CG2 3.99Å; V135-C375 HydrophobicContact CB-CB 4.37Å; V135-C375 PolarHBondContact N-SG 2.9Å; V135-C375 VanDerWaalsContact N-SG 3.36Å; V135-C375 VanDerWaalsContact O-CB 3.31Å; V135-C375 WeakPolarHBondContact O-CB 3.43Å
136A97.1Very high97.2Very high8 Ų825.9 Ų25.97%0.06614%0.143CC..EExtended strand (participates in β ladder)trans-124.9144.2-179.100000112.4L105 L106 T107 E108 Y134 Q138 L141L105-A136 HydrophobicContact CD2-CB 4.29Å; L106-A136 PolarHBondContact O-N 3.02Å; T107-A136 CarbonylContact C-O 3.54Å; T107-A136 VanDerWaalsContact CA-O 3.27Å; T107-A136 WeakPolarHBondContact CA-O 3.16Å; E108-A136 PolarHBondContact N-O 3.23Å; Y134-A136 HydrophobicContact CD1-CB 4.07Å; Y134-A136 HydrophobicContact CE1-CB 3.96Å; A136-Q138 PolarHBondContact O-N 2.75Å; A136-L141 HydrophobicContact CB-CD1 3.9Å; A136-L141 HydrophobicContact CB-CD2 3.8Å; A136-L141 HydrophobicContact CB-CG 3.92Å
137I96.6Very high97Very high18 Ų1824.5 Ų24.59%0.09216%0.155CC..EExtended strand (participates in β ladder)trans-70.2127.1177.7-61172.2000109.4E108 P110 A139 V140 L141 A171E108-I137 HydrophobicContact CG-CG1 4.43Å; E108-I137 WeakPolarHBondContact O-CA 3.18Å; P110-I137 HydrophobicContact CB-CG2 4.18Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.28Å; I137-A139 PolarHBondContact O-N 3.12Å; I137-V140 HydrophobicContact CB-CB 4.29Å; I137-V140 HydrophobicContact CB-CG2 3.93Å; I137-V140 HydrophobicContact CG2-CG2 4.22Å; I137-V140 WeakPolarHBondContact O-CB 3.04Å; I137-V140 PolarHBondContact O-N 3.41Å; I137-L141 PolarHBondContact O-N 3.25Å; I137-L141 VanDerWaalsContact O-N 3.16Å; I137-A171 HydrophobicContact CD1-CB 4.18Å
138Q97.4Very high96.9Very high14 Ų1424.1 Ų24.17%0.06515%0.146CC..Hα-helixtrans-50.9-46.5-177.9-72.6176-40.800112.8D12 N13 T107 E108 A136 V140 L141 S142 V340D12-Q138 PolarHBondContact OD1-NE2 2.79Å; N13-Q138 PolarHBondContact O-NE2 2.81Å; T107-Q138 PolarHBondContact OG1-NE2 3.21Å; E108-Q138 WeakPolarHBondContact O-CG 3.47Å; E108-Q138 PolarHBondContact O-N 2.79Å; A136-Q138 PolarHBondContact O-N 2.75Å; Q138-V140 PolarHBondContact O-N 3.09Å; Q138-L141 PolarHBondContact O-N 3.37Å; Q138-S142 PolarHBondContact O-N 3.06Å; Q138-S142 PolarHBondContact O-OG 3.3Å; Q138-V340 HydrophobicContact CB-CG1 3.95Å; Q138-V340 HydrophobicContact CB-CG2 3.89Å; Q138-V340 HydrophobicContact CG-CG1 3.77Å; Q138-V340 HydrophobicContact CG-CG2 4.38Å
139A97.2Very high96.7Very high1 Ų127.1 Ų27.11%0.00817%0.165CC..Hα-helixtrans-63.3-38179.100000113.3I137 S142 L143 V153 V164I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.28Å; I137-A139 PolarHBondContact O-N 3.12Å; A139-S142 PolarHBondContact O-N 2.77Å; A139-L143 PolarHBondContact O-N 2.68Å; A139-V153 HydrophobicContact CB-CB 4.02Å; A139-V153 HydrophobicContact CB-CG1 4.04Å; A139-V153 WeakPolarHBondContact O-CG2 3.34Å; A139-V164 HydrophobicContact CB-CB 3.54Å; A139-V164 HydrophobicContact CB-CG1 3.92Å; A139-V164 HydrophobicContact CB-CG2 3.47Å; A139-V164 VanDerWaalsContact CB-CG2 3.47Å
140V96.7Very high96.7Very high18 Ų1823.9 Ų23.911%0.10915%0.149CC..Hα-helixtrans-64.6-43.8177.7175.90000110.2I137 Q138 S142 L143 Y144 I166 A171I137-V140 HydrophobicContact CB-CB 4.29Å; I137-V140 HydrophobicContact CB-CG2 3.93Å; I137-V140 HydrophobicContact CG2-CG2 4.22Å; I137-V140 WeakPolarHBondContact O-CB 3.04Å; I137-V140 PolarHBondContact O-N 3.41Å; Q138-V140 PolarHBondContact O-N 3.09Å; V140-S142 PolarHBondContact O-N 3.05Å; V140-L143 PolarHBondContact O-N 3.19Å; V140-Y144 HydrophobicContact CG1-CD2 3.94Å; V140-Y144 HydrophobicContact CG1-CE2 3.62Å; V140-Y144 VanDerWaalsContact O-CD2 3.32Å; V140-Y144 WeakPolarHBondContact O-CD2 3.32Å; V140-Y144 PolarHBondContact O-N 3.37Å; V140-Y144 VanDerWaalsContact O-N 3.09Å; V140-I166 HydrophobicContact CB-CD1 4.46Å; V140-I166 HydrophobicContact CG2-CD1 4.02Å; V140-I166 HydrophobicContact CG2-CG1 4.15Å; V140-A171 HydrophobicContact CG2-CB 4.05Å
141L97.3Very high96.7Very high1 Ų123.9 Ų23.91%0.00515%0.149CC..Hα-helixtrans-62-44174.7-60.3-178.4000111.8L105 T107 A136 I137 Q138 L143 Y144 A145 V340 G343 L347L105-L141 HydrophobicContact CD2-CD1 4.07Å; T107-L141 HydrophobicContact CG2-CD1 3.64Å; A136-L141 HydrophobicContact CB-CD1 3.9Å; A136-L141 HydrophobicContact CB-CD2 3.8Å; A136-L141 HydrophobicContact CB-CG 3.92Å; I137-L141 PolarHBondContact O-N 3.25Å; I137-L141 VanDerWaalsContact O-N 3.16Å; Q138-L141 PolarHBondContact O-N 3.37Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 PolarHBondContact O-N 2.97Å; L141-Y144 WeakPolarHBondContact O-CB 3.41Å; L141-Y144 PolarHBondContact O-N 3.16Å; L141-Y144 VanDerWaalsContact O-N 3.08Å; L141-A145 PolarHBondContact O-N 3.08Å; L141-V340 WeakPolarHBondContact CB-O 3.37Å; L141-V340 HydrophobicContact CD1-CG1 4.29Å; L141-G343 VanDerWaalsContact O-CA 3.28Å; L141-G343 WeakPolarHBondContact O-CA 3.11Å; L141-L347 HydrophobicContact CD2-CB 4.32Å; L141-L347 HydrophobicContact CD2-CD2 3.62Å
142S97.7Very high96.8Very high0 Ų021.4 Ų21.40%013%0.132CC..Hα-helixtrans-60.9-34.1177-71.10000113.5Q138 A139 V140 S301 S339 V340Q138-S142 PolarHBondContact O-N 3.06Å; Q138-S142 PolarHBondContact O-OG 3.3Å; A139-S142 PolarHBondContact O-N 2.77Å; V140-S142 PolarHBondContact O-N 3.05Å; S142-S301 WeakPolarHBondContact CB-OG 3.36Å; S142-S301 PolarHBondContact OG-OG 3.24Å; S142-S339 WeakPolarHBondContact OG-CB 3.42Å; S142-V340 WeakPolarHBondContact OG-CG2 3.39Å; S142-V340 PolarHBondContact OG-N 3.08Å
143L97.1Very high96.8Very high2 Ų220.8 Ų20.81%0.0113%0.127CC..Hα-helixtrans-66.9-44.5173.2-169.171.8000111.1A139 V140 L141 A145 S146 R148 V153 I166 V299A139-L143 PolarHBondContact O-N 2.68Å; V140-L143 PolarHBondContact O-N 3.19Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 PolarHBondContact O-N 2.97Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.94Å; L143-S146 WeakPolarHBondContact O-CB 3.28Å; L143-S146 PolarHBondContact O-N 3.35Å; L143-S146 PolarHBondContact O-OG 2.73Å; L143-R148 CarbonylContact C-O 3.56Å; L143-R148 HydrophobicContact CD1-CB 3.87Å; L143-R148 HydrophobicContact CG-CB 3.9Å; L143-R148 WeakPolarHBondContact CG-O 3.45Å; L143-R148 PolarHBondContact O-N 3.36Å; L143-V153 HydrophobicContact CB-CG2 3.85Å; L143-V153 HydrophobicContact CD1-CG2 4.07Å; L143-I166 HydrophobicContact CB-CD1 3.94Å; L143-I166 HydrophobicContact CD2-CB 3.73Å; L143-I166 HydrophobicContact CD2-CD1 3.84Å; L143-I166 HydrophobicContact CD2-CG1 4.41Å; L143-I166 HydrophobicContact CD2-CG2 3.6Å; L143-I166 HydrophobicContact CG-CD1 4.46Å; L143-V299 HydrophobicContact CD1-CG2 3.81Å
144Y93.7Very high96.8Very high73 Ų7320.8 Ų20.829%0.28613%0.127SC..Hα-helixtrans-59.4-41176-81.5-55.7000112.8V140 L141 S146 G147 T149V140-Y144 HydrophobicContact CG1-CD2 3.94Å; V140-Y144 HydrophobicContact CG1-CE2 3.62Å; V140-Y144 VanDerWaalsContact O-CD2 3.32Å; V140-Y144 WeakPolarHBondContact O-CD2 3.32Å; V140-Y144 PolarHBondContact O-N 3.37Å; V140-Y144 VanDerWaalsContact O-N 3.09Å; L141-Y144 WeakPolarHBondContact O-CB 3.41Å; L141-Y144 PolarHBondContact O-N 3.16Å; L141-Y144 VanDerWaalsContact O-N 3.08Å; Y144-S146 PolarHBondContact O-N 3.14Å; Y144-S146 VanDerWaalsContact O-N 3.13Å; Y144-G147 WeakPolarHBondContact O-CA 3.38Å; Y144-G147 PolarHBondContact O-N 3.15Å; Y144-T149 HydrophobicContact CE1-CG2 3.93Å
145A96Very high96.8Very high25 Ų2520.3 Ų20.321%0.20713%0.126CC..Hα-helixtrans-58.1-27175.100000112.9L141 L143 G147 S339 I342L141-A145 PolarHBondContact O-N 3.08Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.94Å; A145-G147 VanDerWaalsContact C-N 3.29Å; A145-S339 VanDerWaalsContact CB-O 3.27Å; A145-S339 WeakPolarHBondContact CB-O 3.33Å; A145-I342 HydrophobicContact CB-CB 4.14Å; A145-I342 HydrophobicContact CB-CG2 3.93Å
146S94.6Very high96.8Very high24 Ų2420.3 Ų20.317%0.16813%0.126CC..THydrogen-bonded Turntrans-84.1-1.2175.486.10000113.9L143 Y144 R148L143-S146 WeakPolarHBondContact O-CB 3.28Å; L143-S146 PolarHBondContact O-N 3.35Å; L143-S146 PolarHBondContact O-OG 2.73Å; Y144-S146 PolarHBondContact O-N 3.14Å; Y144-S146 VanDerWaalsContact O-N 3.13Å; S146-R148 PolarHBondContact O-NH1 2.91Å; S146-R148 PolarHBondContact OG-NH1 2.67Å; S146-R148 VanDerWaalsContact OG-NH1 3.17Å
147G93.8Very high96.8Very high71 Ų7120.9 Ų20.973%0.73213%0.133SC*.THydrogen-bonded Turntrans74.233.6-175.800000113.5Y144 A145Y144-G147 WeakPolarHBondContact O-CA 3.38Å; Y144-G147 PolarHBondContact O-N 3.15Å; A145-G147 VanDerWaalsContact C-N 3.29Å
148R95.2Very high96.8Very high62 Ų6221.9 Ų21.923%0.23414%0.138CC..  trans-129.2150-176.6-67.9175.4179.866.417111.7L143 S146 N297 I331L143-R148 CarbonylContact C-O 3.56Å; L143-R148 HydrophobicContact CD1-CB 3.87Å; L143-R148 HydrophobicContact CG-CB 3.9Å; L143-R148 WeakPolarHBondContact CG-O 3.45Å; L143-R148 PolarHBondContact O-N 3.36Å; S146-R148 PolarHBondContact O-NH1 2.91Å; S146-R148 PolarHBondContact OG-NH1 2.67Å; S146-R148 VanDerWaalsContact OG-NH1 3.17Å; R148-N297 WeakPolarHBondContact CD-OD1 3.41Å; R148-N297 PolarHBondContact NE-OD1 3.15Å; R148-I331 VanDerWaalsContact CZ-CD1 3.44Å; R148-I331 VanDerWaalsContact NE-CD1 3.29Å
149T94.6Very high96.7Very high72 Ų7221.4 Ų21.444%0.44214%0.137SC..SBendtrans-113.3-17.5172.350.60000112.5Y144 I166 E168 G169Y144-T149 HydrophobicContact CE1-CG2 3.93Å; T149-I166 WeakPolarHBondContact O-CG2 3.26Å; T149-E168 PolarHBondContact O-N 3.33Å; T149-G169 PolarHBondContact O-N 3.5Å
150T97.8Very high96.7Very high24 Ų2421.7 Ų21.715%0.14714%0.139CC..SBendtrans-126.3133.3176.8-61.20000110I166 Y167 E168 D293T150-I166 WeakPolarHBondContact CA-O 3.13Å; T150-Y167 HydrophobicContact CG2-CD2 3.71Å; T150-Y167 HydrophobicContact CG2-CE2 4.27Å; T150-E168 PolarHBondContact OG1-N 2.96Å; T150-D293 HydrophobicContact CG2-CB 3.9Å
151G98.4Very high96.8Very high0 Ų020.9 Ų20.90%013%0.134CC..EExtended strand (participates in β ladder)trans160.6-179.9-179.100000111.6I166 L294 N297G151-I166 PolarHBondContact N-O 2.92Å; G151-I166 PolarHBondContact O-N 3.18Å; G151-L294 VanDerWaalsContact C-CD2 3.47Å; G151-L294 WeakPolarHBondContact O-CD2 3.24Å; G151-N297 WeakPolarHBondContact CA-O 3.27Å
152I98.7Very high96.8Very high0 Ų020.9 Ų20.90%013%0.134CC..EExtended strand (participates in β ladder)trans-115.7135.6171.1-174.4165.9000109.2P165 T279 S282 I283 N297 T298 V299I152-P165 HydrophobicContact CD1-CB 4.3Å; I152-P165 HydrophobicContact CG1-CB 4.33Å; I152-T279 HydrophobicContact CD1-CG2 3.97Å; I152-T279 HydrophobicContact CG1-CG2 4.49Å; I152-T279 HydrophobicContact CG2-CG2 4.22Å; I152-S282 WeakPolarHBondContact CD1-OG 3.4Å; I152-I283 HydrophobicContact CD1-CD1 4.41Å; I152-I283 HydrophobicContact CD1-CG1 3.69Å; I152-I283 HydrophobicContact CG2-CD1 4.05Å; I152-I283 HydrophobicContact CG2-CG1 4.26Å; I152-N297 PolarHBondContact N-O 3.41Å; I152-T298 HydrophobicContact CG2-CG2 4.07Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.43Å; I152-T298 CarbonylContact O-C 3.53Å; I152-T298 WeakPolarHBondContact O-CA 3.32Å; I152-V299 PolarHBondContact O-N 2.79Å
153V98.7Very high96.8Very high0 Ų021 Ų210%013%0.134CC..EExtended strand (participates in β ladder)trans-105124.5175.8178.60000109.1A139 L143 D155 T163 V164 I166 V299A139-V153 HydrophobicContact CB-CB 4.02Å; A139-V153 HydrophobicContact CB-CG1 4.04Å; A139-V153 WeakPolarHBondContact O-CG2 3.34Å; L143-V153 HydrophobicContact CB-CG2 3.85Å; L143-V153 HydrophobicContact CD1-CG2 4.07Å; V153-D155 HydrophobicContact CG1-CB 4.09Å; V153-T163 CarbonylContact O-C 3.59Å; V153-T163 WeakPolarHBondContact O-CA 3.35Å; V153-V164 PolarHBondContact N-O 3.38Å; V153-V164 PolarHBondContact O-N 3.13Å; V153-I166 HydrophobicContact CG2-CD1 3.95Å; V153-V299 WeakPolarHBondContact CA-O 3.49Å; V153-V299 HydrophobicContact CG2-CB 4.25Å
154M98.5Very high96.9Very high0 Ų020.9 Ų20.90%013%0.134CC..EExtended strand (participates in β ladder)trans-97.296.5164.3-167.9-77.6-68.300107T161 H162 T163 I275 V299 L300 S301 T305 I310 M314M154-T161 HydrophobicContact SD-CG2 4.03Å; M154-H162 WeakPolarHBondContact CA-O 3.25Å; M154-T163 HydrophobicContact CB-CG2 4.47Å; M154-T163 HydrophobicContact CG-CG2 4.08Å; M154-I275 HydrophobicContact CE-CD1 3.61Å; M154-I275 HydrophobicContact SD-CB 4.33Å; M154-I275 HydrophobicContact SD-CD1 4.16Å; M154-I275 HydrophobicContact SD-CG2 4.39Å; M154-V299 PolarHBondContact N-O 3.13Å; M154-L300 HydrophobicContact CB-CD2 4.12Å; M154-L300 HydrophobicContact CE-CD2 3.73Å; M154-S301 PolarHBondContact O-N 3.18Å; M154-T305 HydrophobicContact CE-CG2 3.51Å; M154-T305 HydrophobicContact SD-CG2 4.11Å; M154-I310 HydrophobicContact CE-CD1 4.35Å; M154-M314 HydrophobicContact CE-CE 4.39Å; M154-M314 HydrophobicContact CG-CE 4.31Å
155D98.2Very high97.1Very high12 Ų1217.4 Ų17.46%0.06412%0.12CC..EExtended strand (participates in β ladder)trans-97.6123.7179.1-173.178.2000109.6V153 T161 H162 S301V153-D155 HydrophobicContact CG1-CB 4.09Å; D155-T161 CarbonylContact O-C 3.53Å; D155-T161 VanDerWaalsContact O-CA 3.27Å; D155-T161 WeakPolarHBondContact O-CA 3.27Å; D155-H162 PolarHBondContact N-O 2.96Å; D155-H162 PolarHBondContact O-N 2.92Å; D155-S301 CarbonylContact C-O 3.51Å; D155-S301 WeakPolarHBondContact CA-O 3.5Å; D155-S301 WeakPolarHBondContact OD1-CB 3.26Å; D155-S301 PolarHBondContact OD1-OG 3.34Å
156S98.4Very high97.3Very high2 Ų216.2 Ų16.21%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-132.8105.6177.5-170.10000110.6T161 S301 G302 G303 T304S156-T161 WeakPolarHBondContact CB-OG1 3.46Å; S156-T161 PolarHBondContact OG-OG1 2.85Å; S156-S301 PolarHBondContact N-O 3.48Å; S156-G302 CarbonylContact O-C 3.5Å; S156-G302 WeakPolarHBondContact O-CA 3.4Å; S156-G303 PolarHBondContact O-N 3.3Å; S156-T304 WeakPolarHBondContact O-CB 3.5Å; S156-T304 PolarHBondContact O-N 3.38Å; S156-T304 VanDerWaalsContact OG-CB 3.3Å; S156-T304 WeakPolarHBondContact OG-CB 3.21Å; S156-T304 WeakPolarHBondContact OG-CG2 3.32Å
157G97Very high97.4Very high20 Ų2018.8 Ų18.821%0.20612%0.117CC..  trans-91.1-152.4-179.200000113.3V160 A182 G183 T304G157-V160 PolarHBondContact N-O 2.73Å; G157-V160 VanDerWaalsContact N-O 3.09Å; G157-A182 WeakPolarHBondContact O-CB 3.36Å; G157-G183 PolarHBondContact O-N 3.02Å; G157-G183 VanDerWaalsContact O-N 3.15Å; G157-T304 PolarHBondContact O-OG1 2.9Å
158D96.3Very high97.4Very high38 Ų3821 Ų2120%0.20311%0.108CC..SBendtrans-80.9-36.2171.2-175.960000112.1G16 A182 G183 R184G16-D158 WeakPolarHBondContact CA-OD2 3.37Å; D158-A182 WeakPolarHBondContact O-CB 3.32Å; D158-G183 PolarHBondContact O-N 3Å; D158-G183 VanDerWaalsContact O-N 3.16Å; D158-R184 VanDerWaalsContact O-CB 3.27Å; D158-R184 WeakPolarHBondContact O-CB 3.39Å; D158-R184 PolarHBondContact O-N 3.34Å; D158-R184 PolarHBondContact OD1-N 2.98Å; D158-R184 IonicContact OD2-CZ 3.19Å; D158-R184 IonicContact OD2-NE 2.74Å; D158-R184 PolarHBondContact OD2-NE 2.9Å; D158-R184 IonicContact OD2-NH2 2.78Å; D158-R184 PolarHBondContact OD2-NH2 2.83Å
159G95.7Very high97.3Very high4 Ų418.7 Ų18.74%0.04110%0.104CC..SBendtrans-104.1-21.5-170.900000115.8H74 A182H74-G159 WeakPolarHBondContact CA-O 3.3Å; H74-G159 PolarHBondContact CD2-O 3.16Å; G159-A182 VanDerWaalsContact C-CB 3.46Å
160V96.9Very high97.2Very high7 Ų722.9 Ų22.94%0.04211%0.113CC..  trans-161.2154.4-173.659.10000111.2H74 G157 H162 R178H74-V160 HydrophobicContact CB-CB 4.27Å; G157-V160 PolarHBondContact N-O 2.73Å; G157-V160 VanDerWaalsContact N-O 3.09Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.48Å; V160-H162 VanDerWaalsContact CG2-CE1 3.41Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.2Å; V160-H162 WeakPolarHBondContact CG2-NE2 3.35Å; V160-R178 HydrophobicContact CG2-CG 3.92Å
161T98.2Very high97.2Very high2 Ų222.6 Ų22.61%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-116.6137.5171.7-60.30000110.7M154 D155 S156 L179 L181 I275M154-T161 HydrophobicContact SD-CG2 4.03Å; D155-T161 CarbonylContact O-C 3.53Å; D155-T161 VanDerWaalsContact O-CA 3.27Å; D155-T161 WeakPolarHBondContact O-CA 3.27Å; S156-T161 WeakPolarHBondContact CB-OG1 3.46Å; S156-T161 PolarHBondContact OG-OG1 2.85Å; T161-L179 PolarHBondContact N-O 3.11Å; T161-L179 PolarHBondContact O-N 3.17Å; T161-L181 WeakPolarHBondContact CB-O 3.3Å; T161-L181 PolarHBondContact OG1-O 3.09Å; T161-I275 HydrophobicContact CG2-CG2 3.87Å
162H97.6Very high97.1Very high1 Ų124.1 Ų24.11%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-132.1146.5177.6-56.9102.7000111.6P110 M154 D155 V160 V164 L177P110-H162 HydrophobicContact CG-CB 3.84Å; P110-H162 VanDerWaalsContact CG-CD2 3.47Å; P110-H162 WeakPolarHBondContact CG-CD2 3.39Å; P110-H162 VanDerWaalsContact CG-CG 3.49Å; M154-H162 WeakPolarHBondContact CA-O 3.25Å; D155-H162 PolarHBondContact N-O 2.96Å; D155-H162 PolarHBondContact O-N 2.92Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.48Å; V160-H162 VanDerWaalsContact CG2-CE1 3.41Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.2Å; V160-H162 WeakPolarHBondContact CG2-NE2 3.35Å; H162-V164 HydrophobicContact CB-CG2 4.07Å; H162-L177 WeakPolarHBondContact CA-O 3.33Å
163T98.4Very high97Very high1 Ų128.1 Ų28.11%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-113.1119163.759.70000108.7V153 M154 I176 L177 T278 T279 S282V153-T163 CarbonylContact O-C 3.59Å; V153-T163 WeakPolarHBondContact O-CA 3.35Å; M154-T163 HydrophobicContact CB-CG2 4.47Å; M154-T163 HydrophobicContact CG-CG2 4.08Å; T163-I176 WeakPolarHBondContact O-CA 3.49Å; T163-L177 PolarHBondContact N-O 3.4Å; T163-L177 PolarHBondContact O-N 2.81Å; T163-L177 VanDerWaalsContact O-N 3.08Å; T163-L177 WeakPolarHBondContact OG1-CB 3.47Å; T163-T278 HydrophobicContact CG2-CG2 3.96Å; T163-T278 PolarHBondContact OG1-O 3.19Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.36Å; T163-S282 WeakPolarHBondContact OG1-CB 3.3Å
164V98.5Very high96.8Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-124.8103.1-173-173.10000108.7P110 A139 V153 H162 I166 A171 I176P110-V164 HydrophobicContact CB-CG2 4.1Å; P110-V164 HydrophobicContact CG-CG2 3.82Å; A139-V164 HydrophobicContact CB-CB 3.54Å; A139-V164 HydrophobicContact CB-CG1 3.92Å; A139-V164 HydrophobicContact CB-CG2 3.47Å; A139-V164 VanDerWaalsContact CB-CG2 3.47Å; V153-V164 PolarHBondContact N-O 3.38Å; V153-V164 PolarHBondContact O-N 3.13Å; H162-V164 HydrophobicContact CB-CG2 4.07Å; V164-I166 HydrophobicContact CG1-CD1 4.31Å; V164-I166 HydrophobicContact CG1-CG1 3.99Å; V164-A171 HydrophobicContact CG1-CB 3.88Å; V164-I176 HydrophobicContact CG1-CD1 4.09Å; V164-I176 HydrophobicContact CG1-CG1 4.06Å; V164-I176 HydrophobicContact CG2-CG2 4.31Å
165P98.6Very high96.8Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-77.1133.817228.1-25.1000109.3I152 L172 A175 S282 C286 L294I152-P165 HydrophobicContact CD1-CB 4.3Å; I152-P165 HydrophobicContact CG1-CB 4.33Å; P165-L172 HydrophobicContact CB-CD1 4.29Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 2.68Å; P165-A175 HydrophobicContact CG-CB 3.52Å; P165-S282 WeakPolarHBondContact CD-OG 3.38Å; P165-S282 WeakPolarHBondContact CG-OG 3.32Å; P165-C286 VanDerWaalsContact CB-SG 3.58Å; P165-L294 HydrophobicContact CB-CD1 4.06Å; P165-L294 HydrophobicContact CB-CD2 4.3Å
166I98.4Very high96.8Very high0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-131.1132.2-173.9-60.8154.3000107.6V140 L143 T149 T150 G151 V153 V164 Y170 A171V140-I166 HydrophobicContact CB-CD1 4.46Å; V140-I166 HydrophobicContact CG2-CD1 4.02Å; V140-I166 HydrophobicContact CG2-CG1 4.15Å; L143-I166 HydrophobicContact CB-CD1 3.94Å; L143-I166 HydrophobicContact CD2-CB 3.73Å; L143-I166 HydrophobicContact CD2-CD1 3.84Å; L143-I166 HydrophobicContact CD2-CG1 4.41Å; L143-I166 HydrophobicContact CD2-CG2 3.6Å; L143-I166 HydrophobicContact CG-CD1 4.46Å; T149-I166 WeakPolarHBondContact O-CG2 3.26Å; T150-I166 WeakPolarHBondContact CA-O 3.13Å; G151-I166 PolarHBondContact N-O 2.92Å; G151-I166 PolarHBondContact O-N 3.18Å; V153-I166 HydrophobicContact CG2-CD1 3.95Å; V164-I166 HydrophobicContact CG1-CD1 4.31Å; V164-I166 HydrophobicContact CG1-CG1 3.99Å; I166-Y170 CarbonylContact C-O 3.56Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.35Å; I166-A171 HydrophobicContact CG1-CB 4.36Å
167Y97.2Very high96.8Very high78 Ų7835.4 Ų35.431%0.30618%0.181SC..EExtended strand (participates in β ladder)trans-129.2124.2178.1-176.5-95.5000109.2T150 G169 Y170 I290T150-Y167 HydrophobicContact CG2-CD2 3.71Å; T150-Y167 HydrophobicContact CG2-CE2 4.27Å; Y167-G169 PolarHBondContact O-N 3.29Å; Y167-G169 VanDerWaalsContact O-N 3.12Å; Y167-Y170 PolarHBondContact N-O 3.34Å; Y167-Y170 PolarHBondContact O-N 2.89Å; Y167-I290 HydrophobicContact CD2-CB 4.01Å; Y167-I290 HydrophobicContact CD2-CD1 4.32Å; Y167-I290 HydrophobicContact CD2-CG2 3.56Å; Y167-I290 HydrophobicContact CE2-CB 4.23Å; Y167-I290 HydrophobicContact CE2-CG2 3.44Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.44Å; Y167-I290 HydrophobicContact CG-CG2 4.35Å
168E94.5Very high96.7Very high117 Ų11738.9 Ų38.955%0.54719%0.188SC..THydrogen-bonded Turntrans50.637.2-179.4-66.6179.6-171.700113.7T149 T150 Y170T149-E168 PolarHBondContact O-N 3.33Å; T150-E168 PolarHBondContact OG1-N 2.96Å; E168-Y170 VanDerWaalsContact C-N 3.34Å; E168-Y170 WeakPolarHBondContact O-CD2 3.27Å
169G92.4Very high96.7Very high14 Ų1437.5 Ų37.514%0.14418%0.18CC..THydrogen-bonded Turntrans87.4-7179.500000115T149 Y167T149-G169 PolarHBondContact O-N 3.5Å; Y167-G169 PolarHBondContact O-N 3.29Å; Y167-G169 VanDerWaalsContact O-N 3.12Å
170Y93.5Very high96.6Very high161 Ų16140.6 Ų40.663%0.63120%0.196SC*.EExtended strand (participates in β ladder)trans-101.2124.8179.8-61.7-83.7000111.3I166 Y167 E168I166-Y170 CarbonylContact C-O 3.56Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.35Å; Y167-Y170 PolarHBondContact N-O 3.34Å; Y167-Y170 PolarHBondContact O-N 2.89Å; E168-Y170 VanDerWaalsContact C-N 3.34Å; E168-Y170 WeakPolarHBondContact O-CD2 3.27Å
171A96.4Very high96.6Very high17 Ų1740.3 Ų40.314%0.1419%0.194CC..EExtended strand (participates in β ladder)trans-66.4142.517000000110.1I137 V140 V164 I166 P173 I176I137-A171 HydrophobicContact CD1-CB 4.18Å; V140-A171 HydrophobicContact CG2-CB 4.05Å; V164-A171 HydrophobicContact CG1-CB 3.88Å; I166-A171 HydrophobicContact CG1-CB 4.36Å; A171-P173 WeakPolarHBondContact O-CD 2.98Å; A171-I176 HydrophobicContact CB-CD1 4.49Å
172L96.9Very high96.6Very high32 Ų3240.2 Ų40.217%0.16819%0.194CC..  trans-98.295.4179.5-55.3177000110.2P165 H174 A175 I176 C286 I290P165-L172 HydrophobicContact CB-CD1 4.29Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 2.68Å; L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.32Å; L172-H174 VanDerWaalsContact O-N 3.16Å; L172-A175 HydrophobicContact CB-CB 4.45Å; L172-A175 PolarHBondContact O-N 2.81Å; L172-I176 PolarHBondContact O-N 3.42Å; L172-C286 HydrophobicContact CD1-CB 4.5Å; L172-I290 HydrophobicContact CD1-CD1 3.52Å
173P95.8Very high96.6Very high85 Ų8540.2 Ų40.255%0.55219%0.194SC*.G310 helixtrans-65.1-31.8-163.1-23.236.7000114A171 A175 I176A171-P173 WeakPolarHBondContact O-CD 2.98Å; P173-A175 PolarHBondContact O-N 2.81Å; P173-I176 PolarHBondContact O-N 3.42Å
174H96.2Very high96.5Very high117 Ų11742.4 Ų42.454%0.54220%0.202SC..G310 helixtrans-67.3-19.517965.1-86.9000113.5L172L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.32Å; L172-H174 VanDerWaalsContact O-N 3.16Å
175A98Very high96.5Very high0 Ų044.6 Ų44.60%021%0.214CC..G310 helixtrans-110.62.7-177.600000113P165 L172 P173 L177 S282 K285 C286P165-A175 HydrophobicContact CG-CB 3.52Å; L172-A175 HydrophobicContact CB-CB 4.45Å; L172-A175 PolarHBondContact O-N 2.81Å; P173-A175 PolarHBondContact O-N 2.81Å; A175-L177 PolarHBondContact O-N 2.92Å; A175-S282 WeakPolarHBondContact O-CB 3.46Å; A175-S282 PolarHBondContact O-OG 2.92Å; A175-K285 HydrophobicContact CB-CB 3.72Å; A175-C286 VanDerWaalsContact CB-SG 3.56Å
176I98.3Very high96.5Very high16 Ų1644.6 Ų44.68%0.08221%0.214CC..  trans-70.4127.8171.2-63175.6000109P110 L111 T163 V164 A171 L172 P173P110-I176 HydrophobicContact CB-CD1 3.92Å; P110-I176 HydrophobicContact CB-CG2 4.02Å; P110-I176 HydrophobicContact CG-CG2 4.22Å; L111-I176 HydrophobicContact CD1-CG2 4.08Å; L111-I176 HydrophobicContact CD2-CD1 4.39Å; L111-I176 HydrophobicContact CG-CG2 4.24Å; T163-I176 WeakPolarHBondContact O-CA 3.49Å; V164-I176 HydrophobicContact CG1-CD1 4.09Å; V164-I176 HydrophobicContact CG1-CG1 4.06Å; V164-I176 HydrophobicContact CG2-CG2 4.31Å; A171-I176 HydrophobicContact CB-CD1 4.49Å; L172-I176 PolarHBondContact O-N 3.42Å; P173-I176 PolarHBondContact O-N 3.42Å
177L98Very high96.5Very high33 Ų3344.6 Ų44.617%0.17321%0.214CC..EExtended strand (participates in β ladder)trans-115.4144.2170.3-54179.9000110H162 T163 A175 T278 N281 K285H162-L177 WeakPolarHBondContact CA-O 3.33Å; T163-L177 PolarHBondContact N-O 3.4Å; T163-L177 PolarHBondContact O-N 2.81Å; T163-L177 VanDerWaalsContact O-N 3.08Å; T163-L177 WeakPolarHBondContact OG1-CB 3.47Å; A175-L177 PolarHBondContact O-N 2.92Å; L177-T278 HydrophobicContact CB-CG2 3.73Å; L177-T278 HydrophobicContact CD1-CG2 4.02Å; L177-T278 WeakPolarHBondContact CD1-O 3.45Å; L177-N281 HydrophobicContact CD1-CB 3.78Å; L177-K285 HydrophobicContact CD2-CD 4.1Å; L177-K285 VanDerWaalsContact CD2-NZ 3.34Å
178R95.4Very high96.5Very high93 Ų9344.2 Ų44.235%0.35122%0.217SC..EExtended strand (participates in β ladder)trans-120.7138.1-179.4174.6174165.3155.6-2.2109.1H74 V160 D180H74-R178 PolarHBondContact O-NH2 3.5Å; V160-R178 HydrophobicContact CG2-CG 3.92Å; R178-D180 IonicContact CZ-OD1 2.63Å; R178-D180 IonicContact NE-OD1 3.21Å; R178-D180 PolarHBondContact NE-OD1 3.39Å; R178-D180 IonicContact NE-OD2 3.27Å; R178-D180 IonicContact NH2-OD1 3.1Å; R178-D180 PolarHBondContact NH2-OD1 3.44Å; R178-D180 IonicContact NH2-OD2 2.83Å
179L95.2Very high96.6Very high9 Ų939.5 Ų39.55%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-128.6114.8173.4179.170000107.8T161 L181 M270 I275T161-L179 PolarHBondContact N-O 3.11Å; T161-L179 PolarHBondContact O-N 3.17Å; L179-L181 HydrophobicContact CD1-CB 4.32Å; L179-L181 HydrophobicContact CD2-CB 3.9Å; L179-L181 HydrophobicContact CD2-CD2 4.23Å; L179-L181 HydrophobicContact CD2-CG 4.49Å; L179-L181 HydrophobicContact CG-CB 3.74Å; L179-L181 PolarHBondContact O-N 3.19Å; L179-M270 HydrophobicContact CD1-CE 4.33Å; L179-I275 HydrophobicContact CD2-CG2 4.22Å
180D94Very high96.9Very high70 Ų7038.9 Ų38.937%0.37419%0.188SC..SBendtrans-76.857174.7-70.2-25000110.3R178R178-D180 IonicContact CZ-OD1 2.63Å; R178-D180 IonicContact NE-OD1 3.21Å; R178-D180 PolarHBondContact NE-OD1 3.39Å; R178-D180 IonicContact NE-OD2 3.27Å; R178-D180 IonicContact NH2-OD1 3.1Å; R178-D180 PolarHBondContact NH2-OD1 3.44Å; R178-D180 IonicContact NH2-OD2 2.83Å
181L97Very high97.2Very high0 Ų032.5 Ų32.50%016%0.164CC..  trans-142121.2175.5173.355.3000108.5T161 L179 D185 L186 A261 I262 P265 L268 M270T161-L181 WeakPolarHBondContact CB-O 3.3Å; T161-L181 PolarHBondContact OG1-O 3.09Å; L179-L181 HydrophobicContact CD1-CB 4.32Å; L179-L181 HydrophobicContact CD2-CB 3.9Å; L179-L181 HydrophobicContact CD2-CD2 4.23Å; L179-L181 HydrophobicContact CD2-CG 4.49Å; L179-L181 HydrophobicContact CG-CB 3.74Å; L179-L181 PolarHBondContact O-N 3.19Å; L181-D185 HydrophobicContact CD1-CB 3.61Å; L181-L186 HydrophobicContact CD1-CD2 4.5Å; L181-A261 VanDerWaalsContact CD2-O 3.32Å; L181-A261 WeakPolarHBondContact CD2-O 3.41Å; L181-I262 HydrophobicContact CD2-CG2 4.32Å; L181-I262 HydrophobicContact CG-CG2 4.28Å; L181-P265 HydrophobicContact CD2-CB 4.02Å; L181-P265 HydrophobicContact CD2-CG 3.98Å; L181-L268 HydrophobicContact CD1-CD1 3.22Å; L181-L268 HydrophobicContact CD2-CD1 4.11Å; L181-L268 HydrophobicContact CG-CD1 4.3Å; L181-M270 HydrophobicContact CB-CE 4.09Å; L181-M270 HydrophobicContact CB-SD 4.06Å; L181-M270 HydrophobicContact CD1-SD 4.28Å; L181-M270 HydrophobicContact CD2-SD 4.22Å; L181-M270 HydrophobicContact CG-SD 4.41Å
182A97.9Very high97.2Very high0 Ų037.5 Ų37.50%018%0.183CC..SBendtrans-158.1-161.8-176.900000112.9G157 D158 G159 R184 D185 L186G157-A182 WeakPolarHBondContact O-CB 3.36Å; D158-A182 WeakPolarHBondContact O-CB 3.32Å; G159-A182 VanDerWaalsContact C-CB 3.46Å; A182-R184 PolarHBondContact O-N 3.07Å; A182-R184 VanDerWaalsContact O-N 3.15Å; A182-D185 PolarHBondContact N-OD2 2.9Å; A182-D185 PolarHBondContact O-N 2.89Å; A182-L186 WeakPolarHBondContact O-CG 3.1Å; A182-L186 PolarHBondContact O-N 3.15Å; A182-L186 VanDerWaalsContact O-N 3.08Å
183G97.9Very high97.2Very high1 Ų136 Ų361%0.0118%0.175CC..Hα-helixtrans-55.3-34-17300000114.7G157 D158 T187 K214 T304G157-G183 PolarHBondContact O-N 3.02Å; G157-G183 VanDerWaalsContact O-N 3.15Å; D158-G183 PolarHBondContact O-N 3Å; D158-G183 VanDerWaalsContact O-N 3.16Å; G183-T187 PolarHBondContact O-N 2.91Å; G183-T187 VanDerWaalsContact O-N 3.09Å; G183-T187 PolarHBondContact O-OG1 3.24Å; G183-K214 PolarHBondContact O-NZ 2.93Å; G183-T304 WeakPolarHBondContact CA-OG1 3.47Å; G183-T304 PolarHBondContact N-OG1 2.93Å
184R96.8Very high97.4Very high48 Ų4832 Ų3218%0.18115%0.148CC..Hα-helixtrans-66.5-50.9179.9-168.8171.1-64.5176.33.9110.9S15 D158 A182 L186 T187 D188 R207S15-R184 PolarHBondContact O-NH2 3.34Å; S15-R184 VanDerWaalsContact O-NH2 3.1Å; D158-R184 VanDerWaalsContact O-CB 3.27Å; D158-R184 WeakPolarHBondContact O-CB 3.39Å; D158-R184 PolarHBondContact O-N 3.34Å; D158-R184 PolarHBondContact OD1-N 2.98Å; D158-R184 IonicContact OD2-CZ 3.19Å; D158-R184 IonicContact OD2-NE 2.74Å; D158-R184 PolarHBondContact OD2-NE 2.9Å; D158-R184 IonicContact OD2-NH2 2.78Å; D158-R184 PolarHBondContact OD2-NH2 2.83Å; A182-R184 PolarHBondContact O-N 3.07Å; A182-R184 VanDerWaalsContact O-N 3.15Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 2.96Å; R184-T187 VanDerWaalsContact O-CB 3.3Å; R184-T187 WeakPolarHBondContact O-CB 3.37Å; R184-T187 PolarHBondContact O-N 3.32Å; R184-D188 PolarHBondContact O-N 3.21Å; R184-D188 VanDerWaalsContact O-N 3.12Å; R184-R207 PolarHBondContact O-NH2 2.94Å
185D97.8Very high97.4Very high46 Ų4629.4 Ų29.425%0.24614%0.141CC..Hα-helixtrans-62.9-39.4179.1-45.7-71.9000111.3L181 A182 T187 D188 Y189L181-D185 HydrophobicContact CD1-CB 3.61Å; A182-D185 PolarHBondContact N-OD2 2.9Å; A182-D185 PolarHBondContact O-N 2.89Å; D185-T187 VanDerWaalsContact C-N 3.26Å; D185-T187 PolarHBondContact O-N 3.29Å; D185-D188 PolarHBondContact O-N 3.27Å; D185-Y189 WeakPolarHBondContact O-CB 3.28Å; D185-Y189 PolarHBondContact O-N 3.26Å
186L98.5Very high97.3Very high0 Ų034.7 Ų34.70%017%0.166CC..Hα-helixtrans-63.8-32.9175.4-66.2-176.3000112.5L181 A182 R184 L190 K214 C258 A261 I262 T304 Y307L181-L186 HydrophobicContact CD1-CD2 4.5Å; A182-L186 WeakPolarHBondContact O-CG 3.1Å; A182-L186 PolarHBondContact O-N 3.15Å; A182-L186 VanDerWaalsContact O-N 3.08Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 2.96Å; L186-L190 WeakPolarHBondContact O-CB 3.41Å; L186-L190 PolarHBondContact O-N 2.92Å; L186-K214 HydrophobicContact CB-CD 3.94Å; L186-C258 WeakPolarHBondContact CD2-O 3.24Å; L186-C258 PolarHBondContact O-SG 3.31Å; L186-A261 HydrophobicContact CD2-CB 3.81Å; L186-I262 HydrophobicContact CD1-CG2 3.88Å; L186-I262 HydrophobicContact CD2-CG2 4.16Å; L186-I262 HydrophobicContact CG-CG2 4.35Å; L186-T304 HydrophobicContact CD1-CG2 3.78Å; L186-Y307 HydrophobicContact CD1-CE2 3.86Å
187T98.2Very high97Very high0 Ų037.8 Ų37.80%018%0.176CC..Hα-helixtrans-67.5-44.9174.7-51.90000110.3G183 R184 D185 Y189 L190 M191 R207 V210 R211 K214G183-T187 PolarHBondContact O-N 2.91Å; G183-T187 VanDerWaalsContact O-N 3.09Å; G183-T187 PolarHBondContact O-OG1 3.24Å; R184-T187 VanDerWaalsContact O-CB 3.3Å; R184-T187 WeakPolarHBondContact O-CB 3.37Å; R184-T187 PolarHBondContact O-N 3.32Å; D185-T187 VanDerWaalsContact C-N 3.26Å; D185-T187 PolarHBondContact O-N 3.29Å; T187-Y189 VanDerWaalsContact C-N 3.33Å; T187-Y189 PolarHBondContact O-N 3.17Å; T187-L190 PolarHBondContact O-N 3.06Å; T187-M191 WeakPolarHBondContact O-CG 3.48Å; T187-M191 PolarHBondContact O-N 2.97Å; T187-R207 HydrophobicContact CG2-CG 4.12Å; T187-V210 HydrophobicContact CG2-CB 4.39Å; T187-V210 HydrophobicContact CG2-CG1 4.26Å; T187-R211 HydrophobicContact CG2-CB 3.9Å; T187-K214 VanDerWaalsContact OG1-CE 3.3Å; T187-K214 WeakPolarHBondContact OG1-CE 3.39Å; T187-K214 PolarHBondContact OG1-NZ 2.81Å
188D97.4Very high96.9Very high69 Ų6939.1 Ų39.137%0.36920%0.198SC..Hα-helixtrans-67.3-36.5179-61.7-35.1000111.4R184 D185 M191 K192 R207R184-D188 PolarHBondContact O-N 3.21Å; R184-D188 VanDerWaalsContact O-N 3.12Å; D185-D188 PolarHBondContact O-N 3.27Å; D188-M191 WeakPolarHBondContact O-CB 3.32Å; D188-M191 PolarHBondContact O-N 3.02Å; D188-K192 PolarHBondContact O-N 3.42Å; D188-K192 VanDerWaalsContact O-N 3.14Å; D188-R207 VanDerWaalsContact CG-NH2 3.26Å; D188-R207 IonicContact OD1-CZ 2.72Å; D188-R207 VanDerWaalsContact OD1-CZ 3.25Å; D188-R207 IonicContact OD1-NE 2.97Å; D188-R207 PolarHBondContact OD1-NE 2.66Å; D188-R207 IonicContact OD1-NH2 3.62Å; D188-R207 PolarHBondContact OD1-NH2 3.07Å; D188-R207 IonicContact OD2-CZ 3.75Å; D188-R207 IonicContact OD2-NE 2.95Å; D188-R207 IonicContact OD2-NH2 3.84Å; D188-R207 PolarHBondContact OD2-NH2 2.85Å
189Y98.2Very high97Very high19 Ų1937.7 Ų37.78%0.07519%0.193CC..Hα-helixtrans-64.3-42.6171.9-178.4-133.7000112.4D185 T187 M191 K192 I193 C258 A261 L268D185-Y189 WeakPolarHBondContact O-CB 3.28Å; D185-Y189 PolarHBondContact O-N 3.26Å; T187-Y189 VanDerWaalsContact C-N 3.33Å; T187-Y189 PolarHBondContact O-N 3.17Å; Y189-M191 VanDerWaalsContact C-N 3.3Å; Y189-M191 PolarHBondContact O-N 3.03Å; Y189-K192 WeakPolarHBondContact O-CB 3.26Å; Y189-K192 PolarHBondContact O-N 3.47Å; Y189-K192 VanDerWaalsContact O-N 3.12Å; Y189-I193 HydrophobicContact CD2-CG2 4.08Å; Y189-I193 HydrophobicContact CE1-CD1 4.26Å; Y189-I193 HydrophobicContact CE1-CG2 4.45Å; Y189-I193 HydrophobicContact CE2-CG2 3.51Å; Y189-I193 PolarHBondContact O-N 2.86Å; Y189-C258 HydrophobicContact CD1-CB 4.44Å; Y189-A261 HydrophobicContact CD1-CB 4.04Å; Y189-A261 HydrophobicContact CE1-CB 4.08Å; Y189-L268 VanDerWaalsContact CB-CD2 3.43Å; Y189-L268 HydrophobicContact CD1-CD2 3.88Å; Y189-L268 HydrophobicContact CD2-CD2 3.39Å; Y189-L268 HydrophobicContact CE2-CD2 4.08Å; Y189-L268 HydrophobicContact CG-CD2 3.28Å
190L98.5Very high96.9Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-61.9-40.6176.2-174.959.4000111L186 T187 K192 I193 L194 V210 I213 K214 E254 C258L186-L190 WeakPolarHBondContact O-CB 3.41Å; L186-L190 PolarHBondContact O-N 2.92Å; T187-L190 PolarHBondContact O-N 3.06Å; L190-K192 VanDerWaalsContact C-N 3.27Å; L190-K192 PolarHBondContact O-N 3.5Å; L190-I193 HydrophobicContact CD1-CD1 3.94Å; L190-I193 HydrophobicContact CD1-CG1 3.97Å; L190-I193 WeakPolarHBondContact O-CG1 3.5Å; L190-I193 PolarHBondContact O-N 2.84Å; L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CD2 4.4Å; L190-L194 HydrophobicContact CD1-CG 3.95Å; L190-L194 HydrophobicContact CD2-CD1 4.43Å; L190-L194 HydrophobicContact CG-CD1 3.81Å; L190-L194 HydrophobicContact CG-CG 4.11Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.27Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.91Å; L190-V210 HydrophobicContact CB-CG1 3.75Å; L190-V210 HydrophobicContact CD2-CG1 3.7Å; L190-V210 HydrophobicContact CG-CG1 3.63Å; L190-I213 HydrophobicContact CD2-CB 4.47Å; L190-I213 HydrophobicContact CD2-CG2 4.08Å; L190-K214 HydrophobicContact CD2-CB 3.61Å; L190-K214 HydrophobicContact CD2-CG 4.27Å; L190-E254 HydrophobicContact CD1-CB 3.93Å; L190-C258 HydrophobicContact CB-CB 4.34Å; L190-C258 HydrophobicContact CD1-CB 4.02Å
191M98.1Very high97Very high27 Ų2738.1 Ų38.113%0.13320%0.201CC..Hα-helixtrans-56.5-42.9173.5-68.6174.668.300111.6T187 D188 Y189 T195 F201 R207 V210T187-M191 WeakPolarHBondContact O-CG 3.48Å; T187-M191 PolarHBondContact O-N 2.97Å; D188-M191 WeakPolarHBondContact O-CB 3.32Å; D188-M191 PolarHBondContact O-N 3.02Å; Y189-M191 VanDerWaalsContact C-N 3.3Å; Y189-M191 PolarHBondContact O-N 3.03Å; M191-T195 PolarHBondContact O-N 3.24Å; M191-T195 PolarHBondContact O-OG1 2.81Å; M191-F201 HydrophobicContact CE-CB 4.11Å; M191-F201 WeakPolarHBondContact CE-O 3.35Å; M191-R207 HydrophobicContact CE-CB 4.29Å; M191-R207 HydrophobicContact SD-CB 3.89Å; M191-R207 HydrophobicContact SD-CG 3.66Å; M191-V210 HydrophobicContact CG-CB 3.8Å; M191-V210 HydrophobicContact CG-CG1 3.67Å; M191-V210 HydrophobicContact CG-CG2 3.77Å
192K97.5Very high96.8Very high123 Ų12343.4 Ų43.454%0.53523%0.233SC..Hα-helixtrans-62.5-52.5178.1-178.3-174.8172.8-174.90111.8D188 Y189 L190 L194 T195 E196D188-K192 PolarHBondContact O-N 3.42Å; D188-K192 VanDerWaalsContact O-N 3.14Å; Y189-K192 WeakPolarHBondContact O-CB 3.26Å; Y189-K192 PolarHBondContact O-N 3.47Å; Y189-K192 VanDerWaalsContact O-N 3.12Å; L190-K192 VanDerWaalsContact C-N 3.27Å; L190-K192 PolarHBondContact O-N 3.5Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 2.91Å; K192-T195 WeakPolarHBondContact O-CA 3.38Å; K192-T195 VanDerWaalsContact O-CB 3.32Å; K192-T195 WeakPolarHBondContact O-CB 3.43Å; K192-T195 PolarHBondContact O-N 3.29Å; K192-T195 VanDerWaalsContact O-N 3.1Å; K192-E196 PolarHBondContact O-N 3.15Å
193I97.6Very high96.5Very high0 Ų046.6 Ų46.60%025%0.252CS..Hα-helixtrans-73.3-24.9-176.965.7-177.3000112.8Y189 L190 T195 E196 R197 E254 R257 C258Y189-I193 HydrophobicContact CD2-CG2 4.08Å; Y189-I193 HydrophobicContact CE1-CD1 4.26Å; Y189-I193 HydrophobicContact CE1-CG2 4.45Å; Y189-I193 HydrophobicContact CE2-CG2 3.51Å; Y189-I193 PolarHBondContact O-N 2.86Å; L190-I193 HydrophobicContact CD1-CD1 3.94Å; L190-I193 HydrophobicContact CD1-CG1 3.97Å; L190-I193 WeakPolarHBondContact O-CG1 3.5Å; L190-I193 PolarHBondContact O-N 2.84Å; I193-T195 VanDerWaalsContact C-N 3.34Å; I193-E196 WeakPolarHBondContact O-CB 3.29Å; I193-E196 PolarHBondContact O-N 3.23Å; I193-R197 PolarHBondContact O-N 2.91Å; I193-E254 HydrophobicContact CB-CG 4.24Å; I193-E254 HydrophobicContact CD1-CB 3.7Å; I193-E254 HydrophobicContact CD1-CG 4.03Å; I193-E254 HydrophobicContact CG1-CB 3.93Å; I193-E254 HydrophobicContact CG1-CG 3.83Å; I193-R257 HydrophobicContact CD1-CB 4.26Å; I193-C258 HydrophobicContact CD1-CB 4.06Å
194L98.2Very high96.1Very high0 Ų050.2 Ų50.20%027%0.274CS..Hα-helixtrans-68.1-36.2167.8-71.5175.3000111.6L190 K192 E196 R197 G198 Y199 F201 V210 I213 I251 E254L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CD2 4.4Å; L190-L194 HydrophobicContact CD1-CG 3.95Å; L190-L194 HydrophobicContact CD2-CD1 4.43Å; L190-L194 HydrophobicContact CG-CD1 3.81Å; L190-L194 HydrophobicContact CG-CG 4.11Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.27Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.91Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 2.91Å; L194-E196 VanDerWaalsContact C-N 3.34Å; L194-R197 WeakPolarHBondContact O-CB 3.48Å; L194-R197 PolarHBondContact O-N 2.74Å; L194-R197 VanDerWaalsContact O-N 3.15Å; L194-G198 PolarHBondContact O-N 3.42Å; L194-Y199 CarbonylContact C-O 3.14Å; L194-Y199 PolarHBondContact O-N 3.2Å; L194-F201 HydrophobicContact CB-CD2 4.35Å; L194-F201 HydrophobicContact CB-CE2 4.22Å; L194-F201 HydrophobicContact CD1-CD2 4.17Å; L194-F201 HydrophobicContact CD1-CE2 3.8Å; L194-V210 HydrophobicContact CD1-CG1 3.99Å; L194-V210 HydrophobicContact CD1-CG2 4.11Å; L194-I213 HydrophobicContact CD1-CD1 4.41Å; L194-I251 HydrophobicContact CD2-CD1 3.79Å; L194-I251 HydrophobicContact CD2-CG2 4.21Å; L194-E254 HydrophobicContact CD2-CB 4.4Å; L194-E254 HydrophobicContact CD2-CG 4.3Å
195T97.4Very high95.7Very high63 Ų6350.6 Ų50.639%0.38729%0.288SS..Hα-helixtrans-65.2-38.6173.9-57.40000111.2M191 K192 I193 R197 G198 Y199M191-T195 PolarHBondContact O-N 3.24Å; M191-T195 PolarHBondContact O-OG1 2.81Å; K192-T195 WeakPolarHBondContact O-CA 3.38Å; K192-T195 VanDerWaalsContact O-CB 3.32Å; K192-T195 WeakPolarHBondContact O-CB 3.43Å; K192-T195 PolarHBondContact O-N 3.29Å; K192-T195 VanDerWaalsContact O-N 3.1Å; I193-T195 VanDerWaalsContact C-N 3.34Å; T195-R197 PolarHBondContact O-N 2.83Å; T195-G198 WeakPolarHBondContact O-CA 3.47Å; T195-G198 PolarHBondContact O-N 3.4Å; T195-Y199 WeakPolarHBondContact CA-O 3.33Å; T195-Y199 PolarHBondContact N-O 3.45Å
196E95.1Very high95.6Very high111 Ų11151.2 Ų51.252%0.51929%0.29SS..Hα-helixtrans-58.3-34172.6-66.5168.6-16900112.2K192 I193 L194 G198 R257K192-E196 PolarHBondContact O-N 3.15Å; I193-E196 WeakPolarHBondContact O-CB 3.29Å; I193-E196 PolarHBondContact O-N 3.23Å; L194-E196 VanDerWaalsContact C-N 3.34Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-R257 IonicContact OE2-NH1 3.29Å; E196-R257 IonicContact OE2-NH2 2.73Å; E196-R257 PolarHBondContact OE2-NH2 3.47Å
197R93.1Very high95.4Very high81 Ų8153 Ų5331%0.30630%0.296SS..Hα-helixtrans-76.6-14.8174.6-163.4-179.2-175.497.83.1113.4I193 L194 T195 Y199 E238 T250 E254I193-R197 PolarHBondContact O-N 2.91Å; L194-R197 WeakPolarHBondContact O-CB 3.48Å; L194-R197 PolarHBondContact O-N 2.74Å; L194-R197 VanDerWaalsContact O-N 3.15Å; T195-R197 PolarHBondContact O-N 2.83Å; R197-Y199 HydrophobicContact CG-CD2 4.45Å; R197-Y199 HydrophobicContact CG-CE2 4.32Å; R197-E238 IonicContact CZ-OE1 3.24Å; R197-E238 IonicContact NH2-OE1 2.74Å; R197-E238 PolarHBondContact NH2-OE1 2.92Å; R197-T250 PolarHBondContact NE-O 3.26Å; R197-E254 WeakPolarHBondContact CD-OE1 3.2Å; R197-E254 IonicContact CZ-OE1 2.79Å; R197-E254 IonicContact CZ-OE2 3.94Å; R197-E254 IonicContact NH1-OE1 3.88Å; R197-E254 PolarHBondContact NH1-OE1 2.84Å; R197-E254 IonicContact NH1-OE2 3.6Å; R197-E254 PolarHBondContact NH1-OE2 2.87Å; R197-E254 VanDerWaalsContact NH1-OE2 3.08Å
198G95.9Very high95.2Very high61 Ų6154.5 Ų54.563%0.62930%0.303SS*.THydrogen-bonded Turntrans105.64.8-178.600000115.2L194 T195 E196L194-G198 PolarHBondContact O-N 3.42Å; T195-G198 WeakPolarHBondContact O-CA 3.47Å; T195-G198 PolarHBondContact O-N 3.4Å; E196-G198 VanDerWaalsContact C-N 3.3Å
199Y95.8Very high95.2Very high63 Ų6352.8 Ų52.825%0.24729%0.294CS..  trans-101.2102.2174-56.3-54.5000110.3L194 T195 R197 I249 T250L194-Y199 CarbonylContact C-O 3.14Å; L194-Y199 PolarHBondContact O-N 3.2Å; T195-Y199 WeakPolarHBondContact CA-O 3.33Å; T195-Y199 PolarHBondContact N-O 3.45Å; R197-Y199 HydrophobicContact CG-CD2 4.45Å; R197-Y199 HydrophobicContact CG-CE2 4.32Å; Y199-I249 HydrophobicContact CD1-CB 4.3Å; Y199-I249 HydrophobicContact CD1-CG2 3.8Å; Y199-I249 HydrophobicContact CD2-CB 4.35Å; Y199-I249 HydrophobicContact CE1-CB 3.89Å; Y199-I249 HydrophobicContact CE1-CG2 3.54Å; Y199-I249 HydrophobicContact CE2-CB 3.93Å; Y199-I249 HydrophobicContact CE2-CG2 4.46Å; Y199-I249 HydrophobicContact CG-CG2 4.37Å; Y199-T250 WeakPolarHBondContact CE2-O 3.39Å; Y199-T250 PolarHBondContact OH-N 2.68Å
200S95Very high95.2Very high72 Ų7251.9 Ų51.950%0.50329%0.29SS..  trans-92.4124.6-179.1-164.80000111.5T202S200-T202 WeakPolarHBondContact OG-CG2 3.41Å
201F95.2Very high95.2Very high17 Ų1755.3 Ų55.38%0.07530%0.303CS..  trans-118.2116.2173-63-82.4000106.8M191 L194 E206 I209 V210 I213 L243 I249M191-F201 HydrophobicContact CE-CB 4.11Å; M191-F201 WeakPolarHBondContact CE-O 3.35Å; L194-F201 HydrophobicContact CB-CD2 4.35Å; L194-F201 HydrophobicContact CB-CE2 4.22Å; L194-F201 HydrophobicContact CD1-CD2 4.17Å; L194-F201 HydrophobicContact CD1-CE2 3.8Å; F201-E206 HydrophobicContact CB-CB 3.92Å; F201-E206 HydrophobicContact CD1-CB 3.85Å; F201-E206 HydrophobicContact CD1-CG 4.14Å; F201-E206 HydrophobicContact CG-CB 4.38Å; F201-I209 HydrophobicContact CE1-CG2 4.3Å; F201-V210 HydrophobicContact CB-CG2 3.8Å; F201-V210 HydrophobicContact CD1-CG2 3.91Å; F201-V210 HydrophobicContact CD2-CG2 3.48Å; F201-V210 VanDerWaalsContact CD2-CG2 3.48Å; F201-V210 HydrophobicContact CE1-CG2 4.35Å; F201-V210 HydrophobicContact CE2-CG2 3.98Å; F201-V210 HydrophobicContact CG-CG2 3.44Å; F201-V210 VanDerWaalsContact CG-CG2 3.44Å; F201-V210 HydrophobicContact CZ-CG2 4.37Å; F201-I213 HydrophobicContact CZ-CD1 4.39Å; F201-L243 HydrophobicContact CE1-CD2 4.01Å; F201-L243 HydrophobicContact CZ-CD2 4.14Å; F201-I249 HydrophobicContact CZ-CD1 3.95Å
202T93.1Very high95.1Very high110 Ų11055.7 Ų55.768%0.67531%0.306SS*.  trans-121.4-24.6-169.8620000113.2S200 E206S200-T202 WeakPolarHBondContact OG-CG2 3.41Å; T202-E206 PolarHBondContact N-OE2 3.25Å; T202-E206 PolarHBondContact OG1-OE2 3.33Å
203T91.9Very high95.2Very high67 Ų6749.8 Ų49.841%0.41128%0.28SS..SBendtrans-91160.7-177.670.80000111.9A205 E206 R207T203-A205 PolarHBondContact O-N 2.92Å; T203-E206 PolarHBondContact N-OE2 2.7Å; T203-E206 PolarHBondContact O-N 3.48Å; T203-E206 WeakPolarHBondContact OG1-CB 3.43Å; T203-E206 VanDerWaalsContact OG1-CD 3.29Å; T203-E206 VanDerWaalsContact OG1-CG 3.22Å; T203-E206 WeakPolarHBondContact OG1-CG 3.27Å; T203-E206 PolarHBondContact OG1-N 2.91Å; T203-E206 VanDerWaalsContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 2.56Å; T203-E206 VanDerWaalsContact OG1-OE2 3.08Å; T203-R207 PolarHBondContact O-N 3.09Å
204T88.1Confident95.2Very high77 Ų7750.2 Ų50.247%0.47228%0.282SS..THydrogen-bonded Turntrans-69-18175.758.80000113.6R63R63-T204 PolarHBondContact NH1-O 3.42Å
205A90Very high95.2Very high57 Ų5755.7 Ų55.747%0.47131%0.307SS..THydrogen-bonded Turntrans-79.6-44.4172.700000110.5T203 R207 E208 I209T203-A205 PolarHBondContact O-N 2.92Å; A205-R207 PolarHBondContact O-N 2.8Å; A205-E208 WeakPolarHBondContact O-CB 3.46Å; A205-E208 PolarHBondContact O-N 3.13Å; A205-I209 PolarHBondContact O-N 2.85Å
206E94.3Very high95.3Very high59 Ų5959.1 Ų59.128%0.27632%0.317SS..Hα-helixtrans-60.5-34.5173.8-78167.4167.400112.5F201 T202 T203 E208 I209 V210F201-E206 HydrophobicContact CB-CB 3.92Å; F201-E206 HydrophobicContact CD1-CB 3.85Å; F201-E206 HydrophobicContact CD1-CG 4.14Å; F201-E206 HydrophobicContact CG-CB 4.38Å; T202-E206 PolarHBondContact N-OE2 3.25Å; T202-E206 PolarHBondContact OG1-OE2 3.33Å; T203-E206 PolarHBondContact N-OE2 2.7Å; T203-E206 PolarHBondContact O-N 3.48Å; T203-E206 WeakPolarHBondContact OG1-CB 3.43Å; T203-E206 VanDerWaalsContact OG1-CD 3.29Å; T203-E206 VanDerWaalsContact OG1-CG 3.22Å; T203-E206 WeakPolarHBondContact OG1-CG 3.27Å; T203-E206 PolarHBondContact OG1-N 2.91Å; T203-E206 VanDerWaalsContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 2.56Å; T203-E206 VanDerWaalsContact OG1-OE2 3.08Å; E206-E208 PolarHBondContact O-N 3.01Å; E206-I209 HydrophobicContact CG-CD1 4.5Å; E206-I209 WeakPolarHBondContact O-CA 3.14Å; E206-I209 VanDerWaalsContact O-CB 3.29Å; E206-I209 WeakPolarHBondContact O-CB 3.39Å; E206-I209 PolarHBondContact O-N 3.08Å; E206-V210 PolarHBondContact O-N 3.15Å
207R94.9Very high95.4Very high37 Ų3755.1 Ų55.114%0.1430%0.299CS..Hα-helixtrans-55.2-34.3171.2-176.5175.7-169-70-7.3113.3R184 T187 D188 M191 T203 A205 V210 R211R184-R207 PolarHBondContact O-NH2 2.94Å; T187-R207 HydrophobicContact CG2-CG 4.12Å; D188-R207 VanDerWaalsContact CG-NH2 3.26Å; D188-R207 IonicContact OD1-CZ 2.72Å; D188-R207 VanDerWaalsContact OD1-CZ 3.25Å; D188-R207 IonicContact OD1-NE 2.97Å; D188-R207 PolarHBondContact OD1-NE 2.66Å; D188-R207 IonicContact OD1-NH2 3.62Å; D188-R207 PolarHBondContact OD1-NH2 3.07Å; D188-R207 IonicContact OD2-CZ 3.75Å; D188-R207 IonicContact OD2-NE 2.95Å; D188-R207 IonicContact OD2-NH2 3.84Å; D188-R207 PolarHBondContact OD2-NH2 2.85Å; M191-R207 HydrophobicContact CE-CB 4.29Å; M191-R207 HydrophobicContact SD-CB 3.89Å; M191-R207 HydrophobicContact SD-CG 3.66Å; T203-R207 PolarHBondContact O-N 3.09Å; A205-R207 PolarHBondContact O-N 2.8Å; R207-V210 PolarHBondContact O-N 3.09Å; R207-R211 PolarHBondContact O-N 3.02Å
208E94.6Very high95.7Very high31 Ų3151.4 Ų51.415%0.14529%0.286CS..Hα-helixtrans-73.4-31.4177.1-61.5-64.1152.300112.2Q60 R63 A205 E206 V210 R211 D212Q60-E208 VanDerWaalsContact NE2-CD 3.26Å; Q60-E208 VanDerWaalsContact NE2-CG 3.31Å; R63-E208 IonicContact CZ-OE1 3.59Å; R63-E208 IonicContact NH1-OE1 3.3Å; R63-E208 PolarHBondContact NH1-OE1 2.91Å; R63-E208 IonicContact NH2-OE1 3.01Å; R63-E208 PolarHBondContact NH2-OE1 3.43Å; A205-E208 WeakPolarHBondContact O-CB 3.46Å; A205-E208 PolarHBondContact O-N 3.13Å; E206-E208 PolarHBondContact O-N 3.01Å; E208-V210 VanDerWaalsContact C-N 3.31Å; E208-R211 PolarHBondContact O-N 3.02Å; E208-R211 IonicContact OE2-CZ 3.59Å; E208-R211 IonicContact OE2-NE 3.19Å; E208-R211 PolarHBondContact OE2-NE 2.89Å; E208-R211 IonicContact OE2-NH2 3.55Å; E208-D212 PolarHBondContact O-N 2.71Å
209I96.7Very high95.8Very high33 Ų3350.1 Ų50.117%0.16926%0.262CS..Hα-helixtrans-62.6-44.8170.6-55.4173.3000108.9F201 A205 E206 R211 D212 I213 Y241 L243 P244F201-I209 HydrophobicContact CE1-CG2 4.3Å; A205-I209 PolarHBondContact O-N 2.85Å; E206-I209 HydrophobicContact CG-CD1 4.5Å; E206-I209 WeakPolarHBondContact O-CA 3.14Å; E206-I209 VanDerWaalsContact O-CB 3.29Å; E206-I209 WeakPolarHBondContact O-CB 3.39Å; E206-I209 PolarHBondContact O-N 3.08Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.29Å; I209-D212 PolarHBondContact O-N 3.03Å; I209-D212 VanDerWaalsContact O-N 3.17Å; I209-I213 HydrophobicContact CG2-CD1 4.12Å; I209-I213 WeakPolarHBondContact O-CG1 3.47Å; I209-I213 PolarHBondContact O-N 2.78Å; I209-Y241 HydrophobicContact CG2-CE1 3.81Å; I209-L243 HydrophobicContact CG2-CD2 3.69Å; I209-P244 HydrophobicContact CD1-CG 3.82Å; I209-P244 HydrophobicContact CG1-CG 4.18Å
210V98.3Very high96Very high0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-65.7-36.5177.8-178.60000112.2T187 L190 M191 L194 F201 E206 R207 E208 D212 I213 K214T187-V210 HydrophobicContact CG2-CB 4.39Å; T187-V210 HydrophobicContact CG2-CG1 4.26Å; L190-V210 HydrophobicContact CB-CG1 3.75Å; L190-V210 HydrophobicContact CD2-CG1 3.7Å; L190-V210 HydrophobicContact CG-CG1 3.63Å; M191-V210 HydrophobicContact CG-CB 3.8Å; M191-V210 HydrophobicContact CG-CG1 3.67Å; M191-V210 HydrophobicContact CG-CG2 3.77Å; L194-V210 HydrophobicContact CD1-CG1 3.99Å; L194-V210 HydrophobicContact CD1-CG2 4.11Å; F201-V210 HydrophobicContact CB-CG2 3.8Å; F201-V210 HydrophobicContact CD1-CG2 3.91Å; F201-V210 HydrophobicContact CD2-CG2 3.48Å; F201-V210 VanDerWaalsContact CD2-CG2 3.48Å; F201-V210 HydrophobicContact CE1-CG2 4.35Å; F201-V210 HydrophobicContact CE2-CG2 3.98Å; F201-V210 HydrophobicContact CG-CG2 3.44Å; F201-V210 VanDerWaalsContact CG-CG2 3.44Å; F201-V210 HydrophobicContact CZ-CG2 4.37Å; E206-V210 PolarHBondContact O-N 3.15Å; R207-V210 PolarHBondContact O-N 3.09Å; E208-V210 VanDerWaalsContact C-N 3.31Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 2.94Å; V210-I213 PolarHBondContact O-N 3.23Å; V210-K214 WeakPolarHBondContact O-CB 3.14Å; V210-K214 PolarHBondContact O-N 3.26Å
211R97.6Very high96.1Very high72 Ų7244 Ų4427%0.27223%0.228SC..Hα-helixtrans-60.1-43.8171.5-171.5-171.161.470.86.3111.5T187 R207 E208 I209 K214 E215T187-R211 HydrophobicContact CG2-CB 3.9Å; R207-R211 PolarHBondContact O-N 3.02Å; E208-R211 PolarHBondContact O-N 3.02Å; E208-R211 IonicContact OE2-CZ 3.59Å; E208-R211 IonicContact OE2-NE 3.19Å; E208-R211 PolarHBondContact OE2-NE 2.89Å; E208-R211 IonicContact OE2-NH2 3.55Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.29Å; R211-K214 WeakPolarHBondContact O-CB 3.27Å; R211-K214 PolarHBondContact O-N 2.91Å; R211-E215 WeakPolarHBondContact CG-OE1 3.43Å; R211-E215 IonicContact CZ-OE1 3.41Å; R211-E215 IonicContact NH1-OE1 2.79Å; R211-E215 PolarHBondContact NH1-OE1 3.27Å; R211-E215 IonicContact NH1-OE2 3.22Å; R211-E215 PolarHBondContact NH1-OE2 3.35Å; R211-E215 WeakPolarHBondContact O-CG 3.43Å; R211-E215 PolarHBondContact O-N 3.16Å
212D97.9Very high96.3Very high35 Ų3547.6 Ų47.619%0.18725%0.248CC..Hα-helixtrans-66.7-41.9178.1-172.278.5000112.2E208 I209 V210 K214 E215 K216 Y241E208-D212 PolarHBondContact O-N 2.71Å; I209-D212 PolarHBondContact O-N 3.03Å; I209-D212 VanDerWaalsContact O-N 3.17Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 2.94Å; D212-K214 VanDerWaalsContact C-N 3.31Å; D212-K214 PolarHBondContact O-N 3.4Å; D212-E215 PolarHBondContact O-N 3.48Å; D212-K216 VanDerWaalsContact CG-NZ 3.31Å; D212-K216 WeakPolarHBondContact O-CB 3.47Å; D212-K216 WeakPolarHBondContact O-CG 3.35Å; D212-K216 PolarHBondContact O-N 3.07Å; D212-K216 WeakPolarHBondContact OD1-CE 3.38Å; D212-K216 IonicContact OD1-NZ 3.08Å; D212-K216 PolarHBondContact OD1-NZ 3.32Å; D212-K216 VanDerWaalsContact OD1-NZ 3.15Å; D212-K216 VanDerWaalsContact OD2-CD 3.27Å; D212-K216 WeakPolarHBondContact OD2-CD 3.5Å; D212-K216 WeakPolarHBondContact OD2-CE 3.41Å; D212-K216 IonicContact OD2-NZ 3.04Å; D212-K216 PolarHBondContact OD2-NZ 3.47Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.44Å; D212-Y241 PolarHBondContact OD2-OH 2.72Å
213I98.5Very high96.5Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-55.5-48.6171.3-69167.2000110.2L190 L194 F201 I209 V210 E215 K216 L217 Y241 I249 I251L190-I213 HydrophobicContact CD2-CB 4.47Å; L190-I213 HydrophobicContact CD2-CG2 4.08Å; L194-I213 HydrophobicContact CD1-CD1 4.41Å; F201-I213 HydrophobicContact CZ-CD1 4.39Å; I209-I213 HydrophobicContact CG2-CD1 4.12Å; I209-I213 WeakPolarHBondContact O-CG1 3.47Å; I209-I213 PolarHBondContact O-N 2.78Å; V210-I213 PolarHBondContact O-N 3.23Å; I213-E215 PolarHBondContact O-N 3.34Å; I213-K216 PolarHBondContact O-N 3.13Å; I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.49Å; I213-L217 PolarHBondContact O-N 2.89Å; I213-Y241 HydrophobicContact CD1-CD1 3.98Å; I213-Y241 HydrophobicContact CD1-CE1 4.14Å; I213-Y241 HydrophobicContact CD1-CG 4.28Å; I213-Y241 HydrophobicContact CG1-CD1 3.77Å; I213-Y241 HydrophobicContact CG1-CD2 3.67Å; I213-Y241 HydrophobicContact CG1-CE1 3.8Å; I213-Y241 HydrophobicContact CG1-CE2 3.67Å; I213-Y241 HydrophobicContact CG1-CG 3.72Å; I213-I249 HydrophobicContact CD1-CD1 4.01Å; I213-I251 HydrophobicContact CD1-CD1 4.5Å; I213-I251 HydrophobicContact CG2-CD1 4.25Å; I213-I251 HydrophobicContact CG2-CG1 4.03Å; I213-I251 HydrophobicContact CG2-CG2 4.5Å
214K98.5Very high96.8Very high8 Ų842.7 Ų42.74%0.03521%0.214CC..Hα-helixtrans-57.1-51.4179.2-174.6-171.362.6146.90111.1G183 L186 T187 L190 V210 R211 D212 K216 C218 Y307G183-K214 PolarHBondContact O-NZ 2.93Å; L186-K214 HydrophobicContact CB-CD 3.94Å; T187-K214 VanDerWaalsContact OG1-CE 3.3Å; T187-K214 WeakPolarHBondContact OG1-CE 3.39Å; T187-K214 PolarHBondContact OG1-NZ 2.81Å; L190-K214 HydrophobicContact CD2-CB 3.61Å; L190-K214 HydrophobicContact CD2-CG 4.27Å; V210-K214 WeakPolarHBondContact O-CB 3.14Å; V210-K214 PolarHBondContact O-N 3.26Å; R211-K214 WeakPolarHBondContact O-CB 3.27Å; R211-K214 PolarHBondContact O-N 2.91Å; D212-K214 VanDerWaalsContact C-N 3.31Å; D212-K214 PolarHBondContact O-N 3.4Å; K214-K216 PolarHBondContact O-N 3.4Å; K214-C218 WeakPolarHBondContact O-CB 3.32Å; K214-C218 PolarHBondContact O-N 3.4Å; K214-Y307 VanDerWaalsContact CD-OH 3.29Å; K214-Y307 WeakPolarHBondContact CD-OH 3.34Å; K214-Y307 HydrophobicContact CG-CE1 4.27Å; K214-Y307 WeakPolarHBondContact CG-OH 3.47Å
215E98Very high97.3Very high115 Ų11545 Ų4554%0.53722%0.22SC..Hα-helixtrans-68.7-32.9-176.8-72.9174.1-159.600113.1R211 D212 I213R211-E215 WeakPolarHBondContact CG-OE1 3.43Å; R211-E215 IonicContact CZ-OE1 3.41Å; R211-E215 IonicContact NH1-OE1 2.79Å; R211-E215 PolarHBondContact NH1-OE1 3.27Å; R211-E215 IonicContact NH1-OE2 3.22Å; R211-E215 PolarHBondContact NH1-OE2 3.35Å; R211-E215 WeakPolarHBondContact O-CG 3.43Å; R211-E215 PolarHBondContact O-N 3.16Å; D212-E215 PolarHBondContact O-N 3.48Å; I213-E215 PolarHBondContact O-N 3.34Å
216K98.2Very high97.7Very high135 Ų13548.5 Ų48.559%0.58723%0.226SC*.Hα-helixtrans-86.1-37.4-178.5-72.5-179.2-178.2159.40114.3D212 I213 K214 Y241D212-K216 VanDerWaalsContact CG-NZ 3.31Å; D212-K216 WeakPolarHBondContact O-CB 3.47Å; D212-K216 WeakPolarHBondContact O-CG 3.35Å; D212-K216 PolarHBondContact O-N 3.07Å; D212-K216 WeakPolarHBondContact OD1-CE 3.38Å; D212-K216 IonicContact OD1-NZ 3.08Å; D212-K216 PolarHBondContact OD1-NZ 3.32Å; D212-K216 VanDerWaalsContact OD1-NZ 3.15Å; D212-K216 VanDerWaalsContact OD2-CD 3.27Å; D212-K216 WeakPolarHBondContact OD2-CD 3.5Å; D212-K216 WeakPolarHBondContact OD2-CE 3.41Å; D212-K216 IonicContact OD2-NZ 3.04Å; D212-K216 PolarHBondContact OD2-NZ 3.47Å; I213-K216 PolarHBondContact O-N 3.13Å; K214-K216 PolarHBondContact O-N 3.4Å; K216-Y241 HydrophobicContact CD-CE2 4.43Å
217L98.5Very high97.8Very high27 Ų2747.7 Ų47.714%0.14122%0.222CC..Hα-helixtrans-114.1-23.5-164.6-58.8-172.7000114.2I213 K239 Y241 I251 R255I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.49Å; I213-L217 PolarHBondContact O-N 2.89Å; L217-K239 HydrophobicContact CD1-CB 4.25Å; L217-K239 HydrophobicContact CD2-CB 4.22Å; L217-Y241 HydrophobicContact CD1-CD2 4.04Å; L217-Y241 HydrophobicContact CD1-CG 4.42Å; L217-I251 HydrophobicContact CD1-CB 4.41Å; L217-I251 HydrophobicContact CD1-CG1 3.86Å; L217-R255 HydrophobicContact CB-CG 4.45Å; L217-R255 PolarHBondContact O-NE 3.4Å; L217-R255 PolarHBondContact O-NH2 3.01Å
218C98.7Very high98Very high4 Ų448.5 Ų48.53%0.02723%0.229CC..  trans-78.4151.6-178.5-67.70000112.8K214 R255 P259 Y307K214-C218 WeakPolarHBondContact O-CB 3.32Å; K214-C218 PolarHBondContact O-N 3.4Å; C218-R255 CarbonylContact C-O 3.58Å; C218-R255 WeakPolarHBondContact CA-O 3.46Å; C218-R255 WeakPolarHBondContact CB-O 3.23Å; C218-R255 PolarHBondContact SG-O 3.32Å; C218-R255 VanDerWaalsContact SG-O 3.38Å; C218-P259 HydrophobicContact CB-CG 4.31Å; C218-Y307 HydrophobicContact CB-CD1 4.07Å; C218-Y307 HydrophobicContact CB-CE1 3.58Å
219Y98.8Very high98.1Very high33 Ų3350 Ų5013%0.12925%0.246CC..  trans-154.5156.6-179.666.4-81.7000110.2E227 R255 F256 P259Y219-E227 PolarHBondContact OH-OE1 3.45Å; Y219-R255 HydrophobicContact CD1-CB 4.08Å; Y219-R255 HydrophobicContact CE1-CB 3.8Å; Y219-R255 PolarHBondContact N-O 3.41Å; Y219-F256 HydrophobicContact CD2-CB 4.4Å; Y219-F256 HydrophobicContact CE1-CB 4.24Å; Y219-F256 HydrophobicContact CE1-CD1 4.33Å; Y219-F256 HydrophobicContact CE2-CB 4.02Å; Y219-F256 AromaticContact CZ-CD1 3.89Å; Y219-F256 VanDerWaalsContact O-CA 3.29Å; Y219-F256 WeakPolarHBondContact O-CA 3.29Å; Y219-F256 WeakPolarHBondContact O-CB 3.43Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.41Å; Y219-P259 WeakPolarHBondContact O-CG 3.28Å
220V98.8Very high98.2Very high5 Ų550.7 Ų50.73%0.0325%0.252CS..  trans-89.5123.8176.5173.60000109.2P259 F263 Y307 P308 I310 R313V220-P259 HydrophobicContact CG2-CB 3.9Å; V220-P259 HydrophobicContact CG2-CG 4.41Å; V220-F263 HydrophobicContact CG1-CD2 4.36Å; V220-F263 HydrophobicContact CG1-CE2 3.64Å; V220-F263 HydrophobicContact CG1-CZ 4.1Å; V220-F263 HydrophobicContact CG2-CE2 4.03Å; V220-Y307 HydrophobicContact CG2-CD2 4.31Å; V220-Y307 HydrophobicContact CG2-CG 4.32Å; V220-P308 PolarHBondContact N-O 3.2Å; V220-I310 HydrophobicContact CB-CB 4.32Å; V220-I310 HydrophobicContact CG2-CB 3.94Å; V220-I310 HydrophobicContact CG2-CG1 4.12Å; V220-R313 HydrophobicContact CG1-CB 3.47Å; V220-R313 VanDerWaalsContact CG1-CB 3.47Å; V220-R313 HydrophobicContact CG1-CG 3.66Å
221A98.5Very high98.1Very high1 Ų151.9 Ų51.91%0.00826%0.261CS..  trans-72.8141.4172.200000110.8D223 E227 F256 R313A221-D223 VanDerWaalsContact C-N 3.34Å; A221-E227 HydrophobicContact CB-CB 3.73Å; A221-E227 HydrophobicContact CB-CG 3.81Å; A221-F256 HydrophobicContact CB-CB 4.22Å; A221-F256 HydrophobicContact CB-CD2 4.34Å; A221-F256 HydrophobicContact CB-CG 4.48Å; A221-R313 WeakPolarHBondContact O-CD 3.23Å; A221-R313 PolarHBondContact O-NH1 2.83Å
222L98.4Very high98Very high94 Ų9452.8 Ų52.849%0.49229%0.285SS..SBendtrans-69.9-34.9174.5-176.565000111.7D312 R313 K316L222-D312 HydrophobicContact CD1-CB 4.17Å; L222-R313 WeakPolarHBondContact O-CD 3.32Å; L222-K316 HydrophobicContact CD1-CB 4.12Å; L222-K316 HydrophobicContact CD1-CD 3.9Å; L222-K316 HydrophobicContact CG-CD 4.18Å; L222-K316 WeakPolarHBondContact O-CD 3.31Å; L222-K316 PolarHBondContact O-NZ 3.28Å
223D98.3Very high97.9Very high57 Ų5756 Ų5631%0.30531%0.309SS..SBendtrans-135.7106.8174.6-165.6-64.2000108.8A221 E225 Q226 E227 K316A221-D223 VanDerWaalsContact C-N 3.34Å; D223-E225 PolarHBondContact O-N 3.06Å; D223-E225 PolarHBondContact OD1-N 3.43Å; D223-Q226 HydrophobicContact CB-CB 3.92Å; D223-Q226 PolarHBondContact O-N 3.01Å; D223-Q226 PolarHBondContact OD1-N 3.17Å; D223-E227 WeakPolarHBondContact O-CB 3.44Å; D223-E227 PolarHBondContact O-N 3.49Å; D223-K316 IonicContact OD2-NZ 3.96Å; D223-K316 PolarHBondContact OD2-NZ 2.98Å
224F98Very high97.6Very high16 Ų1658.2 Ų58.27%0.0733%0.325CS..Hα-helixtrans-62.8-43.2-172.5177.8-102.6000112.4E227 M228 F256 R257 E260 F267F224-E227 PolarHBondContact O-N 3.35Å; F224-M228 HydrophobicContact CD1-CG 4.29Å; F224-M228 HydrophobicContact CE1-CG 3.82Å; F224-M228 HydrophobicContact CE2-CG 4.15Å; F224-M228 HydrophobicContact CE2-SD 4.39Å; F224-M228 HydrophobicContact CZ-CG 3.74Å; F224-M228 HydrophobicContact CZ-SD 4.05Å; F224-M228 WeakPolarHBondContact O-CB 3.46Å; F224-M228 WeakPolarHBondContact O-CG 3.43Å; F224-M228 PolarHBondContact O-N 2.88Å; F224-F256 AromaticContact CD2-CD2 3.97Å; F224-F256 HydrophobicContact CD2-CD2 3.97Å; F224-F256 HydrophobicContact CD2-CE2 4.24Å; F224-F256 AromaticContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CE2 4.02Å; F224-R257 HydrophobicContact CE2-CG 3.92Å; F224-R257 HydrophobicContact CZ-CG 4.05Å; F224-E260 HydrophobicContact CB-CG 4.41Å; F224-E260 HydrophobicContact CD1-CG 4.34Å; F224-E260 HydrophobicContact CD2-CB 3.73Å; F224-E260 HydrophobicContact CD2-CG 3.44Å; F224-E260 VanDerWaalsContact CD2-CG 3.44Å; F224-E260 HydrophobicContact CE2-CB 3.72Å; F224-E260 HydrophobicContact CE2-CG 3.69Å; F224-E260 HydrophobicContact CG-CG 3.8Å; F224-E260 HydrophobicContact CZ-CG 4.24Å; F224-F267 HydrophobicContact CE1-CE2 4.11Å; F224-F267 AromaticContact CE1-CZ 3.82Å; F224-F267 HydrophobicContact CE1-CZ 3.82Å; F224-F267 HydrophobicContact CE2-CE2 4.23Å; F224-F267 AromaticContact CZ-CE2 3.7Å; F224-F267 HydrophobicContact CZ-CE2 3.7Å; F224-F267 AromaticContact CZ-CZ 3.88Å; F224-F267 HydrophobicContact CZ-CZ 3.88Å
225E97.8Very high97.4Very high127 Ų12761.9 Ų61.959%0.59335%0.352SS*.Hα-helixtrans-68.4-41.3-178-63.8-57.3148.100111.5D223 M228 A229D223-E225 PolarHBondContact O-N 3.06Å; D223-E225 PolarHBondContact OD1-N 3.43Å; E225-M228 PolarHBondContact O-N 3.05Å; E225-A229 PolarHBondContact O-N 3.33Å
226Q97.8Very high97.3Very high130 Ų13060.2 Ų60.261%0.60735%0.353SS*.Hα-helixtrans-63.8-41.2174.4-174-178.4-9.500111.9D223 A229 T230D223-Q226 HydrophobicContact CB-CB 3.92Å; D223-Q226 PolarHBondContact O-N 3.01Å; D223-Q226 PolarHBondContact OD1-N 3.17Å; Q226-A229 PolarHBondContact O-N 3.19Å; Q226-T230 PolarHBondContact O-N 3.31Å; Q226-T230 PolarHBondContact O-OG1 2.73Å
227E98Very high97.2Very high41 Ų4155.1 Ų55.119%0.19233%0.332CS..Hα-helixtrans-65.9-39.6178.1-15982.1-157.300110.9Y219 A221 D223 F224 T230 A231 L237 F256Y219-E227 PolarHBondContact OH-OE1 3.45Å; A221-E227 HydrophobicContact CB-CB 3.73Å; A221-E227 HydrophobicContact CB-CG 3.81Å; D223-E227 WeakPolarHBondContact O-CB 3.44Å; D223-E227 PolarHBondContact O-N 3.49Å; F224-E227 PolarHBondContact O-N 3.35Å; E227-T230 PolarHBondContact O-N 3.24Å; E227-A231 WeakPolarHBondContact O-CB 3.47Å; E227-A231 PolarHBondContact O-N 3.01Å; E227-L237 HydrophobicContact CG-CD1 4.03Å; E227-L237 VanDerWaalsContact OE1-CD1 3.32Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.32Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.24Å; E227-F256 HydrophobicContact CB-CD2 4.06Å; E227-F256 HydrophobicContact CB-CE1 4.44Å; E227-F256 HydrophobicContact CB-CE2 3.81Å; E227-F256 HydrophobicContact CB-CG 4.49Å; E227-F256 HydrophobicContact CB-CZ 4.02Å; E227-F256 HydrophobicContact CG-CD1 3.65Å; E227-F256 HydrophobicContact CG-CD2 3.81Å; E227-F256 HydrophobicContact CG-CE1 3.6Å; E227-F256 HydrophobicContact CG-CE2 3.78Å; E227-F256 HydrophobicContact CG-CG 3.75Å; E227-F256 HydrophobicContact CG-CZ 3.68Å
228M97.9Very high97.1Very high55 Ų5557.6 Ų57.627%0.27134%0.343SS..Hα-helixtrans-59.8-46172.2-78.5-59.6-65.500112.3F224 E225 T230 A231 A232 N253 F256 R257F224-M228 HydrophobicContact CD1-CG 4.29Å; F224-M228 HydrophobicContact CE1-CG 3.82Å; F224-M228 HydrophobicContact CE2-CG 4.15Å; F224-M228 HydrophobicContact CE2-SD 4.39Å; F224-M228 HydrophobicContact CZ-CG 3.74Å; F224-M228 HydrophobicContact CZ-SD 4.05Å; F224-M228 WeakPolarHBondContact O-CB 3.46Å; F224-M228 WeakPolarHBondContact O-CG 3.43Å; F224-M228 PolarHBondContact O-N 2.88Å; E225-M228 PolarHBondContact O-N 3.05Å; M228-T230 VanDerWaalsContact C-N 3.3Å; M228-T230 PolarHBondContact O-N 3.07Å; M228-A231 PolarHBondContact O-N 3.5Å; M228-A232 PolarHBondContact O-N 3.07Å; M228-N253 HydrophobicContact SD-CB 4.25Å; M228-F256 HydrophobicContact CG-CE2 3.82Å; M228-F256 HydrophobicContact CG-CZ 4.32Å; M228-F256 HydrophobicContact SD-CE2 3.54Å; M228-F256 VanDerWaalsContact SD-CE2 3.54Å; M228-F256 HydrophobicContact SD-CZ 3.76Å; M228-R257 HydrophobicContact SD-CG 3.86Å
229A97.9Very high97.1Very high61 Ų6162.5 Ų62.550%0.50436%0.364SS..Hα-helixtrans-62.9-37.3176.900000112.3E225 Q226 A232 S233E225-A229 PolarHBondContact O-N 3.33Å; Q226-A229 PolarHBondContact O-N 3.19Å; A229-A232 PolarHBondContact O-N 2.96Å; A229-S233 PolarHBondContact O-N 3.07Å; A229-S233 PolarHBondContact O-OG 2.96Å
230T97.5Very high97Very high48 Ų4864.9 Ų64.929%0.29439%0.385SS..Hα-helixtrans-66.6-45175.3-55.70000110.9Q226 E227 M228 A232 S233 S234 L237Q226-T230 PolarHBondContact O-N 3.31Å; Q226-T230 PolarHBondContact O-OG1 2.73Å; E227-T230 PolarHBondContact O-N 3.24Å; M228-T230 VanDerWaalsContact C-N 3.3Å; M228-T230 PolarHBondContact O-N 3.07Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 3.3Å; T230-S233 PolarHBondContact O-N 3.44Å; T230-S233 VanDerWaalsContact O-N 3.16Å; T230-S233 PolarHBondContact O-OG 3.07Å; T230-S234 WeakPolarHBondContact O-CB 3.37Å; T230-S234 PolarHBondContact O-N 2.8Å; T230-L237 HydrophobicContact CG2-CD1 3.94Å; T230-L237 HydrophobicContact CG2-CG 4.26Å
231A96.5Very high97Very high25 Ų2566.1 Ų66.121%0.20739%0.389CS..Hα-helixtrans-64.3-30.1177.800000113.2E227 M228 L237 N253 F256E227-A231 WeakPolarHBondContact O-CB 3.47Å; E227-A231 PolarHBondContact O-N 3.01Å; M228-A231 PolarHBondContact O-N 3.5Å; A231-L237 HydrophobicContact CB-CD1 4Å; A231-N253 HydrophobicContact CB-CB 3.92Å; A231-F256 HydrophobicContact CB-CE1 4Å; A231-F256 HydrophobicContact CB-CZ 3.89Å
232A96Very high96.9Very high92 Ų9272.5 Ų72.576%0.7642%0.419SS*.Hα-helixtrans-75.1-25176.400000113.3M228 A229 T230M228-A232 PolarHBondContact O-N 3.07Å; A229-A232 PolarHBondContact O-N 2.96Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 3.3Å
233S95.5Very high96.8Very high101 Ų10168.9 Ų68.971%0.70640%0.4SS*.Hα-helixtrans-105.7-14.7-175.154.90000114.1A229 T230A229-S233 PolarHBondContact O-N 3.07Å; A229-S233 PolarHBondContact O-OG 2.96Å; T230-S233 PolarHBondContact O-N 3.44Å; T230-S233 VanDerWaalsContact O-N 3.16Å; T230-S233 PolarHBondContact O-OG 3.07Å
234S92.7Very high96.6Very high48 Ų4871.3 Ų71.334%0.33642%0.419SS..  trans-146.4141.8-174179.60000112.2T230 S236T230-S234 WeakPolarHBondContact O-CB 3.37Å; T230-S234 PolarHBondContact O-N 2.8Å; S234-S236 PolarHBondContact O-N 3.36Å; S234-S236 VanDerWaalsContact OG-CB 3.22Å; S234-S236 WeakPolarHBondContact OG-CB 3.36Å; S234-S236 PolarHBondContact OG-N 3.15Å; S234-S236 PolarHBondContact OG-OG 2.95Å
235S93.8Very high96.3Very high84 Ų8476.2 Ų76.259%0.58745%0.446SS*.G310 helixtrans-82.93.3169.458.60000113.4L237 E238S235-L237 PolarHBondContact O-N 3.29Å; S235-L237 VanDerWaalsContact O-N 3.08Å; S235-E238 WeakPolarHBondContact O-CB 3.29Å; S235-E238 PolarHBondContact O-N 3.07Å
236S95.1Very high96.2Very high81 Ų8171.9 Ų71.957%0.56644%0.436SS*.G310 helixtrans-60.1-22.1-178.157.50000114.3S234S234-S236 PolarHBondContact O-N 3.36Å; S234-S236 VanDerWaalsContact OG-CB 3.22Å; S234-S236 WeakPolarHBondContact OG-CB 3.36Å; S234-S236 PolarHBondContact OG-N 3.15Å; S234-S236 PolarHBondContact OG-OG 2.95Å
237L95.8Very high96.1Very high27 Ų2770.7 Ų70.714%0.14143%0.43CS..G310 helixtrans-89.2-7.7177.6-58-178.1000112.9E227 T230 A231 S235 R255 F256E227-L237 HydrophobicContact CG-CD1 4.03Å; E227-L237 VanDerWaalsContact OE1-CD1 3.32Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.32Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.24Å; T230-L237 HydrophobicContact CG2-CD1 3.94Å; T230-L237 HydrophobicContact CG2-CG 4.26Å; A231-L237 HydrophobicContact CB-CD1 4Å; S235-L237 PolarHBondContact O-N 3.29Å; S235-L237 VanDerWaalsContact O-N 3.08Å; L237-R255 WeakPolarHBondContact O-CD 3.19Å; L237-R255 PolarHBondContact O-NH1 2.83Å; L237-F256 HydrophobicContact CD1-CE1 4.05Å
238E97.3Very high96Very high79 Ų7972.8 Ų72.837%0.36945%0.446SS..  trans-74145.1179.6-60.2-167.3139.900111.8R197 S235 T250 I251R197-E238 IonicContact CZ-OE1 3.24Å; R197-E238 IonicContact NH2-OE1 2.74Å; R197-E238 PolarHBondContact NH2-OE1 2.92Å; S235-E238 WeakPolarHBondContact O-CB 3.29Å; S235-E238 PolarHBondContact O-N 3.07Å; E238-T250 HydrophobicContact CB-CG2 3.75Å; E238-T250 HydrophobicContact CG-CG2 4.16Å; E238-I251 WeakPolarHBondContact CA-O 3.2Å
239K97.9Very high96Very high108 Ų10870.1 Ų70.147%0.4743%0.433SS..EExtended strand (participates in β ladder)trans-133.4139.9172.1-70.1-67-178.4-176.50110.3L217 I251L217-K239 HydrophobicContact CD1-CB 4.25Å; L217-K239 HydrophobicContact CD2-CB 4.22Å; K239-I251 PolarHBondContact N-O 2.83Å; K239-I251 PolarHBondContact O-N 3.01Å
240S97.2Very high96Very high83 Ų8369.1 Ų69.158%0.5842%0.42SS*.EExtended strand (participates in β ladder)trans-83146172.5-55.60000110.8I249S240-I249 CarbonylContact C-O 3.52Å; S240-I249 VanDerWaalsContact CA-O 3.29Å; S240-I249 WeakPolarHBondContact CA-O 3.35Å
241Y98.1Very high96Very high30 Ų3066.9 Ų66.912%0.11841%0.406CS..EExtended strand (participates in β ladder)trans-133.4132.9173.5-177.1-86.6000109I209 D212 I213 K216 L217 L243 V248 I249I209-Y241 HydrophobicContact CG2-CE1 3.81Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.44Å; D212-Y241 PolarHBondContact OD2-OH 2.72Å; I213-Y241 HydrophobicContact CD1-CD1 3.98Å; I213-Y241 HydrophobicContact CD1-CE1 4.14Å; I213-Y241 HydrophobicContact CD1-CG 4.28Å; I213-Y241 HydrophobicContact CG1-CD1 3.77Å; I213-Y241 HydrophobicContact CG1-CD2 3.67Å; I213-Y241 HydrophobicContact CG1-CE1 3.8Å; I213-Y241 HydrophobicContact CG1-CE2 3.67Å; I213-Y241 HydrophobicContact CG1-CG 3.72Å; K216-Y241 HydrophobicContact CD-CE2 4.43Å; L217-Y241 HydrophobicContact CD1-CD2 4.04Å; L217-Y241 HydrophobicContact CD1-CG 4.42Å; Y241-L243 HydrophobicContact CD1-CD2 4.06Å; Y241-L243 HydrophobicContact CE1-CD2 4.02Å; Y241-V248 WeakPolarHBondContact O-CA 3.42Å; Y241-I249 HydrophobicContact CD1-CD1 4.48Å; Y241-I249 HydrophobicContact CD1-CG1 4.37Å; Y241-I249 PolarHBondContact N-O 3.02Å; Y241-I249 PolarHBondContact O-N 3.21Å
242E97.9Very high96.1Very high135 Ų13565.8 Ų65.863%0.63140%0.398SS*.EExtended strand (participates in β ladder)trans-93.1119.3177.7-171.5177.3167.500109.9V248E242-V248 HydrophobicContact CB-CG2 4.47Å; E242-V248 HydrophobicContact CG-CG2 4.39Å
243L96.1Very high96.1Very high18 Ų1863.2 Ų63.29%0.09437%0.371CS..  trans-72.9158.8175.2-64.9179000110.7F201 I209 Y241 D245 G246 Q247 I249F201-L243 HydrophobicContact CE1-CD2 4.01Å; F201-L243 HydrophobicContact CZ-CD2 4.14Å; I209-L243 HydrophobicContact CG2-CD2 3.69Å; Y241-L243 HydrophobicContact CD1-CD2 4.06Å; Y241-L243 HydrophobicContact CE1-CD2 4.02Å; L243-D245 WeakPolarHBondContact CB-OD1 3.3Å; L243-D245 PolarHBondContact O-N 2.87Å; L243-G246 WeakPolarHBondContact O-CA 3.36Å; L243-G246 PolarHBondContact O-N 3.17Å; L243-Q247 HydrophobicContact CB-CB 4.45Å; L243-Q247 VanDerWaalsContact CB-O 3.3Å; L243-Q247 WeakPolarHBondContact CB-O 3.39Å; L243-Q247 HydrophobicContact CD1-CB 4.18Å; L243-Q247 HydrophobicContact CD1-CG 4.38Å; L243-Q247 WeakPolarHBondContact CG-O 3.34Å; L243-Q247 PolarHBondContact N-O 2.8Å; L243-I249 HydrophobicContact CD1-CG2 3.76Å; L243-I249 HydrophobicContact CD2-CD1 3.92Å; L243-I249 HydrophobicContact CD2-CG1 4.43Å; L243-I249 HydrophobicContact CG-CD1 4.31Å; L243-I249 HydrophobicContact CG-CG1 4.38Å; L243-I249 HydrophobicContact CG-CG2 4.2Å
244P93Very high96.3Very high109 Ų10958.8 Ų58.871%0.70834%0.34SS*.THydrogen-bonded Turntrans-59.5-18.8-179.8-26.235.9000115.7I209 G246I209-P244 HydrophobicContact CD1-CG 3.82Å; I209-P244 HydrophobicContact CG1-CG 4.18Å; P244-G246 VanDerWaalsContact C-N 3.32Å
245D93.2Very high96.5Very high118 Ų11858.1 Ų58.163%0.63133%0.33SS*.THydrogen-bonded Turntrans-87.91.6174.7630.1000113.4L243 Q247L243-D245 WeakPolarHBondContact CB-OD1 3.3Å; L243-D245 PolarHBondContact O-N 2.87Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.39Å; D245-Q247 PolarHBondContact OD1-N 3.02Å
246G94.7Very high96.8Very high37 Ų3754.1 Ų54.138%0.38130%0.302SS..SBendtrans85.8-3.1-177.500000114.2L243 P244 V248L243-G246 WeakPolarHBondContact O-CA 3.36Å; L243-G246 PolarHBondContact O-N 3.17Å; P244-G246 VanDerWaalsContact C-N 3.32Å; G246-V248 PolarHBondContact O-N 3.06Å
247Q95.7Very high96.9Very high104 Ų10452.7 Ų52.749%0.48628%0.284SS..  trans-69.8129.7175.5-179.7179.4-1.700110.2L243 D245 I249L243-Q247 HydrophobicContact CB-CB 4.45Å; L243-Q247 VanDerWaalsContact CB-O 3.3Å; L243-Q247 WeakPolarHBondContact CB-O 3.39Å; L243-Q247 HydrophobicContact CD1-CB 4.18Å; L243-Q247 HydrophobicContact CD1-CG 4.38Å; L243-Q247 WeakPolarHBondContact CG-O 3.34Å; L243-Q247 PolarHBondContact N-O 2.8Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.39Å; D245-Q247 PolarHBondContact OD1-N 3.02Å; Q247-I249 HydrophobicContact CG-CG2 4.44Å
248V97.1Very high97.1Very high85 Ų8551.4 Ų51.452%0.51528%0.277SS..EExtended strand (participates in β ladder)trans-93.8125.4175-177.80000110Y241 E242 G246Y241-V248 WeakPolarHBondContact O-CA 3.42Å; E242-V248 HydrophobicContact CB-CG2 4.47Å; E242-V248 HydrophobicContact CG-CG2 4.39Å; G246-V248 PolarHBondContact O-N 3.06Å
249I97.2Very high97.1Very high0 Ų047.6 Ų47.60%026%0.259CS..EExtended strand (participates in β ladder)trans-112.1156.2174.663.5171.9000110.8Y199 F201 I213 S240 Y241 L243 Q247 I251Y199-I249 HydrophobicContact CD1-CB 4.3Å; Y199-I249 HydrophobicContact CD1-CG2 3.8Å; Y199-I249 HydrophobicContact CD2-CB 4.35Å; Y199-I249 HydrophobicContact CE1-CB 3.89Å; Y199-I249 HydrophobicContact CE1-CG2 3.54Å; Y199-I249 HydrophobicContact CE2-CB 3.93Å; Y199-I249 HydrophobicContact CE2-CG2 4.46Å; Y199-I249 HydrophobicContact CG-CG2 4.37Å; F201-I249 HydrophobicContact CZ-CD1 3.95Å; I213-I249 HydrophobicContact CD1-CD1 4.01Å; S240-I249 CarbonylContact C-O 3.52Å; S240-I249 VanDerWaalsContact CA-O 3.29Å; S240-I249 WeakPolarHBondContact CA-O 3.35Å; Y241-I249 HydrophobicContact CD1-CD1 4.48Å; Y241-I249 HydrophobicContact CD1-CG1 4.37Å; Y241-I249 PolarHBondContact N-O 3.02Å; Y241-I249 PolarHBondContact O-N 3.21Å; L243-I249 HydrophobicContact CD1-CG2 3.76Å; L243-I249 HydrophobicContact CD2-CD1 3.92Å; L243-I249 HydrophobicContact CD2-CG1 4.43Å; L243-I249 HydrophobicContact CG-CD1 4.31Å; L243-I249 HydrophobicContact CG-CG1 4.38Å; L243-I249 HydrophobicContact CG-CG2 4.2Å; Q247-I249 HydrophobicContact CG-CG2 4.44Å; I249-I251 HydrophobicContact CD1-CD1 3.67Å; I249-I251 HydrophobicContact CG1-CD1 3.92Å
250T97.5Very high97.1Very high40 Ų4042.5 Ų42.525%0.24524%0.237CC..EExtended strand (participates in β ladder)trans-111.4122.9179.5-60.90000110.3R197 Y199 E238R197-T250 PolarHBondContact NE-O 3.26Å; Y199-T250 WeakPolarHBondContact CE2-O 3.39Å; Y199-T250 PolarHBondContact OH-N 2.68Å; E238-T250 HydrophobicContact CB-CG2 3.75Å; E238-T250 HydrophobicContact CG-CG2 4.16Å
251I98.1Very high97.2Very high0 Ų038.5 Ų38.50%021%0.209CC..EExtended strand (participates in β ladder)trans-103.4123.1176.3-38.4-56.1000108.4L194 I213 L217 E238 K239 I249 E254 R255L194-I251 HydrophobicContact CD2-CD1 3.79Å; L194-I251 HydrophobicContact CD2-CG2 4.21Å; I213-I251 HydrophobicContact CD1-CD1 4.5Å; I213-I251 HydrophobicContact CG2-CD1 4.25Å; I213-I251 HydrophobicContact CG2-CG1 4.03Å; I213-I251 HydrophobicContact CG2-CG2 4.5Å; L217-I251 HydrophobicContact CD1-CB 4.41Å; L217-I251 HydrophobicContact CD1-CG1 3.86Å; E238-I251 WeakPolarHBondContact CA-O 3.2Å; K239-I251 PolarHBondContact N-O 2.83Å; K239-I251 PolarHBondContact O-N 3.01Å; I249-I251 HydrophobicContact CD1-CD1 3.67Å; I249-I251 HydrophobicContact CG1-CD1 3.92Å; I251-E254 HydrophobicContact CG2-CB 4.08Å; I251-R255 HydrophobicContact CB-CG 4.08Å; I251-R255 HydrophobicContact CG2-CG 3.63Å; I251-R255 WeakPolarHBondContact O-CD 3.44Å
252G97.5Very high97.2Very high3 Ų337.1 Ų37.13%0.03120%0.204CC..  trans-109.8-116.9-176.700000112.1E254 R255G252-E254 VanDerWaalsContact C-OE2 3.24Å; G252-E254 VanDerWaalsContact CA-OE2 3.3Å; G252-E254 WeakPolarHBondContact CA-OE2 3.41Å; G252-E254 PolarHBondContact N-OE2 2.79Å; G252-E254 PolarHBondContact O-N 3.23Å; G252-E254 VanDerWaalsContact O-N 3.13Å; G252-R255 VanDerWaalsContact O-CB 3.31Å; G252-R255 WeakPolarHBondContact O-CB 3.47Å; G252-R255 WeakPolarHBondContact O-CG 3.42Å; G252-R255 PolarHBondContact O-N 3.12Å; G252-R255 VanDerWaalsContact O-N 3.13Å
253N97.5Very high97.2Very high38 Ų3831 Ų3120%0.20318%0.175CC..THydrogen-bonded Turntrans-65.1-16.1-176.965.437.9000113.7M228 A231 R255 F256 R257M228-N253 HydrophobicContact SD-CB 4.25Å; A231-N253 HydrophobicContact CB-CB 3.92Å; N253-R255 PolarHBondContact O-N 2.97Å; N253-R255 VanDerWaalsContact O-N 3.12Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.48Å; N253-F256 HydrophobicContact CB-CZ 3.64Å; N253-F256 PolarHBondContact O-N 3.33Å; N253-F256 VanDerWaalsContact O-N 3.16Å; N253-R257 HydrophobicContact CB-CG 4.47Å; N253-R257 WeakPolarHBondContact O-CB 3.36Å; N253-R257 VanDerWaalsContact O-CG 3.31Å; N253-R257 WeakPolarHBondContact O-CG 3.49Å; N253-R257 PolarHBondContact O-N 3.1Å; N253-R257 WeakPolarHBondContact OD1-CD 3.31Å; N253-R257 PolarHBondContact OD1-NH1 3.45Å
254E98.2Very high97.3Very high8 Ų833.1 Ų33.14%0.03719%0.185CC..Hα-helixtrans-58.4-26.9174.5-54.278.2-164.900111.3L190 I193 L194 R197 I251 G252 F256 C258L190-E254 HydrophobicContact CD1-CB 3.93Å; I193-E254 HydrophobicContact CB-CG 4.24Å; I193-E254 HydrophobicContact CD1-CB 3.7Å; I193-E254 HydrophobicContact CD1-CG 4.03Å; I193-E254 HydrophobicContact CG1-CB 3.93Å; I193-E254 HydrophobicContact CG1-CG 3.83Å; L194-E254 HydrophobicContact CD2-CB 4.4Å; L194-E254 HydrophobicContact CD2-CG 4.3Å; R197-E254 WeakPolarHBondContact CD-OE1 3.2Å; R197-E254 IonicContact CZ-OE1 2.79Å; R197-E254 IonicContact CZ-OE2 3.94Å; R197-E254 IonicContact NH1-OE1 3.88Å; R197-E254 PolarHBondContact NH1-OE1 2.84Å; R197-E254 IonicContact NH1-OE2 3.6Å; R197-E254 PolarHBondContact NH1-OE2 2.87Å; R197-E254 VanDerWaalsContact NH1-OE2 3.08Å; I251-E254 HydrophobicContact CG2-CB 4.08Å; G252-E254 VanDerWaalsContact C-OE2 3.24Å; G252-E254 VanDerWaalsContact CA-OE2 3.3Å; G252-E254 WeakPolarHBondContact CA-OE2 3.41Å; G252-E254 PolarHBondContact N-OE2 2.79Å; G252-E254 PolarHBondContact O-N 3.23Å; G252-E254 VanDerWaalsContact O-N 3.13Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 3.17Å; E254-C258 VanDerWaalsContact O-CB 3.28Å; E254-C258 WeakPolarHBondContact O-CB 3.3Å; E254-C258 PolarHBondContact O-N 3.32Å; E254-C258 VanDerWaalsContact O-N 3.1Å
255R98.6Very high97.6Very high33 Ų3328.1 Ų28.113%0.12515%0.152CC..Hα-helixtrans-57.8-39.7177.2-64.317866.1-138.3-10.6113L217 C218 Y219 L237 I251 G252 N253 P259L217-R255 HydrophobicContact CB-CG 4.45Å; L217-R255 PolarHBondContact O-NE 3.4Å; L217-R255 PolarHBondContact O-NH2 3.01Å; C218-R255 CarbonylContact C-O 3.58Å; C218-R255 WeakPolarHBondContact CA-O 3.46Å; C218-R255 WeakPolarHBondContact CB-O 3.23Å; C218-R255 PolarHBondContact SG-O 3.32Å; C218-R255 VanDerWaalsContact SG-O 3.38Å; Y219-R255 HydrophobicContact CD1-CB 4.08Å; Y219-R255 HydrophobicContact CE1-CB 3.8Å; Y219-R255 PolarHBondContact N-O 3.41Å; L237-R255 WeakPolarHBondContact O-CD 3.19Å; L237-R255 PolarHBondContact O-NH1 2.83Å; I251-R255 HydrophobicContact CB-CG 4.08Å; I251-R255 HydrophobicContact CG2-CG 3.63Å; I251-R255 WeakPolarHBondContact O-CD 3.44Å; G252-R255 VanDerWaalsContact O-CB 3.31Å; G252-R255 WeakPolarHBondContact O-CB 3.47Å; G252-R255 WeakPolarHBondContact O-CG 3.42Å; G252-R255 PolarHBondContact O-N 3.12Å; G252-R255 VanDerWaalsContact O-N 3.13Å; N253-R255 PolarHBondContact O-N 2.97Å; N253-R255 VanDerWaalsContact O-N 3.12Å; R255-P259 VanDerWaalsContact O-CD 3.3Å; R255-P259 WeakPolarHBondContact O-CD 3.39Å
256F98.5Very high97.7Very high0 Ų026.2 Ų26.20%015%0.148CC..Hα-helixtrans-109.8-20.9179.564.3-94.3000113.5Y219 A221 F224 E227 M228 A231 L237 N253 E254 P259 E260Y219-F256 HydrophobicContact CD2-CB 4.4Å; Y219-F256 HydrophobicContact CE1-CB 4.24Å; Y219-F256 HydrophobicContact CE1-CD1 4.33Å; Y219-F256 HydrophobicContact CE2-CB 4.02Å; Y219-F256 AromaticContact CZ-CD1 3.89Å; Y219-F256 VanDerWaalsContact O-CA 3.29Å; Y219-F256 WeakPolarHBondContact O-CA 3.29Å; Y219-F256 WeakPolarHBondContact O-CB 3.43Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.41Å; A221-F256 HydrophobicContact CB-CB 4.22Å; A221-F256 HydrophobicContact CB-CD2 4.34Å; A221-F256 HydrophobicContact CB-CG 4.48Å; F224-F256 AromaticContact CD2-CD2 3.97Å; F224-F256 HydrophobicContact CD2-CD2 3.97Å; F224-F256 HydrophobicContact CD2-CE2 4.24Å; F224-F256 AromaticContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CE2 4.02Å; E227-F256 HydrophobicContact CB-CD2 4.06Å; E227-F256 HydrophobicContact CB-CE1 4.44Å; E227-F256 HydrophobicContact CB-CE2 3.81Å; E227-F256 HydrophobicContact CB-CG 4.49Å; E227-F256 HydrophobicContact CB-CZ 4.02Å; E227-F256 HydrophobicContact CG-CD1 3.65Å; E227-F256 HydrophobicContact CG-CD2 3.81Å; E227-F256 HydrophobicContact CG-CE1 3.6Å; E227-F256 HydrophobicContact CG-CE2 3.78Å; E227-F256 HydrophobicContact CG-CG 3.75Å; E227-F256 HydrophobicContact CG-CZ 3.68Å; M228-F256 HydrophobicContact CG-CE2 3.82Å; M228-F256 HydrophobicContact CG-CZ 4.32Å; M228-F256 HydrophobicContact SD-CE2 3.54Å; M228-F256 VanDerWaalsContact SD-CE2 3.54Å; M228-F256 HydrophobicContact SD-CZ 3.76Å; A231-F256 HydrophobicContact CB-CE1 4Å; A231-F256 HydrophobicContact CB-CZ 3.89Å; L237-F256 HydrophobicContact CD1-CE1 4.05Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.48Å; N253-F256 HydrophobicContact CB-CZ 3.64Å; N253-F256 PolarHBondContact O-N 3.33Å; N253-F256 VanDerWaalsContact O-N 3.16Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 3.17Å; F256-P259 WeakPolarHBondContact O-CD 3.37Å; F256-E260 PolarHBondContact O-N 3.09Å; F256-E260 VanDerWaalsContact O-N 3.14Å
257R98.2Very high97.7Very high51 Ų5127.3 Ų27.319%0.19214%0.143CC..Hα-helixtrans-64.3-42170.4-74.3173.768.7-155.6-2.3112.7I193 E196 F224 M228 N253 E260I193-R257 HydrophobicContact CD1-CB 4.26Å; E196-R257 IonicContact OE2-NH1 3.29Å; E196-R257 IonicContact OE2-NH2 2.73Å; E196-R257 PolarHBondContact OE2-NH2 3.47Å; F224-R257 HydrophobicContact CE2-CG 3.92Å; F224-R257 HydrophobicContact CZ-CG 4.05Å; M228-R257 HydrophobicContact SD-CG 3.86Å; N253-R257 HydrophobicContact CB-CG 4.47Å; N253-R257 WeakPolarHBondContact O-CB 3.36Å; N253-R257 VanDerWaalsContact O-CG 3.31Å; N253-R257 WeakPolarHBondContact O-CG 3.49Å; N253-R257 PolarHBondContact O-N 3.1Å; N253-R257 WeakPolarHBondContact OD1-CD 3.31Å; N253-R257 PolarHBondContact OD1-NH1 3.45Å; R257-E260 WeakPolarHBondContact O-CB 3.34Å; R257-E260 PolarHBondContact O-N 2.7Å
258C98.7Very high97.7Very high0 Ų024.9 Ų24.90%013%0.133CC..Hα-helixtrans-55.7-58.7178.6170.20000112L186 Y189 L190 I193 E254 E260 A261L186-C258 WeakPolarHBondContact CD2-O 3.24Å; L186-C258 PolarHBondContact O-SG 3.31Å; Y189-C258 HydrophobicContact CD1-CB 4.44Å; L190-C258 HydrophobicContact CB-CB 4.34Å; L190-C258 HydrophobicContact CD1-CB 4.02Å; I193-C258 HydrophobicContact CD1-CB 4.06Å; E254-C258 VanDerWaalsContact O-CB 3.28Å; E254-C258 WeakPolarHBondContact O-CB 3.3Å; E254-C258 PolarHBondContact O-N 3.32Å; E254-C258 VanDerWaalsContact O-N 3.1Å; C258-E260 PolarHBondContact O-N 3.17Å; C258-A261 WeakPolarHBondContact O-CB 3.27Å; C258-A261 PolarHBondContact O-N 2.92Å
259P98.5Very high97.6Very high0 Ų024.1 Ų24.10%014%0.142CC..Hα-helixtrans-72.3-10.8178.630.1-37.1000114C218 Y219 V220 R255 F256 A261 I262 Y307C218-P259 HydrophobicContact CB-CG 4.31Å; Y219-P259 WeakPolarHBondContact O-CG 3.28Å; V220-P259 HydrophobicContact CG2-CB 3.9Å; V220-P259 HydrophobicContact CG2-CG 4.41Å; R255-P259 VanDerWaalsContact O-CD 3.3Å; R255-P259 WeakPolarHBondContact O-CD 3.39Å; F256-P259 WeakPolarHBondContact O-CD 3.37Å; P259-A261 PolarHBondContact O-N 3.42Å; P259-I262 WeakPolarHBondContact O-CG1 3.32Å; P259-I262 PolarHBondContact O-N 2.84Å; P259-Y307 HydrophobicContact CB-CD1 4.37Å; P259-Y307 HydrophobicContact CB-CD2 3.76Å; P259-Y307 HydrophobicContact CB-CE1 4.28Å; P259-Y307 HydrophobicContact CB-CE2 3.62Å; P259-Y307 HydrophobicContact CB-CG 4.13Å
260E98.6Very high97.5Very high0 Ų026.6 Ų26.60%015%0.154CC..Hα-helixtrans-62.6-27169.9-171.363.1-161.900111.4F224 F256 R257 C258 I262 F263 Q264 F267 R313F224-E260 HydrophobicContact CB-CG 4.41Å; F224-E260 HydrophobicContact CD1-CG 4.34Å; F224-E260 HydrophobicContact CD2-CB 3.73Å; F224-E260 HydrophobicContact CD2-CG 3.44Å; F224-E260 VanDerWaalsContact CD2-CG 3.44Å; F224-E260 HydrophobicContact CE2-CB 3.72Å; F224-E260 HydrophobicContact CE2-CG 3.69Å; F224-E260 HydrophobicContact CG-CG 3.8Å; F224-E260 HydrophobicContact CZ-CG 4.24Å; F256-E260 PolarHBondContact O-N 3.09Å; F256-E260 VanDerWaalsContact O-N 3.14Å; R257-E260 WeakPolarHBondContact O-CB 3.34Å; R257-E260 PolarHBondContact O-N 2.7Å; C258-E260 PolarHBondContact O-N 3.17Å; E260-I262 PolarHBondContact O-N 3.3Å; E260-I262 VanDerWaalsContact O-N 3.11Å; E260-F263 CarbonylContact O-C 3.55Å; E260-F263 WeakPolarHBondContact O-CA 3.48Å; E260-F263 WeakPolarHBondContact O-CB 3.26Å; E260-F263 PolarHBondContact O-N 3.15Å; E260-Q264 HydrophobicContact CG-CG 4.34Å; E260-Q264 PolarHBondContact O-N 3.01Å; E260-Q264 PolarHBondContact OE1-NE2 2.91Å; E260-F267 HydrophobicContact CB-CD2 4.31Å; E260-F267 HydrophobicContact CB-CE2 3.93Å; E260-F267 HydrophobicContact CG-CD2 4.28Å; E260-F267 HydrophobicContact CG-CE2 3.61Å; E260-F267 HydrophobicContact CG-CZ 4.26Å; E260-R313 IonicContact OE1-CZ 3.98Å; E260-R313 IonicContact OE1-NH1 3.15Å; E260-R313 IonicContact OE1-NH2 2.72Å; E260-R313 PolarHBondContact OE1-NH2 3.1Å; E260-R313 IonicContact OE2-CZ 3.36Å; E260-R313 IonicContact OE2-NH1 3.02Å; E260-R313 PolarHBondContact OE2-NH1 2.63Å; E260-R313 IonicContact OE2-NH2 3.51Å
261A98.2Very high97.4Very high0 Ų034.2 Ų34.20%019%0.187CC..THydrogen-bonded Turntrans-59.3-26.1-179.600000114.2L181 L186 Y189 C258 P259 F263 Q264 P265 F267 L268L181-A261 VanDerWaalsContact CD2-O 3.32Å; L181-A261 WeakPolarHBondContact CD2-O 3.41Å; L186-A261 HydrophobicContact CD2-CB 3.81Å; Y189-A261 HydrophobicContact CD1-CB 4.04Å; Y189-A261 HydrophobicContact CE1-CB 4.08Å; C258-A261 WeakPolarHBondContact O-CB 3.27Å; C258-A261 PolarHBondContact O-N 2.92Å; P259-A261 PolarHBondContact O-N 3.42Å; A261-F263 VanDerWaalsContact C-N 3.31Å; A261-Q264 CarbonylContact O-C 3.58Å; A261-Q264 PolarHBondContact O-N 2.94Å; A261-P265 VanDerWaalsContact O-CA 3.28Å; A261-P265 WeakPolarHBondContact O-CA 3.46Å; A261-P265 VanDerWaalsContact O-N 3.09Å; A261-F267 HydrophobicContact CB-CB 4.38Å; A261-L268 HydrophobicContact CB-CD1 3.9Å; A261-L268 HydrophobicContact CB-CD2 4.36Å; A261-L268 HydrophobicContact CB-CG 3.95Å
262I98.2Very high97.2Very high1 Ų137 Ų371%0.00521%0.206CC..THydrogen-bonded Turntrans-74.7-21.2172.953.9167.4000112.7L181 L186 P259 E260 G274 I275 T304 I310L181-I262 HydrophobicContact CD2-CG2 4.32Å; L181-I262 HydrophobicContact CG-CG2 4.28Å; L186-I262 HydrophobicContact CD1-CG2 3.88Å; L186-I262 HydrophobicContact CD2-CG2 4.16Å; L186-I262 HydrophobicContact CG-CG2 4.35Å; P259-I262 WeakPolarHBondContact O-CG1 3.32Å; P259-I262 PolarHBondContact O-N 2.84Å; E260-I262 PolarHBondContact O-N 3.3Å; E260-I262 VanDerWaalsContact O-N 3.11Å; I262-G274 CarbonylContact O-C 3.59Å; I262-G274 VanDerWaalsContact O-CA 3.27Å; I262-G274 WeakPolarHBondContact O-CA 3.34Å; I262-I275 HydrophobicContact CB-CG1 4.42Å; I262-I275 HydrophobicContact CB-CG2 4.13Å; I262-I275 HydrophobicContact CD1-CD1 3.77Å; I262-I275 HydrophobicContact CD1-CG1 4.47Å; I262-I275 HydrophobicContact CG1-CD1 4.34Å; I262-I275 PolarHBondContact O-N 3.08Å; I262-T304 HydrophobicContact CG2-CG2 4.46Å; I262-I310 HydrophobicContact CD1-CD1 3.85Å
263F98.5Very high97.2Very high5 Ų538.9 Ų38.92%0.02222%0.218CC..THydrogen-bonded Turntrans-90.6-30.2171.5-67.2-93.1000111.5V220 E260 A261 G274 I275 H276 I310 R313 M314 E317V220-F263 HydrophobicContact CG1-CD2 4.36Å; V220-F263 HydrophobicContact CG1-CE2 3.64Å; V220-F263 HydrophobicContact CG1-CZ 4.1Å; V220-F263 HydrophobicContact CG2-CE2 4.03Å; E260-F263 CarbonylContact O-C 3.55Å; E260-F263 WeakPolarHBondContact O-CA 3.48Å; E260-F263 WeakPolarHBondContact O-CB 3.26Å; E260-F263 PolarHBondContact O-N 3.15Å; A261-F263 VanDerWaalsContact C-N 3.31Å; F263-G274 VanDerWaalsContact O-CA 3.3Å; F263-G274 WeakPolarHBondContact O-CA 3.42Å; F263-I275 HydrophobicContact CD1-CG1 4.35Å; F263-I275 HydrophobicContact CE1-CD1 4.25Å; F263-I275 HydrophobicContact CE1-CG1 4.11Å; F263-I275 HydrophobicContact CE2-CD1 4.18Å; F263-I275 HydrophobicContact CE2-CG1 4.47Å; F263-I275 HydrophobicContact CZ-CD1 3.86Å; F263-I275 HydrophobicContact CZ-CG1 4.18Å; F263-H276 HydrophobicContact CD1-CB 4.29Å; F263-H276 AromaticContact CD1-CG 3.99Å; F263-H276 AromaticContact CD1-ND1 3.34Å; F263-H276 VanDerWaalsContact CD1-ND1 3.34Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.41Å; F263-H276 HydrophobicContact CE1-CB 4.26Å; F263-H276 PolarHBondContact O-CE1 3.43Å; F263-I310 HydrophobicContact CE2-CG1 4.32Å; F263-I310 HydrophobicContact CZ-CG1 4.09Å; F263-R313 HydrophobicContact CD1-CG 3.96Å; F263-R313 HydrophobicContact CE1-CB 4.24Å; F263-R313 HydrophobicContact CE1-CG 3.45Å; F263-R313 VanDerWaalsContact CE1-CG 3.45Å; F263-R313 HydrophobicContact CE2-CG 4.08Å; F263-R313 HydrophobicContact CZ-CB 3.97Å; F263-R313 HydrophobicContact CZ-CG 3.52Å; F263-M314 HydrophobicContact CE1-CG 4.27Å; F263-M314 HydrophobicContact CE1-SD 3.91Å; F263-M314 HydrophobicContact CZ-CG 4.17Å; F263-M314 HydrophobicContact CZ-SD 4.24Å; F263-E317 HydrophobicContact CD1-CG 4.41Å; F263-E317 HydrophobicContact CE1-CG 4.49Å
264Q97.8Very high97.3Very high64 Ų6437.1 Ų37.130%0.29921%0.21SC..  trans-130.978.6179.1-58.5-171.915.900111.1E260 A261 S266 F267E260-Q264 HydrophobicContact CG-CG 4.34Å; E260-Q264 PolarHBondContact O-N 3.01Å; E260-Q264 PolarHBondContact OE1-NE2 2.91Å; A261-Q264 CarbonylContact O-C 3.58Å; A261-Q264 PolarHBondContact O-N 2.94Å; Q264-S266 PolarHBondContact O-N 2.84Å; Q264-F267 HydrophobicContact CB-CD1 4.31Å; Q264-F267 HydrophobicContact CB-CE1 4.32Å; Q264-F267 HydrophobicContact CB-CG 4.47Å; Q264-F267 HydrophobicContact CB-CZ 4.5Å; Q264-F267 WeakPolarHBondContact O-CB 3.49Å; Q264-F267 PolarHBondContact O-N 3.38Å; Q264-F267 VanDerWaalsContact OE1-CZ 3.24Å
265P98.2Very high97.3Very high3 Ų336.8 Ų36.82%0.01921%0.208CC..G310 helixtrans-57.9-18.4-179.3-27.637000114.5L181 A261 F267 L268 M270 S272L181-P265 HydrophobicContact CD2-CB 4.02Å; L181-P265 HydrophobicContact CD2-CG 3.98Å; A261-P265 VanDerWaalsContact O-CA 3.28Å; A261-P265 WeakPolarHBondContact O-CA 3.46Å; A261-P265 VanDerWaalsContact O-N 3.09Å; P265-F267 PolarHBondContact O-N 3.5Å; P265-L268 WeakPolarHBondContact O-CA 3.32Å; P265-L268 WeakPolarHBondContact O-CB 3.43Å; P265-L268 PolarHBondContact O-N 3.31Å; P265-M270 CarbonylContact C-O 3.52Å; P265-M270 HydrophobicContact CB-CB 3.78Å; P265-M270 HydrophobicContact CB-SD 4.4Å; P265-M270 WeakPolarHBondContact O-CB 3.47Å; P265-M270 PolarHBondContact O-N 2.78Å; P265-M270 VanDerWaalsContact O-N 3.13Å; P265-S272 WeakPolarHBondContact CG-O 3.38Å
266S96.9Very high97.3Very high78 Ų7836.5 Ų36.555%0.54521%0.208SC..G310 helixtrans-58-24.4172.560.70000113.5Q264 L268 G269 M270Q264-S266 PolarHBondContact O-N 2.84Å; S266-L268 PolarHBondContact O-N 3.16Å; S266-G269 PolarHBondContact O-N 3Å; S266-M270 PolarHBondContact N-O 2.74Å
267F94.2Very high97.3Very high61 Ų6140 Ų4027%0.26822%0.224SC..G310 helixtrans-62.1-21.8172.5-75.27.6000112.9F224 E260 A261 Q264 P265F224-F267 HydrophobicContact CE1-CE2 4.11Å; F224-F267 AromaticContact CE1-CZ 3.82Å; F224-F267 HydrophobicContact CE1-CZ 3.82Å; F224-F267 HydrophobicContact CE2-CE2 4.23Å; F224-F267 AromaticContact CZ-CE2 3.7Å; F224-F267 HydrophobicContact CZ-CE2 3.7Å; F224-F267 AromaticContact CZ-CZ 3.88Å; F224-F267 HydrophobicContact CZ-CZ 3.88Å; E260-F267 HydrophobicContact CB-CD2 4.31Å; E260-F267 HydrophobicContact CB-CE2 3.93Å; E260-F267 HydrophobicContact CG-CD2 4.28Å; E260-F267 HydrophobicContact CG-CE2 3.61Å; E260-F267 HydrophobicContact CG-CZ 4.26Å; A261-F267 HydrophobicContact CB-CB 4.38Å; Q264-F267 HydrophobicContact CB-CD1 4.31Å; Q264-F267 HydrophobicContact CB-CE1 4.32Å; Q264-F267 HydrophobicContact CB-CG 4.47Å; Q264-F267 HydrophobicContact CB-CZ 4.5Å; Q264-F267 WeakPolarHBondContact O-CB 3.49Å; Q264-F267 PolarHBondContact O-N 3.38Å; Q264-F267 VanDerWaalsContact OE1-CZ 3.24Å; P265-F267 PolarHBondContact O-N 3.5Å
268L95.9Very high97.3Very high53 Ų5338.2 Ų38.228%0.27722%0.219SC..G310 helixtrans-101.95.1175.1-56.2177000112.4L181 Y189 A261 P265 S266 M270L181-L268 HydrophobicContact CD1-CD1 3.22Å; L181-L268 HydrophobicContact CD2-CD1 4.11Å; L181-L268 HydrophobicContact CG-CD1 4.3Å; Y189-L268 VanDerWaalsContact CB-CD2 3.43Å; Y189-L268 HydrophobicContact CD1-CD2 3.88Å; Y189-L268 HydrophobicContact CD2-CD2 3.39Å; Y189-L268 HydrophobicContact CE2-CD2 4.08Å; Y189-L268 HydrophobicContact CG-CD2 3.28Å; A261-L268 HydrophobicContact CB-CD1 3.9Å; A261-L268 HydrophobicContact CB-CD2 4.36Å; A261-L268 HydrophobicContact CB-CG 3.95Å; P265-L268 WeakPolarHBondContact O-CA 3.32Å; P265-L268 WeakPolarHBondContact O-CB 3.43Å; P265-L268 PolarHBondContact O-N 3.31Å; S266-L268 PolarHBondContact O-N 3.16Å; L268-M270 VanDerWaalsContact C-N 3.28Å; L268-M270 HydrophobicContact CB-CG 4.14Å; L268-M270 HydrophobicContact CB-SD 4.35Å; L268-M270 HydrophobicContact CD1-SD 4.39Å
269G95.2Very high97.3Very high69 Ų6938.2 Ų38.271%0.71122%0.219SC*.THydrogen-bonded Turntrans73.119-173.500000113.7S266S266-G269 PolarHBondContact O-N 3Å
270M95.3Very high97.3Very high52 Ų5240 Ų4026%0.25623%0.227SC..  trans-90.3130.7177.3-60176.972.900110.9L179 L181 P265 S266 L268 S272L179-M270 HydrophobicContact CD1-CE 4.33Å; L181-M270 HydrophobicContact CB-CE 4.09Å; L181-M270 HydrophobicContact CB-SD 4.06Å; L181-M270 HydrophobicContact CD1-SD 4.28Å; L181-M270 HydrophobicContact CD2-SD 4.22Å; L181-M270 HydrophobicContact CG-SD 4.41Å; P265-M270 CarbonylContact C-O 3.52Å; P265-M270 HydrophobicContact CB-CB 3.78Å; P265-M270 HydrophobicContact CB-SD 4.4Å; P265-M270 WeakPolarHBondContact O-CB 3.47Å; P265-M270 PolarHBondContact O-N 2.78Å; P265-M270 VanDerWaalsContact O-N 3.13Å; S266-M270 PolarHBondContact N-O 2.74Å; L268-M270 VanDerWaalsContact C-N 3.28Å; L268-M270 HydrophobicContact CB-CG 4.14Å; L268-M270 HydrophobicContact CB-SD 4.35Å; L268-M270 HydrophobicContact CD1-SD 4.39Å; M270-S272 VanDerWaalsContact C-N 3.3Å; M270-S272 PolarHBondContact O-N 3.21Å; M270-S272 VanDerWaalsContact O-N 3.16Å
271E94.2Very high97.3Very high199 Ų19942.3 Ų42.393%0.9324%0.24SC*.  trans-86.671.2170.6-65-176.3175.600109.6
272S94.9Very high97.3Very high59 Ų5942.3 Ų42.341%0.41324%0.24SC..SBendtrans-145.5152.2-178.9-61.40000111P265 M270P265-S272 WeakPolarHBondContact CG-O 3.38Å; M270-S272 VanDerWaalsContact C-N 3.3Å; M270-S272 PolarHBondContact O-N 3.21Å; M270-S272 VanDerWaalsContact O-N 3.16Å
273C97.4Very high97.3Very high42 Ų4242.3 Ų42.328%0.28424%0.239SC..  trans-67.3148.4174.5-62.40000110.8E277 T278C273-E277 HydrophobicContact CB-CB 4.02Å; C273-E277 HydrophobicContact CB-CG 3.95Å; C273-E277 WeakPolarHBondContact CB-OE2 3.29Å; C273-E277 PolarHBondContact SG-OE1 2.89Å; C273-E277 VanDerWaalsContact SG-OE1 3.4Å; C273-E277 PolarHBondContact SG-OE2 3.3Å; C273-T278 PolarHBondContact O-OG1 2.89Å
274G98.3Very high97.3Very high2 Ų244.6 Ų44.62%0.02125%0.251CS..  trans-65.8171.4170.400000112.9I262 F263 H276 E277 T278I262-G274 CarbonylContact O-C 3.59Å; I262-G274 VanDerWaalsContact O-CA 3.27Å; I262-G274 WeakPolarHBondContact O-CA 3.34Å; F263-G274 VanDerWaalsContact O-CA 3.3Å; F263-G274 WeakPolarHBondContact O-CA 3.42Å; G274-H276 VanDerWaalsContact C-N 3.29Å; G274-H276 PolarHBondContact O-N 3.17Å; G274-E277 PolarHBondContact O-N 3.3Å; G274-T278 VanDerWaalsContact O-CB 3.25Å; G274-T278 WeakPolarHBondContact O-CB 3.37Å; G274-T278 PolarHBondContact O-N 2.64Å; G274-T278 PolarHBondContact O-OG1 3.47Å
275I98.5Very high97.3Very high1 Ų147 Ų471%0.00526%0.26CS..Hα-helixtrans-62.7-32.8-177.256158.6000113.8M154 T161 L179 I262 F263 T279 I310 M314M154-I275 HydrophobicContact CE-CD1 3.61Å; M154-I275 HydrophobicContact SD-CB 4.33Å; M154-I275 HydrophobicContact SD-CD1 4.16Å; M154-I275 HydrophobicContact SD-CG2 4.39Å; T161-I275 HydrophobicContact CG2-CG2 3.87Å; L179-I275 HydrophobicContact CD2-CG2 4.22Å; I262-I275 HydrophobicContact CB-CG1 4.42Å; I262-I275 HydrophobicContact CB-CG2 4.13Å; I262-I275 HydrophobicContact CD1-CD1 3.77Å; I262-I275 HydrophobicContact CD1-CG1 4.47Å; I262-I275 HydrophobicContact CG1-CD1 4.34Å; I262-I275 PolarHBondContact O-N 3.08Å; F263-I275 HydrophobicContact CD1-CG1 4.35Å; F263-I275 HydrophobicContact CE1-CD1 4.25Å; F263-I275 HydrophobicContact CE1-CG1 4.11Å; F263-I275 HydrophobicContact CE2-CD1 4.18Å; F263-I275 HydrophobicContact CE2-CG1 4.47Å; F263-I275 HydrophobicContact CZ-CD1 3.86Å; F263-I275 HydrophobicContact CZ-CG1 4.18Å; I275-T279 VanDerWaalsContact O-CB 3.3Å; I275-T279 WeakPolarHBondContact O-CB 3.46Å; I275-T279 PolarHBondContact O-N 3.02Å; I275-T279 PolarHBondContact O-OG1 2.85Å; I275-I310 HydrophobicContact CD1-CD1 4.16Å; I275-M314 HydrophobicContact CD1-CG 4.34Å; I275-M314 HydrophobicContact CD1-SD 3.66Å; I275-M314 HydrophobicContact CG1-SD 3.89Å
276H98.5Very high97.3Very high26 Ų2646.9 Ų46.912%0.1226%0.26CS..Hα-helixtrans-67.9-48.8178.360.3-72.2000111.1F263 G274 T279 F280 M314 E317 I318F263-H276 HydrophobicContact CD1-CB 4.29Å; F263-H276 AromaticContact CD1-CG 3.99Å; F263-H276 AromaticContact CD1-ND1 3.34Å; F263-H276 VanDerWaalsContact CD1-ND1 3.34Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.41Å; F263-H276 HydrophobicContact CE1-CB 4.26Å; F263-H276 PolarHBondContact O-CE1 3.43Å; G274-H276 VanDerWaalsContact C-N 3.29Å; G274-H276 PolarHBondContact O-N 3.17Å; H276-T279 PolarHBondContact O-N 2.9Å; H276-F280 PolarHBondContact O-N 2.81Å; H276-M314 HydrophobicContact CB-SD 3.83Å; H276-E317 HydrophobicContact CB-CB 3.63Å; H276-E317 HydrophobicContact CB-CG 4.3Å; H276-I318 HydrophobicContact CB-CG1 4.41Å
277E98.3Very high97.2Very high73 Ų7348.7 Ų48.734%0.34126%0.264SS..Hα-helixtrans-69.2-39.1176.7-174.2-175.4-177.500111.4C273 G274 T279 F280 N281 L321C273-E277 HydrophobicContact CB-CB 4.02Å; C273-E277 HydrophobicContact CB-CG 3.95Å; C273-E277 WeakPolarHBondContact CB-OE2 3.29Å; C273-E277 PolarHBondContact SG-OE1 2.89Å; C273-E277 VanDerWaalsContact SG-OE1 3.4Å; C273-E277 PolarHBondContact SG-OE2 3.3Å; G274-E277 PolarHBondContact O-N 3.3Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 2.83Å; E277-F280 WeakPolarHBondContact O-CB 3.3Å; E277-F280 PolarHBondContact O-N 3.21Å; E277-N281 VanDerWaalsContact O-CB 3.31Å; E277-N281 WeakPolarHBondContact O-CB 3.44Å; E277-N281 PolarHBondContact O-N 3.43Å; E277-N281 PolarHBondContact O-ND2 3.08Å; E277-L321 HydrophobicContact CB-CD1 4.27Å
278T98.5Very high97.3Very high15 Ų1550.5 Ų50.59%0.09228%0.279CS..Hα-helixtrans-61.5-38.5173.1-59.80000111.5T163 L177 C273 G274 S282T163-T278 HydrophobicContact CG2-CG2 3.96Å; T163-T278 PolarHBondContact OG1-O 3.19Å; L177-T278 HydrophobicContact CB-CG2 3.73Å; L177-T278 HydrophobicContact CD1-CG2 4.02Å; L177-T278 WeakPolarHBondContact CD1-O 3.45Å; C273-T278 PolarHBondContact O-OG1 2.89Å; G274-T278 VanDerWaalsContact O-CB 3.25Å; G274-T278 WeakPolarHBondContact O-CB 3.37Å; G274-T278 PolarHBondContact O-N 2.64Å; G274-T278 PolarHBondContact O-OG1 3.47Å; T278-S282 WeakPolarHBondContact O-CB 3.46Å; T278-S282 PolarHBondContact O-N 3.15Å
279T98.7Very high97.3Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-66.7-46.1174.3-580000110.8I152 T163 I275 H276 E277 N281 S282 I283 T298 I318I152-T279 HydrophobicContact CD1-CG2 3.97Å; I152-T279 HydrophobicContact CG1-CG2 4.49Å; I152-T279 HydrophobicContact CG2-CG2 4.22Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.36Å; I275-T279 VanDerWaalsContact O-CB 3.3Å; I275-T279 WeakPolarHBondContact O-CB 3.46Å; I275-T279 PolarHBondContact O-N 3.02Å; I275-T279 PolarHBondContact O-OG1 2.85Å; H276-T279 PolarHBondContact O-N 2.9Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 2.83Å; T279-N281 PolarHBondContact O-N 2.98Å; T279-S282 WeakPolarHBondContact O-CB 3.27Å; T279-S282 PolarHBondContact O-N 3.41Å; T279-I283 HydrophobicContact CG2-CD1 4.47Å; T279-I283 WeakPolarHBondContact O-CG1 3.35Å; T279-I283 PolarHBondContact O-N 2.84Å; T279-I283 VanDerWaalsContact O-N 3.13Å; T279-T298 HydrophobicContact CG2-CG2 4.08Å; T279-I318 HydrophobicContact CG2-CD1 3.87Å
280F98.5Very high97.4Very high36 Ų3652.6 Ų52.616%0.15827%0.274CS..Hα-helixtrans-58.1-47.3175.5168.6-94.7000112.3H276 E277 S282 I283 M284 Y295 L321H276-F280 PolarHBondContact O-N 2.81Å; E277-F280 WeakPolarHBondContact O-CB 3.3Å; E277-F280 PolarHBondContact O-N 3.21Å; F280-S282 VanDerWaalsContact C-N 3.31Å; F280-S282 PolarHBondContact O-N 3.42Å; F280-I283 PolarHBondContact O-N 2.96Å; F280-I283 VanDerWaalsContact O-N 3.16Å; F280-M284 HydrophobicContact CD1-CG 4.21Å; F280-M284 HydrophobicContact CD2-CG 4.41Å; F280-M284 HydrophobicContact CE1-CG 3.69Å; F280-M284 HydrophobicContact CE2-CE 3.85Å; F280-M284 HydrophobicContact CE2-CG 3.91Å; F280-M284 HydrophobicContact CE2-SD 4.39Å; F280-M284 HydrophobicContact CZ-CE 4.17Å; F280-M284 HydrophobicContact CZ-CG 3.52Å; F280-M284 HydrophobicContact CZ-SD 4.12Å; F280-M284 WeakPolarHBondContact O-CG 3.31Å; F280-M284 PolarHBondContact O-N 3.48Å; F280-Y295 HydrophobicContact CD2-CE1 4.43Å; F280-Y295 WeakPolarHBondContact CD2-OH 3.36Å; F280-Y295 VanDerWaalsContact CE2-OH 3.27Å; F280-Y295 WeakPolarHBondContact CE2-OH 3.36Å; F280-L321 HydrophobicContact CB-CB 4.42Å; F280-L321 HydrophobicContact CB-CD1 3.97Å; F280-L321 HydrophobicContact CD2-CB 3.71Å; F280-L321 HydrophobicContact CE2-CB 4.08Å; F280-L321 VanDerWaalsContact CE2-O 3.26Å; F280-L321 WeakPolarHBondContact CE2-O 3.38Å; F280-L321 HydrophobicContact CG-CB 3.97Å; F280-L321 HydrophobicContact CG-CD1 4.17Å
281N98.4Very high97.5Very high50 Ų5052.5 Ų52.527%0.26727%0.271SS..Hα-helixtrans-62.8-37.6-179.9-74.4-22.5000111.9L177 E277 T279 M284 K285L177-N281 HydrophobicContact CD1-CB 3.78Å; E277-N281 VanDerWaalsContact O-CB 3.31Å; E277-N281 WeakPolarHBondContact O-CB 3.44Å; E277-N281 PolarHBondContact O-N 3.43Å; E277-N281 PolarHBondContact O-ND2 3.08Å; T279-N281 PolarHBondContact O-N 2.98Å; N281-M284 PolarHBondContact O-N 2.91Å; N281-K285 WeakPolarHBondContact O-CG 3.11Å; N281-K285 PolarHBondContact O-N 3.48Å; N281-K285 VanDerWaalsContact O-N 3.08Å
282S98.6Very high97.6Very high0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-62.5-44.7173.7176.30000111.8I152 T163 P165 A175 T278 T279 F280 M284 K285 C286I152-S282 WeakPolarHBondContact CD1-OG 3.4Å; T163-S282 WeakPolarHBondContact OG1-CB 3.3Å; P165-S282 WeakPolarHBondContact CD-OG 3.38Å; P165-S282 WeakPolarHBondContact CG-OG 3.32Å; A175-S282 WeakPolarHBondContact O-CB 3.46Å; A175-S282 PolarHBondContact O-OG 2.92Å; T278-S282 WeakPolarHBondContact O-CB 3.46Å; T278-S282 PolarHBondContact O-N 3.15Å; T279-S282 WeakPolarHBondContact O-CB 3.27Å; T279-S282 PolarHBondContact O-N 3.41Å; F280-S282 VanDerWaalsContact C-N 3.31Å; F280-S282 PolarHBondContact O-N 3.42Å; S282-M284 VanDerWaalsContact C-N 3.32Å; S282-M284 PolarHBondContact O-N 2.78Å; S282-K285 PolarHBondContact O-N 2.84Å; S282-C286 PolarHBondContact O-SG 3.39Å
283I98.4Very high97.8Very high0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-63.3-39.1174.4-61.6170.8000111.1I152 T279 F280 K285 C286 R291 L294 Y295I152-I283 HydrophobicContact CD1-CD1 4.41Å; I152-I283 HydrophobicContact CD1-CG1 3.69Å; I152-I283 HydrophobicContact CG2-CD1 4.05Å; I152-I283 HydrophobicContact CG2-CG1 4.26Å; T279-I283 HydrophobicContact CG2-CD1 4.47Å; T279-I283 WeakPolarHBondContact O-CG1 3.35Å; T279-I283 PolarHBondContact O-N 2.84Å; T279-I283 VanDerWaalsContact O-N 3.13Å; F280-I283 PolarHBondContact O-N 2.96Å; F280-I283 VanDerWaalsContact O-N 3.16Å; I283-K285 PolarHBondContact O-N 2.97Å; I283-C286 VanDerWaalsContact O-CB 3.29Å; I283-C286 WeakPolarHBondContact O-CB 3.38Å; I283-C286 PolarHBondContact O-N 3.44Å; I283-R291 HydrophobicContact CG2-CB 3.88Å; I283-R291 HydrophobicContact CG2-CG 3.87Å; I283-R291 PolarHBondContact O-NE 3.38Å; I283-L294 HydrophobicContact CD1-CB 4.39Å; I283-L294 HydrophobicContact CG1-CB 4.11Å; I283-L294 HydrophobicContact CG1-CD1 4.44Å; I283-L294 HydrophobicContact CG2-CB 4.25Å; I283-L294 HydrophobicContact CG2-CD1 4.3Å; I283-Y295 HydrophobicContact CB-CE1 4.38Å; I283-Y295 HydrophobicContact CD1-CD1 3.4Å; I283-Y295 HydrophobicContact CD1-CE1 3.4Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.4Å; I283-Y295 HydrophobicContact CD1-CG 4.11Å; I283-Y295 HydrophobicContact CG1-CE1 4.49Å; I283-Y295 HydrophobicContact CG2-CD1 4.46Å; I283-Y295 HydrophobicContact CG2-CD2 4.1Å; I283-Y295 HydrophobicContact CG2-CE1 4.09Å; I283-Y295 HydrophobicContact CG2-CE2 3.68Å; I283-Y295 HydrophobicContact CG2-CG 4.46Å
284M97.7Very high97.8Very high54 Ų5448.1 Ų48.127%0.26624%0.24SC..Hα-helixtrans-67.6-21.4178.2-76.1-64.1127.500113.9F280 N281 S282 C286 R291 Y295F280-M284 HydrophobicContact CD1-CG 4.21Å; F280-M284 HydrophobicContact CD2-CG 4.41Å; F280-M284 HydrophobicContact CE1-CG 3.69Å; F280-M284 HydrophobicContact CE2-CE 3.85Å; F280-M284 HydrophobicContact CE2-CG 3.91Å; F280-M284 HydrophobicContact CE2-SD 4.39Å; F280-M284 HydrophobicContact CZ-CE 4.17Å; F280-M284 HydrophobicContact CZ-CG 3.52Å; F280-M284 HydrophobicContact CZ-SD 4.12Å; F280-M284 WeakPolarHBondContact O-CG 3.31Å; F280-M284 PolarHBondContact O-N 3.48Å; N281-M284 PolarHBondContact O-N 2.91Å; S282-M284 VanDerWaalsContact C-N 3.32Å; S282-M284 PolarHBondContact O-N 2.78Å; M284-C286 VanDerWaalsContact C-N 3.31Å; M284-R291 PolarHBondContact O-NH2 3.48Å; M284-R291 PolarHBondContact SD-NH1 3.46Å; M284-Y295 HydrophobicContact CE-CE2 4.15Å; M284-Y295 WeakPolarHBondContact CE-OH 3.49Å
285K98.3Very high97.8Very high113 Ų11348 Ų4849%0.49124%0.239SC..Hα-helixtrans-78.4-14.7171.2-73.5-177.2174.5-163.50113.5A175 L177 N281 S282 I283A175-K285 HydrophobicContact CB-CB 3.72Å; L177-K285 HydrophobicContact CD2-CD 4.1Å; L177-K285 VanDerWaalsContact CD2-NZ 3.34Å; N281-K285 WeakPolarHBondContact O-CG 3.11Å; N281-K285 PolarHBondContact O-N 3.48Å; N281-K285 VanDerWaalsContact O-N 3.08Å; S282-K285 PolarHBondContact O-N 2.84Å; I283-K285 PolarHBondContact O-N 2.97Å
286C97.9Very high97.7Very high2 Ų249.3 Ų49.31%0.01425%0.249CC..SBendtrans-84.6159.6178.1-59.90000111.7P165 L172 A175 S282 I283 M284 I290 R291 L294P165-C286 VanDerWaalsContact CB-SG 3.58Å; L172-C286 HydrophobicContact CD1-CB 4.5Å; A175-C286 VanDerWaalsContact CB-SG 3.56Å; S282-C286 PolarHBondContact O-SG 3.39Å; I283-C286 VanDerWaalsContact O-CB 3.29Å; I283-C286 WeakPolarHBondContact O-CB 3.38Å; I283-C286 PolarHBondContact O-N 3.44Å; M284-C286 VanDerWaalsContact C-N 3.31Å; C286-I290 HydrophobicContact CB-CD1 3.96Å; C286-I290 HydrophobicContact CB-CG1 4.11Å; C286-R291 VanDerWaalsContact O-CZ 3.29Å; C286-R291 PolarHBondContact O-NE 2.92Å; C286-R291 PolarHBondContact O-NH2 2.93Å; C286-L294 HydrophobicContact CB-CD1 3.74Å; C286-L294 VanDerWaalsContact SG-CD1 3.56Å
287D96.5Very high97.7Very high116 Ų11649.7 Ų49.762%0.6225%0.252SS*.  trans-59.3142.7175-68.9-41.4000112D289 I290 R291D287-D289 PolarHBondContact O-N 3.15Å; D287-D289 VanDerWaalsContact O-N 3.15Å; D287-I290 VanDerWaalsContact O-CG1 3.29Å; D287-I290 WeakPolarHBondContact O-CG1 3.4Å; D287-I290 PolarHBondContact O-N 2.92Å; D287-R291 WeakPolarHBondContact O-CG 3.42Å; D287-R291 PolarHBondContact O-N 3.16Å
288V95.7Very high97.7Very high98 Ų9846.2 Ų46.259%0.59424%0.236SC*.Hα-helixtrans-55.2-36.8-174.4171.70000112.1I290 R291V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 2.97Å; V288-R291 PolarHBondContact O-N 2.82Å
289D95.7Very high97.7Very high145 Ų14545.5 Ų45.578%0.77523%0.232SC*.Hα-helixtrans-65.3-29.6-174.3-62.8-23.4000113D287D287-D289 PolarHBondContact O-N 3.15Å; D287-D289 VanDerWaalsContact O-N 3.15Å
290I96.8Very high97.7Very high21 Ų2145.5 Ų45.511%0.10823%0.232CC..Hα-helixtrans-97-14.1-177.766.8165.2000113.2Y167 L172 C286 D287 V288 K292 D293 L294Y167-I290 HydrophobicContact CD2-CB 4.01Å; Y167-I290 HydrophobicContact CD2-CD1 4.32Å; Y167-I290 HydrophobicContact CD2-CG2 3.56Å; Y167-I290 HydrophobicContact CE2-CB 4.23Å; Y167-I290 HydrophobicContact CE2-CG2 3.44Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.44Å; Y167-I290 HydrophobicContact CG-CG2 4.35Å; L172-I290 HydrophobicContact CD1-CD1 3.52Å; C286-I290 HydrophobicContact CB-CD1 3.96Å; C286-I290 HydrophobicContact CB-CG1 4.11Å; D287-I290 VanDerWaalsContact O-CG1 3.29Å; D287-I290 WeakPolarHBondContact O-CG1 3.4Å; D287-I290 PolarHBondContact O-N 2.92Å; V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 2.97Å; I290-K292 PolarHBondContact O-N 3.1Å; I290-D293 PolarHBondContact O-N 3.05Å; I290-L294 HydrophobicContact CD1-CD1 4.15Å; I290-L294 HydrophobicContact CG1-CD1 4.25Å; I290-L294 WeakPolarHBondContact O-CG 3.4Å; I290-L294 PolarHBondContact O-N 2.86Å
291R97.9Very high97.7Very high50 Ų5043.8 Ų43.819%0.18922%0.224CC..Hα-helixtrans-57.7-36.5-175.4-64.3-175.6-170.7177.10.7113I283 M284 C286 D287 V288 D293 L294 Y295I283-R291 HydrophobicContact CG2-CB 3.88Å; I283-R291 HydrophobicContact CG2-CG 3.87Å; I283-R291 PolarHBondContact O-NE 3.38Å; M284-R291 PolarHBondContact O-NH2 3.48Å; M284-R291 PolarHBondContact SD-NH1 3.46Å; C286-R291 VanDerWaalsContact O-CZ 3.29Å; C286-R291 PolarHBondContact O-NE 2.92Å; C286-R291 PolarHBondContact O-NH2 2.93Å; D287-R291 WeakPolarHBondContact O-CG 3.42Å; D287-R291 PolarHBondContact O-N 3.16Å; V288-R291 PolarHBondContact O-N 2.82Å; R291-D293 VanDerWaalsContact C-N 3.29Å; R291-D293 PolarHBondContact O-N 3.34Å; R291-L294 PolarHBondContact O-N 2.93Å; R291-Y295 HydrophobicContact CB-CD2 4.37Å; R291-Y295 HydrophobicContact CB-CE2 4.31Å; R291-Y295 WeakPolarHBondContact O-CB 3.33Å; R291-Y295 WeakPolarHBondContact O-CD2 3.32Å; R291-Y295 PolarHBondContact O-N 3.3Å
292K97.3Very high97.7Very high140 Ų14041.8 Ų41.861%0.60922%0.215SC*.Hα-helixtrans-57.9-44.5177.1-179.2-172.9173.4-1700111.2I290 A296 M326I290-K292 PolarHBondContact O-N 3.1Å; K292-A296 WeakPolarHBondContact O-CB 3.28Å; K292-A296 PolarHBondContact O-N 2.87Å; K292-A296 VanDerWaalsContact O-N 3.09Å; K292-M326 HydrophobicContact CB-SD 4.11Å; K292-M326 HydrophobicContact CG-SD 4.48Å
293D97.3Very high97.6Very high69 Ų6943.9 Ų43.937%0.36924%0.237SC..Hα-helixtrans-73.6-35.4-179.2-63.8-35000111.7T150 I290 R291 A296 N297T150-D293 HydrophobicContact CG2-CB 3.9Å; I290-D293 PolarHBondContact O-N 3.05Å; R291-D293 VanDerWaalsContact C-N 3.29Å; R291-D293 PolarHBondContact O-N 3.34Å; D293-A296 PolarHBondContact O-N 3.36Å; D293-N297 WeakPolarHBondContact O-CB 3.49Å; D293-N297 PolarHBondContact O-N 3.4Å; D293-N297 PolarHBondContact O-ND2 2.79Å
294L98.1Very high97.6Very high0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-62.4-48.7173.3-60.8-179.3000111.3G151 P165 I283 C286 I290 R291 A296 N297 T298G151-L294 VanDerWaalsContact C-CD2 3.47Å; G151-L294 WeakPolarHBondContact O-CD2 3.24Å; P165-L294 HydrophobicContact CB-CD1 4.06Å; P165-L294 HydrophobicContact CB-CD2 4.3Å; I283-L294 HydrophobicContact CD1-CB 4.39Å; I283-L294 HydrophobicContact CG1-CB 4.11Å; I283-L294 HydrophobicContact CG1-CD1 4.44Å; I283-L294 HydrophobicContact CG2-CB 4.25Å; I283-L294 HydrophobicContact CG2-CD1 4.3Å; C286-L294 HydrophobicContact CB-CD1 3.74Å; C286-L294 VanDerWaalsContact SG-CD1 3.56Å; I290-L294 HydrophobicContact CD1-CD1 4.15Å; I290-L294 HydrophobicContact CG1-CD1 4.25Å; I290-L294 WeakPolarHBondContact O-CG 3.4Å; I290-L294 PolarHBondContact O-N 2.86Å; R291-L294 PolarHBondContact O-N 2.93Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 2.83Å; L294-N297 CarbonylContact O-C 3.59Å; L294-N297 VanDerWaalsContact O-C 3.29Å; L294-N297 PolarHBondContact O-N 3.37Å; L294-N297 VanDerWaalsContact O-N 3.11Å; L294-T298 PolarHBondContact O-N 2.85Å
295Y98.1Very high97.6Very high0 Ų041.8 Ų41.80%023%0.227CC..Hα-helixtrans-62.6-35.7177.3-81-52.6000113.7F280 I283 M284 R291 N297 I318 A322 M326 I328 K329F280-Y295 HydrophobicContact CD2-CE1 4.43Å; F280-Y295 WeakPolarHBondContact CD2-OH 3.36Å; F280-Y295 VanDerWaalsContact CE2-OH 3.27Å; F280-Y295 WeakPolarHBondContact CE2-OH 3.36Å; I283-Y295 HydrophobicContact CB-CE1 4.38Å; I283-Y295 HydrophobicContact CD1-CD1 3.4Å; I283-Y295 HydrophobicContact CD1-CE1 3.4Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.4Å; I283-Y295 HydrophobicContact CD1-CG 4.11Å; I283-Y295 HydrophobicContact CG1-CE1 4.49Å; I283-Y295 HydrophobicContact CG2-CD1 4.46Å; I283-Y295 HydrophobicContact CG2-CD2 4.1Å; I283-Y295 HydrophobicContact CG2-CE1 4.09Å; I283-Y295 HydrophobicContact CG2-CE2 3.68Å; I283-Y295 HydrophobicContact CG2-CG 4.46Å; M284-Y295 HydrophobicContact CE-CE2 4.15Å; M284-Y295 WeakPolarHBondContact CE-OH 3.49Å; R291-Y295 HydrophobicContact CB-CD2 4.37Å; R291-Y295 HydrophobicContact CB-CE2 4.31Å; R291-Y295 WeakPolarHBondContact O-CB 3.33Å; R291-Y295 WeakPolarHBondContact O-CD2 3.32Å; R291-Y295 PolarHBondContact O-N 3.3Å; Y295-N297 PolarHBondContact O-N 3.01Å; Y295-I318 HydrophobicContact CD1-CG2 4Å; Y295-I318 HydrophobicContact CE1-CG2 3.95Å; Y295-A322 HydrophobicContact CD1-CB 4.3Å; Y295-A322 HydrophobicContact CE1-CB 3.74Å; Y295-A322 HydrophobicContact CE2-CB 4.3Å; Y295-M326 HydrophobicContact CD2-CB 3.92Å; Y295-M326 HydrophobicContact CD2-CG 3.71Å; Y295-M326 HydrophobicContact CD2-SD 4.03Å; Y295-M326 HydrophobicContact CE2-CB 4.41Å; Y295-M326 HydrophobicContact CE2-CG 3.95Å; Y295-M326 HydrophobicContact CG-CB 4.37Å; Y295-I328 HydrophobicContact CD1-CD1 3.38Å; Y295-I328 HydrophobicContact CD2-CD1 4.36Å; Y295-I328 HydrophobicContact CE1-CD1 4.1Å; Y295-I328 HydrophobicContact CG-CD1 3.54Å; Y295-I328 WeakPolarHBondContact O-CA 3.34Å; Y295-K329 PolarHBondContact O-N 2.81Å
296A97.6Very high97.6Very high27 Ų2739.5 Ų39.522%0.22322%0.219CC..THydrogen-bonded Turntrans-77.3-7.5178.100000113.3K292 D293 L294 K329K292-A296 WeakPolarHBondContact O-CB 3.28Å; K292-A296 PolarHBondContact O-N 2.87Å; K292-A296 VanDerWaalsContact O-N 3.09Å; D293-A296 PolarHBondContact O-N 3.36Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 2.83Å; A296-K329 WeakPolarHBondContact O-CB 3.39Å
297N97.9Very high97.7Very high34 Ų3440.1 Ų40.118%0.18222%0.221CC..THydrogen-bonded Turntrans-140.453.5-175.9-62.2-68.4000112R148 G151 I152 D293 L294 Y295 V299 I331R148-N297 WeakPolarHBondContact CD-OD1 3.41Å; R148-N297 PolarHBondContact NE-OD1 3.15Å; G151-N297 WeakPolarHBondContact CA-O 3.27Å; I152-N297 PolarHBondContact N-O 3.41Å; D293-N297 WeakPolarHBondContact O-CB 3.49Å; D293-N297 PolarHBondContact O-N 3.4Å; D293-N297 PolarHBondContact O-ND2 2.79Å; L294-N297 CarbonylContact O-C 3.59Å; L294-N297 VanDerWaalsContact O-C 3.29Å; L294-N297 PolarHBondContact O-N 3.37Å; L294-N297 VanDerWaalsContact O-N 3.11Å; Y295-N297 PolarHBondContact O-N 3.01Å; N297-V299 PolarHBondContact O-N 3Å; N297-I331 HydrophobicContact CB-CD1 4.39Å
298T98.6Very high97.8Very high0 Ų038.8 Ų38.80%022%0.219CC..EExtended strand (participates in β ladder)trans-82.1106.6171.2-58.20000109.7I152 T279 L294 L300 I318 K329 I330 I331I152-T298 HydrophobicContact CG2-CG2 4.07Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.43Å; I152-T298 CarbonylContact O-C 3.53Å; I152-T298 WeakPolarHBondContact O-CA 3.32Å; T279-T298 HydrophobicContact CG2-CG2 4.08Å; L294-T298 PolarHBondContact O-N 2.85Å; T298-L300 HydrophobicContact CG2-CD2 4.46Å; T298-I318 HydrophobicContact CG2-CD1 4.4Å; T298-K329 PolarHBondContact N-O 2.79Å; T298-I330 HydrophobicContact CG2-CD1 3.75Å; T298-I330 CarbonylContact O-C 3.54Å; T298-I330 WeakPolarHBondContact O-CA 3.31Å; T298-I331 PolarHBondContact O-N 3.43Å
299V98.7Very high97.9Very high0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-98.5128.8-178.5-179.20000110.4L143 I152 V153 M154 N297 I331L143-V299 HydrophobicContact CD1-CG2 3.81Å; I152-V299 PolarHBondContact O-N 2.79Å; V153-V299 WeakPolarHBondContact CA-O 3.49Å; V153-V299 HydrophobicContact CG2-CB 4.25Å; M154-V299 PolarHBondContact N-O 3.13Å; N297-V299 PolarHBondContact O-N 3Å; V299-I331 CarbonylContact C-O 3.18Å; V299-I331 WeakPolarHBondContact CA-O 3.37Å; V299-I331 HydrophobicContact CG2-CB 4.1Å; V299-I331 HydrophobicContact CG2-CD1 3.92Å; V299-I331 HydrophobicContact CG2-CG2 4.35Å
300L98.7Very high98Very high0 Ų028.6 Ų28.60%017%0.168CC..EExtended strand (participates in β ladder)trans-90.7132.6173.3-50.4-168.3000109.9M154 T298 T305 I310 A311 M314 I330 I331 A332 R336M154-L300 HydrophobicContact CB-CD2 4.12Å; M154-L300 HydrophobicContact CE-CD2 3.73Å; T298-L300 HydrophobicContact CG2-CD2 4.46Å; L300-T305 HydrophobicContact CB-CG2 4.39Å; L300-I310 HydrophobicContact CD1-CG2 3.98Å; L300-A311 HydrophobicContact CD1-CB 4.26Å; L300-M314 HydrophobicContact CD2-CE 4.34Å; L300-I330 HydrophobicContact CD1-CG2 3.79Å; L300-I330 HydrophobicContact CD2-CG2 3.92Å; L300-I330 HydrophobicContact CG-CG2 3.7Å; L300-I331 PolarHBondContact N-O 3.27Å; L300-A332 HydrophobicContact CB-CB 4.36Å; L300-A332 HydrophobicContact CD1-CB 4.07Å; L300-A332 HydrophobicContact CG-CB 4.31Å; L300-R336 WeakPolarHBondContact O-CB 3.45Å
301S98.4Very high98.1Very high0 Ų028.8 Ų28.80%017%0.173CC..EExtended strand (participates in β ladder)trans-137.6153-178.6173.90000111.5S142 M154 D155 S156 T305S142-S301 WeakPolarHBondContact CB-OG 3.36Å; S142-S301 PolarHBondContact OG-OG 3.24Å; M154-S301 PolarHBondContact O-N 3.18Å; D155-S301 CarbonylContact C-O 3.51Å; D155-S301 WeakPolarHBondContact CA-O 3.5Å; D155-S301 WeakPolarHBondContact OD1-CB 3.26Å; D155-S301 PolarHBondContact OD1-OG 3.34Å; S156-S301 PolarHBondContact N-O 3.48Å; S301-T305 WeakPolarHBondContact O-CG2 3.21Å; S301-T305 PolarHBondContact O-OG1 3.34Å
302G97.5Very high98.2Very high8 Ų831.5 Ų31.58%0.08219%0.191CC..SBendtrans91.3160.2173.900000114.3S156 T304 T305 R336S156-G302 CarbonylContact O-C 3.5Å; S156-G302 WeakPolarHBondContact O-CA 3.4Å; G302-T304 PolarHBondContact O-N 3.42Å; G302-T305 PolarHBondContact O-N 2.92Å; G302-T305 VanDerWaalsContact O-N 3.15Å; G302-T305 PolarHBondContact O-OG1 3.44Å; G302-R336 PolarHBondContact N-O 3.43Å; G302-R336 VanDerWaalsContact N-O 3.14Å
303G97.1Very high98.2Very high44 Ų4425.3 Ų25.345%0.45416%0.164SC..G310 helixtrans-63.5-34.7-169.100000114.8S156 T305 M306S156-G303 PolarHBondContact O-N 3.3Å; G303-T305 PolarHBondContact O-N 3.32Å; G303-M306 WeakPolarHBondContact O-CB 3.33Å; G303-M306 VanDerWaalsContact O-CG 3.25Å; G303-M306 WeakPolarHBondContact O-CG 3.42Å; G303-M306 PolarHBondContact O-N 3.12Å
304T98.3Very high98.3Very high10 Ų1022 Ų226%0.06115%0.146CC..G310 helixtrans-70.2-21.4179.2-65.20000111.7S156 G157 G183 L186 I262 G302 M306 Y307S156-T304 WeakPolarHBondContact O-CB 3.5Å; S156-T304 PolarHBondContact O-N 3.38Å; S156-T304 VanDerWaalsContact OG-CB 3.3Å; S156-T304 WeakPolarHBondContact OG-CB 3.21Å; S156-T304 WeakPolarHBondContact OG-CG2 3.32Å; G157-T304 PolarHBondContact O-OG1 2.9Å; G183-T304 WeakPolarHBondContact CA-OG1 3.47Å; G183-T304 PolarHBondContact N-OG1 2.93Å; L186-T304 HydrophobicContact CD1-CG2 3.78Å; I262-T304 HydrophobicContact CG2-CG2 4.46Å; G302-T304 PolarHBondContact O-N 3.42Å; T304-M306 PolarHBondContact O-N 3.21Å; T304-Y307 HydrophobicContact CG2-CE2 4.1Å; T304-Y307 WeakPolarHBondContact O-CD2 3.45Å
305T98.6Very high98.3Very high1 Ų124.9 Ų24.91%0.00616%0.159CC..G310 helixtrans-79.13.5172.977.30000113.4M154 L300 S301 G302 G303 Y307 I310 R336M154-T305 HydrophobicContact CE-CG2 3.51Å; M154-T305 HydrophobicContact SD-CG2 4.11Å; L300-T305 HydrophobicContact CB-CG2 4.39Å; S301-T305 WeakPolarHBondContact O-CG2 3.21Å; S301-T305 PolarHBondContact O-OG1 3.34Å; G302-T305 PolarHBondContact O-N 2.92Å; G302-T305 VanDerWaalsContact O-N 3.15Å; G302-T305 PolarHBondContact O-OG1 3.44Å; G303-T305 PolarHBondContact O-N 3.32Å; T305-Y307 VanDerWaalsContact C-N 3.27Å; T305-Y307 PolarHBondContact O-N 2.9Å; T305-I310 VanDerWaalsContact O-CG2 3.29Å; T305-I310 WeakPolarHBondContact O-CG2 3.47Å; T305-R336 VanDerWaalsContact O-CZ 3.24Å; T305-R336 PolarHBondContact O-NE 3.21Å; T305-R336 PolarHBondContact O-NH2 3.09Å; T305-R336 WeakPolarHBondContact OG1-CD 3.43Å; T305-R336 PolarHBondContact OG1-NE 3Å
306M98.3Very high98.3Very high65 Ų6528.7 Ų28.732%0.3218%0.176SC..G310 helixtrans-78.6-7.2178.8-65.4-62.2-62.200113.8G303 T304 R336 K337G303-M306 WeakPolarHBondContact O-CB 3.33Å; G303-M306 VanDerWaalsContact O-CG 3.25Å; G303-M306 WeakPolarHBondContact O-CG 3.42Å; G303-M306 PolarHBondContact O-N 3.12Å; T304-M306 PolarHBondContact O-N 3.21Å; M306-R336 HydrophobicContact SD-CG 3.52Å; M306-R336 VanDerWaalsContact SD-CG 3.52Å; M306-K337 HydrophobicContact CE-CG 4.42Å; M306-K337 HydrophobicContact CG-CB 3.98Å; M306-K337 HydrophobicContact SD-CB 3.91Å; M306-K337 HydrophobicContact SD-CG 4.23Å
307Y98.5Very high98.4Very high14 Ų1429.2 Ų29.26%0.05517%0.174CC..SBendtrans-56.2132.1177.5-70.5-56.8000112L186 K214 C218 V220 P259 T304 T305 G309 I310L186-Y307 HydrophobicContact CD1-CE2 3.86Å; K214-Y307 VanDerWaalsContact CD-OH 3.29Å; K214-Y307 WeakPolarHBondContact CD-OH 3.34Å; K214-Y307 HydrophobicContact CG-CE1 4.27Å; K214-Y307 WeakPolarHBondContact CG-OH 3.47Å; C218-Y307 HydrophobicContact CB-CD1 4.07Å; C218-Y307 HydrophobicContact CB-CE1 3.58Å; V220-Y307 HydrophobicContact CG2-CD2 4.31Å; V220-Y307 HydrophobicContact CG2-CG 4.32Å; P259-Y307 HydrophobicContact CB-CD1 4.37Å; P259-Y307 HydrophobicContact CB-CD2 3.76Å; P259-Y307 HydrophobicContact CB-CE1 4.28Å; P259-Y307 HydrophobicContact CB-CE2 3.62Å; P259-Y307 HydrophobicContact CB-CG 4.13Å; T304-Y307 HydrophobicContact CG2-CE2 4.1Å; T304-Y307 WeakPolarHBondContact O-CD2 3.45Å; T305-Y307 VanDerWaalsContact C-N 3.27Å; T305-Y307 PolarHBondContact O-N 2.9Å; Y307-G309 PolarHBondContact O-N 3.37Å; Y307-I310 VanDerWaalsContact O-CG2 3.23Å; Y307-I310 WeakPolarHBondContact O-CG2 3.49Å; Y307-I310 PolarHBondContact O-N 2.91Å
308P98.6Very high98.4Very high88 Ų8827.6 Ų27.657%0.57117%0.165SC*.THydrogen-bonded Turntrans-55.6140.2166.9-23.333.8000110.7V220 I310V220-P308 PolarHBondContact N-O 3.2Å; P308-I310 VanDerWaalsContact C-N 3.31Å; P308-I310 PolarHBondContact O-N 3.38Å
309G98.5Very high98.4Very high28 Ų2831.1 Ų31.129%0.28919%0.187SC..THydrogen-bonded Turntrans82.2-9.7178.400000116.1Y307 A311 D312 R313Y307-G309 PolarHBondContact O-N 3.37Å; G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 3.28Å; G309-D312 PolarHBondContact O-N 3.12Å; G309-R313 PolarHBondContact O-N 3.4Å
310I98.7Very high98.3Very high2 Ų234.9 Ų34.91%0.0122%0.218CC..Hα-helixtrans-63.6-37-176.8-164.3176.3000112.9M154 V220 I262 F263 I275 L300 T305 Y307 P308 R313 M314M154-I310 HydrophobicContact CE-CD1 4.35Å; V220-I310 HydrophobicContact CB-CB 4.32Å; V220-I310 HydrophobicContact CG2-CB 3.94Å; V220-I310 HydrophobicContact CG2-CG1 4.12Å; I262-I310 HydrophobicContact CD1-CD1 3.85Å; F263-I310 HydrophobicContact CE2-CG1 4.32Å; F263-I310 HydrophobicContact CZ-CG1 4.09Å; I275-I310 HydrophobicContact CD1-CD1 4.16Å; L300-I310 HydrophobicContact CD1-CG2 3.98Å; T305-I310 VanDerWaalsContact O-CG2 3.29Å; T305-I310 WeakPolarHBondContact O-CG2 3.47Å; Y307-I310 VanDerWaalsContact O-CG2 3.23Å; Y307-I310 WeakPolarHBondContact O-CG2 3.49Å; Y307-I310 PolarHBondContact O-N 2.91Å; P308-I310 VanDerWaalsContact C-N 3.31Å; P308-I310 PolarHBondContact O-N 3.38Å; I310-R313 PolarHBondContact O-N 3.34Å; I310-M314 HydrophobicContact CG1-CG 4.38Å; I310-M314 WeakPolarHBondContact O-CB 3.4Å; I310-M314 VanDerWaalsContact O-CG 3.26Å; I310-M314 WeakPolarHBondContact O-CG 3.25Å; I310-M314 PolarHBondContact O-N 3.02Å
311A98.6Very high98.3Very high25 Ų2538.2 Ų38.221%0.20724%0.235CC..Hα-helixtrans-66-43.2179.400000111.3L300 G309 M314 Q315 I330 A332L300-A311 HydrophobicContact CD1-CB 4.26Å; G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 3.28Å; A311-M314 PolarHBondContact O-N 3.16Å; A311-Q315 VanDerWaalsContact O-CB 3.3Å; A311-Q315 WeakPolarHBondContact O-CB 3.42Å; A311-Q315 PolarHBondContact O-N 2.94Å; A311-I330 HydrophobicContact CB-CG2 4.08Å; A311-A332 HydrophobicContact CB-CB 3.93Å
312D98.7Very high98.2Very high106 Ų10638.7 Ų38.757%0.56724%0.239SC*.Hα-helixtrans-67.1-41.5178.4-56.8-55.9000111.3L222 G309 Q315 K316L222-D312 HydrophobicContact CD1-CB 4.17Å; G309-D312 PolarHBondContact O-N 3.12Å; D312-Q315 WeakPolarHBondContact O-CB 3.27Å; D312-Q315 PolarHBondContact O-N 3.48Å; D312-K316 PolarHBondContact O-N 3.11Å
313R98.7Very high98.1Very high10 Ų1041.2 Ų41.24%0.03825%0.254CS..Hα-helixtrans-63.4-47.9174.5-175.263.6176.9-72.3-9.2111.4V220 A221 L222 E260 F263 G309 I310 Q315 K316 E317V220-R313 HydrophobicContact CG1-CB 3.47Å; V220-R313 VanDerWaalsContact CG1-CB 3.47Å; V220-R313 HydrophobicContact CG1-CG 3.66Å; A221-R313 WeakPolarHBondContact O-CD 3.23Å; A221-R313 PolarHBondContact O-NH1 2.83Å; L222-R313 WeakPolarHBondContact O-CD 3.32Å; E260-R313 IonicContact OE1-CZ 3.98Å; E260-R313 IonicContact OE1-NH1 3.15Å; E260-R313 IonicContact OE1-NH2 2.72Å; E260-R313 PolarHBondContact OE1-NH2 3.1Å; E260-R313 IonicContact OE2-CZ 3.36Å; E260-R313 IonicContact OE2-NH1 3.02Å; E260-R313 PolarHBondContact OE2-NH1 2.63Å; E260-R313 IonicContact OE2-NH2 3.51Å; F263-R313 HydrophobicContact CD1-CG 3.96Å; F263-R313 HydrophobicContact CE1-CB 4.24Å; F263-R313 HydrophobicContact CE1-CG 3.45Å; F263-R313 VanDerWaalsContact CE1-CG 3.45Å; F263-R313 HydrophobicContact CE2-CG 4.08Å; F263-R313 HydrophobicContact CZ-CB 3.97Å; F263-R313 HydrophobicContact CZ-CG 3.52Å; G309-R313 PolarHBondContact O-N 3.4Å; I310-R313 PolarHBondContact O-N 3.34Å; R313-Q315 VanDerWaalsContact C-N 3.27Å; R313-Q315 PolarHBondContact O-N 2.8Å; R313-K316 PolarHBondContact O-N 3.04Å; R313-E317 HydrophobicContact CG-CG 4.29Å; R313-E317 IonicContact CZ-OE1 2.74Å; R313-E317 IonicContact NE-OE1 2.67Å; R313-E317 PolarHBondContact NE-OE1 3.07Å; R313-E317 IonicContact NH2-OE1 3.58Å; R313-E317 PolarHBondContact NH2-OE1 3.03Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.26Å; R313-E317 PolarHBondContact O-N 3.18Å
314M98.6Very high97.9Very high0 Ų045.1 Ų45.10%028%0.275CS..Hα-helixtrans-58.1-40.4174.6-77.1-68.8-76.400112.1M154 F263 I275 H276 L300 I310 A311 I318 I330M154-M314 HydrophobicContact CE-CE 4.39Å; M154-M314 HydrophobicContact CG-CE 4.31Å; F263-M314 HydrophobicContact CE1-CG 4.27Å; F263-M314 HydrophobicContact CE1-SD 3.91Å; F263-M314 HydrophobicContact CZ-CG 4.17Å; F263-M314 HydrophobicContact CZ-SD 4.24Å; I275-M314 HydrophobicContact CD1-CG 4.34Å; I275-M314 HydrophobicContact CD1-SD 3.66Å; I275-M314 HydrophobicContact CG1-SD 3.89Å; H276-M314 HydrophobicContact CB-SD 3.83Å; L300-M314 HydrophobicContact CD2-CE 4.34Å; I310-M314 HydrophobicContact CG1-CG 4.38Å; I310-M314 WeakPolarHBondContact O-CB 3.4Å; I310-M314 VanDerWaalsContact O-CG 3.26Å; I310-M314 WeakPolarHBondContact O-CG 3.25Å; I310-M314 PolarHBondContact O-N 3.02Å; A311-M314 PolarHBondContact O-N 3.16Å; M314-I318 HydrophobicContact CE-CD1 3.66Å; M314-I318 WeakPolarHBondContact O-CB 3.46Å; M314-I318 WeakPolarHBondContact O-CG1 3.41Å; M314-I318 PolarHBondContact O-N 3.16Å; M314-I330 HydrophobicContact CB-CD1 4.2Å; M314-I330 HydrophobicContact CB-CG1 4.1Å; M314-I330 HydrophobicContact CB-CG2 4.41Å
315Q98.6Very high97.7Very high60 Ų6050.6 Ų50.628%0.2831%0.308SS..Hα-helixtrans-62.6-47.4177.3-177.270.960.700111A311 D312 R313 T319 I328 I330A311-Q315 VanDerWaalsContact O-CB 3.3Å; A311-Q315 WeakPolarHBondContact O-CB 3.42Å; A311-Q315 PolarHBondContact O-N 2.94Å; D312-Q315 WeakPolarHBondContact O-CB 3.27Å; D312-Q315 PolarHBondContact O-N 3.48Å; R313-Q315 VanDerWaalsContact C-N 3.27Å; R313-Q315 PolarHBondContact O-N 2.8Å; Q315-T319 PolarHBondContact NE2-OG1 2.86Å; Q315-T319 WeakPolarHBondContact O-CB 3.33Å; Q315-T319 PolarHBondContact O-N 3.39Å; Q315-T319 VanDerWaalsContact O-N 3.1Å; Q315-T319 PolarHBondContact O-OG1 2.92Å; Q315-I328 PolarHBondContact NE2-O 2.83Å; Q315-I330 HydrophobicContact CB-CG1 3.77Å; Q315-I330 VanDerWaalsContact OE1-N 3.15Å
316K98.5Very high97.5Very high81 Ų8152.9 Ų52.935%0.35232%0.319SS..Hα-helixtrans-58.4-54.6176.3176.7-176.5169.7-176.10111.1L222 D223 D312 R313 T319 A320L222-K316 HydrophobicContact CD1-CB 4.12Å; L222-K316 HydrophobicContact CD1-CD 3.9Å; L222-K316 HydrophobicContact CG-CD 4.18Å; L222-K316 WeakPolarHBondContact O-CD 3.31Å; L222-K316 PolarHBondContact O-NZ 3.28Å; D223-K316 IonicContact OD2-NZ 3.96Å; D223-K316 PolarHBondContact OD2-NZ 2.98Å; D312-K316 PolarHBondContact O-N 3.11Å; R313-K316 PolarHBondContact O-N 3.04Å; K316-T319 PolarHBondContact O-N 3.26Å; K316-A320 PolarHBondContact O-N 2.91Å; K316-A320 VanDerWaalsContact O-N 3.09Å
317E98.5Very high97.4Very high38 Ų3857.8 Ų57.818%0.17834%0.339CS..Hα-helixtrans-67.8-44.4-172.5-61.4-63.3179.800112.4F263 H276 R313 T319 A320 L321F263-E317 HydrophobicContact CD1-CG 4.41Å; F263-E317 HydrophobicContact CE1-CG 4.49Å; H276-E317 HydrophobicContact CB-CB 3.63Å; H276-E317 HydrophobicContact CB-CG 4.3Å; R313-E317 HydrophobicContact CG-CG 4.29Å; R313-E317 IonicContact CZ-OE1 2.74Å; R313-E317 IonicContact NE-OE1 2.67Å; R313-E317 PolarHBondContact NE-OE1 3.07Å; R313-E317 IonicContact NH2-OE1 3.58Å; R313-E317 PolarHBondContact NH2-OE1 3.03Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.26Å; R313-E317 PolarHBondContact O-N 3.18Å; E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 PolarHBondContact O-N 3.26Å; E317-A320 PolarHBondContact O-N 2.85Å; E317-L321 WeakPolarHBondContact O-CG 3.12Å; E317-L321 PolarHBondContact O-N 2.84Å; E317-L321 VanDerWaalsContact O-N 3.12Å
318I98.3Very high97.4Very high0 Ų057.9 Ų57.90%034%0.34CS..Hα-helixtrans-67.6-34.8178.4-65.6177.9000110.9H276 T279 Y295 T298 M314 A320 L321 A322 I328 I330H276-I318 HydrophobicContact CB-CG1 4.41Å; T279-I318 HydrophobicContact CG2-CD1 3.87Å; Y295-I318 HydrophobicContact CD1-CG2 4Å; Y295-I318 HydrophobicContact CE1-CG2 3.95Å; T298-I318 HydrophobicContact CG2-CD1 4.4Å; M314-I318 HydrophobicContact CE-CD1 3.66Å; M314-I318 WeakPolarHBondContact O-CB 3.46Å; M314-I318 WeakPolarHBondContact O-CG1 3.41Å; M314-I318 PolarHBondContact O-N 3.16Å; I318-A320 VanDerWaalsContact C-N 3.29Å; I318-A320 PolarHBondContact O-N 2.93Å; I318-L321 PolarHBondContact O-N 2.99Å; I318-A322 WeakPolarHBondContact O-CB 3.36Å; I318-A322 PolarHBondContact O-N 3.15Å; I318-I328 HydrophobicContact CB-CG2 4.05Å; I318-I328 HydrophobicContact CG2-CD1 4.14Å; I318-I328 HydrophobicContact CG2-CG1 4.2Å; I318-I328 HydrophobicContact CG2-CG2 3.63Å; I318-I330 HydrophobicContact CD1-CD1 4.04Å
319T98Very high97.3Very high73 Ų7358.4 Ų58.445%0.44833%0.333SS..Hα-helixtrans-64.7-34.2175-57.30000111.9Q315 K316 E317Q315-T319 PolarHBondContact NE2-OG1 2.86Å; Q315-T319 WeakPolarHBondContact O-CB 3.33Å; Q315-T319 PolarHBondContact O-N 3.39Å; Q315-T319 VanDerWaalsContact O-N 3.1Å; Q315-T319 PolarHBondContact O-OG1 2.92Å; K316-T319 PolarHBondContact O-N 3.26Å; E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 PolarHBondContact O-N 3.26Å
320A97.9Very high97.3Very high79 Ų7958.1 Ų58.165%0.65333%0.325SS*.Hα-helixtrans-72.1-33.5176.600000112.9K316 E317 I318K316-A320 PolarHBondContact O-N 2.91Å; K316-A320 VanDerWaalsContact O-N 3.09Å; E317-A320 PolarHBondContact O-N 2.85Å; I318-A320 VanDerWaalsContact C-N 3.29Å; I318-A320 PolarHBondContact O-N 2.93Å
321L97.8Very high97.3Very high70 Ų7059 Ų5937%0.36633%0.33SS..Hα-helixtrans-83.4-36.5179.8-66.8175000113.3E277 F280 E317 I318E277-L321 HydrophobicContact CB-CD1 4.27Å; F280-L321 HydrophobicContact CB-CB 4.42Å; F280-L321 HydrophobicContact CB-CD1 3.97Å; F280-L321 HydrophobicContact CD2-CB 3.71Å; F280-L321 HydrophobicContact CE2-CB 4.08Å; F280-L321 VanDerWaalsContact CE2-O 3.26Å; F280-L321 WeakPolarHBondContact CE2-O 3.38Å; F280-L321 HydrophobicContact CG-CB 3.97Å; F280-L321 HydrophobicContact CG-CD1 4.17Å; E317-L321 WeakPolarHBondContact O-CG 3.12Å; E317-L321 PolarHBondContact O-N 2.84Å; E317-L321 VanDerWaalsContact O-N 3.12Å; I318-L321 PolarHBondContact O-N 2.99Å
322A96.5Very high97.3Very high10 Ų1059.4 Ų59.48%0.08333%0.333CS..SBendtrans-74154.3-17500000112.5Y295 I318 S324 M326 I328Y295-A322 HydrophobicContact CD1-CB 4.3Å; Y295-A322 HydrophobicContact CE1-CB 3.74Å; Y295-A322 HydrophobicContact CE2-CB 4.3Å; I318-A322 WeakPolarHBondContact O-CB 3.36Å; I318-A322 PolarHBondContact O-N 3.15Å; A322-S324 PolarHBondContact O-N 3.36Å; A322-M326 HydrophobicContact CB-CB 4.48Å; A322-I328 HydrophobicContact CB-CD1 3.64Å; A322-I328 HydrophobicContact CB-CG1 4.24Å
323P94.5Very high97.2Very high61 Ų6155.1 Ų55.140%0.39631%0.311SS..  trans-55.3138.7171-22.832.7000111.3T325 M326P323-T325 PolarHBondContact O-N 3.21Å; P323-M326 HydrophobicContact CB-CG 4.17Å; P323-M326 HydrophobicContact CG-CG 4.28Å; P323-M326 WeakPolarHBondContact O-CB 3.38Å; P323-M326 PolarHBondContact O-N 2.89Å
324S93.7Very high97.1Very high127 Ų12759.6 Ų59.689%0.88834%0.341SS*.THydrogen-bonded Turntrans-60.9-16.1-176.257.60000114.9A322 M326A322-S324 PolarHBondContact O-N 3.36Å; S324-M326 VanDerWaalsContact C-N 3.33Å
325T93.5Very high97Very high124 Ų12463.8 Ų63.876%0.76136%0.361SS*.THydrogen-bonded Turntrans-78.6-15.217453.70000113.4P323P323-T325 PolarHBondContact O-N 3.21Å
326M94.8Very high96.9Very high49 Ų4962.2 Ų62.224%0.24135%0.352CS..SBendtrans-85.2132.2-178.6-63.1-62.317500110.9K292 Y295 A322 P323 S324 I328K292-M326 HydrophobicContact CB-SD 4.11Å; K292-M326 HydrophobicContact CG-SD 4.48Å; Y295-M326 HydrophobicContact CD2-CB 3.92Å; Y295-M326 HydrophobicContact CD2-CG 3.71Å; Y295-M326 HydrophobicContact CD2-SD 4.03Å; Y295-M326 HydrophobicContact CE2-CB 4.41Å; Y295-M326 HydrophobicContact CE2-CG 3.95Å; Y295-M326 HydrophobicContact CG-CB 4.37Å; A322-M326 HydrophobicContact CB-CB 4.48Å; P323-M326 HydrophobicContact CB-CG 4.17Å; P323-M326 HydrophobicContact CG-CG 4.28Å; P323-M326 WeakPolarHBondContact O-CB 3.38Å; P323-M326 PolarHBondContact O-N 2.89Å; S324-M326 VanDerWaalsContact C-N 3.33Å; M326-I328 HydrophobicContact CB-CD1 3.99Å
327K95.9Very high96.8Very high169 Ų16962.5 Ų62.574%0.73535%0.353SS*.  trans-88.7111.1171.3-176.1178.1-179.5177.30109.2
328I98Very high96.8Very high15 Ų1563.4 Ų63.48%0.07736%0.356CS..  trans-87.4132.3178.9-48.7-46.8000109.4Y295 Q315 I318 A322 M326 I330Y295-I328 HydrophobicContact CD1-CD1 3.38Å; Y295-I328 HydrophobicContact CD2-CD1 4.36Å; Y295-I328 HydrophobicContact CE1-CD1 4.1Å; Y295-I328 HydrophobicContact CG-CD1 3.54Å; Y295-I328 WeakPolarHBondContact O-CA 3.34Å; Q315-I328 PolarHBondContact NE2-O 2.83Å; I318-I328 HydrophobicContact CB-CG2 4.05Å; I318-I328 HydrophobicContact CG2-CD1 4.14Å; I318-I328 HydrophobicContact CG2-CG1 4.2Å; I318-I328 HydrophobicContact CG2-CG2 3.63Å; A322-I328 HydrophobicContact CB-CD1 3.64Å; A322-I328 HydrophobicContact CB-CG1 4.24Å; M326-I328 HydrophobicContact CB-CD1 3.99Å; I328-I330 HydrophobicContact CG2-CD1 4.19Å
329K98.2Very high96.7Very high99 Ų9963.5 Ų63.543%0.4336%0.357SS..  trans-137.7117172.5179.7-176.1179.2-177.60110.2Y295 A296 T298 I331Y295-K329 PolarHBondContact O-N 2.81Å; A296-K329 WeakPolarHBondContact O-CB 3.39Å; T298-K329 PolarHBondContact N-O 2.79Å; K329-I331 HydrophobicContact CD-CG1 4.38Å; K329-I331 HydrophobicContact CG-CG1 4.26Å
330I98.5Very high96.7Very high22 Ų2260.5 Ų60.511%0.11334%0.338CS..EExtended strand (participates in β ladder)trans-88.9130.6171.1-50-52.1000109.7T298 L300 A311 M314 Q315 I318 I328T298-I330 HydrophobicContact CG2-CD1 3.75Å; T298-I330 CarbonylContact O-C 3.54Å; T298-I330 WeakPolarHBondContact O-CA 3.31Å; L300-I330 HydrophobicContact CD1-CG2 3.79Å; L300-I330 HydrophobicContact CD2-CG2 3.92Å; L300-I330 HydrophobicContact CG-CG2 3.7Å; A311-I330 HydrophobicContact CB-CG2 4.08Å; M314-I330 HydrophobicContact CB-CD1 4.2Å; M314-I330 HydrophobicContact CB-CG1 4.1Å; M314-I330 HydrophobicContact CB-CG2 4.41Å; Q315-I330 HydrophobicContact CB-CG1 3.77Å; Q315-I330 VanDerWaalsContact OE1-N 3.15Å; I318-I330 HydrophobicContact CD1-CD1 4.04Å; I328-I330 HydrophobicContact CG2-CD1 4.19Å
331I98.4Very high96.8Very high21 Ų2156.7 Ų56.711%0.10831%0.307CS..EExtended strand (participates in β ladder)trans-115.5112.5179.4-60.2153.7000107.2R148 N297 T298 V299 L300 K329 P333R148-I331 VanDerWaalsContact CZ-CD1 3.44Å; R148-I331 VanDerWaalsContact NE-CD1 3.29Å; N297-I331 HydrophobicContact CB-CD1 4.39Å; T298-I331 PolarHBondContact O-N 3.43Å; V299-I331 CarbonylContact C-O 3.18Å; V299-I331 WeakPolarHBondContact CA-O 3.37Å; V299-I331 HydrophobicContact CG2-CB 4.1Å; V299-I331 HydrophobicContact CG2-CD1 3.92Å; V299-I331 HydrophobicContact CG2-CG2 4.35Å; L300-I331 PolarHBondContact N-O 3.27Å; K329-I331 HydrophobicContact CD-CG1 4.38Å; K329-I331 HydrophobicContact CG-CG1 4.26Å; I331-P333 HydrophobicContact CG2-CG 4.31Å
332A98Very high96.8Very high33 Ų3354.7 Ų54.727%0.27330%0.296SS..  trans-12584.4-18000000109.6L300 A311L300-A332 HydrophobicContact CB-CB 4.36Å; L300-A332 HydrophobicContact CD1-CB 4.07Å; L300-A332 HydrophobicContact CG-CB 4.31Å; A311-A332 HydrophobicContact CB-CB 3.93Å
333P96.7Very high96.8Very high16 Ų1654.2 Ų54.210%0.10429%0.292CS..  trans-55.8142.2177.4-23.134000111.1I331 E335 R336I331-P333 HydrophobicContact CG2-CG 4.31Å; P333-E335 WeakPolarHBondContact CB-OE1 3.42Å; P333-E335 PolarHBondContact O-N 3.04Å; P333-R336 HydrophobicContact CB-CB 4.27Å; P333-R336 WeakPolarHBondContact O-CB 3.44Å; P333-R336 WeakPolarHBondContact O-CD 3.3Å; P333-R336 WeakPolarHBondContact O-CG 3.42Å; P333-R336 PolarHBondContact O-N 3.35Å; P333-R336 VanDerWaalsContact O-N 3.12Å; P333-R336 PolarHBondContact O-NH1 3.1Å
334P96.5Very high97Very high105 Ų10551.3 Ų51.368%0.68227%0.273SS*.THydrogen-bonded Turntrans-56.8-36.9178.4-2634.4000113.3R336P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 2.86Å
335E95.4Very high97.2Very high88 Ų8845.4 Ų45.441%0.41123%0.232SC..THydrogen-bonded Turntrans-87.812.1-179.765-72163.100113.6P333 K337 Y338 I342P333-E335 WeakPolarHBondContact CB-OE1 3.42Å; P333-E335 PolarHBondContact O-N 3.04Å; E335-K337 PolarHBondContact O-N 3.34Å; E335-Y338 WeakPolarHBondContact O-CA 3.46Å; E335-Y338 PolarHBondContact O-N 3.16Å; E335-I342 HydrophobicContact CB-CD1 4.28Å; E335-I342 HydrophobicContact CG-CD1 3.67Å
336R97.1Very high97.2Very high27 Ų2742.9 Ų42.910%0.10221%0.213CC..G310 helixtrans-58.9-16.6-171.667.7-170.4172.1-77.61.8116.9L300 G302 T305 M306 P333 P334 Y338 S339L300-R336 WeakPolarHBondContact O-CB 3.45Å; G302-R336 PolarHBondContact N-O 3.43Å; G302-R336 VanDerWaalsContact N-O 3.14Å; T305-R336 VanDerWaalsContact O-CZ 3.24Å; T305-R336 PolarHBondContact O-NE 3.21Å; T305-R336 PolarHBondContact O-NH2 3.09Å; T305-R336 WeakPolarHBondContact OG1-CD 3.43Å; T305-R336 PolarHBondContact OG1-NE 3Å; M306-R336 HydrophobicContact SD-CG 3.52Å; M306-R336 VanDerWaalsContact SD-CG 3.52Å; P333-R336 HydrophobicContact CB-CB 4.27Å; P333-R336 WeakPolarHBondContact O-CB 3.44Å; P333-R336 WeakPolarHBondContact O-CD 3.3Å; P333-R336 WeakPolarHBondContact O-CG 3.42Å; P333-R336 PolarHBondContact O-N 3.35Å; P333-R336 VanDerWaalsContact O-N 3.12Å; P333-R336 PolarHBondContact O-NH1 3.1Å; P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 2.86Å; R336-Y338 PolarHBondContact O-N 2.99Å; R336-S339 VanDerWaalsContact CA-OG 3.28Å; R336-S339 WeakPolarHBondContact CA-OG 3.17Å; R336-S339 PolarHBondContact O-N 2.79Å
337K96.6Very high97.2Very high86 Ų8641.6 Ų41.637%0.37421%0.207SC..G310 helixtrans-61.9-19.8167.359169.9171.5162.80113.2K19 M306 E335K19-K337 WeakPolarHBondContact CE-O 3.25Å; M306-K337 HydrophobicContact CE-CG 4.42Å; M306-K337 HydrophobicContact CG-CB 3.98Å; M306-K337 HydrophobicContact SD-CB 3.91Å; M306-K337 HydrophobicContact SD-CG 4.23Å; E335-K337 PolarHBondContact O-N 3.34Å
338Y97.6Very high97.2Very high57 Ų5733.7 Ų33.722%0.22417%0.173CC..G310 helixtrans-115.22.3-179.7-53.5-41.8000113.1K19 P28 V31 E335 R336 V340 W341 I342K19-Y338 HydrophobicContact CD-CD1 3.69Å; K19-Y338 HydrophobicContact CD-CE1 4.21Å; P28-Y338 HydrophobicContact CG-CD1 4.17Å; P28-Y338 HydrophobicContact CG-CE1 4.42Å; P28-Y338 HydrophobicContact CG-CG 4.34Å; V31-Y338 HydrophobicContact CG2-CE1 4.08Å; E335-Y338 WeakPolarHBondContact O-CA 3.46Å; E335-Y338 PolarHBondContact O-N 3.16Å; R336-Y338 PolarHBondContact O-N 2.99Å; Y338-V340 VanDerWaalsContact C-N 3.25Å; Y338-V340 PolarHBondContact O-N 3.38Å; Y338-V340 VanDerWaalsContact O-N 3.15Å; Y338-W341 PolarHBondContact O-N 3.22Å; Y338-I342 WeakPolarHBondContact O-CG1 3.4Å; Y338-I342 PolarHBondContact O-N 3.48Å
339S98Very high97Very high3 Ų336 Ų362%0.02119%0.191CC..Hα-helixtrans-51-42.6-176.3-78.90000113.5S142 A145 R336 W341 I342 G343S142-S339 WeakPolarHBondContact OG-CB 3.42Å; A145-S339 VanDerWaalsContact CB-O 3.27Å; A145-S339 WeakPolarHBondContact CB-O 3.33Å; R336-S339 VanDerWaalsContact CA-OG 3.28Å; R336-S339 WeakPolarHBondContact CA-OG 3.17Å; R336-S339 PolarHBondContact O-N 2.79Å; S339-W341 PolarHBondContact O-N 3.41Å; S339-I342 PolarHBondContact O-N 3.47Å; S339-G343 PolarHBondContact O-N 3.43Å
340V98.2Very high96.7Very high9 Ų934.9 Ų34.96%0.05519%0.189CC..Hα-helixtrans-57.2-51.8178174.40000110.9D12 T107 Q138 L141 S142 Y338 G343 G344D12-V340 HydrophobicContact CB-CG1 4.11Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.41Å; T107-V340 HydrophobicContact CG2-CG1 3.75Å; Q138-V340 HydrophobicContact CB-CG1 3.95Å; Q138-V340 HydrophobicContact CB-CG2 3.89Å; Q138-V340 HydrophobicContact CG-CG1 3.77Å; Q138-V340 HydrophobicContact CG-CG2 4.38Å; L141-V340 WeakPolarHBondContact CB-O 3.37Å; L141-V340 HydrophobicContact CD1-CG1 4.29Å; S142-V340 WeakPolarHBondContact OG-CG2 3.39Å; S142-V340 PolarHBondContact OG-N 3.08Å; Y338-V340 VanDerWaalsContact C-N 3.25Å; Y338-V340 PolarHBondContact O-N 3.38Å; Y338-V340 VanDerWaalsContact O-N 3.15Å; V340-G343 PolarHBondContact O-N 3.43Å; V340-G344 PolarHBondContact O-N 2.76Å
341W98.5Very high96.2Very high0 Ų038.6 Ų38.60%022%0.217CC..Hα-helixtrans-67.3-42.4-178.3-176.391.3000111.2V10 D12 K19 D25 A27 P28 Y338 S339 G343 G344 S345V10-W341 HydrophobicContact CG1-CG 4.25Å; V10-W341 PolarHBondContact O-NE1 3.29Å; D12-W341 HydrophobicContact CB-CB 4.22Å; K19-W341 HydrophobicContact CB-CB 4.42Å; K19-W341 HydrophobicContact CB-CG 4.4Å; D25-W341 HydrophobicContact CB-CH2 3.87Å; D25-W341 WeakPolarHBondContact O-CH2 3.49Å; D25-W341 WeakPolarHBondContact O-CZ3 3.3Å; A27-W341 VanDerWaalsContact C-CH2 3.42Å; A27-W341 VanDerWaalsContact O-CH2 3.26Å; A27-W341 WeakPolarHBondContact O-CH2 3.4Å; A27-W341 WeakPolarHBondContact O-CZ3 3.48Å; P28-W341 HydrophobicContact CB-CD2 3.72Å; P28-W341 HydrophobicContact CB-CE3 4.15Å; P28-W341 HydrophobicContact CB-CG 3.99Å; P28-W341 HydrophobicContact CB-CZ2 4.47Å; P28-W341 HydrophobicContact CG-CD2 4.31Å; P28-W341 HydrophobicContact CG-CE3 4.38Å; Y338-W341 PolarHBondContact O-N 3.22Å; S339-W341 PolarHBondContact O-N 3.41Å; W341-G343 VanDerWaalsContact C-N 3.32Å; W341-G343 PolarHBondContact O-N 2.94Å; W341-G344 PolarHBondContact O-N 3.17Å; W341-G344 VanDerWaalsContact O-N 3.15Å; W341-S345 PolarHBondContact O-N 2.91Å
342I98Very high95.7Very high27 Ų2742.8 Ų42.814%0.13824%0.244CC..Hα-helixtrans-60-44176.6-66.8168.2000110.3A145 E335 Y338 S339 G344 S345 I346A145-I342 HydrophobicContact CB-CB 4.14Å; A145-I342 HydrophobicContact CB-CG2 3.93Å; E335-I342 HydrophobicContact CB-CD1 4.28Å; E335-I342 HydrophobicContact CG-CD1 3.67Å; Y338-I342 WeakPolarHBondContact O-CG1 3.4Å; Y338-I342 PolarHBondContact O-N 3.48Å; S339-I342 PolarHBondContact O-N 3.47Å; I342-G344 VanDerWaalsContact C-N 3.32Å; I342-G344 PolarHBondContact O-N 3.38Å; I342-S345 WeakPolarHBondContact O-CB 3.4Å; I342-S345 PolarHBondContact O-N 3.45Å; I342-I346 HydrophobicContact CG2-CD1 3.94Å; I342-I346 WeakPolarHBondContact O-CG1 3.33Å; I342-I346 PolarHBondContact O-N 3.05Å
343G97.4Very high95.4Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-62.4-39.4176.200000112.8L141 S339 V340 W341 L347L141-G343 VanDerWaalsContact O-CA 3.28Å; L141-G343 WeakPolarHBondContact O-CA 3.11Å; S339-G343 PolarHBondContact O-N 3.43Å; V340-G343 PolarHBondContact O-N 3.43Å; W341-G343 VanDerWaalsContact C-N 3.32Å; W341-G343 PolarHBondContact O-N 2.94Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.43Å; G343-L347 PolarHBondContact O-N 2.91Å
344G97.4Very high94.9Very high0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-64.5-41.5172.600000112.6V340 W341 I342 L347 A348V340-G344 PolarHBondContact O-N 2.76Å; W341-G344 PolarHBondContact O-N 3.17Å; W341-G344 VanDerWaalsContact O-N 3.15Å; I342-G344 VanDerWaalsContact C-N 3.32Å; I342-G344 PolarHBondContact O-N 3.38Å; G344-L347 PolarHBondContact O-N 3.08Å; G344-A348 VanDerWaalsContact O-CB 3.24Å; G344-A348 WeakPolarHBondContact O-CB 3.4Å; G344-A348 PolarHBondContact O-N 3.49Å
345S97.5Very high94.6Very high3 Ų347.8 Ų47.82%0.02125%0.251CS..Hα-helixtrans-60.6-48176.4-1800000111.2G24 D25 W341 I342 S349G24-S345 PolarHBondContact N-OG 3.35Å; D25-S345 PolarHBondContact N-OG 3Å; D25-S345 PolarHBondContact O-OG 3.06Å; W341-S345 PolarHBondContact O-N 2.91Å; I342-S345 WeakPolarHBondContact O-CB 3.4Å; I342-S345 PolarHBondContact O-N 3.45Å; S345-S349 WeakPolarHBondContact O-CB 3.42Å; S345-S349 PolarHBondContact O-N 3.21Å; S345-S349 VanDerWaalsContact O-N 3.17Å; S345-S349 PolarHBondContact O-OG 3.13Å
346I95.2Very high94.5Very high71 Ų7147.1 Ų47.136%0.36425%0.249SC..Hα-helixtrans-60.2-55.1175.1-66.8165.9000109.9I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.94Å; I342-I346 WeakPolarHBondContact O-CG1 3.33Å; I342-I346 PolarHBondContact O-N 3.05Å; I346-A348 PolarHBondContact O-N 3.46Å; I346-S349 PolarHBondContact O-N 3.03Å; I346-S349 VanDerWaalsContact O-N 3.12Å; I346-S349 PolarHBondContact O-OG 3.22Å; I346-L350 WeakPolarHBondContact O-CG 3.49Å; I346-L350 PolarHBondContact O-N 2.93Å
347L94.7Very high94.5Very high22 Ų2246.6 Ų46.612%0.11525%0.247CC..Hα-helixtrans-57.1-48.5-175.8-178.164.1000112.2L105 L141 G343 G344 S349 L350 F353L105-L347 HydrophobicContact CD1-CD2 4.27Å; L141-L347 HydrophobicContact CD2-CB 4.32Å; L141-L347 HydrophobicContact CD2-CD2 3.62Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.43Å; G343-L347 PolarHBondContact O-N 2.91Å; G344-L347 PolarHBondContact O-N 3.08Å; L347-S349 PolarHBondContact O-N 3.5Å; L347-L350 HydrophobicContact CD1-CD1 4.42Å; L347-L350 WeakPolarHBondContact O-CB 3.48Å; L347-L350 PolarHBondContact O-N 3.31Å; L347-F353 HydrophobicContact CD1-CD2 3.58Å; L347-F353 HydrophobicContact CD1-CE2 3.96Å; L347-F353 HydrophobicContact CD1-CG 4.24Å; L347-F353 HydrophobicContact CD2-CD2 4.18Å; L347-F353 HydrophobicContact CD2-CE2 3.68Å; L347-F353 HydrophobicContact CD2-CZ 4.13Å; L347-F353 HydrophobicContact CG-CD2 3.63Å; L347-F353 HydrophobicContact CG-CE2 3.63Å; L347-F353 HydrophobicContact CG-CG 4.13Å; L347-F353 HydrophobicContact CG-CZ 4.12Å; L347-F353 WeakPolarHBondContact O-CB 3.46Å; L347-F353 WeakPolarHBondContact O-CG 3.45Å
348A95.4Very high94.5Very high3 Ų342.5 Ų42.53%0.02523%0.229CC..Hα-helixtrans-69.5-19.7-178.500000113.5A8 V10 A23 L105 G344 I346 W357A8-A348 HydrophobicContact CB-CB 4.19Å; V10-A348 HydrophobicContact CG2-CB 4.26Å; A23-A348 HydrophobicContact CB-CB 3.63Å; L105-A348 HydrophobicContact CD1-CB 4.16Å; G344-A348 VanDerWaalsContact O-CB 3.24Å; G344-A348 WeakPolarHBondContact O-CB 3.4Å; G344-A348 PolarHBondContact O-N 3.49Å; I346-A348 PolarHBondContact O-N 3.46Å; A348-W357 HydrophobicContact CB-CH2 4.34Å; A348-W357 HydrophobicContact CB-CZ2 4.11Å
349S93Very high94.5Very high64 Ų6441.7 Ų41.745%0.44823%0.231SC..Hα-helixtrans-84.1-11.717574.90000114S345 I346 L347S345-S349 WeakPolarHBondContact O-CB 3.42Å; S345-S349 PolarHBondContact O-N 3.21Å; S345-S349 VanDerWaalsContact O-N 3.17Å; S345-S349 PolarHBondContact O-OG 3.13Å; I346-S349 PolarHBondContact O-N 3.03Å; I346-S349 VanDerWaalsContact O-N 3.12Å; I346-S349 PolarHBondContact O-OG 3.22Å; L347-S349 PolarHBondContact O-N 3.5Å
350L91.7Very high94.5Very high75 Ų7544.4 Ų44.439%0.39324%0.243SC..  trans-75.1128.1-179.9-63.2176.9000110.5I346 L347 T352 F353I346-L350 WeakPolarHBondContact O-CG 3.49Å; I346-L350 PolarHBondContact O-N 2.93Å; L347-L350 HydrophobicContact CD1-CD1 4.42Å; L347-L350 WeakPolarHBondContact O-CB 3.48Å; L347-L350 PolarHBondContact O-N 3.31Å; L350-T352 PolarHBondContact O-N 2.94Å; L350-F353 HydrophobicContact CB-CB 4.12Å; L350-F353 VanDerWaalsContact O-CB 3.26Å; L350-F353 WeakPolarHBondContact O-CB 3.35Å; L350-F353 PolarHBondContact O-N 2.88Å
351S89.6Confident94.5Very high100 Ų10050.2 Ų50.270%0.69927%0.269SS*.G310 helixtrans-59.5-32.6176.257.70000112.9F353 Q354S351-F353 PolarHBondContact O-N 3.39Å; S351-Q354 WeakPolarHBondContact O-CB 3.35Å; S351-Q354 WeakPolarHBondContact O-CG 3.03Å; S351-Q354 PolarHBondContact O-N 2.96Å
352T88.1Confident94.4Very high110 Ų11052.7 Ų52.768%0.67528%0.281SS*.G310 helixtrans-67.6-21.8174.853.10000113.2L350 Q354L350-T352 PolarHBondContact O-N 2.94Å; T352-Q354 VanDerWaalsContact C-N 3.31Å
353F90.2Very high94.5Very high9 Ų951.9 Ų51.94%0.03928%0.276CS..G310 helixtrans-77.6-17.2177.7-173.4-104000112.5L105 Y134 L347 L350 S351 Q355 M356 W357L105-F353 HydrophobicContact CD1-CE1 4.23Å; L105-F353 HydrophobicContact CD1-CZ 4.06Å; Y134-F353 HydrophobicContact CD1-CE2 4.12Å; Y134-F353 AromaticContact CD1-CZ 3.59Å; Y134-F353 HydrophobicContact CD1-CZ 3.59Å; Y134-F353 HydrophobicContact CD2-CE2 4.36Å; Y134-F353 AromaticContact CD2-CZ 3.93Å; Y134-F353 HydrophobicContact CD2-CZ 3.93Å; Y134-F353 HydrophobicContact CE1-CE2 4.05Å; Y134-F353 HydrophobicContact CE1-CZ 4Å; Y134-F353 HydrophobicContact CE2-CE2 4.3Å; Y134-F353 HydrophobicContact CE2-CZ 4.32Å; Y134-F353 HydrophobicContact CG-CE1 4.45Å; Y134-F353 HydrophobicContact CG-CE2 4.28Å; Y134-F353 AromaticContact CG-CZ 3.55Å; Y134-F353 HydrophobicContact CG-CZ 3.55Å; L347-F353 HydrophobicContact CD1-CD2 3.58Å; L347-F353 HydrophobicContact CD1-CE2 3.96Å; L347-F353 HydrophobicContact CD1-CG 4.24Å; L347-F353 HydrophobicContact CD2-CD2 4.18Å; L347-F353 HydrophobicContact CD2-CE2 3.68Å; L347-F353 HydrophobicContact CD2-CZ 4.13Å; L347-F353 HydrophobicContact CG-CD2 3.63Å; L347-F353 HydrophobicContact CG-CE2 3.63Å; L347-F353 HydrophobicContact CG-CG 4.13Å; L347-F353 HydrophobicContact CG-CZ 4.12Å; L347-F353 WeakPolarHBondContact O-CB 3.46Å; L347-F353 WeakPolarHBondContact O-CG 3.45Å; L350-F353 HydrophobicContact CB-CB 4.12Å; L350-F353 VanDerWaalsContact O-CB 3.26Å; L350-F353 WeakPolarHBondContact O-CB 3.35Å; L350-F353 PolarHBondContact O-N 2.88Å; S351-F353 PolarHBondContact O-N 3.39Å; F353-Q355 PolarHBondContact O-N 3.2Å; F353-M356 HydrophobicContact CD2-CB 3.82Å; F353-M356 HydrophobicContact CD2-CG 3.99Å; F353-M356 HydrophobicContact CE2-CB 3.8Å; F353-M356 HydrophobicContact CE2-CG 4.33Å; F353-M356 HydrophobicContact CG-CB 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.37Å; F353-M356 VanDerWaalsContact O-CB 3.3Å; F353-M356 WeakPolarHBondContact O-CB 3.11Å; F353-M356 PolarHBondContact O-N 2.93Å; F353-W357 HydrophobicContact CD1-CD2 4.5Å; F353-W357 AromaticContact CD1-CE2 3.87Å; F353-W357 HydrophobicContact CD1-CZ2 4.01Å; F353-W357 AromaticContact CD1-NE1 3.94Å; F353-W357 AromaticContact CE1-CD2 3.98Å; F353-W357 HydrophobicContact CE1-CD2 3.98Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.28Å; F353-W357 AromaticContact CE1-CH2 3.96Å; F353-W357 HydrophobicContact CE1-CH2 3.96Å; F353-W357 AromaticContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ3 4.27Å
354Q86.8Confident94.5Very high83 Ų8356.9 Ų56.939%0.38830%0.303SS..G310 helixtrans-59-26-176.3-63.5-60.4-19.400113.8S351 T352 M356 W357S351-Q354 WeakPolarHBondContact O-CB 3.35Å; S351-Q354 WeakPolarHBondContact O-CG 3.03Å; S351-Q354 PolarHBondContact O-N 2.96Å; T352-Q354 VanDerWaalsContact C-N 3.31Å; Q354-M356 VanDerWaalsContact C-N 3.35Å; Q354-W357 VanDerWaalsContact OE1-NE1 3.1Å
355Q90.2Very high94.5Very high166 Ų16663.3 Ų63.378%0.77633%0.333SS*.G310 helixtrans-81.9-13177.2-59.8-179.3700113.7F353F353-Q355 PolarHBondContact O-N 3.2Å
356M93.6Very high94.5Very high74 Ų7465.2 Ų65.237%0.36535%0.346SS..THydrogen-bonded Turntrans-86.1-21.6-177.3-62.5-59.2-63.500112.7Y134 F353 Q354Y134-M356 HydrophobicContact CD2-CB 4.43Å; Y134-M356 WeakPolarHBondContact CD2-O 3.44Å; Y134-M356 HydrophobicContact CE2-CB 4.07Å; Y134-M356 HydrophobicContact CE2-CE 4.45Å; F353-M356 HydrophobicContact CD2-CB 3.82Å; F353-M356 HydrophobicContact CD2-CG 3.99Å; F353-M356 HydrophobicContact CE2-CB 3.8Å; F353-M356 HydrophobicContact CE2-CG 4.33Å; F353-M356 HydrophobicContact CG-CB 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.37Å; F353-M356 VanDerWaalsContact O-CB 3.3Å; F353-M356 WeakPolarHBondContact O-CB 3.11Å; F353-M356 PolarHBondContact O-N 2.93Å; Q354-M356 VanDerWaalsContact C-N 3.35Å
357W96.5Very high94.6Very high16 Ų1662.8 Ų62.86%0.06134%0.339CS..SBendtrans-52.7143.5174.9-69.3120.5000111.5A8 P103 L105 A132 A348 F353 Q354A8-W357 HydrophobicContact CB-CH2 3.85Å; A8-W357 HydrophobicContact CB-CZ2 3.65Å; P103-W357 HydrophobicContact CB-CD2 4.35Å; P103-W357 HydrophobicContact CB-CE3 4.37Å; P103-W357 HydrophobicContact CB-CH2 4.04Å; P103-W357 HydrophobicContact CB-CZ2 4Å; P103-W357 HydrophobicContact CB-CZ3 4.23Å; L105-W357 HydrophobicContact CB-CH2 3.88Å; L105-W357 HydrophobicContact CB-CZ3 4.17Å; A132-W357 HydrophobicContact CB-CB 4.1Å; A132-W357 HydrophobicContact CB-CG 4.39Å; A348-W357 HydrophobicContact CB-CH2 4.34Å; A348-W357 HydrophobicContact CB-CZ2 4.11Å; F353-W357 HydrophobicContact CD1-CD2 4.5Å; F353-W357 AromaticContact CD1-CE2 3.87Å; F353-W357 HydrophobicContact CD1-CZ2 4.01Å; F353-W357 AromaticContact CD1-NE1 3.94Å; F353-W357 AromaticContact CE1-CD2 3.98Å; F353-W357 HydrophobicContact CE1-CD2 3.98Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.28Å; F353-W357 AromaticContact CE1-CH2 3.96Å; F353-W357 HydrophobicContact CE1-CH2 3.96Å; F353-W357 AromaticContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ3 4.27Å; Q354-W357 VanDerWaalsContact OE1-NE1 3.1Å
358I98Very high94.7Very high0 Ų063.5 Ų63.50%035%0.345CS..EExtended strand (participates in β ladder)trans-87.8116.8163.3-55.8169000105.2F125 A132 M133 E362 I370 V371 K374F125-I358 HydrophobicContact CE2-CB 4.49Å; F125-I358 HydrophobicContact CE2-CG2 3.88Å; F125-I358 HydrophobicContact CZ-CB 4.3Å; F125-I358 HydrophobicContact CZ-CG2 3.9Å; F125-I358 WeakPolarHBondContact CZ-O 3.44Å; A132-I358 CarbonylContact C-O 3.48Å; A132-I358 WeakPolarHBondContact CA-O 3.41Å; A132-I358 WeakPolarHBondContact CB-O 3.37Å; M133-I358 PolarHBondContact N-O 2.92Å; M133-I358 WeakPolarHBondContact O-CB 3.41Å; M133-I358 PolarHBondContact O-N 3.44Å; I358-E362 HydrophobicContact CG2-CB 4.44Å; I358-I370 HydrophobicContact CD1-CG2 4.35Å; I358-I370 HydrophobicContact CG2-CG1 4.02Å; I358-I370 HydrophobicContact CG2-CG2 3.64Å; I358-V371 HydrophobicContact CD1-CB 4.2Å; I358-V371 HydrophobicContact CD1-CG2 4.29Å; I358-K374 HydrophobicContact CD1-CB 4.12Å; I358-K374 HydrophobicContact CG1-CB 3.74Å; I358-K374 HydrophobicContact CG1-CG 4.07Å
359S97.6Very high94.8Very high40 Ų4065.5 Ų65.528%0.2836%0.359SS..EExtended strand (participates in β ladder)trans-81.4157.8174.961.80000111.6Q361 E362 Y363S359-Q361 PolarHBondContact O-N 3.35Å; S359-E362 PolarHBondContact N-OE2 3.03Å; S359-E362 PolarHBondContact O-N 3.29Å; S359-E362 VanDerWaalsContact O-N 3.15Å; S359-E362 VanDerWaalsContact OG-CG 3.31Å; S359-E362 WeakPolarHBondContact OG-CG 3.44Å; S359-E362 PolarHBondContact OG-N 2.89Å; S359-E362 PolarHBondContact OG-OE2 3.25Å; S359-Y363 PolarHBondContact O-N 2.93Å
360K97.5Very high95Very high61 Ų6162.9 Ų62.927%0.26534%0.34SS..Hα-helixtrans-54-38.1172-179.764-177.8175.10112.2F125 P131 Y363 D364F125-K360 HydrophobicContact CB-CD 4.19Å; F125-K360 HydrophobicContact CD1-CB 4.17Å; F125-K360 HydrophobicContact CD1-CD 3.57Å; F125-K360 HydrophobicContact CD1-CG 4.49Å; F125-K360 HydrophobicContact CE1-CB 4.06Å; F125-K360 HydrophobicContact CE1-CD 4.3Å; F125-K360 HydrophobicContact CG-CD 4.19Å; F125-K360 PolarHBondContact O-NZ 2.58Å; P131-K360 PolarHBondContact O-N 2.95Å; K360-Y363 HydrophobicContact CD-CD1 4.5Å; K360-Y363 WeakPolarHBondContact O-CB 3.31Å; K360-Y363 PolarHBondContact O-N 3.33Å; K360-D364 WeakPolarHBondContact CE-OD1 3.22Å; K360-D364 IonicContact NZ-OD1 3.02Å; K360-D364 PolarHBondContact NZ-OD1 2.81Å; K360-D364 VanDerWaalsContact O-CG 3.22Å; K360-D364 PolarHBondContact O-N 3.22Å
361Q97.4Very high95.3Very high130 Ų13059.3 Ų59.361%0.60732%0.321SS*.Hα-helixtrans-62.4-49.1176.1-176.4-176-9.700112.2S359 Y363 D364 E365S359-Q361 PolarHBondContact O-N 3.35Å; Q361-Y363 PolarHBondContact O-N 3.15Å; Q361-D364 PolarHBondContact O-N 3.33Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.23Å; Q361-E365 PolarHBondContact NE2-OE1 2.8Å; Q361-E365 WeakPolarHBondContact O-CG 3.42Å; Q361-E365 PolarHBondContact O-N 3.17Å
362E97.7Very high95.6Very high53 Ų5356.5 Ų56.525%0.24830%0.297CS..Hα-helixtrans-61.5-35.5177.9-73.1167.1125.100111.8I358 S359 S366 I370 K374I358-E362 HydrophobicContact CG2-CB 4.44Å; S359-E362 PolarHBondContact N-OE2 3.03Å; S359-E362 PolarHBondContact O-N 3.29Å; S359-E362 VanDerWaalsContact O-N 3.15Å; S359-E362 VanDerWaalsContact OG-CG 3.31Å; S359-E362 WeakPolarHBondContact OG-CG 3.44Å; S359-E362 PolarHBondContact OG-N 2.89Å; S359-E362 PolarHBondContact OG-OE2 3.25Å; E362-S366 WeakPolarHBondContact O-CB 3.22Å; E362-S366 PolarHBondContact O-N 3.13Å; E362-I370 HydrophobicContact CB-CG1 4.42Å; E362-K374 WeakPolarHBondContact OE1-CE 3.38Å; E362-K374 IonicContact OE1-NZ 2.91Å; E362-K374 PolarHBondContact OE1-NZ 3Å; E362-K374 IonicContact OE2-NZ 2.73Å
363Y98.2Very high95.8Very high9 Ų958.9 Ų58.94%0.03529%0.293CS..Hα-helixtrans-64.1-49172.7174.1-96.9000112.2T121 F125 E126 S359 K360 Q361 E365 S366 G367 P368T121-Y363 HydrophobicContact CG2-CD2 3.8Å; T121-Y363 HydrophobicContact CG2-CE2 4Å; F125-Y363 HydrophobicContact CB-CD1 3.67Å; F125-Y363 HydrophobicContact CB-CD2 4.32Å; F125-Y363 HydrophobicContact CB-CE1 3.77Å; F125-Y363 HydrophobicContact CB-CE2 4.38Å; F125-Y363 HydrophobicContact CB-CG 3.96Å; F125-Y363 AromaticContact CD2-CD1 3.98Å; F125-Y363 HydrophobicContact CD2-CD1 3.98Å; F125-Y363 AromaticContact CD2-CD2 3.35Å; F125-Y363 HydrophobicContact CD2-CD2 3.35Å; F125-Y363 AromaticContact CD2-CE2 3.98Å; F125-Y363 HydrophobicContact CD2-CE2 3.98Å; F125-Y363 AromaticContact CD2-CG 3.33Å; F125-Y363 HydrophobicContact CD2-CG 3.33Å; F125-Y363 AromaticContact CE2-CD2 3.89Å; F125-Y363 HydrophobicContact CE2-CD2 3.89Å; F125-Y363 AromaticContact CE2-CG 3.84Å; F125-Y363 HydrophobicContact CE2-CG 3.84Å; F125-Y363 AromaticContact CG-CD1 3.89Å; F125-Y363 HydrophobicContact CG-CD1 3.89Å; F125-Y363 HydrophobicContact CG-CD2 4.11Å; F125-Y363 HydrophobicContact CG-CE1 4.43Å; F125-Y363 AromaticContact CG-CG 3.71Å; F125-Y363 HydrophobicContact CG-CG 3.71Å; E126-Y363 VanDerWaalsContact CD-OH 3.31Å; E126-Y363 HydrophobicContact CG-CE1 4.11Å; E126-Y363 PolarHBondContact OE1-OH 2.83Å; S359-Y363 PolarHBondContact O-N 2.93Å; K360-Y363 HydrophobicContact CD-CD1 4.5Å; K360-Y363 WeakPolarHBondContact O-CB 3.31Å; K360-Y363 PolarHBondContact O-N 3.33Å; Q361-Y363 PolarHBondContact O-N 3.15Å; Y363-E365 PolarHBondContact O-N 3.43Å; Y363-S366 PolarHBondContact O-N 2.85Å; Y363-G367 WeakPolarHBondContact O-CA 3.31Å; Y363-G367 PolarHBondContact O-N 2.93Å; Y363-P368 HydrophobicContact CE2-CB 4.33Å; Y363-P368 HydrophobicContact CE2-CG 3.89Å
364D98Very high96Very high105 Ų10560.6 Ų60.656%0.56130%0.301SS*.Hα-helixtrans-63.3-29.5-178.7-66.7-22.6000111.7K360 Q361K360-D364 WeakPolarHBondContact CE-OD1 3.22Å; K360-D364 IonicContact NZ-OD1 3.02Å; K360-D364 PolarHBondContact NZ-OD1 2.81Å; K360-D364 VanDerWaalsContact O-CG 3.22Å; K360-D364 PolarHBondContact O-N 3.22Å; Q361-D364 PolarHBondContact O-N 3.33Å
365E97.6Very high96.3Very high136 Ų13656.7 Ų56.764%0.63628%0.282SS*.Hα-helixtrans-79.7-38.8176.9-70.3175.1-167.300114Q361 Y363Q361-E365 WeakPolarHBondContact CG-OE1 3.23Å; Q361-E365 PolarHBondContact NE2-OE1 2.8Å; Q361-E365 WeakPolarHBondContact O-CG 3.42Å; Q361-E365 PolarHBondContact O-N 3.17Å; Y363-E365 PolarHBondContact O-N 3.43Å
366S97.1Very high95.9Very high42 Ų4256.8 Ų56.829%0.29428%0.281SS..Hα-helixtrans-111.3-9.5-171.1-67.40000114.9E362 Y363 S369E362-S366 WeakPolarHBondContact O-CB 3.22Å; E362-S366 PolarHBondContact O-N 3.13Å; Y363-S366 PolarHBondContact O-N 2.85Å; S366-S369 PolarHBondContact O-OG 3.19Å
367G97.4Very high96Very high21 Ų2155.9 Ų55.922%0.21628%0.276CS..  trans63.8-168.9-171.500000113.9Y363 S369 I370Y363-G367 WeakPolarHBondContact O-CA 3.31Å; Y363-G367 PolarHBondContact O-N 2.93Å; G367-S369 PolarHBondContact O-N 3.14Å; G367-I370 WeakPolarHBondContact O-CG2 3.21Å; G367-I370 PolarHBondContact O-N 3.02Å
368P97.1Very high96Very high36 Ų3658 Ų5823%0.23429%0.288CS..G310 helixtrans-56-26.3-176.2-27.634.3000115.5E118 Q122 Y363 I370 V371E118-P368 HydrophobicContact CB-CB 3.75Å; E118-P368 HydrophobicContact CG-CB 4.06Å; Q122-P368 HydrophobicContact CB-CG 4.21Å; Y363-P368 HydrophobicContact CE2-CB 4.33Å; Y363-P368 HydrophobicContact CE2-CG 3.89Å; P368-I370 PolarHBondContact O-N 2.73Å; P368-I370 VanDerWaalsContact O-N 3.13Å; P368-V371 WeakPolarHBondContact O-CG1 3.43Å; P368-V371 PolarHBondContact O-N 2.94Å
369S97.2Very high95.9Very high45 Ų4561.2 Ų61.232%0.31530%0.304SS..G310 helixtrans-65.1-14.6-17875.20000114.4S366 G367 V371 H372S366-S369 PolarHBondContact O-OG 3.19Å; G367-S369 PolarHBondContact O-N 3.14Å; S369-V371 PolarHBondContact O-N 3.18Å; S369-H372 PolarHBondContact O-CD2 2.75Å; S369-H372 PolarHBondContact O-N 3.43Å; S369-H372 VanDerWaalsContact O-N 3.14Å
370I97.6Very high95.8Very high10 Ų1062.5 Ų62.55%0.05131%0.305CS..G310 helixtrans-55.7-30.6177.2-170.857.5000112.7T121 I358 E362 G367 P368 H372 R373 K374T121-I370 HydrophobicContact CG2-CG2 4.36Å; I358-I370 HydrophobicContact CD1-CG2 4.35Å; I358-I370 HydrophobicContact CG2-CG1 4.02Å; I358-I370 HydrophobicContact CG2-CG2 3.64Å; E362-I370 HydrophobicContact CB-CG1 4.42Å; G367-I370 WeakPolarHBondContact O-CG2 3.21Å; G367-I370 PolarHBondContact O-N 3.02Å; P368-I370 PolarHBondContact O-N 2.73Å; P368-I370 VanDerWaalsContact O-N 3.13Å; I370-H372 PolarHBondContact O-N 3.07Å; I370-R373 HydrophobicContact CD1-CB 4.45Å; I370-R373 PolarHBondContact O-N 3.33Å; I370-K374 HydrophobicContact CD1-CG 4.44Å; I370-K374 HydrophobicContact CG1-CG 4.5Å; I370-K374 PolarHBondContact O-N 2.73Å
371V97.5Very high95.7Very high0 Ų062.6 Ų62.60%031%0.308CS..Hα-helixtrans-56.4-34.8178.771.50000112.6R117 E118 T121 V135 I358 P368 S369 R373 K374 C375R117-V371 HydrophobicContact CB-CG1 3.74Å; R117-V371 HydrophobicContact CB-CG2 4.25Å; E118-V371 HydrophobicContact CG-CG1 4.42Å; T121-V371 WeakPolarHBondContact OG1-CB 3.47Å; V135-V371 HydrophobicContact CB-CG2 4.34Å; V135-V371 HydrophobicContact CG2-CG2 3.99Å; I358-V371 HydrophobicContact CD1-CB 4.2Å; I358-V371 HydrophobicContact CD1-CG2 4.29Å; P368-V371 WeakPolarHBondContact O-CG1 3.43Å; P368-V371 PolarHBondContact O-N 2.94Å; S369-V371 PolarHBondContact O-N 3.18Å; V371-R373 PolarHBondContact O-N 3.25Å; V371-K374 PolarHBondContact O-N 3.34Å; V371-C375 HydrophobicContact CG2-CB 4.03Å; V371-C375 WeakPolarHBondContact O-CB 3.48Å; V371-C375 PolarHBondContact O-N 3.03Å
372H96Very high95.6Very high40 Ų4058.1 Ų58.119%0.18529%0.288CS..Hα-helixtrans-73.8-13.6179.6-53.3-53.3000113.7K114 E118 S369 I370K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 3.02Å; K114-H372 PolarHBondContact O-CE1 2.9Å; E118-H372 WeakPolarHBondContact CG-NE2 3.19Å; E118-H372 IonicContact OE1-CD2 3.52Å; E118-H372 IonicContact OE1-CE1 3.97Å; E118-H372 IonicContact OE1-NE2 3.42Å; E118-H372 PolarHBondContact OE1-NE2 3.19Å; S369-H372 PolarHBondContact O-CD2 2.75Å; S369-H372 PolarHBondContact O-N 3.43Å; S369-H372 VanDerWaalsContact O-N 3.14Å; I370-H372 PolarHBondContact O-N 3.07Å
373R93.7Very high95.4Very high160 Ų16058.4 Ų58.460%0.60429%0.291SS*.Hα-helixtrans-98.1-18.4178.7-59.4-175.8-172.1163.64.4113.2I370 V371 F376I370-R373 HydrophobicContact CD1-CB 4.45Å; I370-R373 PolarHBondContact O-N 3.33Å; V371-R373 PolarHBondContact O-N 3.25Å; R373-F376 WeakPolarHBondContact O-CE2 3.41Å; R373-F376 WeakPolarHBondContact O-CZ 3.39Å
374K93.5Very high95.2Very high46 Ų4662.2 Ų62.220%0.231%0.31CS..Hα-helixtrans-116.6-31.3-172.9-75.5-84.4-161.2148.20113.2Y134 I358 E362 I370 V371Y134-K374 WeakPolarHBondContact CE2-O 3.48Å; Y134-K374 PolarHBondContact OH-O 2.73Å; I358-K374 HydrophobicContact CD1-CB 4.12Å; I358-K374 HydrophobicContact CG1-CB 3.74Å; I358-K374 HydrophobicContact CG1-CG 4.07Å; E362-K374 WeakPolarHBondContact OE1-CE 3.38Å; E362-K374 IonicContact OE1-NZ 2.91Å; E362-K374 PolarHBondContact OE1-NZ 3Å; E362-K374 IonicContact OE2-NZ 2.73Å; I370-K374 HydrophobicContact CD1-CG 4.44Å; I370-K374 HydrophobicContact CG1-CG 4.5Å; I370-K374 PolarHBondContact O-N 2.73Å; V371-K374 PolarHBondContact O-N 3.34Å
375C92.7Very high95Very high0 Ų058.7 Ų58.70%029%0.289CS..  trans-10899.8-178.2-580000109.4R117 Y134 V135 V371R117-C375 VanDerWaalsContact CZ-O 3.3Å; R117-C375 PolarHBondContact NH1-O 3.25Å; R117-C375 PolarHBondContact NH2-O 3.28Å; Y134-C375 VanDerWaalsContact CD2-SG 3.5Å; Y134-C375 HydrophobicContact CE2-CB 4.36Å; Y134-C375 VanDerWaalsContact CE2-SG 3.52Å; V135-C375 HydrophobicContact CB-CB 4.37Å; V135-C375 PolarHBondContact N-SG 2.9Å; V135-C375 VanDerWaalsContact N-SG 3.36Å; V135-C375 VanDerWaalsContact O-CB 3.31Å; V135-C375 WeakPolarHBondContact O-CB 3.43Å; V371-C375 HydrophobicContact CG2-CB 4.03Å; V371-C375 WeakPolarHBondContact O-CB 3.48Å; V371-C375 PolarHBondContact O-N 3.03Å
376F82.8Confident94.8Very high168 Ų16851.6 Ų51.674%0.73726%0.258SS*.  trans-101.10-176.9-64.1-73.5000113R373R373-F376 WeakPolarHBondContact O-CE2 3.41Å; R373-F376 WeakPolarHBondContact O-CZ 3.39Å

Retrieved 376 of 376 residues in 120.8 ms (Link to these results)

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