A0A077ZE37_TRITR Loading...

Actin

AlphaFold DB , UniProt , Accession A0A077ZE37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 376 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M33.9Very low74.5Confident234 Ų23488.5 Ų88.5100%1.15348%0.477SS*.  0116.30-72.5168.2-179.700103.9D3M1-D3 PolarHBondContact O-N 2.84Å; M1-D3 VanDerWaalsContact O-N 3.14Å
2C34.9Very low76.5Confident123 Ų12381.4 Ų81.483%0.83144%0.439SS*.  trans-59.5117.5168.5-53.70000104.2E4C2-E4 VanDerWaalsContact C-N 3.34Å; C2-E4 PolarHBondContact O-N 3.23Å
3D45.7Very low77.9Confident154 Ų15476 Ų7682%0.82441%0.41SS*.  trans-53.1111165-68.2-38.5000104.6M1 E5M1-D3 PolarHBondContact O-N 2.84Å; M1-D3 VanDerWaalsContact O-N 3.14Å; D3-E5 VanDerWaalsContact C-N 3.33Å; D3-E5 PolarHBondContact O-N 2.9Å
4E54.9Low79.2Confident180 Ų18071.4 Ų71.484%0.84139%0.389SS*.  trans-59.6107173.2-77.3-177.5160.300104.8C2 V6C2-E4 VanDerWaalsContact C-N 3.34Å; C2-E4 PolarHBondContact O-N 3.23Å; E4-V6 PolarHBondContact O-N 3.35Å
5E74.4Confident80.3Confident155 Ų15567.2 Ų67.272%0.72437%0.367SS*.  trans-52.9115.9178-95.7-176.5157.700107.3D3 A7D3-E5 VanDerWaalsContact C-N 3.33Å; D3-E5 PolarHBondContact O-N 2.9Å; E5-A7 PolarHBondContact O-N 2.9Å; E5-A7 VanDerWaalsContact O-N 3.07Å
6V88.1Confident81.2Confident82 Ų8263.8 Ų63.850%0.49735%0.352SS..PPolyproline II helixtrans-62.7117.2-177-179.60000108.1E4 A8 E101 H102E4-V6 PolarHBondContact O-N 3.35Å; V6-A8 PolarHBondContact O-N 3.28Å; V6-E101 WeakPolarHBondContact CG1-O 3.5Å; V6-H102 VanDerWaalsContact CG1-CE1 3.44Å; V6-H102 WeakPolarHBondContact CG1-CE1 3.41Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.3Å
7A93.8Very high82.1Confident40 Ų4064.2 Ų64.233%0.33135%0.352SS..PPolyproline II helixtrans-61.4131.6-176.100000110.7E5 F22 H102E5-A7 PolarHBondContact O-N 2.9Å; E5-A7 VanDerWaalsContact O-N 3.07Å; A7-F22 HydrophobicContact CB-CB 4.35Å; A7-F22 HydrophobicContact CB-CD1 4.11Å; A7-H102 PolarHBondContact O-ND1 3.16Å
8A97.5Very high83Confident6 Ų660.6 Ų60.65%0.0533%0.332CS..PPolyproline II helixtrans-66.2149175.900000111.2V6 F22 A23 P103 A348 W357V6-A8 PolarHBondContact O-N 3.28Å; A8-F22 CarbonylContact O-C 3.55Å; A8-F22 WeakPolarHBondContact O-CA 3.44Å; A8-A23 HydrophobicContact CB-CB 4.16Å; A8-A23 WeakPolarHBondContact O-CB 3.29Å; A8-A23 PolarHBondContact O-N 2.96Å; A8-P103 CarbonylContact C-O 3.6Å; A8-P103 VanDerWaalsContact CA-O 3.27Å; A8-P103 WeakPolarHBondContact CA-O 3.5Å; A8-P103 HydrophobicContact CB-CB 4Å; A8-A348 HydrophobicContact CB-CB 4.14Å; A8-W357 HydrophobicContact CB-CH2 3.85Å; A8-W357 HydrophobicContact CB-CZ2 3.68Å
9L98.4Very high83.8Confident0 Ų058.8 Ų58.80%032%0.321CS..EExtended strand (participates in β ladder)trans-89.8136.7171.2-52.7-179.7000109.4G21 F22 F91 L95 V97 H102 P103 V104 L105L9-G21 WeakPolarHBondContact CA-O 3.19Å; L9-F22 HydrophobicContact CD2-CD1 3.6Å; L9-F22 HydrophobicContact CD2-CE1 3.51Å; L9-F22 HydrophobicContact CD2-CE2 4.42Å; L9-F22 HydrophobicContact CD2-CG 4.14Å; L9-F22 HydrophobicContact CD2-CZ 3.97Å; L9-F91 HydrophobicContact CD1-CD1 3.76Å; L9-F91 HydrophobicContact CD1-CE1 3.88Å; L9-L95 HydrophobicContact CD1-CD1 4.25Å; L9-L95 HydrophobicContact CD2-CD1 4.14Å; L9-V97 HydrophobicContact CD1-CG2 3.72Å; L9-V97 HydrophobicContact CD2-CG2 4.33Å; L9-H102 HydrophobicContact CD1-CB 3.96Å; L9-H102 HydrophobicContact CD2-CB 4.34Å; L9-H102 HydrophobicContact CG-CB 3.71Å; L9-P103 PolarHBondContact N-O 3.37Å; L9-V104 HydrophobicContact CB-CG2 4.34Å; L9-V104 HydrophobicContact CD1-CG2 4.39Å; L9-V104 CarbonylContact O-C 3.48Å; L9-V104 WeakPolarHBondContact O-CA 3.33Å; L9-L105 PolarHBondContact O-N 2.97Å
10V98.7Very high84.5Confident0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-112.4121.8174.2178.90000107.9A20 G21 A23 L105 W341 A348V10-A20 VanDerWaalsContact O-CA 3.25Å; V10-A20 WeakPolarHBondContact O-CA 3.41Å; V10-G21 PolarHBondContact N-O 3.08Å; V10-G21 PolarHBondContact O-N 3.49Å; V10-G21 VanDerWaalsContact O-N 3.17Å; V10-A23 HydrophobicContact CG2-CB 4.28Å; V10-L105 HydrophobicContact CG1-CD2 4.2Å; V10-L105 HydrophobicContact CG2-CB 4.42Å; V10-W341 HydrophobicContact CG1-CG 4.24Å; V10-W341 PolarHBondContact O-NE1 3.03Å; V10-A348 HydrophobicContact CG2-CB 4.25Å
11V98.7Very high85.2Confident0 Ų053.2 Ų53.20%029%0.29CS..EExtended strand (participates in β ladder)trans-122.7105.2-179.6-172.30000109.8N13 A20 T90 F91 V104 L105 L106 T107V11-N13 PolarHBondContact O-N 3.47Å; V11-A20 HydrophobicContact CG2-CB 4.34Å; V11-T90 HydrophobicContact CG1-CG2 4.26Å; V11-T90 HydrophobicContact CG2-CG2 4.26Å; V11-F91 HydrophobicContact CG2-CE1 4Å; V11-V104 HydrophobicContact CG2-CG1 4.28Å; V11-L105 PolarHBondContact N-O 3.49Å; V11-L106 HydrophobicContact CB-CD2 3.86Å; V11-L106 HydrophobicContact CG1-CD2 4.4Å; V11-L106 HydrophobicContact CG2-CD2 4.36Å; V11-T107 PolarHBondContact O-N 3.39Å; V11-T107 VanDerWaalsContact O-N 3.11Å
12D98.4Very high88.3Confident3 Ų343 Ų432%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-83.9104.7173.2171.427000110.7G14 C18 K19 T107 Q138 V340 W341D12-G14 PolarHBondContact O-N 3.38Å; D12-G14 VanDerWaalsContact O-N 3.12Å; D12-C18 WeakPolarHBondContact O-CA 3.38Å; D12-K19 HydrophobicContact CB-CB 4.18Å; D12-K19 PolarHBondContact N-O 2.81Å; D12-K19 PolarHBondContact O-N 3.08Å; D12-K19 VanDerWaalsContact O-N 3.09Å; D12-K19 IonicContact OD2-NZ 2.73Å; D12-K19 PolarHBondContact OD2-NZ 3.07Å; D12-T107 VanDerWaalsContact CA-OG1 3.27Å; D12-T107 WeakPolarHBondContact CA-OG1 3.39Å; D12-T107 HydrophobicContact CB-CG2 4.22Å; D12-T107 PolarHBondContact OD1-OG1 2.98Å; D12-T107 VanDerWaalsContact OD1-OG1 3.11Å; D12-Q138 PolarHBondContact OD1-NE2 3.35Å; D12-V340 HydrophobicContact CB-CG1 4.04Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.27Å; D12-W341 HydrophobicContact CB-CB 4.27Å
13N95.5Very high91.2Very high11 Ų1137.9 Ų37.96%0.05921%0.205CC..EExtended strand (participates in β ladder)trans-82.980.1-177.6-59.2-56.4000111.3V11 I72 M83 W87 T107 Q138V11-N13 PolarHBondContact O-N 3.47Å; N13-I72 HydrophobicContact CB-CD1 4.15Å; N13-M83 HydrophobicContact CB-CE 4.34Å; N13-M83 VanDerWaalsContact OD1-CE 3.28Å; N13-M83 WeakPolarHBondContact OD1-CE 3.48Å; N13-W87 PolarHBondContact OD1-NE1 2.98Å; N13-T107 PolarHBondContact N-OG1 2.92Å; N13-T107 VanDerWaalsContact N-OG1 3.1Å; N13-T107 PolarHBondContact ND2-O 3.3Å; N13-T107 VanDerWaalsContact ND2-O 3.14Å; N13-Q138 PolarHBondContact O-NE2 3.17Å
14G95.6Very high93.5Very high12 Ų1233 Ų3312%0.12419%0.191CC..  trans-86148.6175.900000113.6D12 G16 M17 S34D12-G14 PolarHBondContact O-N 3.38Å; D12-G14 VanDerWaalsContact O-N 3.12Å; G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 2.87Å; G14-M17 WeakPolarHBondContact CA-O 3.43Å; G14-M17 PolarHBondContact N-O 3.28Å; G14-S34 VanDerWaalsContact O-CB 3.27Å; G14-S34 WeakPolarHBondContact O-CB 3.46Å; G14-S34 PolarHBondContact O-OG 3.13Å
15S95.2Very high95.5Very high8 Ų826.8 Ų26.86%0.05616%0.164CC..SBendtrans-65.2-27.8178.3-50.70000114.9I72 G75 R184S15-I72 VanDerWaalsContact OG-CG2 3.31Å; S15-I72 WeakPolarHBondContact OG-CG2 3.28Å; S15-G75 WeakPolarHBondContact OG-CA 3.35Å; S15-G75 PolarHBondContact OG-N 3.29Å; S15-R184 PolarHBondContact O-NH2 3.19Å
16G95.1Very high96.4Very high12 Ų1226.8 Ų26.812%0.12417%0.169CC..SBendtrans-100.8-41.3176.600000112.7G14 P33 S34 D158G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 2.87Å; G16-P33 WeakPolarHBondContact O-CA 3.48Å; G16-S34 PolarHBondContact O-N 3.42Å; G16-D158 WeakPolarHBondContact CA-OD2 3.48Å
17M96.7Very high96.8Very high71 Ų7125.3 Ų25.335%0.3517%0.166SC..EExtended strand (participates in β ladder)trans-137.7134.3-174.2-57.4-64.2-70.100110.6G14 V31 F32 P33G14-M17 WeakPolarHBondContact CA-O 3.43Å; G14-M17 PolarHBondContact N-O 3.28Å; M17-V31 HydrophobicContact CE-CG1 3.74Å; M17-F32 CarbonylContact C-O 3.58Å; M17-F32 WeakPolarHBondContact CA-O 3.42Å; M17-F32 VanDerWaalsContact CE-C 3.43Å; M17-P33 HydrophobicContact CE-CG 4.29Å; M17-P33 HydrophobicContact SD-CB 4.22Å; M17-P33 HydrophobicContact SD-CG 4.05Å
18C97.9Very high97Very high0 Ų024.3 Ų24.30%016%0.156CC..EExtended strand (participates in β ladder)trans-87.7142.4165.9-175.30000108.7D12 V31 F32 S34D12-C18 WeakPolarHBondContact O-CA 3.38Å; C18-V31 WeakPolarHBondContact O-CA 3.46Å; C18-F32 HydrophobicContact CB-CD1 4.34Å; C18-F32 HydrophobicContact CB-CD2 4.33Å; C18-F32 HydrophobicContact CB-CE1 3.78Å; C18-F32 HydrophobicContact CB-CE2 3.78Å; C18-F32 HydrophobicContact CB-CZ 3.47Å; C18-F32 VanDerWaalsContact CB-CZ 3.47Å; C18-F32 PolarHBondContact N-O 3.46Å; C18-F32 PolarHBondContact O-N 2.9Å; C18-F32 VanDerWaalsContact O-N 3.07Å; C18-S34 PolarHBondContact N-OG 3Å
19K98.6Very high97Very high27 Ų2731.2 Ų31.212%0.11718%0.181CC..EExtended strand (participates in β ladder)trans-131130.2174.2-43.4177.6-166.468.20109D12 P28 A30 V31 K337 Y338 W341D12-K19 HydrophobicContact CB-CB 4.18Å; D12-K19 PolarHBondContact N-O 2.81Å; D12-K19 PolarHBondContact O-N 3.08Å; D12-K19 VanDerWaalsContact O-N 3.09Å; D12-K19 IonicContact OD2-NZ 2.73Å; D12-K19 PolarHBondContact OD2-NZ 3.07Å; K19-P28 HydrophobicContact CB-CB 4.07Å; K19-P28 HydrophobicContact CB-CG 4.36Å; K19-A30 CarbonylContact C-O 3.51Å; K19-A30 VanDerWaalsContact CA-O 3.3Å; K19-A30 WeakPolarHBondContact CA-O 3.48Å; K19-V31 HydrophobicContact CB-CG2 4.27Å; K19-V31 HydrophobicContact CG-CG1 4.24Å; K19-V31 HydrophobicContact CG-CG2 4.14Å; K19-K337 WeakPolarHBondContact CE-O 3.48Å; K19-Y338 HydrophobicContact CD-CD1 3.71Å; K19-Y338 HydrophobicContact CD-CE1 4.24Å; K19-W341 HydrophobicContact CB-CB 4.46Å; K19-W341 HydrophobicContact CB-CG 4.47Å
20A98.7Very high97Very high0 Ų031.5 Ų31.50%018%0.182CC..EExtended strand (participates in β ladder)trans-141.7152.6-175.400000112.2V10 V11 P28 R29 A30 T90 L95V10-A20 VanDerWaalsContact O-CA 3.25Å; V10-A20 WeakPolarHBondContact O-CA 3.41Å; V11-A20 HydrophobicContact CG2-CB 4.34Å; A20-P28 CarbonylContact O-C 3.59Å; A20-R29 PolarHBondContact O-N 2.76Å; A20-A30 PolarHBondContact N-O 2.77Å; A20-A30 PolarHBondContact O-N 3.31Å; A20-T90 HydrophobicContact CB-CG2 3.3Å; A20-L95 HydrophobicContact CB-CD1 4.02Å; A20-L95 HydrophobicContact CB-CD2 4.29Å; A20-L95 HydrophobicContact CB-CG 4.28Å
21G98.5Very high96.9Very high0 Ų033.8 Ų33.80%020%0.197CC..EExtended strand (participates in β ladder)trans176.2-171179.700000111.2L9 V10L9-G21 WeakPolarHBondContact CA-O 3.19Å; V10-G21 PolarHBondContact N-O 3.08Å; V10-G21 PolarHBondContact O-N 3.49Å; V10-G21 VanDerWaalsContact O-N 3.17Å
22F98.1Very high96.9Very high20 Ų2033.8 Ų33.89%0.08820%0.197CC..EExtended strand (participates in β ladder)trans-97.9142.9-177.9-63.2-103.9000110A7 A8 L9 D25 R29 L95 V97 H102A7-F22 HydrophobicContact CB-CB 4.35Å; A7-F22 HydrophobicContact CB-CD1 4.11Å; A8-F22 CarbonylContact O-C 3.55Å; A8-F22 WeakPolarHBondContact O-CA 3.44Å; L9-F22 HydrophobicContact CD2-CD1 3.6Å; L9-F22 HydrophobicContact CD2-CE1 3.51Å; L9-F22 HydrophobicContact CD2-CE2 4.42Å; L9-F22 HydrophobicContact CD2-CG 4.14Å; L9-F22 HydrophobicContact CD2-CZ 3.97Å; F22-D25 WeakPolarHBondContact O-CB 3.36Å; F22-D25 PolarHBondContact O-N 3.1Å; F22-R29 HydrophobicContact CD2-CG 4.34Å; F22-R29 VanDerWaalsContact CE2-CZ 3.45Å; F22-L95 HydrophobicContact CE2-CD2 4.33Å; F22-V97 HydrophobicContact CE1-CG1 4.13Å; F22-V97 HydrophobicContact CZ-CG1 3.6Å; F22-H102 AromaticContact CE1-CE1 3.82Å
23A97.1Very high96.9Very high14 Ų1434.5 Ų34.512%0.11620%0.201CC..THydrogen-bonded Turntrans-59.9137.2170.900000110.3A8 V10 A348A8-A23 HydrophobicContact CB-CB 4.16Å; A8-A23 WeakPolarHBondContact O-CB 3.29Å; A8-A23 PolarHBondContact O-N 2.96Å; V10-A23 HydrophobicContact CG2-CB 4.28Å; A23-A348 HydrophobicContact CB-CB 3.64Å
24G94.5Very high97Very high51 Ų5134 Ų3453%0.52620%0.198SC..THydrogen-bonded Turntrans91.8-15.7-173.300000114.7S345G24-S345 PolarHBondContact N-OG 3Å
25D95.9Very high97Very high50 Ų5033.5 Ų33.527%0.26719%0.193SC..  trans-74.4147170.5-70.4-14.4000110.2F22 A27 R29 W341 S345F22-D25 WeakPolarHBondContact O-CB 3.36Å; F22-D25 PolarHBondContact O-N 3.1Å; D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 2.88Å; D25-R29 IonicContact OD1-NH2 3.54Å; D25-R29 PolarHBondContact OD1-NH2 3.32Å; D25-R29 IonicContact OD2-CZ 3.29Å; D25-R29 VanDerWaalsContact OD2-CZ 3.31Å; D25-R29 IonicContact OD2-NE 3.15Å; D25-R29 PolarHBondContact OD2-NE 2.72Å; D25-R29 IonicContact OD2-NH2 2.69Å; D25-R29 PolarHBondContact OD2-NH2 3.47Å; D25-W341 HydrophobicContact CB-CH2 3.87Å; D25-W341 WeakPolarHBondContact O-CH2 3.36Å; D25-W341 WeakPolarHBondContact O-CZ3 2.99Å; D25-S345 PolarHBondContact O-OG 3Å
26D93.4Very high97.2Very high156 Ų15633.1 Ų33.183%0.83419%0.19SC*.SBendtrans-75.6-17.7-179-67.6-40.8000113.8
27A95.9Very high97.3Very high51 Ų5132.5 Ų32.542%0.42118%0.184SC..SBendtrans-150.7153.7-177.500000111D25 R29 W341D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 2.88Å; A27-R29 PolarHBondContact O-N 3.35Å; A27-W341 VanDerWaalsContact C-CH2 3.47Å; A27-W341 VanDerWaalsContact O-CH2 3.3Å; A27-W341 WeakPolarHBondContact O-CH2 3.35Å; A27-W341 WeakPolarHBondContact O-CZ3 3.42Å
28P97.8Very high97.2Very high19 Ų1933 Ų3312%0.12318%0.182CC..  trans-61138.217625.6-33.8000110.6K19 A20 A30 V31 Y338 W341K19-P28 HydrophobicContact CB-CB 4.07Å; K19-P28 HydrophobicContact CB-CG 4.36Å; A20-P28 CarbonylContact O-C 3.59Å; P28-A30 VanDerWaalsContact C-N 3.31Å; P28-V31 HydrophobicContact CB-CG2 4.09Å; P28-V31 HydrophobicContact CG-CG2 3.65Å; P28-Y338 HydrophobicContact CG-CD1 4.15Å; P28-Y338 HydrophobicContact CG-CE1 4.42Å; P28-Y338 HydrophobicContact CG-CG 4.31Å; P28-W341 HydrophobicContact CB-CD2 3.73Å; P28-W341 HydrophobicContact CB-CE3 4.19Å; P28-W341 HydrophobicContact CB-CG 3.96Å; P28-W341 HydrophobicContact CG-CD2 4.31Å; P28-W341 HydrophobicContact CG-CE3 4.4Å; P28-W341 HydrophobicContact CG-CG 4.49Å
29R97.7Very high96.9Very high151 Ų15135 Ų3557%0.5720%0.196SC*.SBendtrans-72.2-27.6174.5-66.2-161.3-175.9174.95.3112.7A20 F22 D25 A27 L95A20-R29 PolarHBondContact O-N 2.76Å; F22-R29 HydrophobicContact CD2-CG 4.34Å; F22-R29 VanDerWaalsContact CE2-CZ 3.45Å; D25-R29 IonicContact OD1-NH2 3.54Å; D25-R29 PolarHBondContact OD1-NH2 3.32Å; D25-R29 IonicContact OD2-CZ 3.29Å; D25-R29 VanDerWaalsContact OD2-CZ 3.31Å; D25-R29 IonicContact OD2-NE 3.15Å; D25-R29 PolarHBondContact OD2-NE 2.72Å; D25-R29 IonicContact OD2-NH2 2.69Å; D25-R29 PolarHBondContact OD2-NH2 3.47Å; A27-R29 PolarHBondContact O-N 3.35Å; R29-L95 HydrophobicContact CB-CD2 3.97Å
30A98.2Very high96.4Very high5 Ų539.6 Ų39.64%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-134.3137.8-178.900000111K19 A20 P28 F32 E94K19-A30 CarbonylContact C-O 3.51Å; K19-A30 VanDerWaalsContact CA-O 3.3Å; K19-A30 WeakPolarHBondContact CA-O 3.48Å; A20-A30 PolarHBondContact N-O 2.77Å; A20-A30 PolarHBondContact O-N 3.31Å; P28-A30 VanDerWaalsContact C-N 3.31Å; A30-F32 HydrophobicContact CB-CD1 4.42Å; A30-E94 HydrophobicContact CB-CB 3.65Å; A30-E94 HydrophobicContact CB-CG 4.23Å
31V98Very high95.6Very high49 Ų4945.9 Ų45.930%0.29724%0.241SC..EExtended strand (participates in β ladder)trans-141.4110.3173.2179.30000107.6M17 C18 K19 P28 Y338M17-V31 HydrophobicContact CE-CG1 3.74Å; C18-V31 WeakPolarHBondContact O-CA 3.46Å; K19-V31 HydrophobicContact CB-CG2 4.27Å; K19-V31 HydrophobicContact CG-CG1 4.24Å; K19-V31 HydrophobicContact CG-CG2 4.14Å; P28-V31 HydrophobicContact CB-CG2 4.09Å; P28-V31 HydrophobicContact CG-CG2 3.65Å; V31-Y338 HydrophobicContact CG2-CE1 4.04Å
32F98.1Very high94.4Very high0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-142.3157-173.764.8-88.5000111.7M17 C18 A30 S34 V55 I86 H89 T90 E94M17-F32 CarbonylContact C-O 3.58Å; M17-F32 WeakPolarHBondContact CA-O 3.42Å; M17-F32 VanDerWaalsContact CE-C 3.43Å; C18-F32 HydrophobicContact CB-CD1 4.34Å; C18-F32 HydrophobicContact CB-CD2 4.33Å; C18-F32 HydrophobicContact CB-CE1 3.78Å; C18-F32 HydrophobicContact CB-CE2 3.78Å; C18-F32 HydrophobicContact CB-CZ 3.47Å; C18-F32 VanDerWaalsContact CB-CZ 3.47Å; C18-F32 PolarHBondContact N-O 3.46Å; C18-F32 PolarHBondContact O-N 2.9Å; C18-F32 VanDerWaalsContact O-N 3.07Å; A30-F32 HydrophobicContact CB-CD1 4.42Å; F32-S34 PolarHBondContact O-N 2.88Å; F32-V55 HydrophobicContact CE2-CG1 4.35Å; F32-I86 HydrophobicContact CE2-CG2 4.11Å; F32-I86 HydrophobicContact CZ-CG2 4.16Å; F32-H89 AromaticContact CD2-CD2 3.98Å; F32-H89 AromaticContact CE2-CD2 3.7Å; F32-H89 AromaticContact CZ-CD2 3.97Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.38Å; F32-E94 HydrophobicContact CD1-CG 3.77Å; F32-E94 HydrophobicContact CE1-CG 3.81Å; F32-E94 HydrophobicContact CG-CG 4.49Å
33P97.6Very high93Very high17 Ų1756.5 Ų56.511%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-61134.5-180-25.635.4000113.5G16 M17 I35 G56 D57G16-P33 WeakPolarHBondContact O-CA 3.48Å; M17-P33 HydrophobicContact CE-CG 4.29Å; M17-P33 HydrophobicContact SD-CB 4.22Å; M17-P33 HydrophobicContact SD-CG 4.05Å; P33-I35 HydrophobicContact CB-CD1 3.92Å; P33-I35 HydrophobicContact CB-CG1 3.93Å; P33-I35 HydrophobicContact CB-CG2 4.4Å; P33-I35 PolarHBondContact O-N 3.11Å; P33-G56 WeakPolarHBondContact O-CA 3.3Å; P33-D57 WeakPolarHBondContact CD-OD1 3.48Å
34S97.6Very high91.4Very high0 Ų059.1 Ų59.10%032%0.316CS..  trans-78.462.9178-61.90000111.7G14 G16 C18 F32 P71G14-S34 VanDerWaalsContact O-CB 3.27Å; G14-S34 WeakPolarHBondContact O-CB 3.46Å; G14-S34 PolarHBondContact O-OG 3.13Å; G16-S34 PolarHBondContact O-N 3.42Å; C18-S34 PolarHBondContact N-OG 3Å; F32-S34 PolarHBondContact O-N 2.88Å; S34-P71 WeakPolarHBondContact O-CD 3.4Å
35I97.4Very high90Very high2 Ų257 Ų571%0.0129%0.293CS..  trans-133.1149.6-173.565.2-178.9000112.7P33 V55 G56 A59 Q60 L68 K69 Y70P33-I35 HydrophobicContact CB-CD1 3.92Å; P33-I35 HydrophobicContact CB-CG1 3.93Å; P33-I35 HydrophobicContact CB-CG2 4.4Å; P33-I35 PolarHBondContact O-N 3.11Å; I35-V55 WeakPolarHBondContact O-CA 3.29Å; I35-G56 PolarHBondContact O-N 2.75Å; I35-G56 VanDerWaalsContact O-N 3.14Å; I35-A59 HydrophobicContact CD1-CB 4.05Å; I35-A59 HydrophobicContact CG1-CB 4.03Å; I35-Q60 HydrophobicContact CD1-CB 3.98Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.3Å; I35-L68 HydrophobicContact CD1-CD1 4.17Å; I35-K69 WeakPolarHBondContact CA-O 3.46Å; I35-Y70 HydrophobicContact CG2-CD1 3.46Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.46Å; I35-Y70 HydrophobicContact CG2-CE1 3.21Å; I35-Y70 HydrophobicContact CG2-CE2 4.41Å; I35-Y70 HydrophobicContact CG2-CG 4.18Å
36V98.1Very high88.3Confident0 Ų060.3 Ų60.30%032%0.315CS..EExtended strand (participates in β ladder)trans-121.6125.2169.7-176.90000109.2Y54 V55 K69 D82 K85 I86V36-Y54 CarbonylContact C-O 3.55Å; V36-Y54 WeakPolarHBondContact CA-O 3.32Å; V36-V55 HydrophobicContact CG2-CG2 4.38Å; V36-K69 PolarHBondContact N-O 3.31Å; V36-K69 PolarHBondContact O-N 3.12Å; V36-D82 HydrophobicContact CB-CB 4.27Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; V36-K85 HydrophobicContact CG1-CD 4.15Å; V36-K85 HydrophobicContact CG2-CB 4.47Å; V36-I86 HydrophobicContact CG2-CD1 4.47Å; V36-I86 HydrophobicContact CG2-CG1 4.07Å
37G96.5Very high86.9Confident0 Ų056.7 Ų56.70%032%0.315CS..EExtended strand (participates in β ladder)trans-106.4136.9177.500000112.3S53 Y54 T67G37-S53 CarbonylContact O-C 3.49Å; G37-S53 VanDerWaalsContact O-CA 3.3Å; G37-S53 WeakPolarHBondContact O-CA 3.22Å; G37-Y54 PolarHBondContact N-O 3.17Å; G37-Y54 PolarHBondContact O-N 3.44Å; G37-T67 WeakPolarHBondContact CA-O 3.5Å
38R94.9Very high85.4Confident80 Ų8060.5 Ų60.530%0.30233%0.325SS..EExtended strand (participates in β ladder)trans-123.9141174.3-67.6179.1174.882.1-9.9111.1R40 L66 T67 D82R38-R40 PolarHBondContact O-N 3.15Å; R38-L66 CarbonylContact O-C 3.52Å; R38-L66 WeakPolarHBondContact O-CA 3.19Å; R38-T67 PolarHBondContact N-O 3.34Å; R38-T67 PolarHBondContact O-N 3.41Å; R38-D82 IonicContact CZ-OD1 2.91Å; R38-D82 VanDerWaalsContact CZ-OD1 3.3Å; R38-D82 IonicContact CZ-OD2 3.82Å; R38-D82 IonicContact NH1-OD1 3.22Å; R38-D82 PolarHBondContact NH1-OD1 3.16Å; R38-D82 VanDerWaalsContact NH1-OD1 3.13Å; R38-D82 IonicContact NH1-OD2 3.5Å; R38-D82 PolarHBondContact NH1-OD2 3.43Å; R38-D82 IonicContact NH2-OD1 3.72Å; R38-D82 PolarHBondContact NH2-OD1 2.94Å; R38-D82 IonicContact NH2-OD2 3.25Å
39P92.1Very high83.8Confident44 Ų4462 Ų6229%0.28634%0.344SS..EExtended strand (participates in β ladder)trans-56.8133.4180-25.535.4000112.5M45 Y54 L66P39-M45 HydrophobicContact CB-SD 4.32Å; P39-M45 HydrophobicContact CG-CE 4.48Å; P39-M45 HydrophobicContact CG-SD 3.64Å; P39-Y54 HydrophobicContact CG-CE2 4.25Å; P39-L66 HydrophobicContact CB-CD2 4.35Å; P39-L66 HydrophobicContact CG-CD2 4.09Å
40R88.4Confident82.5Confident122 Ų12261.4 Ų61.446%0.4635%0.348SS..SBendtrans-69.9-32.9179.2-72.9-178.9-171.3-173.98.5113.4R38 R63 I65 L66 T67R38-R40 PolarHBondContact O-N 3.15Å; R40-R63 PolarHBondContact NH2-O 2.98Å; R40-I65 PolarHBondContact N-O 3.19Å; R40-L66 PolarHBondContact NE-O 3.1Å; R40-L66 PolarHBondContact NH2-O 2.61Å; R40-L66 VanDerWaalsContact NH2-O 3.08Å; R40-T67 WeakPolarHBondContact CG-OG1 3.44Å
41H82Confident81.8Confident133 Ų13366 Ų6662%0.61637%0.367SS*.SBendtrans-136.6142.6-179.4-45.485.4000109.5V44H41-V44 HydrophobicContact CB-CG2 3.68Å; H41-V44 WeakPolarHBondContact O-CG2 3.32Å
42Q72.1Confident81.3Confident201 Ų20170.6 Ų70.694%0.93939%0.39SS*.THydrogen-bonded Turntrans-63.6139.1172.7-70.7179.7-12.600109.8V44Q42-V44 PolarHBondContact O-N 2.95Å
43G68.8Low81.1Confident41 Ų4172 Ų7242%0.42340%0.4SS..THydrogen-bonded Turntrans87.2-9.9177.100000116.4M45 V46G43-M45 PolarHBondContact O-N 3.35Å; G43-V46 VanDerWaalsContact O-CG2 3.25Å; G43-V46 WeakPolarHBondContact O-CG2 3.39Å; G43-V46 PolarHBondContact O-N 3.12Å
44V64.2Low81Confident69 Ų6971.4 Ų71.442%0.41840%0.395SS..THydrogen-bonded Turntrans-63-16.4176.5-1780000112.2H41 Q42 I65H41-V44 HydrophobicContact CB-CG2 3.68Å; H41-V44 WeakPolarHBondContact O-CG2 3.32Å; Q42-V44 PolarHBondContact O-N 2.95Å; V44-I65 HydrophobicContact CG1-CB 4.04Å; V44-I65 HydrophobicContact CG1-CD1 4.37Å; V44-I65 HydrophobicContact CG1-CG2 3.93Å
45M64.4Low81.1Confident7 Ų772 Ų723%0.03440%0.399CS..THydrogen-bonded Turntrans-109.118.4-177.4-64.1-173.214400114.2P39 G43 G47 M48 Q50 Y54 K62 I65 L66P39-M45 HydrophobicContact CB-SD 4.32Å; P39-M45 HydrophobicContact CG-CE 4.48Å; P39-M45 HydrophobicContact CG-SD 3.64Å; G43-M45 PolarHBondContact O-N 3.35Å; M45-G47 PolarHBondContact O-N 3.28Å; M45-M48 PolarHBondContact O-N 3.31Å; M45-M48 VanDerWaalsContact O-N 3.08Å; M45-Q50 HydrophobicContact CB-CG 4.23Å; M45-Y54 HydrophobicContact CE-CD2 4.17Å; M45-Y54 HydrophobicContact CE-CE1 4.29Å; M45-Y54 HydrophobicContact CE-CE2 3.38Å; M45-Y54 VanDerWaalsContact CE-CZ 3.45Å; M45-Y54 WeakPolarHBondContact CE-OH 3.35Å; M45-Y54 HydrophobicContact SD-CE2 3.44Å; M45-Y54 WeakPolarHBondContact SD-CE2 3.31Å; M45-Y54 VanDerWaalsContact SD-CZ 3.52Å; M45-Y54 PolarHBondContact SD-OH 3.18Å; M45-K62 HydrophobicContact CE-CD 3.89Å; M45-I65 HydrophobicContact CE-CD1 3.75Å; M45-I65 HydrophobicContact CE-CG1 4.49Å; M45-L66 HydrophobicContact CE-CD2 3.76Å
46V60.6Low81.1Confident119 Ų11971.9 Ų71.972%0.72140%0.398SS*.THydrogen-bonded Turntrans-56.7115.9173.1172.70000109G43G43-V46 VanDerWaalsContact O-CG2 3.25Å; G43-V46 WeakPolarHBondContact O-CG2 3.39Å; G43-V46 PolarHBondContact O-N 3.12Å
47G65.1Low81Confident81 Ų8176 Ų7684%0.83542%0.42SS*.THydrogen-bonded Turntrans97.5-11.8-179.500000116.5M45M45-G47 PolarHBondContact O-N 3.28Å
48M62.9Low80.9Confident131 Ų13178.9 Ų78.965%0.64543%0.434SS*.SBendtrans-101.26.9-176.9-61.7-169.992.600114.7M45M45-M48 PolarHBondContact O-N 3.31Å; M45-M48 VanDerWaalsContact O-N 3.08Å
49G64.9Low80.9Confident51 Ų5175.1 Ų75.153%0.52642%0.42SS..  trans75.699.4-168.500000110.1K51 Y54G49-K51 PolarHBondContact O-N 2.9Å; G49-Y54 PolarHBondContact O-OH 2.93Å; G49-Y54 VanDerWaalsContact O-OH 3.09Å
50Q70.3Confident81Confident138 Ų13875.1 Ų75.165%0.64542%0.416SS*.  trans-69.6100.7179.7-73.9-179.5-21.300109.5M45M45-Q50 HydrophobicContact CB-CG 4.23Å
51K83.4Confident81.2Confident100 Ų10073.8 Ų73.844%0.43543%0.425SS..  trans-97.5144.2162.5-59.7-178.9-174.3171.50108.6G49 S53 Y54 E58G49-K51 PolarHBondContact O-N 2.9Å; K51-S53 WeakPolarHBondContact CB-O 3.19Å; K51-S53 PolarHBondContact O-N 3.21Å; K51-Y54 HydrophobicContact CB-CE1 4.17Å; K51-Y54 HydrophobicContact CB-CE2 4.11Å; K51-Y54 HydrophobicContact CD-CD1 4.41Å; K51-Y54 HydrophobicContact CD-CE1 4.03Å; K51-Y54 HydrophobicContact CG-CE1 4.36Å; K51-Y54 PolarHBondContact N-OH 3.16Å; K51-Y54 WeakPolarHBondContact O-CE2 3.37Å; K51-E58 IonicContact NZ-OE1 3.03Å; K51-E58 IonicContact NZ-OE2 2.73Å; K51-E58 PolarHBondContact NZ-OE2 3.05Å
52D88.1Confident81.7Confident147 Ų14769.5 Ų69.579%0.78641%0.405SS*.SBendtrans-70.2-23.9175.5-64.9-32.1000112.4
53S94.2Very high82.6Confident29 Ų2960.8 Ų60.820%0.20336%0.364CS..  trans-150.1155178.459.30000112.3G37 K51 K85G37-S53 CarbonylContact O-C 3.49Å; G37-S53 VanDerWaalsContact O-CA 3.3Å; G37-S53 WeakPolarHBondContact O-CA 3.22Å; K51-S53 WeakPolarHBondContact CB-O 3.19Å; K51-S53 PolarHBondContact O-N 3.21Å; S53-K85 WeakPolarHBondContact OG-CD 3.47Å
54Y95.8Very high83.5Confident4 Ų462 Ų622%0.01638%0.376CS..EExtended strand (participates in β ladder)trans-126.4148.5179.1-63-89.8000107.9V36 G37 P39 M45 G49 K51 E58 K62 L66V36-Y54 CarbonylContact C-O 3.55Å; V36-Y54 WeakPolarHBondContact CA-O 3.32Å; G37-Y54 PolarHBondContact N-O 3.17Å; G37-Y54 PolarHBondContact O-N 3.44Å; P39-Y54 HydrophobicContact CG-CE2 4.25Å; M45-Y54 HydrophobicContact CE-CD2 4.17Å; M45-Y54 HydrophobicContact CE-CE1 4.29Å; M45-Y54 HydrophobicContact CE-CE2 3.38Å; M45-Y54 VanDerWaalsContact CE-CZ 3.45Å; M45-Y54 WeakPolarHBondContact CE-OH 3.35Å; M45-Y54 HydrophobicContact SD-CE2 3.44Å; M45-Y54 WeakPolarHBondContact SD-CE2 3.31Å; M45-Y54 VanDerWaalsContact SD-CZ 3.52Å; M45-Y54 PolarHBondContact SD-OH 3.18Å; G49-Y54 PolarHBondContact O-OH 2.93Å; G49-Y54 VanDerWaalsContact O-OH 3.09Å; K51-Y54 HydrophobicContact CB-CE1 4.17Å; K51-Y54 HydrophobicContact CB-CE2 4.11Å; K51-Y54 HydrophobicContact CD-CD1 4.41Å; K51-Y54 HydrophobicContact CD-CE1 4.03Å; K51-Y54 HydrophobicContact CG-CE1 4.36Å; K51-Y54 PolarHBondContact N-OH 3.16Å; K51-Y54 WeakPolarHBondContact O-CE2 3.37Å; Y54-E58 VanDerWaalsContact CD1-CD 3.41Å; Y54-E58 HydrophobicContact CD1-CG 3.81Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.43Å; Y54-E58 VanDerWaalsContact CE1-OE1 3.24Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.45Å; Y54-K62 HydrophobicContact CD1-CD 4.18Å; Y54-K62 HydrophobicContact CE1-CD 4.15Å; Y54-L66 HydrophobicContact CD2-CD1 3.8Å; Y54-L66 HydrophobicContact CD2-CD2 3.89Å; Y54-L66 HydrophobicContact CE2-CD2 4.24Å; Y54-L66 HydrophobicContact CG-CD1 3.92Å
55V97.8Very high84.7Confident12 Ų1261.6 Ų61.67%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-128.7151.1-177.2-176.70000109.8F32 I35 V36 E58 A59 K85 I86 H89F32-V55 HydrophobicContact CE2-CG1 4.35Å; I35-V55 WeakPolarHBondContact O-CA 3.29Å; V36-V55 HydrophobicContact CG2-CG2 4.38Å; V55-E58 WeakPolarHBondContact O-CB 3.42Å; V55-E58 PolarHBondContact O-N 3.17Å; V55-A59 PolarHBondContact O-N 3.19Å; V55-K85 HydrophobicContact CG2-CB 4.2Å; V55-I86 HydrophobicContact CG1-CG1 3.92Å; V55-H89 HydrophobicContact CB-CB 3.93Å; V55-H89 HydrophobicContact CG1-CB 3.7Å; V55-H89 HydrophobicContact CG2-CB 4.27Å
56G97.4Very high86Confident0 Ų061.2 Ų61.20%037%0.369CS..Hα-helixtrans62.5-138168.900000114P33 I35 E58 A59 Q60P33-G56 WeakPolarHBondContact O-CA 3.3Å; I35-G56 PolarHBondContact O-N 2.75Å; I35-G56 VanDerWaalsContact O-N 3.14Å; G56-E58 PolarHBondContact O-N 2.98Å; G56-A59 WeakPolarHBondContact O-CB 3.27Å; G56-A59 PolarHBondContact O-N 3.4Å; G56-Q60 PolarHBondContact O-N 3.14Å
57D96.7Very high87.6Confident87 Ų8758.7 Ų58.747%0.46535%0.354SS..Hα-helixtrans-62.1-29.7-179.4-66.9-43.3000112.4P33 A59 Q60 S61P33-D57 WeakPolarHBondContact CD-OD1 3.48Å; D57-A59 VanDerWaalsContact C-N 3.34Å; D57-Q60 PolarHBondContact O-N 3Å; D57-S61 WeakPolarHBondContact O-CB 3.06Å; D57-S61 PolarHBondContact O-N 3.49Å; D57-S61 PolarHBondContact O-OG 2.92Å
58E94.8Very high89Confident61 Ų6156.3 Ų56.329%0.28532%0.322SS..Hα-helixtrans-65-40.4174.7-163.4-175.3176.300111.2K51 Y54 V55 G56 S61 K62K51-E58 IonicContact NZ-OE1 3.03Å; K51-E58 IonicContact NZ-OE2 2.73Å; K51-E58 PolarHBondContact NZ-OE2 3.05Å; Y54-E58 VanDerWaalsContact CD1-CD 3.41Å; Y54-E58 HydrophobicContact CD1-CG 3.81Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.43Å; Y54-E58 VanDerWaalsContact CE1-OE1 3.24Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.45Å; V55-E58 WeakPolarHBondContact O-CB 3.42Å; V55-E58 PolarHBondContact O-N 3.17Å; G56-E58 PolarHBondContact O-N 2.98Å; E58-S61 PolarHBondContact O-OG 2.72Å; E58-S61 VanDerWaalsContact O-OG 3.05Å; E58-K62 WeakPolarHBondContact O-CG 3.45Å; E58-K62 IonicContact OE1-NZ 2.84Å; E58-K62 PolarHBondContact OE1-NZ 3.24Å
59A95.5Very high90.6Very high0 Ų055.4 Ų55.40%031%0.314CS..Hα-helixtrans-70.3-41173.900000111.4I35 V55 G56 D57 K62 R63 L66 L68I35-A59 HydrophobicContact CD1-CB 4.05Å; I35-A59 HydrophobicContact CG1-CB 4.03Å; V55-A59 PolarHBondContact O-N 3.19Å; G56-A59 WeakPolarHBondContact O-CB 3.27Å; G56-A59 PolarHBondContact O-N 3.4Å; D57-A59 VanDerWaalsContact C-N 3.34Å; A59-K62 CarbonylContact O-C 3.55Å; A59-K62 PolarHBondContact O-N 2.88Å; A59-R63 PolarHBondContact O-N 2.84Å; A59-L66 HydrophobicContact CB-CD1 4.41Å; A59-L68 HydrophobicContact CB-CD2 3.98Å
60Q94.1Very high92.1Very high44 Ų4455.7 Ų55.721%0.20630%0.3CS..Hα-helixtrans-62.4-48-178-172.4635.500112I35 G56 D57 K62 R63 E208I35-Q60 HydrophobicContact CD1-CB 3.98Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.3Å; G56-Q60 PolarHBondContact O-N 3.14Å; D57-Q60 PolarHBondContact O-N 3Å; Q60-K62 PolarHBondContact O-N 2.92Å; Q60-R63 VanDerWaalsContact O-CB 3.31Å; Q60-R63 WeakPolarHBondContact O-CB 3.11Å; Q60-R63 PolarHBondContact O-N 3.24Å; Q60-R63 VanDerWaalsContact O-N 3.16Å; Q60-E208 VanDerWaalsContact NE2-CG 3.31Å; Q60-E208 PolarHBondContact NE2-OE2 2.74Å
61S92.6Very high93.4Very high95 Ų9549.2 Ų49.266%0.66427%0.269SS*.Hα-helixtrans-61.7-23.4177.856.40000113.4D57 E58D57-S61 WeakPolarHBondContact O-CB 3.06Å; D57-S61 PolarHBondContact O-N 3.49Å; D57-S61 PolarHBondContact O-OG 2.92Å; E58-S61 PolarHBondContact O-OG 2.72Å; E58-S61 VanDerWaalsContact O-OG 3.05Å
62K91.6Very high94Very high42 Ų4244.5 Ų44.518%0.18325%0.249CC..THydrogen-bonded Turntrans-103.814.9179.6-61.6-176.4-178.787.30113.4M45 Y54 E58 A59 Q60 G64 I65 L66M45-K62 HydrophobicContact CE-CD 3.89Å; Y54-K62 HydrophobicContact CD1-CD 4.18Å; Y54-K62 HydrophobicContact CE1-CD 4.15Å; E58-K62 WeakPolarHBondContact O-CG 3.45Å; E58-K62 IonicContact OE1-NZ 2.84Å; E58-K62 PolarHBondContact OE1-NZ 3.24Å; A59-K62 CarbonylContact O-C 3.55Å; A59-K62 PolarHBondContact O-N 2.88Å; Q60-K62 PolarHBondContact O-N 2.92Å; K62-G64 PolarHBondContact O-N 2.88Å; K62-I65 HydrophobicContact CB-CD1 4.46Å; K62-I65 HydrophobicContact CB-CG1 4.18Å; K62-I65 VanDerWaalsContact O-CG1 3.29Å; K62-I65 WeakPolarHBondContact O-CG1 3.05Å; K62-I65 PolarHBondContact O-N 3.43Å; K62-L66 HydrophobicContact CB-CD1 3.58Å; K62-L66 HydrophobicContact CB-CG 3.82Å; K62-L66 WeakPolarHBondContact O-CG 3.32Å; K62-L66 PolarHBondContact O-N 2.8Å; K62-L66 VanDerWaalsContact O-N 3.12Å
63R91.1Very high94.3Very high19 Ų1942 Ų427%0.07223%0.233CC..THydrogen-bonded Turntrans-50.4-34-176.2180174.3-70.1-135.6-5.6114.6R40 A59 Q60 I65 L66 L68 Y70 T204 E208R40-R63 PolarHBondContact NH2-O 2.98Å; A59-R63 PolarHBondContact O-N 2.84Å; Q60-R63 VanDerWaalsContact O-CB 3.31Å; Q60-R63 WeakPolarHBondContact O-CB 3.11Å; Q60-R63 PolarHBondContact O-N 3.24Å; Q60-R63 VanDerWaalsContact O-N 3.16Å; R63-I65 VanDerWaalsContact C-N 3.26Å; R63-I65 PolarHBondContact O-N 3.46Å; R63-L66 VanDerWaalsContact O-O 3.05Å; R63-L68 HydrophobicContact CB-CD1 3.86Å; R63-L68 HydrophobicContact CG-CD1 3.6Å; R63-L68 HydrophobicContact CG-CG 4.33Å; R63-L68 VanDerWaalsContact CZ-CD1 3.48Å; R63-Y70 PolarHBondContact NH2-OH 2.97Å; R63-T204 PolarHBondContact NH1-O 3.29Å; R63-E208 IonicContact CZ-OE1 2.91Å; R63-E208 IonicContact NH1-OE1 3.3Å; R63-E208 PolarHBondContact NH1-OE1 3.22Å; R63-E208 IonicContact NH2-OE1 3.14Å; R63-E208 PolarHBondContact NH2-OE1 2.94Å
64G87.6Confident94.2Very high66 Ų6644 Ų4468%0.6824%0.239SC*.THydrogen-bonded Turntrans-62.7-29.118000000114.3K62K62-G64 PolarHBondContact O-N 2.88Å
65I89.6Confident94.1Very high60 Ų6044.5 Ų44.531%0.30825%0.245SC..THydrogen-bonded Turntrans-112.5-7.1-177.960.1171.4000113.3R40 V44 M45 K62 R63R40-I65 PolarHBondContact N-O 3.19Å; V44-I65 HydrophobicContact CG1-CB 4.04Å; V44-I65 HydrophobicContact CG1-CD1 4.37Å; V44-I65 HydrophobicContact CG1-CG2 3.93Å; M45-I65 HydrophobicContact CE-CD1 3.75Å; M45-I65 HydrophobicContact CE-CG1 4.49Å; K62-I65 HydrophobicContact CB-CD1 4.46Å; K62-I65 HydrophobicContact CB-CG1 4.18Å; K62-I65 VanDerWaalsContact O-CG1 3.29Å; K62-I65 WeakPolarHBondContact O-CG1 3.05Å; K62-I65 PolarHBondContact O-N 3.43Å; R63-I65 VanDerWaalsContact C-N 3.26Å; R63-I65 PolarHBondContact O-N 3.46Å
66L92.3Very high94Very high0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-106.4149.5179.7-58.6-174.7000112R38 P39 R40 M45 Y54 A59 K62 R63 L68R38-L66 CarbonylContact O-C 3.52Å; R38-L66 WeakPolarHBondContact O-CA 3.19Å; P39-L66 HydrophobicContact CB-CD2 4.35Å; P39-L66 HydrophobicContact CG-CD2 4.09Å; R40-L66 PolarHBondContact NE-O 3.1Å; R40-L66 PolarHBondContact NH2-O 2.61Å; R40-L66 VanDerWaalsContact NH2-O 3.08Å; M45-L66 HydrophobicContact CE-CD2 3.76Å; Y54-L66 HydrophobicContact CD2-CD1 3.8Å; Y54-L66 HydrophobicContact CD2-CD2 3.89Å; Y54-L66 HydrophobicContact CE2-CD2 4.24Å; Y54-L66 HydrophobicContact CG-CD1 3.92Å; A59-L66 HydrophobicContact CB-CD1 4.41Å; K62-L66 HydrophobicContact CB-CD1 3.58Å; K62-L66 HydrophobicContact CB-CG 3.82Å; K62-L66 WeakPolarHBondContact O-CG 3.32Å; K62-L66 PolarHBondContact O-N 2.8Å; K62-L66 VanDerWaalsContact O-N 3.12Å; R63-L66 VanDerWaalsContact O-O 3.05Å; L66-L68 HydrophobicContact CB-CD2 3.92Å; L66-L68 HydrophobicContact CD1-CD2 4.41Å
67T93.5Very high94Very high66 Ų6646.1 Ų46.141%0.40525%0.253SS..EExtended strand (participates in β ladder)trans-90.1116.1158.9-62.20000107.4G37 R38 R40G37-T67 WeakPolarHBondContact CA-O 3.5Å; R38-T67 PolarHBondContact N-O 3.34Å; R38-T67 PolarHBondContact O-N 3.41Å; R40-T67 WeakPolarHBondContact CG-OG1 3.44Å
68L95Very high94Very high31 Ų3145.6 Ų45.616%0.16225%0.253CS..EExtended strand (participates in β ladder)trans-93.5138.1-179.7-55.9-177.2000110.7I35 A59 R63 L66I35-L68 HydrophobicContact CD1-CD1 4.17Å; A59-L68 HydrophobicContact CB-CD2 3.98Å; R63-L68 HydrophobicContact CB-CD1 3.86Å; R63-L68 HydrophobicContact CG-CD1 3.6Å; R63-L68 HydrophobicContact CG-CG 4.33Å; R63-L68 VanDerWaalsContact CZ-CD1 3.48Å; L66-L68 HydrophobicContact CB-CD2 3.92Å; L66-L68 HydrophobicContact CD1-CD2 4.41Å
69K96.6Very high94.2Very high111 Ų11145 Ų4548%0.48325%0.252SS..EExtended strand (participates in β ladder)trans-127.2151.9174-68.4-168.7174.8-172.40110.4I35 V36I35-K69 WeakPolarHBondContact CA-O 3.46Å; V36-K69 PolarHBondContact N-O 3.31Å; V36-K69 PolarHBondContact O-N 3.12Å
70Y96Very high94.3Very high58 Ų5847.1 Ų47.123%0.22726%0.26CS..  trans-114112.3178.4-60.9-100.2000107.1I35 R63 I72I35-Y70 HydrophobicContact CG2-CD1 3.46Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.46Å; I35-Y70 HydrophobicContact CG2-CE1 3.21Å; I35-Y70 HydrophobicContact CG2-CE2 4.41Å; I35-Y70 HydrophobicContact CG2-CG 4.18Å; R63-Y70 PolarHBondContact NH2-OH 2.97Å; Y70-I72 PolarHBondContact O-N 2.87Å
71P97.6Very high94.5Very high1 Ų150.2 Ų50.21%0.00628%0.278CS..SBendtrans-76.9-9.4-178.628-31.3000113.6S34 V77 T78 N79 D82 M83 I86S34-P71 WeakPolarHBondContact O-CD 3.4Å; P71-V77 CarbonylContact O-C 3.59Å; P71-V77 WeakPolarHBondContact O-CA 3.28Å; P71-T78 PolarHBondContact O-N 3.4Å; P71-T78 PolarHBondContact O-OG1 2.73Å; P71-N79 HydrophobicContact CB-CB 4.15Å; P71-N79 WeakPolarHBondContact CB-O 3.32Å; P71-N79 PolarHBondContact O-N 3.16Å; P71-D82 HydrophobicContact CB-CB 3.8Å; P71-D82 HydrophobicContact CG-CB 4.24Å; P71-M83 HydrophobicContact CB-CB 4.44Å; P71-M83 HydrophobicContact CG-SD 4.3Å; P71-I86 HydrophobicContact CG-CD1 3.32Å; P71-I86 HydrophobicContact CG-CG1 4.37Å
72I97.1Very high94.7Very high2 Ų245.7 Ų45.71%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-117.5120.8177.2-53.1172000108.5N13 S15 Y70 I76 V77 M83N13-I72 HydrophobicContact CB-CD1 4.15Å; S15-I72 VanDerWaalsContact OG-CG2 3.31Å; S15-I72 WeakPolarHBondContact OG-CG2 3.28Å; Y70-I72 PolarHBondContact O-N 2.87Å; I72-I76 CarbonylContact C-O 3.51Å; I72-I76 VanDerWaalsContact CA-O 3.32Å; I72-I76 WeakPolarHBondContact CA-O 3.27Å; I72-V77 HydrophobicContact CG1-CG2 4.12Å; I72-M83 HydrophobicContact CD1-CE 4.09Å; I72-M83 HydrophobicContact CD1-SD 3.77Å; I72-M83 HydrophobicContact CG1-SD 3.81Å
73E93.6Very high95.1Very high94 Ų9443.8 Ų43.844%0.43924%0.238SC..EExtended strand (participates in β ladder)trans-120.8127.4176.8-66.4176.5-150.700109.1G75 I76 T78E73-G75 PolarHBondContact O-N 3.11Å; E73-G75 VanDerWaalsContact O-N 3.16Å; E73-I76 PolarHBondContact N-O 3.35Å; E73-I76 PolarHBondContact O-N 2.95Å; E73-T78 HydrophobicContact CB-CG2 4.01Å; E73-T78 HydrophobicContact CG-CG2 4.32Å; E73-T78 PolarHBondContact OE1-OG1 3.5Å
74H92.9Very high95.4Very high72 Ų7245.1 Ų45.133%0.33325%0.245SC..THydrogen-bonded Turntrans4842.4-177.5-49.6101.2000114I76 G159 V160 R178H74-I76 VanDerWaalsContact C-N 3.29Å; H74-I76 PolarHBondContact O-N 3.23Å; H74-G159 WeakPolarHBondContact CA-O 3.28Å; H74-G159 PolarHBondContact CD2-O 2.81Å; H74-V160 HydrophobicContact CB-CB 4.26Å; H74-R178 VanDerWaalsContact CB-NH2 3.28Å
75G92.4Very high95.9Very high13 Ų1344.8 Ų44.813%0.13423%0.225CC..THydrogen-bonded Turntrans79.3-2-17900000115.9S15 E73S15-G75 WeakPolarHBondContact OG-CA 3.35Å; S15-G75 PolarHBondContact OG-N 3.29Å; E73-G75 PolarHBondContact O-N 3.11Å; E73-G75 VanDerWaalsContact O-N 3.16Å
76I96.1Very high96.3Very high30 Ų3041.9 Ų41.915%0.15421%0.21CC..EExtended strand (participates in β ladder)trans-111.7131.9-176.1-55.4-57.1000110.3I72 E73 H74 T78 N112 N116I72-I76 CarbonylContact C-O 3.51Å; I72-I76 VanDerWaalsContact CA-O 3.32Å; I72-I76 WeakPolarHBondContact CA-O 3.27Å; E73-I76 PolarHBondContact N-O 3.35Å; E73-I76 PolarHBondContact O-N 2.95Å; H74-I76 VanDerWaalsContact C-N 3.29Å; H74-I76 PolarHBondContact O-N 3.23Å; I76-T78 PolarHBondContact O-N 2.93Å; I76-N112 HydrophobicContact CD1-CB 4.47Å; I76-N112 WeakPolarHBondContact CD1-OD1 3.28Å; I76-N116 WeakPolarHBondContact CG2-ND2 3.36Å
77V97.7Very high96.6Very high17 Ų1741.9 Ų41.910%0.10321%0.21CC..EExtended strand (participates in β ladder)trans-67.8119.7171.5-178.10000109.3P71 I72 W80 M83 N116P71-V77 CarbonylContact O-C 3.59Å; P71-V77 WeakPolarHBondContact O-CA 3.28Å; I72-V77 HydrophobicContact CG1-CG2 4.12Å; V77-W80 HydrophobicContact CB-CH2 3.87Å; V77-W80 HydrophobicContact CB-CZ2 3.85Å; V77-W80 HydrophobicContact CB-CZ3 4.22Å; V77-W80 HydrophobicContact CG1-CD2 3.72Å; V77-W80 HydrophobicContact CG1-CE3 3.78Å; V77-W80 HydrophobicContact CG1-CG 4.3Å; V77-W80 HydrophobicContact CG1-CH2 4.04Å; V77-W80 HydrophobicContact CG1-CZ2 3.96Å; V77-W80 HydrophobicContact CG1-CZ3 3.95Å; V77-W80 HydrophobicContact CG2-CH2 4.06Å; V77-W80 HydrophobicContact CG2-CZ3 4.23Å; V77-M83 HydrophobicContact CG1-CB 3.85Å; V77-M83 HydrophobicContact CG1-CG 4.09Å; V77-M83 HydrophobicContact CG2-CG 4.1Å; V77-M83 HydrophobicContact CG2-SD 4.17Å; V77-N116 PolarHBondContact O-ND2 2.86Å; V77-N116 VanDerWaalsContact O-ND2 3.11Å
78T97Very high96.9Very high75 Ų7543.3 Ų43.346%0.4621%0.212SC..  trans-107.3-17176.858.40000112.5P71 E73 I76P71-T78 PolarHBondContact O-N 3.4Å; P71-T78 PolarHBondContact O-OG1 2.73Å; E73-T78 HydrophobicContact CB-CG2 4.01Å; E73-T78 HydrophobicContact CG-CG2 4.32Å; E73-T78 PolarHBondContact OE1-OG1 3.5Å; I76-T78 PolarHBondContact O-N 2.93Å
79N98.1Very high97Very high49 Ų4942.6 Ų42.626%0.26221%0.208SC..  trans-135.1102.6177.5-172.7-37.5000111.4P71 D81 D82 M83P71-N79 HydrophobicContact CB-CB 4.15Å; P71-N79 WeakPolarHBondContact CB-O 3.32Å; P71-N79 PolarHBondContact O-N 3.16Å; N79-D81 PolarHBondContact OD1-N 3.04Å; N79-D82 HydrophobicContact CB-CB 4.3Å; N79-D82 PolarHBondContact O-N 3.37Å; N79-D82 PolarHBondContact OD1-N 3.35Å; N79-M83 WeakPolarHBondContact O-CB 3.41Å; N79-M83 PolarHBondContact O-N 2.81Å
80W98Very high97.1Very high45 Ų4537.3 Ų37.317%0.1719%0.185CC..Hα-helixtrans-70.4-38.2-177.6-69.2103.6000113.4V77 D82 M83 E84 W87 N116 K119 M120 I123V77-W80 HydrophobicContact CB-CH2 3.87Å; V77-W80 HydrophobicContact CB-CZ2 3.85Å; V77-W80 HydrophobicContact CB-CZ3 4.22Å; V77-W80 HydrophobicContact CG1-CD2 3.72Å; V77-W80 HydrophobicContact CG1-CE3 3.78Å; V77-W80 HydrophobicContact CG1-CG 4.3Å; V77-W80 HydrophobicContact CG1-CH2 4.04Å; V77-W80 HydrophobicContact CG1-CZ2 3.96Å; V77-W80 HydrophobicContact CG1-CZ3 3.95Å; V77-W80 HydrophobicContact CG2-CH2 4.06Å; V77-W80 HydrophobicContact CG2-CZ3 4.23Å; W80-D82 PolarHBondContact O-N 3.14Å; W80-M83 HydrophobicContact CE3-CB 4.46Å; W80-M83 PolarHBondContact O-N 3.18Å; W80-M83 VanDerWaalsContact O-N 3.12Å; W80-E84 WeakPolarHBondContact O-CG 3.21Å; W80-E84 PolarHBondContact O-N 3.25Å; W80-W87 AromaticContact CZ3-CH2 3.89Å; W80-W87 HydrophobicContact CZ3-CH2 3.89Å; W80-W87 HydrophobicContact CZ3-CZ3 4.31Å; W80-N116 HydrophobicContact CH2-CB 4.25Å; W80-N116 WeakPolarHBondContact CH2-O 3.44Å; W80-N116 HydrophobicContact CZ2-CB 3.79Å; W80-K119 HydrophobicContact CD2-CB 4.15Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.49Å; W80-K119 HydrophobicContact CE3-CB 4.38Å; W80-K119 HydrophobicContact CE3-CG 3.71Å; W80-K119 HydrophobicContact CG-CG 3.79Å; W80-K119 HydrophobicContact CH2-CB 3.99Å; W80-K119 HydrophobicContact CH2-CG 4.22Å; W80-K119 HydrophobicContact CZ2-CB 3.73Å; W80-K119 HydrophobicContact CZ2-CG 3.94Å; W80-K119 HydrophobicContact CZ3-CB 4.29Å; W80-K119 HydrophobicContact CZ3-CG 4.1Å; W80-M120 HydrophobicContact CH2-CG 3.56Å; W80-M120 HydrophobicContact CZ3-CG 3.77Å; W80-I123 HydrophobicContact CD2-CD1 4.3Å; W80-I123 HydrophobicContact CE3-CD1 3.5Å; W80-I123 VanDerWaalsContact CE3-CD1 3.5Å; W80-I123 HydrophobicContact CZ3-CD1 4.1Å
81D97.8Very high97.2Very high109 Ų10934.5 Ų34.558%0.58317%0.174SC*.Hα-helixtrans-60.8-36177.9-62.4-10.7000111.9N79 K85N79-D81 PolarHBondContact OD1-N 3.04Å; D81-K85 WeakPolarHBondContact O-CG 3.31Å; D81-K85 PolarHBondContact O-N 3.12Å; D81-K85 PolarHBondContact O-NZ 3.42Å
82D98.2Very high97.3Very high0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-81.6-31.1177.3-77.3-4.4000111.8V36 R38 P71 N79 W80 K85 I86V36-D82 HydrophobicContact CB-CB 4.27Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; R38-D82 IonicContact CZ-OD1 2.91Å; R38-D82 VanDerWaalsContact CZ-OD1 3.3Å; R38-D82 IonicContact CZ-OD2 3.82Å; R38-D82 IonicContact NH1-OD1 3.22Å; R38-D82 PolarHBondContact NH1-OD1 3.16Å; R38-D82 VanDerWaalsContact NH1-OD1 3.13Å; R38-D82 IonicContact NH1-OD2 3.5Å; R38-D82 PolarHBondContact NH1-OD2 3.43Å; R38-D82 IonicContact NH2-OD1 3.72Å; R38-D82 PolarHBondContact NH2-OD1 2.94Å; R38-D82 IonicContact NH2-OD2 3.25Å; P71-D82 HydrophobicContact CB-CB 3.8Å; P71-D82 HydrophobicContact CG-CB 4.24Å; N79-D82 HydrophobicContact CB-CB 4.3Å; N79-D82 PolarHBondContact O-N 3.37Å; N79-D82 PolarHBondContact OD1-N 3.35Å; W80-D82 PolarHBondContact O-N 3.14Å; D82-K85 PolarHBondContact O-N 3.33Å; D82-K85 IonicContact OD1-NZ 2.72Å; D82-K85 PolarHBondContact OD1-NZ 3.04Å; D82-K85 VanDerWaalsContact OD1-NZ 3.14Å; D82-I86 PolarHBondContact O-N 3.33Å; D82-I86 VanDerWaalsContact O-N 3.09Å
83M98.3Very high97.3Very high1 Ų142.4 Ų42.41%0.00521%0.21CC..Hα-helixtrans-65.6-41.3171.7-163.165-147.400112.2N13 P71 I72 V77 N79 W80 K85 I86 W87N13-M83 HydrophobicContact CB-CE 4.34Å; N13-M83 VanDerWaalsContact OD1-CE 3.28Å; N13-M83 WeakPolarHBondContact OD1-CE 3.48Å; P71-M83 HydrophobicContact CB-CB 4.44Å; P71-M83 HydrophobicContact CG-SD 4.3Å; I72-M83 HydrophobicContact CD1-CE 4.09Å; I72-M83 HydrophobicContact CD1-SD 3.77Å; I72-M83 HydrophobicContact CG1-SD 3.81Å; V77-M83 HydrophobicContact CG1-CB 3.85Å; V77-M83 HydrophobicContact CG1-CG 4.09Å; V77-M83 HydrophobicContact CG2-CG 4.1Å; V77-M83 HydrophobicContact CG2-SD 4.17Å; N79-M83 WeakPolarHBondContact O-CB 3.41Å; N79-M83 PolarHBondContact O-N 2.81Å; W80-M83 HydrophobicContact CE3-CB 4.46Å; W80-M83 PolarHBondContact O-N 3.18Å; W80-M83 VanDerWaalsContact O-N 3.12Å; M83-K85 VanDerWaalsContact C-N 3.28Å; M83-K85 PolarHBondContact O-N 3.16Å; M83-I86 HydrophobicContact CE-CB 4.37Å; M83-I86 HydrophobicContact CE-CG2 3.97Å; M83-I86 WeakPolarHBondContact O-CA 3.44Å; M83-I86 WeakPolarHBondContact O-CB 3.38Å; M83-I86 PolarHBondContact O-N 3.08Å; M83-I86 HydrophobicContact SD-CD1 4.5Å; M83-W87 HydrophobicContact CE-CD2 4.17Å; M83-W87 VanDerWaalsContact CE-CE2 3.48Å; M83-W87 HydrophobicContact CE-CG 4.35Å; M83-W87 HydrophobicContact CE-CZ2 3.92Å; M83-W87 HydrophobicContact CG-CD2 4.16Å; M83-W87 HydrophobicContact CG-CE3 4.25Å; M83-W87 HydrophobicContact CG-CH2 4.05Å; M83-W87 HydrophobicContact CG-CZ2 3.88Å; M83-W87 HydrophobicContact CG-CZ3 4.22Å; M83-W87 PolarHBondContact O-N 2.81Å
84E98.2Very high97.5Very high48 Ų4841.2 Ų41.222%0.22420%0.204CC..Hα-helixtrans-58.4-40173.9-76.7-174.9-141.200111.7W80 W87 H88 I123W80-E84 WeakPolarHBondContact O-CG 3.21Å; W80-E84 PolarHBondContact O-N 3.25Å; E84-W87 PolarHBondContact O-N 3.17Å; E84-H88 WeakPolarHBondContact O-CB 3.37Å; E84-H88 PolarHBondContact O-N 3.37Å; E84-I123 HydrophobicContact CG-CD1 3.77Å; E84-I123 HydrophobicContact CG-CG1 4.18Å; E84-I123 HydrophobicContact CG-CG2 3.74Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.5Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.4Å
85K98.2Very high97.7Very high58 Ų5838.5 Ų38.525%0.25219%0.192SC..Hα-helixtrans-65.2-38.4174-67.9177.9-164.176.20112.4V36 S53 V55 D81 D82 M83 H89V36-K85 HydrophobicContact CG1-CD 4.15Å; V36-K85 HydrophobicContact CG2-CB 4.47Å; S53-K85 WeakPolarHBondContact OG-CD 3.47Å; V55-K85 HydrophobicContact CG2-CB 4.2Å; D81-K85 WeakPolarHBondContact O-CG 3.31Å; D81-K85 PolarHBondContact O-N 3.12Å; D81-K85 PolarHBondContact O-NZ 3.42Å; D82-K85 PolarHBondContact O-N 3.33Å; D82-K85 IonicContact OD1-NZ 2.72Å; D82-K85 PolarHBondContact OD1-NZ 3.04Å; D82-K85 VanDerWaalsContact OD1-NZ 3.14Å; M83-K85 VanDerWaalsContact C-N 3.28Å; M83-K85 PolarHBondContact O-N 3.16Å; K85-H89 VanDerWaalsContact O-CB 3.29Å; K85-H89 WeakPolarHBondContact O-CB 3.3Å; K85-H89 PolarHBondContact O-N 3.17Å
86I98.5Very high98Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-62.7-45.4174.7-72.8-179.1000110.7F32 V36 V55 P71 D82 M83 H89 T90F32-I86 HydrophobicContact CE2-CG2 4.11Å; F32-I86 HydrophobicContact CZ-CG2 4.16Å; V36-I86 HydrophobicContact CG2-CD1 4.47Å; V36-I86 HydrophobicContact CG2-CG1 4.07Å; V55-I86 HydrophobicContact CG1-CG1 3.92Å; P71-I86 HydrophobicContact CG-CD1 3.32Å; P71-I86 HydrophobicContact CG-CG1 4.37Å; D82-I86 PolarHBondContact O-N 3.33Å; D82-I86 VanDerWaalsContact O-N 3.09Å; M83-I86 HydrophobicContact CE-CB 4.37Å; M83-I86 HydrophobicContact CE-CG2 3.97Å; M83-I86 WeakPolarHBondContact O-CA 3.44Å; M83-I86 WeakPolarHBondContact O-CB 3.38Å; M83-I86 PolarHBondContact O-N 3.08Å; M83-I86 HydrophobicContact SD-CD1 4.5Å; I86-H89 WeakPolarHBondContact O-CB 3.38Å; I86-H89 PolarHBondContact O-N 3.04Å; I86-T90 WeakPolarHBondContact O-CB 3.31Å; I86-T90 PolarHBondContact O-N 3.09Å; I86-T90 PolarHBondContact O-OG1 2.82Å
87W98.6Very high98.1Very high0 Ų047.7 Ų47.70%022%0.224CC..Hα-helixtrans-67.4-41.9177.8-69.6-33.6000112.6N13 W80 M83 E84 H89 T90 F91 L106 M120 I123 M124 F128N13-W87 PolarHBondContact OD1-NE1 2.98Å; W80-W87 AromaticContact CZ3-CH2 3.89Å; W80-W87 HydrophobicContact CZ3-CH2 3.89Å; W80-W87 HydrophobicContact CZ3-CZ3 4.31Å; M83-W87 HydrophobicContact CE-CD2 4.17Å; M83-W87 VanDerWaalsContact CE-CE2 3.48Å; M83-W87 HydrophobicContact CE-CG 4.35Å; M83-W87 HydrophobicContact CE-CZ2 3.92Å; M83-W87 HydrophobicContact CG-CD2 4.16Å; M83-W87 HydrophobicContact CG-CE3 4.25Å; M83-W87 HydrophobicContact CG-CH2 4.05Å; M83-W87 HydrophobicContact CG-CZ2 3.88Å; M83-W87 HydrophobicContact CG-CZ3 4.22Å; M83-W87 PolarHBondContact O-N 2.81Å; E84-W87 PolarHBondContact O-N 3.17Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 2.89Å; W87-T90 WeakPolarHBondContact O-CA 3.29Å; W87-T90 VanDerWaalsContact O-CB 3.29Å; W87-T90 WeakPolarHBondContact O-CB 3.27Å; W87-T90 PolarHBondContact O-N 3.45Å; W87-T90 VanDerWaalsContact O-N 3.08Å; W87-F91 HydrophobicContact CB-CD2 4.46Å; W87-F91 HydrophobicContact CB-CE2 3.98Å; W87-F91 WeakPolarHBondContact O-CD2 3.18Å; W87-F91 WeakPolarHBondContact O-CG 3.48Å; W87-F91 PolarHBondContact O-N 3.36Å; W87-L106 HydrophobicContact CH2-CD1 4.29Å; W87-L106 HydrophobicContact CZ2-CD1 3.99Å; W87-L106 HydrophobicContact CZ2-CD2 4.45Å; W87-M120 HydrophobicContact CH2-CB 4.22Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.43Å; W87-I123 HydrophobicContact CE3-CG2 3.79Å; W87-I123 HydrophobicContact CZ3-CB 4.04Å; W87-I123 HydrophobicContact CZ3-CD1 3.89Å; W87-I123 HydrophobicContact CZ3-CG2 3.65Å; W87-M124 HydrophobicContact CB-CE 4.26Å; W87-M124 HydrophobicContact CD2-CE 3.34Å; W87-M124 HydrophobicContact CE3-CE 3.37Å; W87-M124 HydrophobicContact CG-CE 3.78Å; W87-M124 HydrophobicContact CH2-CE 4.03Å; W87-M124 HydrophobicContact CZ2-CE 4.07Å; W87-M124 HydrophobicContact CZ3-CE 3.72Å; W87-F128 HydrophobicContact CB-CE2 3.72Å; W87-F128 HydrophobicContact CB-CZ 3.69Å; W87-F128 HydrophobicContact CE3-CE2 4.07Å
88H98.2Very high98.1Very high95 Ų9548 Ų4844%0.4423%0.227SC..Hα-helixtrans-56.7-45.9172.3-175.9-65.9000111.1E84 T90 F91 Y92 F128E84-H88 WeakPolarHBondContact O-CB 3.37Å; E84-H88 PolarHBondContact O-N 3.37Å; H88-T90 VanDerWaalsContact C-N 3.34Å; H88-T90 PolarHBondContact O-N 3.43Å; H88-F91 PolarHBondContact O-N 3.33Å; H88-Y92 HydrophobicContact CB-CD2 4.44Å; H88-Y92 AromaticContact CD2-CD2 3.63Å; H88-Y92 AromaticContact CD2-CE2 3.66Å; H88-Y92 AromaticContact CE1-CD2 3.46Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.31Å; H88-Y92 AromaticContact CG-CD2 3.66Å; H88-Y92 AromaticContact ND1-CD2 3.57Å; H88-Y92 AromaticContact NE2-CD2 3.53Å; H88-Y92 AromaticContact NE2-CE2 3.75Å; H88-Y92 WeakPolarHBondContact O-CB 3.45Å; H88-Y92 VanDerWaalsContact O-CD2 3.27Å; H88-Y92 WeakPolarHBondContact O-CD2 3.3Å; H88-Y92 PolarHBondContact O-N 2.78Å; H88-F128 HydrophobicContact CB-CE1 4.08Å; H88-F128 HydrophobicContact CB-CZ 4.19Å
89H98.2Very high98.1Very high16 Ų1644.4 Ų44.47%0.07421%0.206CC..Iπ-helixtrans-61.5-42.7174.9-178.569000112.1F32 V55 K85 I86 W87 F91 N93 E94F32-H89 AromaticContact CD2-CD2 3.98Å; F32-H89 AromaticContact CE2-CD2 3.7Å; F32-H89 AromaticContact CZ-CD2 3.97Å; V55-H89 HydrophobicContact CB-CB 3.93Å; V55-H89 HydrophobicContact CG1-CB 3.7Å; V55-H89 HydrophobicContact CG2-CB 4.27Å; K85-H89 VanDerWaalsContact O-CB 3.29Å; K85-H89 WeakPolarHBondContact O-CB 3.3Å; K85-H89 PolarHBondContact O-N 3.17Å; I86-H89 WeakPolarHBondContact O-CB 3.38Å; I86-H89 PolarHBondContact O-N 3.04Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 2.89Å; H89-F91 PolarHBondContact O-N 2.78Å; H89-N93 WeakPolarHBondContact ND1-CB 3.28Å; H89-N93 PolarHBondContact ND1-OD1 3.2Å; H89-N93 WeakPolarHBondContact O-CA 3.43Å; H89-N93 VanDerWaalsContact O-CB 3.28Å; H89-N93 WeakPolarHBondContact O-CB 3.5Å; H89-N93 PolarHBondContact O-N 3.26Å; H89-E94 IonicContact CE1-OE1 3.31Å; H89-E94 IonicContact NE2-OE1 3.44Å; H89-E94 PolarHBondContact NE2-OE1 3.49Å; H89-E94 PolarHBondContact O-N 2.82Å
90T98.6Very high98.1Very high0 Ų046.8 Ų46.80%022%0.215CC..Iπ-helixtrans-56.4-52176.8-53.70000111.1V11 A20 F32 I86 W87 H88 E94 L95V11-T90 HydrophobicContact CG1-CG2 4.26Å; V11-T90 HydrophobicContact CG2-CG2 4.26Å; A20-T90 HydrophobicContact CB-CG2 3.3Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.38Å; I86-T90 WeakPolarHBondContact O-CB 3.31Å; I86-T90 PolarHBondContact O-N 3.09Å; I86-T90 PolarHBondContact O-OG1 2.82Å; W87-T90 WeakPolarHBondContact O-CA 3.29Å; W87-T90 VanDerWaalsContact O-CB 3.29Å; W87-T90 WeakPolarHBondContact O-CB 3.27Å; W87-T90 PolarHBondContact O-N 3.45Å; W87-T90 VanDerWaalsContact O-N 3.08Å; H88-T90 VanDerWaalsContact C-N 3.34Å; H88-T90 PolarHBondContact O-N 3.43Å; T90-E94 WeakPolarHBondContact O-CB 3.42Å; T90-L95 HydrophobicContact CG2-CD1 4.34Å; T90-L95 WeakPolarHBondContact O-CB 3.36Å; T90-L95 WeakPolarHBondContact O-CG 3.45Å; T90-L95 PolarHBondContact O-N 3.01Å
91F98.6Very high98Very high0 Ų050.7 Ų50.70%024%0.235CC..Iπ-helixtrans-73.4-50.6-175.3-57.9-46.3000112.2L9 V11 W87 H88 H89 L95 R96 V97 P99 V104 M124 F128L9-F91 HydrophobicContact CD1-CD1 3.76Å; L9-F91 HydrophobicContact CD1-CE1 3.88Å; V11-F91 HydrophobicContact CG2-CE1 4Å; W87-F91 HydrophobicContact CB-CD2 4.46Å; W87-F91 HydrophobicContact CB-CE2 3.98Å; W87-F91 WeakPolarHBondContact O-CD2 3.18Å; W87-F91 WeakPolarHBondContact O-CG 3.48Å; W87-F91 PolarHBondContact O-N 3.36Å; H88-F91 PolarHBondContact O-N 3.33Å; H89-F91 PolarHBondContact O-N 2.78Å; F91-L95 CarbonylContact O-C 3.55Å; F91-R96 WeakPolarHBondContact O-CA 3.46Å; F91-R96 PolarHBondContact O-N 3.24Å; F91-V97 PolarHBondContact O-N 2.93Å; F91-P99 HydrophobicContact CB-CB 4.39Å; F91-P99 HydrophobicContact CB-CG 4.27Å; F91-P99 HydrophobicContact CD1-CB 4.33Å; F91-P99 HydrophobicContact CD2-CB 3.78Å; F91-P99 HydrophobicContact CD2-CG 3.9Å; F91-P99 HydrophobicContact CE2-CB 4.07Å; F91-P99 HydrophobicContact CG-CB 3.92Å; F91-P99 HydrophobicContact CG-CG 4.18Å; F91-P99 HydrophobicContact CZ-CB 4.48Å; F91-V104 HydrophobicContact CE1-CG1 4.35Å; 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 4.2Å; F91-M124 HydrophobicContact CE2-SD 4.32Å; F91-M124 HydrophobicContact CZ-CE 4.19Å; F91-M124 HydrophobicContact CZ-SD 4.12Å; F91-F128 AromaticContact CD2-CD1 3.82Å; F91-F128 HydrophobicContact CD2-CD1 3.82Å; F91-F128 AromaticContact CD2-CE1 3.89Å; F91-F128 HydrophobicContact CD2-CE1 3.89Å; F91-F128 HydrophobicContact CD2-CG 4.23Å; F91-F128 HydrophobicContact CD2-CZ 4.38Å; F91-F128 HydrophobicContact CE2-CD1 4.01Å; F91-F128 HydrophobicContact CE2-CD2 4.09Å; F91-F128 HydrophobicContact CE2-CE1 4.21Å; F91-F128 HydrophobicContact CE2-CE2 4.29Å; F91-F128 AromaticContact CE2-CG 3.95Å; F91-F128 HydrophobicContact CE2-CG 3.95Å; F91-F128 HydrophobicContact CE2-CZ 4.35Å
92Y98.1Very high98Very high90 Ų9046.4 Ų46.435%0.35321%0.212SC..Iπ-helixtrans-91.7-27.6-168-61.2-72.3000114.4H88 P99 F128H88-Y92 HydrophobicContact CB-CD2 4.44Å; H88-Y92 AromaticContact CD2-CD2 3.63Å; H88-Y92 AromaticContact CD2-CE2 3.66Å; H88-Y92 AromaticContact CE1-CD2 3.46Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.46Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.31Å; H88-Y92 AromaticContact CG-CD2 3.66Å; H88-Y92 AromaticContact ND1-CD2 3.57Å; H88-Y92 AromaticContact NE2-CD2 3.53Å; H88-Y92 AromaticContact NE2-CE2 3.75Å; H88-Y92 WeakPolarHBondContact O-CB 3.45Å; H88-Y92 VanDerWaalsContact O-CD2 3.27Å; H88-Y92 WeakPolarHBondContact O-CD2 3.3Å; H88-Y92 PolarHBondContact O-N 2.78Å; Y92-P99 HydrophobicContact CE2-CG 4.39Å; Y92-P99 VanDerWaalsContact CZ-CD 3.49Å; Y92-P99 VanDerWaalsContact OH-CD 3.32Å; Y92-P99 WeakPolarHBondContact OH-CD 3.27Å; Y92-F128 HydrophobicContact CE2-CD1 4.49Å; Y92-F128 HydrophobicContact CE2-CE1 4.35Å
93N97.2Very high98Very high78 Ų7847.5 Ų47.542%0.41722%0.219SC..Iπ-helixtrans-100-48.1-178.5-63.4101.4000112.5H89 R96H89-N93 WeakPolarHBondContact ND1-CB 3.28Å; H89-N93 PolarHBondContact ND1-OD1 3.2Å; H89-N93 WeakPolarHBondContact O-CA 3.43Å; H89-N93 VanDerWaalsContact O-CB 3.28Å; H89-N93 WeakPolarHBondContact O-CB 3.5Å; H89-N93 PolarHBondContact O-N 3.26Å; N93-R96 WeakPolarHBondContact O-CG 3.19Å
94E98.2Very high98Very high69 Ų6947.5 Ų47.532%0.32222%0.219SC..Iπ-helixtrans-81.6-56.5-174.6-64.4-59.5127.700111.4A30 F32 H89 T90A30-E94 HydrophobicContact CB-CB 3.65Å; A30-E94 HydrophobicContact CB-CG 4.23Å; F32-E94 HydrophobicContact CD1-CG 3.77Å; F32-E94 HydrophobicContact CE1-CG 3.81Å; F32-E94 HydrophobicContact CG-CG 4.49Å; H89-E94 IonicContact CE1-OE1 3.31Å; H89-E94 IonicContact NE2-OE1 3.44Å; H89-E94 PolarHBondContact NE2-OE1 3.49Å; H89-E94 PolarHBondContact O-N 2.82Å; T90-E94 WeakPolarHBondContact O-CB 3.42Å
95L97.9Very high98Very high16 Ų1645.2 Ų45.28%0.08421%0.208CC..Iπ-helixtrans-84.2-25.1179.7-61.5-177.2000113.5L9 A20 F22 R29 T90 F91 V97L9-L95 HydrophobicContact CD1-CD1 4.25Å; L9-L95 HydrophobicContact CD2-CD1 4.14Å; A20-L95 HydrophobicContact CB-CD1 4.02Å; A20-L95 HydrophobicContact CB-CD2 4.29Å; A20-L95 HydrophobicContact CB-CG 4.28Å; F22-L95 HydrophobicContact CE2-CD2 4.33Å; R29-L95 HydrophobicContact CB-CD2 3.97Å; T90-L95 HydrophobicContact CG2-CD1 4.34Å; T90-L95 WeakPolarHBondContact O-CB 3.36Å; T90-L95 WeakPolarHBondContact O-CG 3.45Å; T90-L95 PolarHBondContact O-N 3.01Å; F91-L95 CarbonylContact O-C 3.55Å; L95-V97 HydrophobicContact CB-CG2 3.9Å
96R98Very high98Very high211 Ų21142.4 Ų42.480%0.79620%0.196SC*.  trans56.446.6-179.1-53.5-179.5-175.6179.42.2113.2F91 N93F91-R96 WeakPolarHBondContact O-CA 3.46Å; F91-R96 PolarHBondContact O-N 3.24Å; N93-R96 WeakPolarHBondContact O-CG 3.19Å
97V97.8Very high98Very high25 Ų2542.5 Ų42.515%0.15220%0.197CC..  trans-126.2159.4178.3-660000111.5L9 F22 F91 L95L9-V97 HydrophobicContact CD1-CG2 3.72Å; L9-V97 HydrophobicContact CD2-CG2 4.33Å; F22-V97 HydrophobicContact CE1-CG1 4.13Å; F22-V97 HydrophobicContact CZ-CG1 3.6Å; F91-V97 PolarHBondContact O-N 2.93Å; L95-V97 HydrophobicContact CB-CG2 3.9Å
98A97.6Very high97.9Very high22 Ų2242.8 Ų42.818%0.18220%0.198CC..  trans-86.8116168.800000109.1E100 E101 H102A98-E100 HydrophobicContact CB-CG 4.15Å; A98-E100 PolarHBondContact O-N 3.09Å; A98-E101 HydrophobicContact CB-CG 4.16Å; A98-E101 PolarHBondContact O-N 3.41Å; A98-H102 PolarHBondContact O-CD2 3.14Å
99P97.5Very high97.8Very high0 Ų038.3 Ų38.30%018%0.178CC..G310 helixtrans-63.7-23.5-177.425.8-32.6000113.2F91 Y92 E101 H102 F128 T130F91-P99 HydrophobicContact CB-CB 4.39Å; F91-P99 HydrophobicContact CB-CG 4.27Å; F91-P99 HydrophobicContact CD1-CB 4.33Å; F91-P99 HydrophobicContact CD2-CB 3.78Å; F91-P99 HydrophobicContact CD2-CG 3.9Å; F91-P99 HydrophobicContact CE2-CB 4.07Å; F91-P99 HydrophobicContact CG-CB 3.92Å; F91-P99 HydrophobicContact CG-CG 4.18Å; F91-P99 HydrophobicContact CZ-CB 4.48Å; Y92-P99 HydrophobicContact CE2-CG 4.39Å; Y92-P99 VanDerWaalsContact CZ-CD 3.49Å; Y92-P99 VanDerWaalsContact OH-CD 3.32Å; Y92-P99 WeakPolarHBondContact OH-CD 3.27Å; P99-E101 PolarHBondContact O-N 3.5Å; P99-H102 PolarHBondContact O-N 2.82Å; P99-H102 VanDerWaalsContact O-O 3.13Å; P99-F128 HydrophobicContact CB-CB 4.14Å; P99-F128 HydrophobicContact CG-CB 3.96Å; P99-F128 HydrophobicContact CG-CD1 3.85Å; P99-F128 HydrophobicContact CG-CG 4.31Å; P99-T130 HydrophobicContact CB-CG2 4.19Å
100E97.7Very high97.6Very high100 Ų10037.8 Ų37.847%0.46718%0.175SC..G310 helixtrans-64.3-12.7173.161.8-111.5-133.900114.6A98 N129 P131A98-E100 HydrophobicContact CB-CG 4.15Å; A98-E100 PolarHBondContact O-N 3.09Å; E100-N129 WeakPolarHBondContact CA-O 3.42Å; E100-N129 HydrophobicContact CB-CB 4.18Å; E100-P131 WeakPolarHBondContact O-CD 3.39Å
101E97.2Very high97.3Very high126 Ų12642.5 Ų42.559%0.58920%0.2SC*.G310 helixtrans-95.2-12.6178.1-62.8179.2173.700112.7V6 A98 P99V6-E101 WeakPolarHBondContact CG1-O 3.5Å; A98-E101 HydrophobicContact CB-CG 4.16Å; A98-E101 PolarHBondContact O-N 3.41Å; P99-E101 PolarHBondContact O-N 3.5Å
102H97.5Very high97.1Very high20 Ų2043.1 Ų43.19%0.09320%0.204CC..SBendtrans-129.1135.5-168.9-63.7-95.4000113.5V6 A7 L9 F22 A98 P99 P131V6-H102 VanDerWaalsContact CG1-CE1 3.44Å; V6-H102 WeakPolarHBondContact CG1-CE1 3.41Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.3Å; A7-H102 PolarHBondContact O-ND1 3.16Å; L9-H102 HydrophobicContact CD1-CB 3.96Å; L9-H102 HydrophobicContact CD2-CB 4.34Å; L9-H102 HydrophobicContact CG-CB 3.71Å; F22-H102 AromaticContact CE1-CE1 3.82Å; A98-H102 PolarHBondContact O-CD2 3.14Å; P99-H102 PolarHBondContact O-N 2.82Å; P99-H102 VanDerWaalsContact O-O 3.13Å; H102-P131 VanDerWaalsContact O-CD 3.31Å; H102-P131 WeakPolarHBondContact O-CD 3.47Å
103P97.8Very high97Very high23 Ų2341.7 Ų41.715%0.14921%0.205CC..  trans-58.2144163.3-21.533.1000111.2A8 L9 A132 W357A8-P103 CarbonylContact C-O 3.6Å; A8-P103 VanDerWaalsContact CA-O 3.27Å; A8-P103 WeakPolarHBondContact CA-O 3.5Å; A8-P103 HydrophobicContact CB-CB 4Å; L9-P103 PolarHBondContact N-O 3.37Å; P103-A132 CarbonylContact C-O 3.37Å; P103-A132 VanDerWaalsContact CA-O 3.25Å; P103-A132 WeakPolarHBondContact CA-O 3.47Å; P103-A132 HydrophobicContact CB-CB 4.13Å; P103-A132 HydrophobicContact CG-CB 4.48Å; P103-W357 HydrophobicContact CB-CD2 4.37Å; P103-W357 HydrophobicContact CB-CE3 4.38Å; P103-W357 HydrophobicContact CB-CH2 4.09Å; P103-W357 HydrophobicContact CB-CZ2 4.06Å; P103-W357 HydrophobicContact CB-CZ3 4.26Å
104V98.6Very high97Very high0 Ų044.5 Ų44.50%021%0.214CC..EExtended strand (participates in β ladder)trans-123.9118.3-178.1-177.20000112.1L9 V11 F91 L106 M124 T130 A132 M133 Y134L9-V104 HydrophobicContact CB-CG2 4.34Å; L9-V104 HydrophobicContact CD1-CG2 4.39Å; L9-V104 CarbonylContact O-C 3.48Å; L9-V104 WeakPolarHBondContact O-CA 3.33Å; V11-V104 HydrophobicContact CG2-CG1 4.28Å; F91-V104 HydrophobicContact CE1-CG1 4.35Å; 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 3.78Å; V104-L106 HydrophobicContact CG1-CG 4.17Å; V104-M124 HydrophobicContact CB-SD 4.47Å; V104-M124 HydrophobicContact CG1-SD 4.14Å; V104-T130 HydrophobicContact CB-CG2 4.25Å; V104-T130 HydrophobicContact CG2-CG2 3.53Å; V104-A132 PolarHBondContact N-O 3.36Å; V104-M133 CarbonylContact O-C 3.17Å; V104-M133 WeakPolarHBondContact O-CA 3.24Å; V104-M133 VanDerWaalsContact O-CB 3.26Å; V104-M133 WeakPolarHBondContact O-CB 3.36Å; V104-Y134 PolarHBondContact O-N 2.8Å
105L98.6Very high96.9Very high0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans-91.1117.3166.6-170.2151.8000109.5L9 V10 V11 T107 Y134 A136 L141 L347 A348 F353 W357L9-L105 PolarHBondContact O-N 2.97Å; V10-L105 HydrophobicContact CG1-CD2 4.2Å; V10-L105 HydrophobicContact CG2-CB 4.42Å; V11-L105 PolarHBondContact N-O 3.49Å; L105-T107 HydrophobicContact CD2-CG2 4.11Å; L105-Y134 WeakPolarHBondContact CA-O 3.32Å; L105-Y134 HydrophobicContact CD1-CD1 4.36Å; L105-A136 HydrophobicContact CD2-CB 4.27Å; L105-L141 HydrophobicContact CD2-CD1 4.03Å; L105-L347 HydrophobicContact CD1-CD2 4.18Å; L105-A348 HydrophobicContact CD1-CB 4.21Å; L105-F353 HydrophobicContact CD1-CE1 4.32Å; L105-F353 HydrophobicContact CD1-CZ 4.23Å; L105-W357 HydrophobicContact CB-CH2 3.87Å; L105-W357 HydrophobicContact CB-CZ3 4.15Å
106L98.5Very high96.9Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-99.5147.8170.7-61179.5000110.2V11 W87 V104 M120 M124 M133 Y134 V135 A136V11-L106 HydrophobicContact CB-CD2 3.86Å; V11-L106 HydrophobicContact CG1-CD2 4.4Å; V11-L106 HydrophobicContact CG2-CD2 4.36Å; W87-L106 HydrophobicContact CH2-CD1 4.29Å; W87-L106 HydrophobicContact CZ2-CD1 3.99Å; W87-L106 HydrophobicContact CZ2-CD2 4.45Å; V104-L106 HydrophobicContact CG1-CD2 3.78Å; V104-L106 HydrophobicContact CG1-CG 4.17Å; L106-M120 HydrophobicContact CD1-CB 4.06Å; L106-M120 HydrophobicContact CD1-SD 4.31Å; L106-M124 HydrophobicContact CD1-CE 3.9Å; L106-M124 HydrophobicContact CD1-CG 3.73Å; L106-M124 HydrophobicContact CD1-SD 4.17Å; L106-M124 HydrophobicContact CD2-CE 4.03Å; L106-M124 HydrophobicContact CD2-SD 4.38Å; L106-M124 HydrophobicContact CG-CE 4.49Å; L106-M133 HydrophobicContact CD1-CE 4.36Å; L106-Y134 PolarHBondContact N-O 2.92Å; L106-V135 WeakPolarHBondContact O-CA 3.2Å; L106-A136 PolarHBondContact O-N 3.4Å
107T97.9Very high96.9Very high2 Ų235.9 Ų35.91%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-103.4152.8171.876.10000112.1V11 D12 N13 L105 A136 Q138 L141 V340V11-T107 PolarHBondContact O-N 3.39Å; V11-T107 VanDerWaalsContact O-N 3.11Å; D12-T107 VanDerWaalsContact CA-OG1 3.27Å; D12-T107 WeakPolarHBondContact CA-OG1 3.39Å; D12-T107 HydrophobicContact CB-CG2 4.22Å; D12-T107 PolarHBondContact OD1-OG1 2.98Å; D12-T107 VanDerWaalsContact OD1-OG1 3.11Å; N13-T107 PolarHBondContact N-OG1 2.92Å; N13-T107 VanDerWaalsContact N-OG1 3.1Å; N13-T107 PolarHBondContact ND2-O 3.3Å; N13-T107 VanDerWaalsContact ND2-O 3.14Å; L105-T107 HydrophobicContact CD2-CG2 4.11Å; T107-A136 CarbonylContact C-O 3.6Å; T107-A136 VanDerWaalsContact CA-O 3.28Å; T107-A136 WeakPolarHBondContact CA-O 3.33Å; T107-Q138 PolarHBondContact OG1-NE2 3.23Å; T107-L141 HydrophobicContact CG2-CD1 3.55Å; T107-V340 HydrophobicContact CG2-CG1 3.79Å
108E96.7Very high97Very high5 Ų538 Ų382%0.02320%0.201CC..EExtended strand (participates in β ladder)trans-135.6154171.566.4167.4-142.700113N112 R117 M120 V135 A136 I137 Q138 F376E108-N112 HydrophobicContact CB-CB 4.31Å; E108-N112 HydrophobicContact CG-CB 4.39Å; E108-N112 WeakPolarHBondContact OE2-CB 3.46Å; E108-N112 PolarHBondContact OE2-ND2 3.48Å; E108-R117 IonicContact OE1-CZ 3.54Å; E108-R117 IonicContact OE1-NE 2.74Å; E108-R117 PolarHBondContact OE1-NE 2.96Å; E108-R117 IonicContact OE1-NH2 3.16Å; E108-R117 PolarHBondContact OE1-NH2 3.36Å; E108-R117 WeakPolarHBondContact OE2-CG 3.29Å; E108-R117 IonicContact OE2-NE 2.63Å; E108-R117 PolarHBondContact OE2-NE 3.28Å; E108-R117 VanDerWaalsContact OE2-NE 3.13Å; E108-M120 HydrophobicContact CB-CE 4.32Å; E108-V135 HydrophobicContact CB-CG1 4.12Å; E108-V135 HydrophobicContact CG-CG1 3.75Å; E108-A136 PolarHBondContact N-O 3.46Å; E108-I137 WeakPolarHBondContact O-CA 3.43Å; E108-Q138 VanDerWaalsContact O-CG 3.31Å; E108-Q138 WeakPolarHBondContact O-CG 3.38Å; E108-Q138 PolarHBondContact O-N 3.23Å; E108-F376 VanDerWaalsContact CD-CZ 3.43Å; E108-F376 HydrophobicContact CG-CZ 4.21Å; E108-F376 WeakPolarHBondContact OE1-CE1 3.34Å; E108-F376 WeakPolarHBondContact OE1-CZ 3.33Å
109A94.9Very high97Very high2 Ų239.8 Ų39.82%0.01720%0.204CC..  trans-64.6151.7165.600000110.5
110P94.4Very high97Very high4 Ų440 Ų403%0.02621%0.205CC..THydrogen-bonded Turntrans-60.3153.9172.729.4-37.4000111.2N112 I137 H162 V164 I176P110-N112 PolarHBondContact O-N 3.33Å; P110-I137 HydrophobicContact CB-CG2 4.15Å; P110-H162 HydrophobicContact CG-CB 3.86Å; P110-V164 HydrophobicContact CB-CG2 4.14Å; P110-V164 HydrophobicContact CG-CG2 3.8Å; P110-I176 HydrophobicContact CB-CD1 3.9Å; P110-I176 HydrophobicContact CB-CG2 4.04Å; P110-I176 HydrophobicContact CG-CG2 4.17Å
111L91.7Very high97Very high100 Ų10035.2 Ų35.252%0.52418%0.183SC..THydrogen-bonded Turntrans62.124.4-180-48.1175.5000114.5I176L111-I176 HydrophobicContact CD1-CB 4.46Å; L111-I176 HydrophobicContact CD1-CG2 4.02Å; L111-I176 HydrophobicContact CD2-CD1 4.34Å; L111-I176 HydrophobicContact CG-CG2 4.19Å
112N95Very high97.1Very high13 Ų1332 Ų327%0.0717%0.168CC..  trans-59.2134.5174.5-164.818.4000111.3I76 E108 P110 N116 M120I76-N112 HydrophobicContact CD1-CB 4.47Å; I76-N112 WeakPolarHBondContact CD1-OD1 3.28Å; E108-N112 HydrophobicContact CB-CB 4.31Å; E108-N112 HydrophobicContact CG-CB 4.39Å; E108-N112 WeakPolarHBondContact OE2-CB 3.46Å; E108-N112 PolarHBondContact OE2-ND2 3.48Å; P110-N112 PolarHBondContact O-N 3.33Å; N112-N116 WeakPolarHBondContact OD1-CB 3.14Å; N112-M120 WeakPolarHBondContact ND2-CE 3.29Å
113P96.2Very high97.1Very high59 Ų5931.1 Ų31.138%0.38316%0.164SC..  trans-54.9141.3177.6-29.336.6000113.1A115 N116 R117P113-A115 VanDerWaalsContact C-N 3.26Å; P113-A115 PolarHBondContact O-N 3.5Å; P113-N116 HydrophobicContact CB-CB 4.41Å; P113-N116 WeakPolarHBondContact O-CB 3.46Å; P113-N116 PolarHBondContact O-N 2.82Å; P113-R117 PolarHBondContact O-N 3.36Å
114K96.7Very high97.2Very high138 Ų13830 Ų3060%0.616%0.157SC*.Hα-helixtrans-55.7-41.8178.4-74.2-170.1174.3-173.80112.7N116 R117 E118 H372K114-N116 PolarHBondContact O-N 3.01Å; K114-R117 WeakPolarHBondContact O-CB 3.14Å; K114-R117 PolarHBondContact O-N 3.42Å; K114-R117 VanDerWaalsContact O-N 3.16Å; K114-E118 PolarHBondContact O-N 3.18Å; K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 3.2Å; K114-H372 PolarHBondContact O-CE1 3.05Å
115A97.6Very high97.2Very high65 Ų6530 Ų3054%0.53716%0.157SC..Hα-helixtrans-59.3-34.2176.700000112.4P113 K119P113-A115 VanDerWaalsContact C-N 3.26Å; P113-A115 PolarHBondContact O-N 3.5Å; A115-K119 WeakPolarHBondContact O-CB 2.95Å; A115-K119 PolarHBondContact O-N 3.41Å
116N97.9Very high97.1Very high22 Ų2234.7 Ų34.712%0.11818%0.179CC..Hα-helixtrans-69.8-41.7177.3-77.929000111.4I76 V77 W80 N112 P113 K114 E118 K119 M120I76-N116 WeakPolarHBondContact CG2-ND2 3.36Å; V77-N116 PolarHBondContact O-ND2 2.86Å; V77-N116 VanDerWaalsContact O-ND2 3.11Å; W80-N116 HydrophobicContact CH2-CB 4.25Å; W80-N116 WeakPolarHBondContact CH2-O 3.44Å; W80-N116 HydrophobicContact CZ2-CB 3.79Å; N112-N116 WeakPolarHBondContact OD1-CB 3.14Å; P113-N116 HydrophobicContact CB-CB 4.41Å; P113-N116 WeakPolarHBondContact O-CB 3.46Å; P113-N116 PolarHBondContact O-N 2.82Å; K114-N116 PolarHBondContact O-N 3.01Å; N116-E118 VanDerWaalsContact C-N 3.34Å; N116-E118 PolarHBondContact O-N 2.86Å; N116-K119 PolarHBondContact O-N 2.82Å; N116-M120 WeakPolarHBondContact O-CG 3.48Å; N116-M120 PolarHBondContact O-N 2.81Å
117R97.7Very high97.1Very high28 Ų2838 Ų3811%0.10620%0.199CC..Hα-helixtrans-59.5-45174.3-68.2170.8-179.5169-0.8112.1E108 P113 K114 K119 M120 T121 V371 F376E108-R117 IonicContact OE1-CZ 3.54Å; E108-R117 IonicContact OE1-NE 2.74Å; E108-R117 PolarHBondContact OE1-NE 2.96Å; E108-R117 IonicContact OE1-NH2 3.16Å; E108-R117 PolarHBondContact OE1-NH2 3.36Å; E108-R117 WeakPolarHBondContact OE2-CG 3.29Å; E108-R117 IonicContact OE2-NE 2.63Å; E108-R117 PolarHBondContact OE2-NE 3.28Å; E108-R117 VanDerWaalsContact OE2-NE 3.13Å; P113-R117 PolarHBondContact O-N 3.36Å; K114-R117 WeakPolarHBondContact O-CB 3.14Å; K114-R117 PolarHBondContact O-N 3.42Å; K114-R117 VanDerWaalsContact O-N 3.16Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-K119 PolarHBondContact O-N 2.88Å; R117-M120 HydrophobicContact CB-CE 4.46Å; R117-M120 HydrophobicContact CG-CE 4.15Å; R117-M120 PolarHBondContact O-N 2.96Å; R117-T121 WeakPolarHBondContact O-CB 3.27Å; R117-T121 PolarHBondContact O-N 3.45Å; R117-T121 PolarHBondContact O-OG1 2.87Å; R117-V371 HydrophobicContact CB-CG1 3.79Å; R117-V371 HydrophobicContact CB-CG2 4.28Å; R117-F376 HydrophobicContact CG-CE2 4.21Å
118E98.4Very high97.2Very high68 Ų6838.2 Ų38.232%0.31820%0.2SC..Hα-helixtrans-61.2-43.5175.1-72.1173.7-154.300111K114 N116 T121 Q122 P368 V371 H372K114-E118 PolarHBondContact O-N 3.18Å; N116-E118 VanDerWaalsContact C-N 3.34Å; N116-E118 PolarHBondContact O-N 2.86Å; E118-T121 WeakPolarHBondContact O-CB 3.26Å; E118-T121 PolarHBondContact O-N 2.93Å; E118-T121 VanDerWaalsContact O-N 3.16Å; E118-Q122 WeakPolarHBondContact O-CB 3.39Å; E118-Q122 PolarHBondContact O-N 3.4Å; E118-P368 HydrophobicContact CB-CB 3.75Å; E118-P368 HydrophobicContact CG-CB 4.08Å; E118-V371 HydrophobicContact CG-CG1 4.43Å; E118-H372 WeakPolarHBondContact CG-NE2 3.22Å; E118-H372 IonicContact OE1-CD2 3.39Å; E118-H372 IonicContact OE1-CE1 2.67Å; E118-H372 IonicContact OE1-NE2 3.9Å; E118-H372 PolarHBondContact OE1-NE2 3.19Å
119K98.4Very high97.2Very high60 Ų6042.1 Ų42.126%0.26122%0.221SC..Hα-helixtrans-67.3-39.6-179.8-169.358.7179171.40113.1W80 A115 N116 R117 T121 Q122 I123W80-K119 HydrophobicContact CD2-CB 4.15Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.49Å; W80-K119 HydrophobicContact CE3-CB 4.38Å; W80-K119 HydrophobicContact CE3-CG 3.71Å; W80-K119 HydrophobicContact CG-CG 3.79Å; W80-K119 HydrophobicContact CH2-CB 3.99Å; W80-K119 HydrophobicContact CH2-CG 4.22Å; W80-K119 HydrophobicContact CZ2-CB 3.73Å; W80-K119 HydrophobicContact CZ2-CG 3.94Å; W80-K119 HydrophobicContact CZ3-CB 4.29Å; W80-K119 HydrophobicContact CZ3-CG 4.1Å; A115-K119 WeakPolarHBondContact O-CB 2.95Å; A115-K119 PolarHBondContact O-N 3.41Å; N116-K119 PolarHBondContact O-N 2.82Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-K119 PolarHBondContact O-N 2.88Å; K119-T121 VanDerWaalsContact C-N 3.27Å; K119-T121 PolarHBondContact O-N 3.31Å; K119-Q122 PolarHBondContact O-N 3.35Å; K119-I123 HydrophobicContact CD-CD1 4.25Å; K119-I123 HydrophobicContact CD-CG1 4.42Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.44Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.28Å; K119-I123 PolarHBondContact O-N 2.88Å
120M97.7Very high97.4Very high4 Ų442 Ų422%0.0222%0.22CC..Hα-helixtrans-56.8-45.5170.4-64.8-168.6-77.800110.7W80 W87 L106 E108 N112 N116 R117 I123 M124 V135W80-M120 HydrophobicContact CH2-CG 3.56Å; W80-M120 HydrophobicContact CZ3-CG 3.77Å; W87-M120 HydrophobicContact CH2-CB 4.22Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.43Å; L106-M120 HydrophobicContact CD1-CB 4.06Å; L106-M120 HydrophobicContact CD1-SD 4.31Å; E108-M120 HydrophobicContact CB-CE 4.32Å; N112-M120 WeakPolarHBondContact ND2-CE 3.29Å; N116-M120 WeakPolarHBondContact O-CG 3.48Å; N116-M120 PolarHBondContact O-N 2.81Å; R117-M120 HydrophobicContact CB-CE 4.46Å; R117-M120 HydrophobicContact CG-CE 4.15Å; R117-M120 PolarHBondContact O-N 2.96Å; M120-I123 PolarHBondContact O-N 3.28Å; M120-M124 WeakPolarHBondContact O-CG 3.4Å; M120-M124 PolarHBondContact O-N 3.26Å; M120-M124 VanDerWaalsContact O-N 3.08Å; M120-V135 HydrophobicContact CE-CG1 3.74Å; M120-V135 HydrophobicContact CE-CG2 4.24Å
121T98.2Very high97.5Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-62.9-47.7-178.7-53.60000111.6R117 E118 K119 I123 M124 F125 M133 Y363 I370 V371R117-T121 WeakPolarHBondContact O-CB 3.27Å; R117-T121 PolarHBondContact O-N 3.45Å; R117-T121 PolarHBondContact O-OG1 2.87Å; E118-T121 WeakPolarHBondContact O-CB 3.26Å; E118-T121 PolarHBondContact O-N 2.93Å; E118-T121 VanDerWaalsContact O-N 3.16Å; K119-T121 VanDerWaalsContact C-N 3.27Å; K119-T121 PolarHBondContact O-N 3.31Å; T121-I123 PolarHBondContact O-N 3.44Å; T121-M124 PolarHBondContact O-N 3.49Å; T121-F125 HydrophobicContact CG2-CD2 3.84Å; T121-F125 HydrophobicContact CG2-CE2 3.89Å; T121-F125 VanDerWaalsContact O-CD2 3.31Å; T121-F125 WeakPolarHBondContact O-CD2 3.44Å; T121-F125 PolarHBondContact O-N 3.29Å; T121-M133 VanDerWaalsContact CA-SD 3.56Å; T121-M133 HydrophobicContact CG2-SD 3.99Å; T121-Y363 HydrophobicContact CG2-CD2 3.82Å; T121-Y363 HydrophobicContact CG2-CE2 4.02Å; T121-I370 HydrophobicContact CG2-CG2 4.35Å; T121-V371 WeakPolarHBondContact OG1-CB 3.32Å
122Q98.4Very high97.8Very high59 Ų5940.2 Ų40.228%0.27622%0.215SC..Hα-helixtrans-56.7-50.6176.6-171.3-169.8-0.900111.3E118 K119 M124 F125 E126 P368E118-Q122 WeakPolarHBondContact O-CB 3.39Å; E118-Q122 PolarHBondContact O-N 3.4Å; K119-Q122 PolarHBondContact O-N 3.35Å; Q122-M124 PolarHBondContact O-N 2.89Å; Q122-F125 PolarHBondContact O-N 3.04Å; Q122-E126 HydrophobicContact CG-CG 4.12Å; Q122-E126 VanDerWaalsContact CG-OE2 3.22Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.36Å; Q122-E126 PolarHBondContact NE2-OE2 3.41Å; Q122-E126 VanDerWaalsContact O-CB 3.23Å; Q122-E126 WeakPolarHBondContact O-CB 3.31Å; Q122-E126 WeakPolarHBondContact O-CG 3.38Å; Q122-E126 PolarHBondContact O-N 3.11Å; Q122-P368 HydrophobicContact CB-CG 4.16Å
123I98.5Very high98Very high2 Ų239.6 Ų39.61%0.0121%0.212CC..Hα-helixtrans-63.4-44.5-176.1-69.7165.2000111.6W80 E84 W87 K119 M120 T121 F125 T127 F128W80-I123 HydrophobicContact CD2-CD1 4.3Å; W80-I123 HydrophobicContact CE3-CD1 3.5Å; W80-I123 VanDerWaalsContact CE3-CD1 3.5Å; W80-I123 HydrophobicContact CZ3-CD1 4.1Å; E84-I123 HydrophobicContact CG-CD1 3.77Å; E84-I123 HydrophobicContact CG-CG1 4.18Å; E84-I123 HydrophobicContact CG-CG2 3.74Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.5Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.4Å; W87-I123 HydrophobicContact CE3-CG2 3.79Å; W87-I123 HydrophobicContact CZ3-CB 4.04Å; W87-I123 HydrophobicContact CZ3-CD1 3.89Å; W87-I123 HydrophobicContact CZ3-CG2 3.65Å; K119-I123 HydrophobicContact CD-CD1 4.25Å; K119-I123 HydrophobicContact CD-CG1 4.42Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.44Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.28Å; K119-I123 PolarHBondContact O-N 2.88Å; M120-I123 PolarHBondContact O-N 3.28Å; T121-I123 PolarHBondContact O-N 3.44Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3.33Å; I123-T127 WeakPolarHBondContact O-CA 3.36Å; I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.37Å; I123-T127 PolarHBondContact O-N 3.48Å; I123-F128 HydrophobicContact CG2-CD2 3.78Å; I123-F128 HydrophobicContact CG2-CE2 3.63Å; I123-F128 PolarHBondContact O-N 3.37Å; I123-F128 VanDerWaalsContact O-N 3.1Å
124M98.5Very high98.1Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-60.9-42.5-179.7-71.9-65.6136.600111.6W87 F91 V104 L106 M120 T121 Q122 F128 N129 T130 M133W87-M124 HydrophobicContact CB-CE 4.26Å; W87-M124 HydrophobicContact CD2-CE 3.34Å; W87-M124 HydrophobicContact CE3-CE 3.37Å; W87-M124 HydrophobicContact CG-CE 3.78Å; W87-M124 HydrophobicContact CH2-CE 4.03Å; W87-M124 HydrophobicContact CZ2-CE 4.07Å; W87-M124 HydrophobicContact CZ3-CE 3.72Å; F91-M124 HydrophobicContact CE2-CE 4.2Å; F91-M124 HydrophobicContact CE2-SD 4.32Å; F91-M124 HydrophobicContact CZ-CE 4.19Å; F91-M124 HydrophobicContact CZ-SD 4.12Å; V104-M124 HydrophobicContact CB-SD 4.47Å; V104-M124 HydrophobicContact CG1-SD 4.14Å; L106-M124 HydrophobicContact CD1-CE 3.9Å; L106-M124 HydrophobicContact CD1-CG 3.73Å; L106-M124 HydrophobicContact CD1-SD 4.17Å; L106-M124 HydrophobicContact CD2-CE 4.03Å; L106-M124 HydrophobicContact CD2-SD 4.38Å; L106-M124 HydrophobicContact CG-CE 4.49Å; M120-M124 WeakPolarHBondContact O-CG 3.4Å; M120-M124 PolarHBondContact O-N 3.26Å; M120-M124 VanDerWaalsContact O-N 3.08Å; T121-M124 PolarHBondContact O-N 3.49Å; Q122-M124 PolarHBondContact O-N 2.89Å; M124-F128 HydrophobicContact CE-CD2 3.97Å; M124-F128 HydrophobicContact CE-CE2 4.21Å; M124-F128 CarbonylContact O-C 3.57Å; M124-F128 HydrophobicContact SD-CD2 4.25Å; M124-N129 PolarHBondContact O-N 3.43Å; M124-T130 HydrophobicContact CB-CG2 4.32Å; M124-T130 PolarHBondContact O-N 2.95Å; M124-T130 PolarHBondContact O-OG1 2.94Å; M124-T130 HydrophobicContact SD-CG2 4.15Å; M124-M133 HydrophobicContact CB-SD 3.57Å; M124-M133 VanDerWaalsContact CB-SD 3.57Å; M124-M133 HydrophobicContact CG-SD 3.96Å
125F98.5Very high98.1Very high0 Ų031.5 Ų31.50%017%0.171CC..Hα-helixtrans-84.7-32.5-178.6-74.7-59.3000115.6T121 Q122 I123 N129 T130 M133 I358 K360 Y363T121-F125 HydrophobicContact CG2-CD2 3.84Å; T121-F125 HydrophobicContact CG2-CE2 3.89Å; T121-F125 VanDerWaalsContact O-CD2 3.31Å; T121-F125 WeakPolarHBondContact O-CD2 3.44Å; T121-F125 PolarHBondContact O-N 3.29Å; Q122-F125 PolarHBondContact O-N 3.04Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3.33Å; F125-N129 PolarHBondContact O-OD1 3.33Å; F125-T130 WeakPolarHBondContact CD1-O 3.32Å; F125-T130 VanDerWaalsContact CE1-O 3.32Å; F125-T130 WeakPolarHBondContact CE1-O 3.4Å; F125-M133 HydrophobicContact CD2-CG 4.23Å; F125-M133 HydrophobicContact CD2-SD 4.14Å; F125-M133 HydrophobicContact CE1-CG 4.39Å; F125-M133 HydrophobicContact CE2-CG 3.46Å; F125-M133 VanDerWaalsContact CE2-CG 3.46Å; F125-M133 HydrophobicContact CE2-SD 3.85Å; F125-M133 HydrophobicContact CZ-CG 3.57Å; F125-I358 HydrophobicContact CE2-CB 4.44Å; F125-I358 HydrophobicContact CE2-CG2 3.81Å; F125-I358 HydrophobicContact CZ-CB 4.26Å; F125-I358 HydrophobicContact CZ-CG2 3.83Å; F125-I358 WeakPolarHBondContact CZ-O 3.39Å; F125-K360 HydrophobicContact CB-CD 4.2Å; F125-K360 HydrophobicContact CD1-CB 4.18Å; F125-K360 HydrophobicContact CD1-CD 3.57Å; F125-K360 HydrophobicContact CD1-CG 4.49Å; F125-K360 HydrophobicContact CE1-CB 4.05Å; F125-K360 HydrophobicContact CE1-CD 4.29Å; F125-K360 HydrophobicContact CG-CD 4.21Å; F125-K360 PolarHBondContact O-NZ 3.18Å; F125-Y363 HydrophobicContact CB-CD1 3.63Å; F125-Y363 HydrophobicContact CB-CD2 4.26Å; F125-Y363 HydrophobicContact CB-CE1 3.74Å; F125-Y363 HydrophobicContact CB-CE2 4.32Å; F125-Y363 HydrophobicContact CB-CG 3.91Å; F125-Y363 HydrophobicContact CD1-CG 4.47Å; F125-Y363 AromaticContact CD2-CD1 3.98Å; F125-Y363 HydrophobicContact CD2-CD1 3.98Å; F125-Y363 AromaticContact CD2-CD2 3.32Å; F125-Y363 HydrophobicContact CD2-CD2 3.32Å; F125-Y363 AromaticContact CD2-CE2 3.95Å; F125-Y363 HydrophobicContact CD2-CE2 3.95Å; F125-Y363 AromaticContact CD2-CG 3.32Å; F125-Y363 HydrophobicContact CD2-CG 3.32Å; F125-Y363 AromaticContact CE2-CD2 3.88Å; F125-Y363 HydrophobicContact CE2-CD2 3.88Å; F125-Y363 AromaticContact CE2-CG 3.85Å; F125-Y363 HydrophobicContact CE2-CG 3.85Å; F125-Y363 AromaticContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD2 4.06Å; F125-Y363 HydrophobicContact CG-CE1 4.42Å; F125-Y363 AromaticContact CG-CG 3.67Å; F125-Y363 HydrophobicContact CG-CG 3.67Å
126E98.4Very high98.1Very high97 Ų9728.8 Ų28.845%0.45315%0.148SC..Hα-helixtrans-95.9-38.9-175.2-63.9-177.4-176.600112.6Q122 Y363Q122-E126 HydrophobicContact CG-CG 4.12Å; Q122-E126 VanDerWaalsContact CG-OE2 3.22Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.36Å; Q122-E126 PolarHBondContact NE2-OE2 3.41Å; Q122-E126 VanDerWaalsContact O-CB 3.23Å; Q122-E126 WeakPolarHBondContact O-CB 3.31Å; Q122-E126 WeakPolarHBondContact O-CG 3.38Å; Q122-E126 PolarHBondContact O-N 3.11Å; E126-Y363 VanDerWaalsContact CD-OH 3.29Å; E126-Y363 HydrophobicContact CG-CE1 4.08Å; E126-Y363 PolarHBondContact OE1-OH 3.21Å
127T98.2Very high98.1Very high71 Ų7128.9 Ų28.944%0.43615%0.148SC..THydrogen-bonded Turntrans-90-50.2-179.5-54.10000111I123I123-T127 WeakPolarHBondContact O-CA 3.36Å; I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.37Å; I123-T127 PolarHBondContact O-N 3.48Å
128F98.3Very high98.1Very high6 Ų628.4 Ų28.43%0.02615%0.147CC..SBendtrans-94.3-6-175.9-65.8-67.2000114.3W87 H88 F91 Y92 P99 I123 M124 T130W87-F128 HydrophobicContact CB-CE2 3.72Å; W87-F128 HydrophobicContact CB-CZ 3.69Å; W87-F128 HydrophobicContact CE3-CE2 4.07Å; H88-F128 HydrophobicContact CB-CE1 4.08Å; H88-F128 HydrophobicContact CB-CZ 4.19Å; F91-F128 AromaticContact CD2-CD1 3.82Å; F91-F128 HydrophobicContact CD2-CD1 3.82Å; F91-F128 AromaticContact CD2-CE1 3.89Å; F91-F128 HydrophobicContact CD2-CE1 3.89Å; F91-F128 HydrophobicContact CD2-CG 4.23Å; F91-F128 HydrophobicContact CD2-CZ 4.38Å; F91-F128 HydrophobicContact CE2-CD1 4.01Å; F91-F128 HydrophobicContact CE2-CD2 4.09Å; F91-F128 HydrophobicContact CE2-CE1 4.21Å; F91-F128 HydrophobicContact CE2-CE2 4.29Å; F91-F128 AromaticContact CE2-CG 3.95Å; F91-F128 HydrophobicContact CE2-CG 3.95Å; F91-F128 HydrophobicContact CE2-CZ 4.35Å; Y92-F128 HydrophobicContact CE2-CD1 4.49Å; Y92-F128 HydrophobicContact CE2-CE1 4.35Å; P99-F128 HydrophobicContact CB-CB 4.14Å; P99-F128 HydrophobicContact CG-CB 3.96Å; P99-F128 HydrophobicContact CG-CD1 3.85Å; P99-F128 HydrophobicContact CG-CG 4.31Å; I123-F128 HydrophobicContact CG2-CD2 3.78Å; I123-F128 HydrophobicContact CG2-CE2 3.63Å; I123-F128 PolarHBondContact O-N 3.37Å; I123-F128 VanDerWaalsContact O-N 3.1Å; M124-F128 HydrophobicContact CE-CD2 3.97Å; M124-F128 HydrophobicContact CE-CE2 4.21Å; M124-F128 CarbonylContact O-C 3.57Å; M124-F128 HydrophobicContact SD-CD2 4.25Å; F128-T130 HydrophobicContact CB-CG2 4.09Å; F128-T130 PolarHBondContact O-N 2.69Å; F128-T130 VanDerWaalsContact O-N 3.08Å
129N98.2Very high98Very high86 Ų8625.1 Ų25.146%0.4613%0.132SC..  trans50.533178.5-60.7-67.9000114.1E100 M124 F125E100-N129 WeakPolarHBondContact CA-O 3.42Å; E100-N129 HydrophobicContact CB-CB 4.18Å; M124-N129 PolarHBondContact O-N 3.43Å; F125-N129 PolarHBondContact O-OD1 3.33Å
130T98.1Very high98Very high0 Ų023 Ų230%012%0.124CC..  trans-59.2135.8-179.558.50000110P99 V104 M124 F125 F128 A132P99-T130 HydrophobicContact CB-CG2 4.19Å; V104-T130 HydrophobicContact CB-CG2 4.25Å; V104-T130 HydrophobicContact CG2-CG2 3.53Å; M124-T130 HydrophobicContact CB-CG2 4.32Å; M124-T130 PolarHBondContact O-N 2.95Å; M124-T130 PolarHBondContact O-OG1 2.94Å; M124-T130 HydrophobicContact SD-CG2 4.15Å; F125-T130 WeakPolarHBondContact CD1-O 3.32Å; F125-T130 VanDerWaalsContact CE1-O 3.32Å; F125-T130 WeakPolarHBondContact CE1-O 3.4Å; F128-T130 HydrophobicContact CB-CG2 4.09Å; F128-T130 PolarHBondContact O-N 2.69Å; F128-T130 VanDerWaalsContact O-N 3.08Å; T130-A132 PolarHBondContact O-N 3.07Å
131P97.6Very high98Very high53 Ų5322.9 Ų22.934%0.34412%0.123SC..SBendtrans-66.6-30.2-177.726.4-35000112.3E100 H102 K360E100-P131 WeakPolarHBondContact O-CD 3.39Å; H102-P131 VanDerWaalsContact O-CD 3.31Å; H102-P131 WeakPolarHBondContact O-CD 3.47Å; P131-K360 PolarHBondContact O-N 3.35Å
132A97.9Very high98Very high13 Ų1322.9 Ų22.911%0.10712%0.123CC..EExtended strand (participates in β ladder)trans-154.7155.8176.800000110.9P103 V104 T130 W357 I358P103-A132 CarbonylContact C-O 3.37Å; P103-A132 VanDerWaalsContact CA-O 3.25Å; P103-A132 WeakPolarHBondContact CA-O 3.47Å; P103-A132 HydrophobicContact CB-CB 4.13Å; P103-A132 HydrophobicContact CG-CB 4.48Å; V104-A132 PolarHBondContact N-O 3.36Å; T130-A132 PolarHBondContact O-N 3.07Å; A132-W357 HydrophobicContact CB-CB 4.09Å; A132-W357 HydrophobicContact CB-CG 4.42Å; A132-I358 CarbonylContact C-O 3.59Å; A132-I358 WeakPolarHBondContact CA-O 3.43Å; A132-I358 WeakPolarHBondContact CB-O 3.44Å
133M98Very high98Very high0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-149.8164.6173.566.7158.5-71.600113.5V104 L106 T121 M124 F125 V135 I358V104-M133 CarbonylContact O-C 3.17Å; V104-M133 WeakPolarHBondContact O-CA 3.24Å; V104-M133 VanDerWaalsContact O-CB 3.26Å; V104-M133 WeakPolarHBondContact O-CB 3.36Å; L106-M133 HydrophobicContact CD1-CE 4.36Å; T121-M133 VanDerWaalsContact CA-SD 3.56Å; T121-M133 HydrophobicContact CG2-SD 3.99Å; M124-M133 HydrophobicContact CB-SD 3.57Å; M124-M133 VanDerWaalsContact CB-SD 3.57Å; M124-M133 HydrophobicContact CG-SD 3.96Å; F125-M133 HydrophobicContact CD2-CG 4.23Å; F125-M133 HydrophobicContact CD2-SD 4.14Å; F125-M133 HydrophobicContact CE1-CG 4.39Å; F125-M133 HydrophobicContact CE2-CG 3.46Å; F125-M133 VanDerWaalsContact CE2-CG 3.46Å; F125-M133 HydrophobicContact CE2-SD 3.85Å; F125-M133 HydrophobicContact CZ-CG 3.57Å; M133-V135 HydrophobicContact CE-CG2 3.41Å; M133-V135 VanDerWaalsContact CE-CG2 3.41Å; M133-I358 PolarHBondContact N-O 3.33Å; M133-I358 WeakPolarHBondContact O-CB 3.23Å; M133-I358 PolarHBondContact O-N 3.01Å
134Y98.2Very high97.9Very high28 Ų2822.8 Ų22.811%0.1112%0.121CC..EExtended strand (participates in β ladder)trans-146.8148.2174.6-168.8-94.9000110V104 L105 L106 A136 F353 M356 C375V104-Y134 PolarHBondContact O-N 2.8Å; L105-Y134 WeakPolarHBondContact CA-O 3.32Å; L105-Y134 HydrophobicContact CD1-CD1 4.36Å; L106-Y134 PolarHBondContact N-O 2.92Å; Y134-A136 HydrophobicContact CD1-CB 4.07Å; Y134-A136 HydrophobicContact CE1-CB 3.91Å; Y134-F353 HydrophobicContact CD1-CE2 4.19Å; Y134-F353 AromaticContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD2-CE2 4.29Å; Y134-F353 AromaticContact CD2-CZ 3.87Å; Y134-F353 HydrophobicContact CD2-CZ 3.87Å; Y134-F353 HydrophobicContact CE1-CE2 4.05Å; Y134-F353 AromaticContact CE1-CZ 3.95Å; Y134-F353 HydrophobicContact CE1-CZ 3.95Å; Y134-F353 HydrophobicContact CE2-CE2 4.17Å; Y134-F353 HydrophobicContact CE2-CZ 4.2Å; Y134-F353 HydrophobicContact CG-CE1 4.46Å; Y134-F353 HydrophobicContact CG-CE2 4.3Å; Y134-F353 AromaticContact CG-CZ 3.56Å; Y134-F353 HydrophobicContact CG-CZ 3.56Å; Y134-M356 WeakPolarHBondContact CD2-O 2.98Å; Y134-M356 HydrophobicContact CE2-CB 4.19Å; Y134-C375 WeakPolarHBondContact CD2-SG 3.22Å; Y134-C375 HydrophobicContact CE2-CB 4.15Å; Y134-C375 VanDerWaalsContact CE2-SG 3.51Å
135V98Very high97.8Very high0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-116.3125.1173.4-175.50000109.3L106 E108 M120 M133 V371 C375 F376L106-V135 WeakPolarHBondContact O-CA 3.2Å; E108-V135 HydrophobicContact CB-CG1 4.12Å; E108-V135 HydrophobicContact CG-CG1 3.75Å; M120-V135 HydrophobicContact CE-CG1 3.74Å; M120-V135 HydrophobicContact CE-CG2 4.24Å; M133-V135 HydrophobicContact CE-CG2 3.41Å; M133-V135 VanDerWaalsContact CE-CG2 3.41Å; V135-V371 HydrophobicContact CB-CG2 4.32Å; V135-V371 HydrophobicContact CG2-CG2 4.03Å; V135-C375 PolarHBondContact N-SG 2.91Å; V135-C375 WeakPolarHBondContact O-CB 3.22Å; V135-F376 HydrophobicContact CB-CE2 4.32Å; V135-F376 HydrophobicContact CB-CZ 4.36Å; V135-F376 HydrophobicContact CG1-CE2 4.35Å; V135-F376 HydrophobicContact CG1-CZ 4.03Å
136A97.4Very high97.6Very high8 Ų825 Ų257%0.06614%0.138CC..EExtended strand (participates in β ladder)trans-122.8147.4-179.200000112.4L105 L106 T107 E108 Y134 Q138 L141L105-A136 HydrophobicContact CD2-CB 4.27Å; L106-A136 PolarHBondContact O-N 3.4Å; T107-A136 CarbonylContact C-O 3.6Å; T107-A136 VanDerWaalsContact CA-O 3.28Å; T107-A136 WeakPolarHBondContact CA-O 3.33Å; E108-A136 PolarHBondContact N-O 3.46Å; Y134-A136 HydrophobicContact CD1-CB 4.07Å; Y134-A136 HydrophobicContact CE1-CB 3.91Å; A136-Q138 PolarHBondContact O-N 3.45Å; A136-L141 HydrophobicContact CB-CD1 3.86Å; A136-L141 HydrophobicContact CB-CD2 3.8Å; A136-L141 HydrophobicContact CB-CG 3.9Å
137I97.1Very high97.5Very high24 Ų2423.9 Ų23.912%0.12315%0.152CC..EExtended strand (participates in β ladder)trans-72.7127.4176.3-57.7177.3000109.3E108 P110 A139 V140 L141 A171 F376E108-I137 WeakPolarHBondContact O-CA 3.43Å; P110-I137 HydrophobicContact CB-CG2 4.15Å; I137-A139 VanDerWaalsContact C-N 3.3Å; I137-A139 HydrophobicContact CG2-CB 4.3Å; I137-A139 PolarHBondContact O-N 3.12Å; I137-V140 HydrophobicContact CB-CB 4.27Å; I137-V140 HydrophobicContact CB-CG2 3.91Å; I137-V140 HydrophobicContact CD1-CG2 4.49Å; I137-V140 HydrophobicContact CG2-CG2 4.28Å; I137-V140 PolarHBondContact O-N 3.15Å; I137-L141 PolarHBondContact O-N 3.04Å; I137-L141 VanDerWaalsContact O-N 3.16Å; I137-A171 HydrophobicContact CD1-CB 4.07Å; I137-F376 HydrophobicContact CD1-CD1 4.39Å; I137-F376 HydrophobicContact CD1-CE1 4.08Å; I137-F376 HydrophobicContact CG1-CD1 4.5Å; I137-F376 HydrophobicContact CG1-CE1 3.73Å
138Q97.9Very high97.4Very high17 Ų1723.4 Ų23.48%0.07914%0.142CC..Hα-helixtrans-50.8-48-178.6-73174.7-39.900112.6D12 N13 T107 E108 A136 V140 L141 S142 V340D12-Q138 PolarHBondContact OD1-NE2 3.35Å; N13-Q138 PolarHBondContact O-NE2 3.17Å; T107-Q138 PolarHBondContact OG1-NE2 3.23Å; E108-Q138 VanDerWaalsContact O-CG 3.31Å; E108-Q138 WeakPolarHBondContact O-CG 3.38Å; E108-Q138 PolarHBondContact O-N 3.23Å; A136-Q138 PolarHBondContact O-N 3.45Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.98Å; Q138-L141 PolarHBondContact O-N 2.81Å; Q138-S142 PolarHBondContact O-N 3.46Å; Q138-S142 PolarHBondContact O-OG 2.87Å; Q138-V340 HydrophobicContact CB-CG1 3.95Å; Q138-V340 HydrophobicContact CB-CG2 3.89Å; Q138-V340 HydrophobicContact CG-CG1 3.75Å; Q138-V340 HydrophobicContact CG-CG2 4.38Å
139A97.7Very high97.3Very high0 Ų027 Ų270%017%0.165CC..Hα-helixtrans-62.4-37.1178.700000113.7I137 S142 L143 V153 V164I137-A139 VanDerWaalsContact C-N 3.3Å; I137-A139 HydrophobicContact CG2-CB 4.3Å; I137-A139 PolarHBondContact O-N 3.12Å; A139-S142 PolarHBondContact O-N 2.84Å; A139-L143 PolarHBondContact O-N 3.06Å; A139-V153 HydrophobicContact CB-CB 4.04Å; A139-V153 HydrophobicContact CB-CG1 4.11Å; A139-V153 WeakPolarHBondContact O-CG2 3.24Å; A139-V164 HydrophobicContact CB-CB 3.53Å; A139-V164 HydrophobicContact CB-CG1 3.93Å; A139-V164 HydrophobicContact CB-CG2 3.48Å; A139-V164 VanDerWaalsContact CB-CG2 3.48Å
140V97.5Very high97.3Very high16 Ų1624 Ų2410%0.09715%0.15CC..Hα-helixtrans-64.9-44.6177.2175.90000110.1I137 Q138 S142 L143 Y144 I166 A171I137-V140 HydrophobicContact CB-CB 4.27Å; I137-V140 HydrophobicContact CB-CG2 3.91Å; I137-V140 HydrophobicContact CD1-CG2 4.49Å; I137-V140 HydrophobicContact CG2-CG2 4.28Å; I137-V140 PolarHBondContact O-N 3.15Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.98Å; V140-S142 PolarHBondContact O-N 2.76Å; V140-L143 WeakPolarHBondContact O-CB 3.46Å; V140-L143 PolarHBondContact O-N 3.29Å; V140-Y144 HydrophobicContact CG1-CD2 4.42Å; V140-Y144 HydrophobicContact CG1-CE1 4.01Å; V140-Y144 HydrophobicContact CG1-CE2 3.78Å; V140-Y144 PolarHBondContact O-N 2.83Å; 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 4.13Å; V140-A171 HydrophobicContact CG2-CB 4.03Å
141L97.9Very high97.3Very high0 Ų024 Ų240%015%0.15CC..Hα-helixtrans-61.9-43.4175.3-60.1-178.1000111.7L105 T107 A136 I137 Q138 L143 Y144 A145 V340 G343 L347L105-L141 HydrophobicContact CD2-CD1 4.03Å; T107-L141 HydrophobicContact CG2-CD1 3.55Å; A136-L141 HydrophobicContact CB-CD1 3.86Å; A136-L141 HydrophobicContact CB-CD2 3.8Å; A136-L141 HydrophobicContact CB-CG 3.9Å; I137-L141 PolarHBondContact O-N 3.04Å; I137-L141 VanDerWaalsContact O-N 3.16Å; Q138-L141 PolarHBondContact O-N 2.81Å; L141-L143 PolarHBondContact O-N 2.97Å; L141-Y144 HydrophobicContact CD2-CD2 4.26Å; L141-Y144 WeakPolarHBondContact O-CA 3.27Å; L141-Y144 WeakPolarHBondContact O-CB 3.22Å; L141-Y144 PolarHBondContact O-N 2.83Å; L141-A145 PolarHBondContact O-N 3.16Å; L141-V340 WeakPolarHBondContact CB-O 3.41Å; L141-V340 HydrophobicContact CD1-CG1 4.32Å; L141-G343 VanDerWaalsContact O-CA 3.26Å; L141-G343 WeakPolarHBondContact O-CA 3.11Å; L141-L347 HydrophobicContact CD2-CB 4.27Å; L141-L347 HydrophobicContact CD2-CD2 3.64Å
142S98.1Very high97.3Very high0 Ų021.5 Ų21.50%013%0.133CC..Hα-helixtrans-59.8-33.3176-74.90000113.2Q138 A139 V140 S301 S339 V340Q138-S142 PolarHBondContact O-N 3.46Å; Q138-S142 PolarHBondContact O-OG 2.87Å; A139-S142 PolarHBondContact O-N 2.84Å; V140-S142 PolarHBondContact O-N 2.76Å; S142-S301 WeakPolarHBondContact CB-OG 3.23Å; S142-S301 WeakPolarHBondContact OG-CB 3.35Å; S142-S301 PolarHBondContact OG-OG 2.93Å; S142-S339 WeakPolarHBondContact OG-CB 3.5Å; S142-V340 WeakPolarHBondContact OG-CG2 3.34Å; S142-V340 PolarHBondContact OG-N 3.22Å
143L97.8Very high97.4Very high0 Ų020.9 Ų20.90%013%0.128CC..Hα-helixtrans-67.5-43.5172.6-169.170.2000111.3A139 V140 L141 A145 S146 R148 V153 I166 V299A139-L143 PolarHBondContact O-N 3.06Å; V140-L143 WeakPolarHBondContact O-CB 3.46Å; V140-L143 PolarHBondContact O-N 3.29Å; L141-L143 PolarHBondContact O-N 2.97Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.86Å; L143-S146 WeakPolarHBondContact O-CB 3.39Å; L143-S146 PolarHBondContact O-N 2.84Å; L143-S146 PolarHBondContact O-OG 3.02Å; L143-R148 CarbonylContact C-O 3.6Å; L143-R148 HydrophobicContact CD1-CB 3.86Å; L143-R148 HydrophobicContact CG-CB 3.92Å; L143-R148 WeakPolarHBondContact CG-O 3.26Å; L143-R148 PolarHBondContact O-N 3.09Å; L143-V153 HydrophobicContact CB-CG2 3.9Å; L143-V153 HydrophobicContact CD1-CG2 4.11Å; L143-I166 HydrophobicContact CB-CD1 3.96Å; L143-I166 HydrophobicContact CD2-CB 3.71Å; L143-I166 HydrophobicContact CD2-CD1 3.81Å; L143-I166 HydrophobicContact CD2-CG1 4.39Å; L143-I166 HydrophobicContact CD2-CG2 3.59Å; L143-I166 HydrophobicContact CG-CD1 4.45Å; L143-V299 HydrophobicContact CD1-CG2 3.8Å
144Y96.2Very high97.4Very high59 Ų5920.9 Ų20.923%0.23113%0.128CC..Hα-helixtrans-61-39.6176.7-64.7-13.5000112.6V140 L141 S146 G147 R148 T149 L347V140-Y144 HydrophobicContact CG1-CD2 4.42Å; V140-Y144 HydrophobicContact CG1-CE1 4.01Å; V140-Y144 HydrophobicContact CG1-CE2 3.78Å; V140-Y144 PolarHBondContact O-N 2.83Å; V140-Y144 VanDerWaalsContact O-N 3.09Å; L141-Y144 HydrophobicContact CD2-CD2 4.26Å; L141-Y144 WeakPolarHBondContact O-CA 3.27Å; L141-Y144 WeakPolarHBondContact O-CB 3.22Å; L141-Y144 PolarHBondContact O-N 2.83Å; Y144-S146 PolarHBondContact O-N 2.72Å; Y144-S146 VanDerWaalsContact O-N 3.13Å; Y144-G147 WeakPolarHBondContact O-CA 3.34Å; Y144-G147 PolarHBondContact O-N 3.39Å; Y144-R148 WeakPolarHBondContact CD1-O 3.14Å; Y144-T149 HydrophobicContact CE1-CG2 4.45Å; Y144-L347 HydrophobicContact CD2-CB 4.44Å; Y144-L347 HydrophobicContact CD2-CD1 4.37Å; Y144-L347 HydrophobicContact CE2-CD1 4.03Å; Y144-L347 HydrophobicContact CE2-CD2 4.24Å
145A96.7Very high97.4Very high25 Ų2520.1 Ų20.121%0.20713%0.126CC..Hα-helixtrans-58.2-26.4173.900000113L141 L143 G147 S339 I342L141-A145 PolarHBondContact O-N 3.16Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.86Å; A145-G147 VanDerWaalsContact C-N 3.31Å; A145-S339 VanDerWaalsContact CB-O 3.27Å; A145-S339 WeakPolarHBondContact CB-O 3.45Å; A145-I342 HydrophobicContact CB-CB 4.11Å; A145-I342 HydrophobicContact CB-CG2 3.9Å
146S95.6Very high97.5Very high23 Ų2320.2 Ų20.216%0.16113%0.127CC..THydrogen-bonded Turntrans-85.4-1175.285.90000114L143 Y144 R148L143-S146 WeakPolarHBondContact O-CB 3.39Å; L143-S146 PolarHBondContact O-N 2.84Å; L143-S146 PolarHBondContact O-OG 3.02Å; Y144-S146 PolarHBondContact O-N 2.72Å; Y144-S146 VanDerWaalsContact O-N 3.13Å; S146-R148 PolarHBondContact O-NH1 3.41Å; S146-R148 WeakPolarHBondContact OG-CD 3.46Å; S146-R148 PolarHBondContact OG-NH1 3.16Å
147G95.2Very high97.4Very high72 Ų7221 Ų2174%0.74214%0.136SC*.THydrogen-bonded Turntrans73.434.1-175.800000113.6Y144 A145Y144-G147 WeakPolarHBondContact O-CA 3.34Å; Y144-G147 PolarHBondContact O-N 3.39Å; A145-G147 VanDerWaalsContact C-N 3.31Å
148R96.4Very high97.4Very high61 Ų6121.7 Ų21.723%0.2314%0.139CC..  trans-129.8151-176.2-67.8175.717865.917.4111.7L143 Y144 S146 N297 I331L143-R148 CarbonylContact C-O 3.6Å; L143-R148 HydrophobicContact CD1-CB 3.86Å; L143-R148 HydrophobicContact CG-CB 3.92Å; L143-R148 WeakPolarHBondContact CG-O 3.26Å; L143-R148 PolarHBondContact O-N 3.09Å; Y144-R148 WeakPolarHBondContact CD1-O 3.14Å; S146-R148 PolarHBondContact O-NH1 3.41Å; S146-R148 WeakPolarHBondContact OG-CD 3.46Å; S146-R148 PolarHBondContact OG-NH1 3.16Å; R148-N297 WeakPolarHBondContact CD-OD1 3.5Å; R148-N297 PolarHBondContact NE-OD1 2.63Å; R148-I331 VanDerWaalsContact CZ-CD1 3.43Å; R148-I331 VanDerWaalsContact NE-CD1 3.28Å
149T95.6Very high97.3Very high81 Ų8121 Ų2150%0.49714%0.138SC..SBendtrans-115.1-15.117254.20000112.7Y144 E168 G169Y144-T149 HydrophobicContact CE1-CG2 4.45Å; T149-E168 PolarHBondContact O-N 2.82Å; T149-G169 PolarHBondContact O-N 2.88Å
150T98.1Very high97.3Very high24 Ų2421.5 Ų21.515%0.14714%0.14CC..SBendtrans-126.2133.6175.3-61.50000110I166 Y167 E168 D293T150-I166 WeakPolarHBondContact CA-O 3.34Å; T150-Y167 HydrophobicContact CG2-CD2 3.71Å; T150-Y167 HydrophobicContact CG2-CE2 4.27Å; T150-E168 PolarHBondContact OG1-N 3.11Å; T150-D293 HydrophobicContact CG2-CB 3.86Å
151G98.5Very high97.3Very high0 Ų020.9 Ų20.90%014%0.137CC..EExtended strand (participates in β ladder)trans160.5-179.3-179.200000111.5I166 L294 N297G151-I166 PolarHBondContact N-O 3.43Å; G151-I166 PolarHBondContact O-N 3.31Å; G151-L294 VanDerWaalsContact C-CD2 3.46Å; G151-L294 VanDerWaalsContact O-CD2 3.3Å; G151-L294 WeakPolarHBondContact O-CD2 3.41Å; G151-N297 WeakPolarHBondContact CA-O 3.07Å
152I98.8Very high97.4Very high0 Ų021 Ų210%014%0.137CC..EExtended strand (participates in β ladder)trans-118.1136172-174.6166.7000109.3P165 T279 S282 I283 N297 T298 V299I152-P165 HydrophobicContact CD1-CB 4.25Å; I152-P165 HydrophobicContact CG1-CB 4.28Å; I152-T279 HydrophobicContact CD1-CG2 4.02Å; I152-T279 HydrophobicContact CG2-CG2 4.25Å; I152-S282 WeakPolarHBondContact CD1-OG 3.42Å; I152-I283 HydrophobicContact CD1-CD1 4.42Å; I152-I283 HydrophobicContact CD1-CG1 3.69Å; I152-I283 HydrophobicContact CG2-CD1 4.05Å; I152-I283 HydrophobicContact CG2-CG1 4.22Å; I152-N297 PolarHBondContact N-O 3.14Å; I152-T298 HydrophobicContact CG2-CG2 4.13Å; I152-T298 CarbonylContact O-C 3.52Å; I152-T298 WeakPolarHBondContact O-CA 3.35Å; I152-V299 PolarHBondContact O-N 3.38Å
153V98.8Very high97.4Very high0 Ų021.1 Ų21.10%014%0.138CC..EExtended strand (participates in β ladder)trans-106.7124.6177.7-178.60000109.4A139 L143 D155 T163 V164 I166 V299A139-V153 HydrophobicContact CB-CB 4.04Å; A139-V153 HydrophobicContact CB-CG1 4.11Å; A139-V153 WeakPolarHBondContact O-CG2 3.24Å; L143-V153 HydrophobicContact CB-CG2 3.9Å; L143-V153 HydrophobicContact CD1-CG2 4.11Å; V153-D155 HydrophobicContact CG1-CB 4.12Å; V153-T163 CarbonylContact O-C 3.6Å; V153-T163 VanDerWaalsContact O-CA 3.32Å; V153-T163 WeakPolarHBondContact O-CA 3.36Å; V153-V164 PolarHBondContact N-O 2.94Å; V153-V164 PolarHBondContact O-N 3.46Å; V153-I166 HydrophobicContact CG2-CD1 3.91Å; V153-V299 CarbonylContact C-O 3.29Å; V153-V299 WeakPolarHBondContact CA-O 3.43Å; V153-V299 HydrophobicContact CG2-CB 4.24Å
154L98.8Very high97.4Very high1 Ų121.1 Ų21.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-92100161.4173.763.3000107.2T161 H162 T163 V275 V299 L300 S301 M314L154-T161 HydrophobicContact CD1-CG2 3.53Å; L154-H162 WeakPolarHBondContact CA-O 3.47Å; L154-T163 HydrophobicContact CD1-CG2 3.78Å; L154-V275 HydrophobicContact CD1-CB 4.12Å; L154-V275 HydrophobicContact CD1-CG1 4.27Å; L154-V275 HydrophobicContact CD2-CB 3.93Å; L154-V275 HydrophobicContact CD2-CG2 4.23Å; L154-V299 PolarHBondContact N-O 3.4Å; L154-L300 HydrophobicContact CB-CD2 3.98Å; L154-L300 HydrophobicContact CD2-CD2 3.94Å; L154-L300 HydrophobicContact CG-CD2 4.38Å; L154-S301 PolarHBondContact O-N 2.98Å; L154-M314 HydrophobicContact CD2-CE 3.57Å; L154-M314 HydrophobicContact CD2-SD 4.07Å
155D98.3Very high97.5Very high11 Ų1118.3 Ų18.36%0.05913%0.127CC..EExtended strand (participates in β ladder)trans-101.1113.3177.9-169.932.4000109.7V153 T161 H162 S301V153-D155 HydrophobicContact CG1-CB 4.12Å; D155-T161 CarbonylContact O-C 3.58Å; D155-T161 VanDerWaalsContact O-CA 3.29Å; D155-T161 WeakPolarHBondContact O-CA 3.49Å; D155-H162 PolarHBondContact N-O 3.02Å; D155-H162 PolarHBondContact O-N 3.19Å; D155-S301 WeakPolarHBondContact CA-O 3.43Å; D155-S301 VanDerWaalsContact OD1-C 3.31Å; D155-S301 VanDerWaalsContact OD1-CB 3.27Å; D155-S301 WeakPolarHBondContact OD1-CB 3.31Å; D155-S301 PolarHBondContact OD1-OG 2.97Å
156S98.4Very high97.6Very high3 Ų317.1 Ų17.12%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-125.4103.8-178.3-169.30000110.4T161 S301 G302 G303 S304S156-T161 WeakPolarHBondContact CB-OG1 3.32Å; S156-T161 PolarHBondContact OG-OG1 2.83Å; S156-S301 PolarHBondContact N-O 3.39Å; S156-G302 CarbonylContact O-C 3.53Å; S156-G302 WeakPolarHBondContact O-CA 3.25Å; S156-G303 PolarHBondContact O-N 3.46Å; S156-S304 WeakPolarHBondContact O-CB 3.47Å; S156-S304 PolarHBondContact O-N 2.91Å; S156-S304 VanDerWaalsContact OG-CB 3.24Å; S156-S304 WeakPolarHBondContact OG-CB 3.42Å
157G97.2Very high97.7Very high24 Ų2419.7 Ų19.725%0.24712%0.124CC..  trans-93.1-151.6-176.700000113.5V160 A182 G183 S304G157-V160 PolarHBondContact N-O 2.78Å; G157-A182 WeakPolarHBondContact O-CB 3.44Å; G157-G183 PolarHBondContact O-N 3.42Å; G157-G183 VanDerWaalsContact O-N 3.08Å; G157-S304 PolarHBondContact O-OG 2.9Å
158D96.6Very high97.7Very high38 Ų3821.9 Ų21.920%0.20311%0.114CC..SBendtrans-81.2-39.7170.1-177.463000111.8G16 A182 G183 R184G16-D158 WeakPolarHBondContact CA-OD2 3.48Å; D158-A182 VanDerWaalsContact O-CB 3.3Å; D158-A182 WeakPolarHBondContact O-CB 3.42Å; D158-G183 PolarHBondContact O-N 2.94Å; D158-G183 VanDerWaalsContact O-N 3.12Å; D158-R184 VanDerWaalsContact O-CB 3.32Å; D158-R184 WeakPolarHBondContact O-CB 3.39Å; D158-R184 PolarHBondContact O-N 3.05Å; D158-R184 PolarHBondContact OD1-N 3.02Å; D158-R184 IonicContact OD2-CZ 3.62Å; D158-R184 IonicContact OD2-NE 3.17Å; D158-R184 PolarHBondContact OD2-NE 3.47Å; D158-R184 IonicContact OD2-NH2 3.4Å; D158-R184 PolarHBondContact OD2-NH2 2.91Å
159G96Very high97.6Very high4 Ų419.5 Ų19.54%0.04111%0.109CC..SBendtrans-100.6-22-17100000115.5H74 A182H74-G159 WeakPolarHBondContact CA-O 3.28Å; H74-G159 PolarHBondContact CD2-O 2.81Å; G159-A182 VanDerWaalsContact C-CB 3.48Å
160V97.2Very high97.5Very high10 Ų1024.1 Ų24.16%0.06112%0.119CC..  trans-161.6155.2-173.360.50000111.3H74 G157 H162 R178H74-V160 HydrophobicContact CB-CB 4.26Å; G157-V160 PolarHBondContact N-O 2.78Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.39Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.3Å; V160-R178 HydrophobicContact CG2-CG 3.85Å
161T98.3Very high97.4Very high3 Ų323.9 Ų23.92%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-116.6136170.9-60.90000110.9L154 D155 S156 L179 L181 V275L154-T161 HydrophobicContact CD1-CG2 3.53Å; D155-T161 CarbonylContact O-C 3.58Å; D155-T161 VanDerWaalsContact O-CA 3.29Å; D155-T161 WeakPolarHBondContact O-CA 3.49Å; S156-T161 WeakPolarHBondContact CB-OG1 3.32Å; S156-T161 PolarHBondContact OG-OG1 2.83Å; T161-L179 PolarHBondContact N-O 3.27Å; T161-L179 PolarHBondContact O-N 2.9Å; T161-L181 WeakPolarHBondContact CB-O 3.37Å; T161-L181 PolarHBondContact OG1-O 3.48Å; T161-V275 HydrophobicContact CG2-CG1 4.01Å
162H97.9Very high97.4Very high3 Ų325.5 Ų25.51%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-129.2148176.9-60.7104.1000111.5P110 L154 D155 V160 V164 L177P110-H162 HydrophobicContact CG-CB 3.86Å; L154-H162 WeakPolarHBondContact CA-O 3.47Å; D155-H162 PolarHBondContact N-O 3.02Å; D155-H162 PolarHBondContact O-N 3.19Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.39Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.3Å; H162-V164 HydrophobicContact CB-CG2 4.04Å; H162-L177 WeakPolarHBondContact CA-O 3.36Å
163T98.6Very high97.2Very high1 Ų129.8 Ų29.81%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-113.8120.7163.957.30000107.9V153 L154 I176 L177 T278 T279 S282V153-T163 CarbonylContact O-C 3.6Å; V153-T163 VanDerWaalsContact O-CA 3.32Å; V153-T163 WeakPolarHBondContact O-CA 3.36Å; L154-T163 HydrophobicContact CD1-CG2 3.78Å; T163-I176 WeakPolarHBondContact O-CA 3.41Å; T163-L177 PolarHBondContact N-O 3.06Å; T163-L177 PolarHBondContact O-N 2.9Å; T163-L177 VanDerWaalsContact O-N 3.12Å; T163-L177 WeakPolarHBondContact OG1-CB 3.32Å; T163-L177 PolarHBondContact OG1-O 2.9Å; T163-T278 HydrophobicContact CG2-CG2 3.86Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.39Å; T163-S282 WeakPolarHBondContact OG1-CB 3.44Å
164V98.6Very high97.1Very high0 Ų035.3 Ų35.30%018%0.181CC..EExtended strand (participates in β ladder)trans-127.2102.3-173.1-172.50000108.7P110 A139 V153 H162 I166 A171 I176P110-V164 HydrophobicContact CB-CG2 4.14Å; P110-V164 HydrophobicContact CG-CG2 3.8Å; A139-V164 HydrophobicContact CB-CB 3.53Å; A139-V164 HydrophobicContact CB-CG1 3.93Å; A139-V164 HydrophobicContact CB-CG2 3.48Å; A139-V164 VanDerWaalsContact CB-CG2 3.48Å; V153-V164 PolarHBondContact N-O 2.94Å; V153-V164 PolarHBondContact O-N 3.46Å; H162-V164 HydrophobicContact CB-CG2 4.04Å; V164-I166 HydrophobicContact CG1-CD1 4.32Å; V164-I166 HydrophobicContact CG1-CG1 4.01Å; V164-A171 HydrophobicContact CG1-CB 3.86Å; V164-I176 HydrophobicContact CG1-CD1 4.11Å; V164-I176 HydrophobicContact CG1-CG1 4.12Å; V164-I176 HydrophobicContact CG2-CG2 4.3Å
165P98.7Very high97.1Very high0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-77.2134.2172.427.6-24.7000109.2I152 L172 A175 S282 L294I152-P165 HydrophobicContact CD1-CB 4.25Å; I152-P165 HydrophobicContact CG1-CB 4.28Å; P165-L172 HydrophobicContact CB-CD1 4.29Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 2.67Å; P165-A175 HydrophobicContact CG-CB 3.51Å; P165-S282 VanDerWaalsContact CD-OG 3.32Å; P165-S282 WeakPolarHBondContact CD-OG 3.31Å; P165-S282 WeakPolarHBondContact CG-OG 3.29Å; P165-L294 HydrophobicContact CB-CD1 4.05Å; P165-L294 HydrophobicContact CB-CD2 4.29Å
166I98.6Very high97.1Very high0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-131.7132.4-173.4-60.3152.6000107.5V140 L143 T150 G151 V153 V164 Y170 A171V140-I166 HydrophobicContact CB-CD1 4.46Å; V140-I166 HydrophobicContact CG2-CD1 4.02Å; V140-I166 HydrophobicContact CG2-CG1 4.13Å; L143-I166 HydrophobicContact CB-CD1 3.96Å; L143-I166 HydrophobicContact CD2-CB 3.71Å; L143-I166 HydrophobicContact CD2-CD1 3.81Å; L143-I166 HydrophobicContact CD2-CG1 4.39Å; L143-I166 HydrophobicContact CD2-CG2 3.59Å; L143-I166 HydrophobicContact CG-CD1 4.45Å; T150-I166 WeakPolarHBondContact CA-O 3.34Å; G151-I166 PolarHBondContact N-O 3.43Å; G151-I166 PolarHBondContact O-N 3.31Å; V153-I166 HydrophobicContact CG2-CD1 3.91Å; V164-I166 HydrophobicContact CG1-CD1 4.32Å; V164-I166 HydrophobicContact CG1-CG1 4.01Å; I166-Y170 CarbonylContact C-O 3.55Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.31Å; I166-A171 HydrophobicContact CG1-CB 4.33Å
167Y97.7Very high97.1Very high78 Ų7836.9 Ų36.931%0.30619%0.189SC..EExtended strand (participates in β ladder)trans-129.5124.2178.4-176.8-96000109.1T150 G169 Y170 I290T150-Y167 HydrophobicContact CG2-CD2 3.71Å; T150-Y167 HydrophobicContact CG2-CE2 4.27Å; Y167-G169 PolarHBondContact O-N 3.43Å; Y167-G169 VanDerWaalsContact O-N 3.11Å; Y167-Y170 PolarHBondContact N-O 3Å; Y167-Y170 PolarHBondContact O-N 3.39Å; Y167-I290 HydrophobicContact CD2-CB 3.98Å; Y167-I290 HydrophobicContact CD2-CD1 4.32Å; Y167-I290 HydrophobicContact CD2-CG2 3.55Å; Y167-I290 HydrophobicContact CE2-CB 4.21Å; Y167-I290 HydrophobicContact CE2-CG2 3.44Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.44Å; Y167-I290 HydrophobicContact CG-CD1 4.49Å; Y167-I290 HydrophobicContact CG-CG2 4.32Å
168E95.4Very high97Very high117 Ų11740.8 Ų40.855%0.54720%0.197SC..THydrogen-bonded Turntrans50.836.5-179.6-66.2-180-172.900113.7T149 T150 Y170T149-E168 PolarHBondContact O-N 2.82Å; T150-E168 PolarHBondContact OG1-N 3.11Å; E168-Y170 VanDerWaalsContact C-N 3.35Å; E168-Y170 WeakPolarHBondContact O-CD2 3.49Å
169G93.1Very high96.9Very high12 Ų1239.4 Ų39.412%0.12419%0.189CC..THydrogen-bonded Turntrans88.6-8.1-179.800000114.9T149 Y167T149-G169 PolarHBondContact O-N 2.88Å; Y167-G169 PolarHBondContact O-N 3.43Å; Y167-G169 VanDerWaalsContact O-N 3.11Å
170Y93.9Very high96.9Very high177 Ų17742.6 Ų42.669%0.69421%0.205SC*.EExtended strand (participates in β ladder)trans-100.4123.1-179.7-61.5-85000111.4I166 Y167 E168I166-Y170 CarbonylContact C-O 3.55Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.31Å; Y167-Y170 PolarHBondContact N-O 3Å; Y167-Y170 PolarHBondContact O-N 3.39Å; E168-Y170 VanDerWaalsContact C-N 3.35Å; E168-Y170 WeakPolarHBondContact O-CD2 3.49Å
171A96.7Very high96.9Very high20 Ų2042.1 Ų42.117%0.16520%0.202CC..EExtended strand (participates in β ladder)trans-66.5138.3170.100000110.1I137 V140 V164 I166 P173I137-A171 HydrophobicContact CD1-CB 4.07Å; V140-A171 HydrophobicContact CG2-CB 4.03Å; V164-A171 HydrophobicContact CG1-CB 3.86Å; I166-A171 HydrophobicContact CG1-CB 4.33Å; A171-P173 WeakPolarHBondContact O-CD 3.36Å
172L97.2Very high96.8Very high33 Ų3342 Ų4217%0.17320%0.201CC..  trans-94.696.9-178.6-58.2176.2000110.3P165 H174 A175 I176 I290P165-L172 HydrophobicContact CB-CD1 4.29Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 2.67Å; L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.88Å; L172-A175 HydrophobicContact CB-CB 4.47Å; L172-A175 PolarHBondContact O-N 3.06Å; L172-I176 PolarHBondContact O-N 3.02Å; L172-I290 HydrophobicContact CD1-CD1 3.48Å; L172-I290 VanDerWaalsContact CD1-CD1 3.48Å
173P96Very high96.8Very high90 Ų9041.9 Ų41.958%0.58420%0.201SC*.G310 helixtrans-65.5-32.3-162.9-23.136.8000114A171 A175 I176A171-P173 WeakPolarHBondContact O-CD 3.36Å; P173-A175 PolarHBondContact O-N 3.42Å; P173-I176 PolarHBondContact O-N 3.18Å
174H96.5Very high96.8Very high116 Ų11644.1 Ų44.154%0.53721%0.209SC..G310 helixtrans-67.3-19.6179.464.5-87000113.5L172L172-H174 VanDerWaalsContact C-N 3.31Å; L172-H174 PolarHBondContact O-N 2.88Å
175A98.2Very high96.7Very high0 Ų046 Ų460%022%0.22CC..G310 helixtrans-110.42.7-177.200000113.1P165 L172 P173 L177 S282 K285 C286P165-A175 HydrophobicContact CG-CB 3.51Å; L172-A175 HydrophobicContact CB-CB 4.47Å; L172-A175 PolarHBondContact O-N 3.06Å; P173-A175 PolarHBondContact O-N 3.42Å; A175-L177 PolarHBondContact O-N 3.31Å; A175-S282 WeakPolarHBondContact O-CB 3.3Å; A175-S282 PolarHBondContact O-OG 3.14Å; A175-K285 HydrophobicContact CB-CB 3.72Å; A175-C286 VanDerWaalsContact CB-SG 3.56Å
176I98.4Very high96.7Very high16 Ų1646 Ų468%0.08222%0.22CC..  trans-70.7126.1172-61.4177.8000109P110 L111 T163 V164 L172 P173P110-I176 HydrophobicContact CB-CD1 3.9Å; P110-I176 HydrophobicContact CB-CG2 4.04Å; P110-I176 HydrophobicContact CG-CG2 4.17Å; L111-I176 HydrophobicContact CD1-CB 4.46Å; L111-I176 HydrophobicContact CD1-CG2 4.02Å; L111-I176 HydrophobicContact CD2-CD1 4.34Å; L111-I176 HydrophobicContact CG-CG2 4.19Å; T163-I176 WeakPolarHBondContact O-CA 3.41Å; V164-I176 HydrophobicContact CG1-CD1 4.11Å; V164-I176 HydrophobicContact CG1-CG1 4.12Å; V164-I176 HydrophobicContact CG2-CG2 4.3Å; L172-I176 PolarHBondContact O-N 3.02Å; P173-I176 PolarHBondContact O-N 3.18Å
177L98.1Very high96.7Very high32 Ų3246 Ų4617%0.16822%0.22CC..EExtended strand (participates in β ladder)trans-115.2138.8170.5-50.7-179.4000110.2H162 T163 A175 T278 N281 K285H162-L177 WeakPolarHBondContact CA-O 3.36Å; T163-L177 PolarHBondContact N-O 3.06Å; T163-L177 PolarHBondContact O-N 2.9Å; T163-L177 VanDerWaalsContact O-N 3.12Å; T163-L177 WeakPolarHBondContact OG1-CB 3.32Å; T163-L177 PolarHBondContact OG1-O 2.9Å; A175-L177 PolarHBondContact O-N 3.31Å; L177-T278 HydrophobicContact CB-CG2 3.71Å; L177-T278 HydrophobicContact CD1-CG2 3.95Å; L177-T278 WeakPolarHBondContact CD1-O 3.21Å; L177-T278 HydrophobicContact CG-CG2 4.47Å; L177-N281 HydrophobicContact CD1-CB 3.78Å; L177-K285 HydrophobicContact CD2-CD 4.02Å
178R95.6Very high96.7Very high107 Ų10745.6 Ų45.640%0.40422%0.223SC..EExtended strand (participates in β ladder)trans-112.3139.5178174.4173.6162.5175.4-7.1109.4H74 V160 D180H74-R178 VanDerWaalsContact CB-NH2 3.28Å; V160-R178 HydrophobicContact CG2-CG 3.85Å; R178-D180 IonicContact CZ-OD1 3.17Å; R178-D180 IonicContact NE-OD1 3.71Å; R178-D180 PolarHBondContact NE-OD1 3.35Å; R178-D180 IonicContact NE-OD2 2.69Å; R178-D180 IonicContact NH2-OD1 2.87Å; R178-D180 PolarHBondContact NH2-OD1 2.93Å; R178-D180 IonicContact NH2-OD2 2.75Å; R178-D180 PolarHBondContact NH2-OD2 3.16Å
179L95.4Very high96.8Very high9 Ų940.6 Ų40.65%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-127.6117.7172.3-178.971.1000108.1T161 L181 M270 S272 V275T161-L179 PolarHBondContact N-O 3.27Å; T161-L179 PolarHBondContact O-N 2.9Å; L179-L181 HydrophobicContact CD1-CB 4.4Å; L179-L181 HydrophobicContact CD2-CB 3.82Å; L179-L181 HydrophobicContact CD2-CD2 4.12Å; L179-L181 HydrophobicContact CD2-CG 4.39Å; L179-L181 HydrophobicContact CG-CB 3.72Å; L179-L181 PolarHBondContact O-N 3.11Å; L179-M270 HydrophobicContact CD1-CE 4.48Å; L179-S272 VanDerWaalsContact CD1-CB 3.47Å; L179-V275 HydrophobicContact CD2-CG1 4.21Å
180D94.2Very high97.1Very high70 Ų7040 Ų4037%0.37419%0.193SC..SBendtrans-77.555.1174.7-70.8-22000110.7R178 M270R178-D180 IonicContact CZ-OD1 3.17Å; R178-D180 IonicContact NE-OD1 3.71Å; R178-D180 PolarHBondContact NE-OD1 3.35Å; R178-D180 IonicContact NE-OD2 2.69Å; R178-D180 IonicContact NH2-OD1 2.87Å; R178-D180 PolarHBondContact NH2-OD1 2.93Å; R178-D180 IonicContact NH2-OD2 2.75Å; R178-D180 PolarHBondContact NH2-OD2 3.16Å; D180-M270 VanDerWaalsContact O-CE 3.27Å; D180-M270 WeakPolarHBondContact O-CE 3.28Å
181L97.1Very high97.3Very high0 Ų033 Ų330%017%0.167CC..  trans-141.5120.717617255.8000108.2T161 L179 D185 L186 A261 L262 P265 L268 M270T161-L181 WeakPolarHBondContact CB-O 3.37Å; T161-L181 PolarHBondContact OG1-O 3.48Å; L179-L181 HydrophobicContact CD1-CB 4.4Å; L179-L181 HydrophobicContact CD2-CB 3.82Å; L179-L181 HydrophobicContact CD2-CD2 4.12Å; L179-L181 HydrophobicContact CD2-CG 4.39Å; L179-L181 HydrophobicContact CG-CB 3.72Å; L179-L181 PolarHBondContact O-N 3.11Å; L181-D185 HydrophobicContact CD1-CB 3.73Å; L181-L186 HydrophobicContact CD1-CD2 4.29Å; L181-A261 WeakPolarHBondContact CD2-O 3.3Å; L181-L262 HydrophobicContact CD2-CD2 4.39Å; L181-L262 HydrophobicContact CG-CD2 4.19Å; L181-P265 HydrophobicContact CD2-CB 4.06Å; L181-P265 HydrophobicContact CD2-CG 3.96Å; L181-L268 HydrophobicContact CD1-CD1 3.24Å; L181-L268 HydrophobicContact CD2-CD1 4.37Å; L181-L268 HydrophobicContact CG-CD1 4.43Å; L181-M270 HydrophobicContact CB-CE 4.07Å; L181-M270 HydrophobicContact CB-SD 4.04Å; L181-M270 HydrophobicContact CD1-SD 4.33Å; L181-M270 HydrophobicContact CD2-SD 4.36Å; L181-M270 HydrophobicContact CG-SD 4.47Å
182A97.9Very high97.3Very high0 Ų037.9 Ų37.90%018%0.184CC..SBendtrans-157.9-162.1-178.400000112.3G157 D158 G159 R184 D185 L186G157-A182 WeakPolarHBondContact O-CB 3.44Å; D158-A182 VanDerWaalsContact O-CB 3.3Å; D158-A182 WeakPolarHBondContact O-CB 3.42Å; G159-A182 VanDerWaalsContact C-CB 3.48Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 3.45Å; A182-D185 PolarHBondContact N-OD2 2.96Å; A182-D185 PolarHBondContact O-N 3.35Å; A182-L186 WeakPolarHBondContact O-CG 3.3Å; A182-L186 PolarHBondContact O-N 2.65Å
183G97.9Very high97.3Very high1 Ų136.3 Ų36.31%0.0118%0.176CC..Hα-helixtrans-53-39.7-174.100000113.8G157 D158 L186 T187 K214 S304G157-G183 PolarHBondContact O-N 3.42Å; G157-G183 VanDerWaalsContact O-N 3.08Å; D158-G183 PolarHBondContact O-N 2.94Å; D158-G183 VanDerWaalsContact O-N 3.12Å; G183-L186 PolarHBondContact O-N 2.8Å; G183-T187 PolarHBondContact O-N 3.15Å; G183-T187 PolarHBondContact O-OG1 3.33Å; G183-K214 PolarHBondContact O-NZ 3.02Å; G183-S304 VanDerWaalsContact CA-OG 3.31Å; G183-S304 WeakPolarHBondContact CA-OG 3.29Å; G183-S304 PolarHBondContact N-OG 3.21Å; G183-S304 VanDerWaalsContact N-OG 3.15Å
184R96.9Very high97.4Very high48 Ų4832 Ų3218%0.18115%0.148CC..Hα-helixtrans-63-49.4-178.4-168.6170.3-64.5-179.33.8111.4S15 D158 A182 L186 T187 D188 R207S15-R184 PolarHBondContact O-NH2 3.19Å; D158-R184 VanDerWaalsContact O-CB 3.32Å; D158-R184 WeakPolarHBondContact O-CB 3.39Å; D158-R184 PolarHBondContact O-N 3.05Å; D158-R184 PolarHBondContact OD1-N 3.02Å; D158-R184 IonicContact OD2-CZ 3.62Å; D158-R184 IonicContact OD2-NE 3.17Å; D158-R184 PolarHBondContact OD2-NE 3.47Å; D158-R184 IonicContact OD2-NH2 3.4Å; D158-R184 PolarHBondContact OD2-NH2 2.91Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 3.45Å; R184-L186 VanDerWaalsContact C-N 3.32Å; R184-L186 PolarHBondContact O-N 2.72Å; R184-T187 WeakPolarHBondContact O-CB 3.44Å; R184-T187 PolarHBondContact O-N 3.08Å; R184-T187 VanDerWaalsContact O-N 3.15Å; R184-D188 PolarHBondContact O-N 2.65Å; R184-D188 VanDerWaalsContact O-N 3.12Å; R184-R207 PolarHBondContact O-NH2 3.15Å
185D97.9Very high97.5Very high41 Ų4129.6 Ų29.622%0.21914%0.142CC..Hα-helixtrans-65.2-38.4179.8-43.6-72.5000111.1L181 A182 T187 D188 Y189 L268L181-D185 HydrophobicContact CD1-CB 3.73Å; A182-D185 PolarHBondContact N-OD2 2.96Å; A182-D185 PolarHBondContact O-N 3.35Å; D185-T187 VanDerWaalsContact C-N 3.32Å; D185-T187 PolarHBondContact O-N 2.89Å; D185-D188 PolarHBondContact O-N 2.64Å; D185-Y189 WeakPolarHBondContact O-CB 3.37Å; D185-Y189 PolarHBondContact O-N 3.21Å; D185-L268 HydrophobicContact CB-CD1 4.4Å
186L98.5Very high97.3Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-64.9-35.4175-64.6-179.8000112.3L181 A182 G183 R184 L190 K214 C258 A261 L262 Y307L181-L186 HydrophobicContact CD1-CD2 4.29Å; A182-L186 WeakPolarHBondContact O-CG 3.3Å; A182-L186 PolarHBondContact O-N 2.65Å; G183-L186 PolarHBondContact O-N 2.8Å; R184-L186 VanDerWaalsContact C-N 3.32Å; R184-L186 PolarHBondContact O-N 2.72Å; L186-L190 WeakPolarHBondContact O-CB 3.43Å; L186-L190 PolarHBondContact O-N 3.14Å; L186-K214 HydrophobicContact CB-CD 3.95Å; L186-C258 WeakPolarHBondContact CD2-O 3.47Å; L186-C258 PolarHBondContact O-SG 2.77Å; L186-A261 HydrophobicContact CD2-CB 3.82Å; L186-L262 HydrophobicContact CD1-CD1 4Å; L186-L262 HydrophobicContact CD1-CD2 4.07Å; L186-L262 HydrophobicContact CD1-CG 3.89Å; L186-L262 HydrophobicContact CD2-CG 4.38Å; L186-Y307 HydrophobicContact CD1-CE2 3.9Å; L186-Y307 WeakPolarHBondContact CD1-OH 3.41Å
187T98.2Very high97.1Very high0 Ų038.3 Ų38.30%018%0.179CC..Hα-helixtrans-64.2-45.1172.9-610000110.6G183 R184 D185 Y189 L190 M191 R207 V210 R211 K214G183-T187 PolarHBondContact O-N 3.15Å; G183-T187 PolarHBondContact O-OG1 3.33Å; R184-T187 WeakPolarHBondContact O-CB 3.44Å; R184-T187 PolarHBondContact O-N 3.08Å; R184-T187 VanDerWaalsContact O-N 3.15Å; D185-T187 VanDerWaalsContact C-N 3.32Å; D185-T187 PolarHBondContact O-N 2.89Å; T187-Y189 VanDerWaalsContact C-N 3.33Å; T187-Y189 PolarHBondContact O-N 3Å; T187-L190 PolarHBondContact O-N 3.29Å; T187-M191 WeakPolarHBondContact O-CG 3.32Å; T187-M191 PolarHBondContact O-N 3.12Å; T187-R207 HydrophobicContact CG2-CG 3.97Å; T187-V210 HydrophobicContact CG2-CB 4.41Å; T187-V210 HydrophobicContact CG2-CG1 4.3Å; T187-R211 HydrophobicContact CG2-CB 4.01Å; T187-K214 PolarHBondContact OG1-NZ 3.31Å
188D97.5Very high97Very high69 Ų6939.8 Ų39.837%0.36920%0.201SC..Hα-helixtrans-67.5-36.6-179.7-62.7-29.6000111.5R184 D185 M191 K192 R207R184-D188 PolarHBondContact O-N 2.65Å; R184-D188 VanDerWaalsContact O-N 3.12Å; D185-D188 PolarHBondContact O-N 2.64Å; D188-M191 WeakPolarHBondContact O-CB 3.37Å; D188-M191 PolarHBondContact O-N 2.83Å; D188-K192 PolarHBondContact O-N 3.36Å; D188-K192 VanDerWaalsContact O-N 3.14Å; D188-R207 VanDerWaalsContact CG-NH2 3.29Å; D188-R207 IonicContact OD1-CZ 2.93Å; D188-R207 VanDerWaalsContact OD1-CZ 3.22Å; D188-R207 IonicContact OD1-NE 2.94Å; D188-R207 PolarHBondContact OD1-NE 2.79Å; D188-R207 IonicContact OD1-NH2 3.56Å; D188-R207 PolarHBondContact OD1-NH2 3.14Å; D188-R207 IonicContact OD2-NH2 2.9Å; D188-R207 PolarHBondContact OD2-NH2 3.12Å; D188-R207 VanDerWaalsContact OD2-NH2 3.16Å
189Y98.2Very high97Very high12 Ų1237.6 Ų37.65%0.04719%0.193CC..Hα-helixtrans-62.8-44.9171.6-175.1-142.7000112.1D185 T187 M191 K192 I193 R257 C258 A261 F267 L268D185-Y189 WeakPolarHBondContact O-CB 3.37Å; D185-Y189 PolarHBondContact O-N 3.21Å; T187-Y189 VanDerWaalsContact C-N 3.33Å; T187-Y189 PolarHBondContact O-N 3Å; Y189-M191 VanDerWaalsContact C-N 3.29Å; Y189-M191 PolarHBondContact O-N 3.34Å; Y189-K192 WeakPolarHBondContact O-CB 3.15Å; Y189-K192 PolarHBondContact O-N 2.97Å; Y189-K192 VanDerWaalsContact O-N 3.09Å; Y189-I193 HydrophobicContact CD2-CG2 3.98Å; Y189-I193 HydrophobicContact CE1-CD1 4.39Å; Y189-I193 HydrophobicContact CE2-CG2 3.39Å; Y189-I193 PolarHBondContact O-N 3.4Å; Y189-R257 WeakPolarHBondContact CE1-O 3.42Å; Y189-C258 HydrophobicContact CD1-CB 4.49Å; Y189-A261 HydrophobicContact CD1-CB 3.96Å; Y189-A261 HydrophobicContact CE1-CB 4.03Å; Y189-F267 HydrophobicContact CE1-CB 4.31Å; Y189-F267 HydrophobicContact CE1-CD2 4.45Å; Y189-L268 HydrophobicContact CD1-CD2 4.4Å; Y189-L268 HydrophobicContact CD2-CD2 3.86Å; Y189-L268 HydrophobicContact CG-CD2 3.67Å; Y189-L268 HydrophobicContact CG-CG 4.35Å
190L98.5Very high96.9Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-61.3-40.6177.7-174.659.8000111L186 T187 K192 I193 L194 V210 I213 K214 E254 C258L186-L190 WeakPolarHBondContact O-CB 3.43Å; L186-L190 PolarHBondContact O-N 3.14Å; T187-L190 PolarHBondContact O-N 3.29Å; L190-K192 VanDerWaalsContact C-N 3.27Å; L190-K192 PolarHBondContact O-N 2.64Å; L190-I193 HydrophobicContact CD1-CD1 3.97Å; L190-I193 HydrophobicContact CD1-CG1 4Å; L190-I193 WeakPolarHBondContact O-CG1 3.47Å; L190-I193 PolarHBondContact O-N 3.44Å; L190-L194 HydrophobicContact CD1-CD1 4.19Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 4Å; L190-L194 HydrophobicContact CD2-CD1 4.45Å; L190-L194 HydrophobicContact CG-CD1 3.83Å; L190-L194 HydrophobicContact CG-CG 4.13Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.18Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.38Å; L190-V210 HydrophobicContact CB-CG1 3.76Å; L190-V210 HydrophobicContact CD2-CG1 3.72Å; L190-V210 HydrophobicContact CG-CG1 3.65Å; L190-I213 HydrophobicContact CD2-CB 4.46Å; L190-I213 HydrophobicContact CD2-CG2 4.08Å; L190-K214 HydrophobicContact CD2-CB 3.59Å; L190-K214 HydrophobicContact CD2-CG 4.21Å; L190-E254 HydrophobicContact CD1-CB 3.89Å; L190-C258 HydrophobicContact CB-CB 4.32Å; L190-C258 HydrophobicContact CD1-CB 4Å
191M98Very high97Very high28 Ų2838.1 Ų38.114%0.13820%0.201CC..Hα-helixtrans-56.4-44173.7-70.2176.668.300111.4T187 D188 Y189 T195 F201 R207 V210T187-M191 WeakPolarHBondContact O-CG 3.32Å; T187-M191 PolarHBondContact O-N 3.12Å; D188-M191 WeakPolarHBondContact O-CB 3.37Å; D188-M191 PolarHBondContact O-N 2.83Å; Y189-M191 VanDerWaalsContact C-N 3.29Å; Y189-M191 PolarHBondContact O-N 3.34Å; M191-T195 PolarHBondContact O-N 3.29Å; M191-T195 PolarHBondContact O-OG1 2.74Å; M191-F201 HydrophobicContact CE-CB 4.07Å; M191-F201 WeakPolarHBondContact CE-O 3.32Å; M191-R207 HydrophobicContact CE-CB 4.22Å; M191-R207 HydrophobicContact SD-CB 3.81Å; M191-R207 HydrophobicContact SD-CG 3.61Å; M191-V210 HydrophobicContact CB-CG1 4.45Å; M191-V210 HydrophobicContact CG-CB 3.75Å; M191-V210 HydrophobicContact CG-CG1 3.62Å; M191-V210 HydrophobicContact CG-CG2 3.75Å
192K97.4Very high96.8Very high124 Ų12443.4 Ų43.454%0.53923%0.234SC..Hα-helixtrans-62.2-51.9178.4-178.6-175172.7-1730111.9D188 Y189 L190 L194 T195 E196D188-K192 PolarHBondContact O-N 3.36Å; D188-K192 VanDerWaalsContact O-N 3.14Å; Y189-K192 WeakPolarHBondContact O-CB 3.15Å; Y189-K192 PolarHBondContact O-N 2.97Å; Y189-K192 VanDerWaalsContact O-N 3.09Å; L190-K192 VanDerWaalsContact C-N 3.27Å; L190-K192 PolarHBondContact O-N 2.64Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 2.86Å; K192-T195 WeakPolarHBondContact O-CA 3.29Å; K192-T195 VanDerWaalsContact O-CB 3.3Å; K192-T195 WeakPolarHBondContact O-CB 3.17Å; K192-T195 PolarHBondContact O-N 2.81Å; K192-T195 VanDerWaalsContact O-N 3.09Å; K192-E196 PolarHBondContact O-N 2.7Å
193I97.6Very high96.5Very high0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-73.5-24.8-176.864.9-177.5000112.9Y189 L190 T195 E196 R197 E254 R257 C258Y189-I193 HydrophobicContact CD2-CG2 3.98Å; Y189-I193 HydrophobicContact CE1-CD1 4.39Å; Y189-I193 HydrophobicContact CE2-CG2 3.39Å; Y189-I193 PolarHBondContact O-N 3.4Å; L190-I193 HydrophobicContact CD1-CD1 3.97Å; L190-I193 HydrophobicContact CD1-CG1 4Å; L190-I193 WeakPolarHBondContact O-CG1 3.47Å; L190-I193 PolarHBondContact O-N 3.44Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-E196 WeakPolarHBondContact O-CB 3.17Å; I193-E196 PolarHBondContact O-N 3.41Å; I193-R197 PolarHBondContact O-N 2.89Å; I193-E254 HydrophobicContact CB-CG 4.22Å; I193-E254 HydrophobicContact CD1-CB 3.7Å; I193-E254 HydrophobicContact CD1-CG 4.02Å; I193-E254 HydrophobicContact CG1-CB 3.92Å; I193-E254 HydrophobicContact CG1-CG 3.82Å; I193-R257 HydrophobicContact CD1-CB 4.23Å; I193-C258 HydrophobicContact CD1-CB 4.09Å
194L98.1Very high96Very high0 Ų050.3 Ų50.30%028%0.275CS..Hα-helixtrans-67.3-36.5167.4-72175.1000111.5L190 K192 E196 R197 G198 Y199 F201 V210 I213 I251 E254L190-L194 HydrophobicContact CD1-CD1 4.19Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 4Å; L190-L194 HydrophobicContact CD2-CD1 4.45Å; L190-L194 HydrophobicContact CG-CD1 3.83Å; L190-L194 HydrophobicContact CG-CG 4.13Å; L190-L194 VanDerWaalsContact O-CB 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.18Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.38Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 2.86Å; L194-E196 VanDerWaalsContact C-N 3.35Å; L194-R197 WeakPolarHBondContact O-CB 3.34Å; L194-R197 PolarHBondContact O-N 2.89Å; L194-G198 PolarHBondContact O-N 3.04Å; L194-Y199 CarbonylContact C-O 3.55Å; L194-Y199 PolarHBondContact O-N 3.29Å; L194-F201 HydrophobicContact CB-CD2 4.33Å; L194-F201 HydrophobicContact CB-CE2 4.18Å; L194-F201 HydrophobicContact CD1-CD2 4.19Å; L194-F201 HydrophobicContact CD1-CE2 3.8Å; L194-V210 HydrophobicContact CD1-CG1 3.97Å; L194-V210 HydrophobicContact CD1-CG2 4.07Å; L194-I213 HydrophobicContact CD1-CD1 4.34Å; L194-I251 HydrophobicContact CD2-CD1 3.77Å; L194-I251 HydrophobicContact CD2-CG2 4.24Å; L194-E254 HydrophobicContact CD2-CB 4.41Å; L194-E254 HydrophobicContact CD2-CG 4.31Å
195T97.3Very high95.7Very high65 Ų6550.7 Ų50.740%0.39929%0.289SS..Hα-helixtrans-65.5-39.1174.6-55.60000111.2M191 K192 I193 R197 G198 Y199M191-T195 PolarHBondContact O-N 3.29Å; M191-T195 PolarHBondContact O-OG1 2.74Å; K192-T195 WeakPolarHBondContact O-CA 3.29Å; K192-T195 VanDerWaalsContact O-CB 3.3Å; K192-T195 WeakPolarHBondContact O-CB 3.17Å; K192-T195 PolarHBondContact O-N 2.81Å; K192-T195 VanDerWaalsContact O-N 3.09Å; I193-T195 VanDerWaalsContact C-N 3.33Å; T195-R197 PolarHBondContact O-N 2.85Å; T195-G198 WeakPolarHBondContact O-CA 3.34Å; T195-G198 PolarHBondContact O-N 3.12Å; T195-Y199 VanDerWaalsContact CA-O 3.3Å; T195-Y199 WeakPolarHBondContact CA-O 3.45Å; T195-Y199 PolarHBondContact N-O 3.28Å
196E95.1Very high95.5Very high116 Ų11651.6 Ų51.654%0.54229%0.292SS..Hα-helixtrans-57.9-35.1172.8-67.1168.7-169.800112.2K192 I193 L194 G198 R257K192-E196 PolarHBondContact O-N 2.7Å; I193-E196 WeakPolarHBondContact O-CB 3.17Å; I193-E196 PolarHBondContact O-N 3.41Å; L194-E196 VanDerWaalsContact C-N 3.35Å; E196-G198 VanDerWaalsContact C-N 3.28Å; E196-R257 IonicContact OE2-NH1 2.72Å; E196-R257 IonicContact OE2-NH2 3.45Å; E196-R257 PolarHBondContact OE2-NH2 2.84Å
197R93Very high95.3Very high83 Ų8353.3 Ų53.331%0.31330%0.298SS..Hα-helixtrans-75-15.6174.5-164.1-178.6-176.2982.8113.4I193 L194 T195 Y199 E238 T250 E254I193-R197 PolarHBondContact O-N 2.89Å; L194-R197 WeakPolarHBondContact O-CB 3.34Å; L194-R197 PolarHBondContact O-N 2.89Å; T195-R197 PolarHBondContact O-N 2.85Å; R197-Y199 HydrophobicContact CG-CD2 4.47Å; R197-Y199 HydrophobicContact CG-CE2 4.35Å; R197-E238 IonicContact CZ-OE1 2.94Å; R197-E238 IonicContact NH2-OE1 3.13Å; R197-E238 PolarHBondContact NH2-OE1 3.27Å; R197-T250 PolarHBondContact NE-O 2.86Å; R197-E254 WeakPolarHBondContact CD-OE1 3.06Å; R197-E254 IonicContact CZ-OE2 3.64Å; R197-E254 IonicContact NH1-OE1 3.18Å; R197-E254 PolarHBondContact NH1-OE1 2.67Å; R197-E254 VanDerWaalsContact NH1-OE1 3.12Å; R197-E254 IonicContact NH1-OE2 2.9Å; R197-E254 PolarHBondContact NH1-OE2 2.84Å
198G95.9Very high95.2Very high62 Ų6254.6 Ų54.664%0.63930%0.304SS*.THydrogen-bonded Turntrans107.14.6-178.900000115.1L194 T195 E196L194-G198 PolarHBondContact O-N 3.04Å; T195-G198 WeakPolarHBondContact O-CA 3.34Å; T195-G198 PolarHBondContact O-N 3.12Å; E196-G198 VanDerWaalsContact C-N 3.28Å
199Y95.7Very high95.1Very high62 Ų6252.8 Ų52.824%0.24329%0.294CS..  trans-100.9101.5173.8-56.7-55.7000110.5L194 T195 R197 I249 T250L194-Y199 CarbonylContact C-O 3.55Å; L194-Y199 PolarHBondContact O-N 3.29Å; T195-Y199 VanDerWaalsContact CA-O 3.3Å; T195-Y199 WeakPolarHBondContact CA-O 3.45Å; T195-Y199 PolarHBondContact N-O 3.28Å; R197-Y199 HydrophobicContact CG-CD2 4.47Å; R197-Y199 HydrophobicContact CG-CE2 4.35Å; Y199-I249 HydrophobicContact CD1-CB 4.28Å; Y199-I249 HydrophobicContact CD1-CG2 3.81Å; Y199-I249 HydrophobicContact CD2-CB 4.37Å; Y199-I249 HydrophobicContact CE1-CB 3.86Å; Y199-I249 HydrophobicContact CE1-CG2 3.54Å; Y199-I249 HydrophobicContact CE2-CB 3.95Å; Y199-I249 HydrophobicContact CG-CG2 4.4Å; Y199-T250 WeakPolarHBondContact CE2-O 3.39Å; Y199-T250 PolarHBondContact OH-N 2.95Å
200S94.8Very high95.1Very high72 Ų7252.2 Ų52.250%0.50329%0.292SS..  trans-90.4125.9-179-169.70000111.4T202S200-T202 WeakPolarHBondContact OG-CG2 3.43Å
201F95.2Very high95.1Very high18 Ų1855.5 Ų55.58%0.07931%0.305CS..  trans-121.3115.4173.7-63.1-81.2000107M191 L194 E206 I209 V210 I213 L243 I249M191-F201 HydrophobicContact CE-CB 4.07Å; M191-F201 WeakPolarHBondContact CE-O 3.32Å; L194-F201 HydrophobicContact CB-CD2 4.33Å; L194-F201 HydrophobicContact CB-CE2 4.18Å; L194-F201 HydrophobicContact CD1-CD2 4.19Å; L194-F201 HydrophobicContact CD1-CE2 3.8Å; F201-E206 HydrophobicContact CB-CB 3.93Å; 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 4.38Å; F201-V210 HydrophobicContact CB-CG2 3.86Å; F201-V210 HydrophobicContact CD1-CG2 3.97Å; F201-V210 HydrophobicContact CD2-CG2 3.5Å; F201-V210 VanDerWaalsContact CD2-CG2 3.5Å; F201-V210 HydrophobicContact CE1-CG2 4.39Å; F201-V210 HydrophobicContact CE2-CG2 3.97Å; F201-V210 HydrophobicContact CG-CG2 3.49Å; F201-V210 VanDerWaalsContact CG-CG2 3.49Å; F201-V210 HydrophobicContact CZ-CG2 4.38Å; F201-I213 HydrophobicContact CZ-CD1 4.43Å; F201-L243 HydrophobicContact CE1-CD2 4.02Å; F201-L243 HydrophobicContact CZ-CD2 4.17Å; F201-I249 HydrophobicContact CZ-CD1 3.95Å
202T92.8Very high95.1Very high111 Ų11155.9 Ų55.968%0.68131%0.307SS*.  trans-120.2-23.8-169610000113.3S200 E206S200-T202 WeakPolarHBondContact OG-CG2 3.43Å; T202-E206 PolarHBondContact N-OE2 2.81Å; T202-E206 PolarHBondContact OG1-OE2 3.01Å
203T91.7Very high95.1Very high66 Ų6650 Ų5041%0.40528%0.281SS..SBendtrans-92.6159.9-177.470.50000112A205 E206 R207T203-A205 PolarHBondContact O-N 3.13Å; T203-E206 PolarHBondContact N-OE2 3.25Å; T203-E206 PolarHBondContact O-N 2.93Å; T203-E206 WeakPolarHBondContact OG1-CB 3.45Å; T203-E206 VanDerWaalsContact OG1-CD 3.28Å; T203-E206 WeakPolarHBondContact OG1-CG 3.39Å; T203-E206 PolarHBondContact OG1-N 3.4Å; T203-E206 VanDerWaalsContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 2.77Å; T203-R207 PolarHBondContact O-N 3.18Å
204T88.1Confident95.2Very high79 Ų7950.3 Ų50.349%0.48528%0.283SS..THydrogen-bonded Turntrans-67-20.5174.854.50000113.4R63R63-T204 PolarHBondContact NH1-O 3.29Å
205A89.9Confident95.2Very high56 Ų5655.9 Ų55.946%0.46331%0.309SS..THydrogen-bonded Turntrans-77.9-45.1173.300000110.5T203 R207 E208T203-A205 PolarHBondContact O-N 3.13Å; A205-R207 VanDerWaalsContact C-N 3.25Å; A205-R207 PolarHBondContact O-N 2.71Å; A205-E208 WeakPolarHBondContact O-CB 3.27Å; A205-E208 PolarHBondContact O-N 2.7Å
206E94.2Very high95.2Very high60 Ų6059.2 Ų59.228%0.2832%0.318SS..Hα-helixtrans-60.4-34.4174.2-77.4167165.300112.6F201 T202 T203 E208 I209 V210F201-E206 HydrophobicContact CB-CB 3.93Å; 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 2.81Å; T202-E206 PolarHBondContact OG1-OE2 3.01Å; T203-E206 PolarHBondContact N-OE2 3.25Å; T203-E206 PolarHBondContact O-N 2.93Å; T203-E206 WeakPolarHBondContact OG1-CB 3.45Å; T203-E206 VanDerWaalsContact OG1-CD 3.28Å; T203-E206 WeakPolarHBondContact OG1-CG 3.39Å; T203-E206 PolarHBondContact OG1-N 3.4Å; T203-E206 VanDerWaalsContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 2.77Å; E206-E208 PolarHBondContact O-N 2.93Å; E206-I209 HydrophobicContact CG-CD1 4.5Å; E206-I209 WeakPolarHBondContact O-CA 3.3Å; E206-I209 VanDerWaalsContact O-CB 3.28Å; E206-I209 WeakPolarHBondContact O-CB 3.3Å; E206-I209 PolarHBondContact O-N 2.9Å; E206-V210 PolarHBondContact O-N 2.81Å
207R94.9Very high95.4Very high36 Ų3655 Ų5514%0.13630%0.299CS..Hα-helixtrans-55.2-33.8171.4-178174.7-168.4-71-6.8113.3R184 T187 D188 M191 T203 A205 V210 R211R184-R207 PolarHBondContact O-NH2 3.15Å; T187-R207 HydrophobicContact CG2-CG 3.97Å; D188-R207 VanDerWaalsContact CG-NH2 3.29Å; D188-R207 IonicContact OD1-CZ 2.93Å; D188-R207 VanDerWaalsContact OD1-CZ 3.22Å; D188-R207 IonicContact OD1-NE 2.94Å; D188-R207 PolarHBondContact OD1-NE 2.79Å; D188-R207 IonicContact OD1-NH2 3.56Å; D188-R207 PolarHBondContact OD1-NH2 3.14Å; D188-R207 IonicContact OD2-NH2 2.9Å; D188-R207 PolarHBondContact OD2-NH2 3.12Å; D188-R207 VanDerWaalsContact OD2-NH2 3.16Å; M191-R207 HydrophobicContact CE-CB 4.22Å; M191-R207 HydrophobicContact SD-CB 3.81Å; M191-R207 HydrophobicContact SD-CG 3.61Å; T203-R207 PolarHBondContact O-N 3.18Å; A205-R207 VanDerWaalsContact C-N 3.25Å; A205-R207 PolarHBondContact O-N 2.71Å; R207-V210 PolarHBondContact O-N 2.95Å; R207-R211 PolarHBondContact O-N 2.9Å
208E94.6Very high95.6Very high28 Ų2851.2 Ų51.213%0.13129%0.285CS..Hα-helixtrans-73.5-31.5177.2-61.8-63.3150.100112.2Q60 R63 A205 E206 V210 R211 D212Q60-E208 VanDerWaalsContact NE2-CG 3.31Å; Q60-E208 PolarHBondContact NE2-OE2 2.74Å; R63-E208 IonicContact CZ-OE1 2.91Å; R63-E208 IonicContact NH1-OE1 3.3Å; R63-E208 PolarHBondContact NH1-OE1 3.22Å; R63-E208 IonicContact NH2-OE1 3.14Å; R63-E208 PolarHBondContact NH2-OE1 2.94Å; A205-E208 WeakPolarHBondContact O-CB 3.27Å; A205-E208 PolarHBondContact O-N 2.7Å; E206-E208 PolarHBondContact O-N 2.93Å; E208-V210 VanDerWaalsContact C-N 3.3Å; E208-R211 PolarHBondContact O-N 3.42Å; E208-R211 IonicContact OE2-CZ 3.35Å; E208-R211 IonicContact OE2-NE 3.53Å; E208-R211 PolarHBondContact OE2-NE 2.93Å; E208-R211 IonicContact OE2-NH2 3.97Å; E208-D212 PolarHBondContact O-N 3.05Å
209I96.7Very high95.8Very high31 Ų3149.8 Ų49.816%0.15926%0.261CS..Hα-helixtrans-62.2-44.8170.2-54.6173.9000108.9F201 E206 R211 D212 I213 Y241 L243 P244F201-I209 HydrophobicContact CE1-CG2 4.38Å; E206-I209 HydrophobicContact CG-CD1 4.5Å; E206-I209 WeakPolarHBondContact O-CA 3.3Å; E206-I209 VanDerWaalsContact O-CB 3.28Å; E206-I209 WeakPolarHBondContact O-CB 3.3Å; E206-I209 PolarHBondContact O-N 2.9Å; I209-R211 VanDerWaalsContact C-N 3.34Å; I209-R211 PolarHBondContact O-N 2.9Å; I209-D212 PolarHBondContact O-N 3.18Å; I209-D212 VanDerWaalsContact O-N 3.16Å; I209-I213 HydrophobicContact CG2-CD1 4.11Å; I209-I213 WeakPolarHBondContact O-CG1 3.3Å; I209-I213 PolarHBondContact O-N 2.94Å; I209-Y241 HydrophobicContact CG2-CE1 3.8Å; I209-L243 HydrophobicContact CG2-CD2 3.67Å; I209-P244 HydrophobicContact CD1-CG 3.83Å; I209-P244 HydrophobicContact CG1-CG 4.18Å
210V98.3Very high95.9Very high0 Ų047.1 Ų47.10%025%0.251CS..Hα-helixtrans-65.8-36.8177.9-178.60000112.2T187 L190 M191 L194 F201 E206 R207 E208 D212 I213 K214T187-V210 HydrophobicContact CG2-CB 4.41Å; T187-V210 HydrophobicContact CG2-CG1 4.3Å; L190-V210 HydrophobicContact CB-CG1 3.76Å; L190-V210 HydrophobicContact CD2-CG1 3.72Å; L190-V210 HydrophobicContact CG-CG1 3.65Å; M191-V210 HydrophobicContact CB-CG1 4.45Å; M191-V210 HydrophobicContact CG-CB 3.75Å; M191-V210 HydrophobicContact CG-CG1 3.62Å; M191-V210 HydrophobicContact CG-CG2 3.75Å; L194-V210 HydrophobicContact CD1-CG1 3.97Å; L194-V210 HydrophobicContact CD1-CG2 4.07Å; F201-V210 HydrophobicContact CB-CG2 3.86Å; F201-V210 HydrophobicContact CD1-CG2 3.97Å; F201-V210 HydrophobicContact CD2-CG2 3.5Å; F201-V210 VanDerWaalsContact CD2-CG2 3.5Å; F201-V210 HydrophobicContact CE1-CG2 4.39Å; F201-V210 HydrophobicContact CE2-CG2 3.97Å; F201-V210 HydrophobicContact CG-CG2 3.49Å; F201-V210 VanDerWaalsContact CG-CG2 3.49Å; F201-V210 HydrophobicContact CZ-CG2 4.38Å; E206-V210 PolarHBondContact O-N 2.81Å; R207-V210 PolarHBondContact O-N 2.95Å; E208-V210 VanDerWaalsContact C-N 3.3Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 3.05Å; V210-I213 PolarHBondContact O-N 3.24Å; V210-K214 WeakPolarHBondContact O-CB 3.31Å; V210-K214 PolarHBondContact O-N 3.49Å
211R97.6Very high96.1Very high69 Ų6943.8 Ų43.826%0.2623%0.227SC..Hα-helixtrans-59.8-43.9171.1-172.6-171.462.471.45.9111.6T187 R207 E208 I209 K214 E215T187-R211 HydrophobicContact CG2-CB 4.01Å; R207-R211 PolarHBondContact O-N 2.9Å; E208-R211 PolarHBondContact O-N 3.42Å; E208-R211 IonicContact OE2-CZ 3.35Å; E208-R211 IonicContact OE2-NE 3.53Å; E208-R211 PolarHBondContact OE2-NE 2.93Å; E208-R211 IonicContact OE2-NH2 3.97Å; I209-R211 VanDerWaalsContact C-N 3.34Å; I209-R211 PolarHBondContact O-N 2.9Å; R211-K214 WeakPolarHBondContact O-CB 3.42Å; R211-K214 PolarHBondContact O-N 3.32Å; R211-E215 WeakPolarHBondContact CG-OE1 3.38Å; R211-E215 IonicContact CZ-OE1 2.84Å; R211-E215 IonicContact NH1-OE1 3.13Å; R211-E215 PolarHBondContact NH1-OE1 3.38Å; R211-E215 IonicContact NH1-OE2 3.64Å; R211-E215 PolarHBondContact NH1-OE2 2.92Å; R211-E215 WeakPolarHBondContact O-CG 3.5Å; R211-E215 PolarHBondContact O-N 3.3Å
212D97.9Very high96.3Very high35 Ų3547.3 Ų47.319%0.18725%0.246CC..Hα-helixtrans-66.7-42178.4-173.280.8000112.2E208 I209 V210 K214 E215 K216 Y241E208-D212 PolarHBondContact O-N 3.05Å; I209-D212 PolarHBondContact O-N 3.18Å; I209-D212 VanDerWaalsContact O-N 3.16Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 3.05Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 2.88Å; D212-E215 PolarHBondContact O-N 2.88Å; D212-K216 VanDerWaalsContact CG-NZ 3.3Å; D212-K216 WeakPolarHBondContact O-CB 3.5Å; D212-K216 WeakPolarHBondContact O-CG 3.32Å; D212-K216 PolarHBondContact O-N 3.16Å; D212-K216 WeakPolarHBondContact OD1-CE 3.36Å; D212-K216 IonicContact OD1-NZ 3.12Å; D212-K216 PolarHBondContact OD1-NZ 3.08Å; D212-K216 VanDerWaalsContact OD1-NZ 3.13Å; D212-K216 VanDerWaalsContact OD2-CD 3.26Å; D212-K216 WeakPolarHBondContact OD2-CD 3.35Å; D212-K216 WeakPolarHBondContact OD2-CE 3.18Å; D212-K216 IonicContact OD2-NZ 3.13Å; D212-K216 PolarHBondContact OD2-NZ 2.97Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.11Å; D212-Y241 PolarHBondContact OD2-OH 3.16Å
213I98.5Very high96.5Very high0 Ų044.8 Ų44.80%023%0.229CC..Hα-helixtrans-54.9-48.4171.2-69166.7000110.2L190 L194 F201 I209 V210 K216 L217 Y241 I249 I251L190-I213 HydrophobicContact CD2-CB 4.46Å; L190-I213 HydrophobicContact CD2-CG2 4.08Å; L194-I213 HydrophobicContact CD1-CD1 4.34Å; F201-I213 HydrophobicContact CZ-CD1 4.43Å; I209-I213 HydrophobicContact CG2-CD1 4.11Å; I209-I213 WeakPolarHBondContact O-CG1 3.3Å; I209-I213 PolarHBondContact O-N 2.94Å; V210-I213 PolarHBondContact O-N 3.24Å; I213-K216 PolarHBondContact O-N 3.33Å; I213-L217 HydrophobicContact CG2-CD1 4.34Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 PolarHBondContact O-N 3.31Å; I213-Y241 HydrophobicContact CD1-CD1 3.99Å; I213-Y241 HydrophobicContact CD1-CE1 4.14Å; I213-Y241 HydrophobicContact CD1-CG 4.3Å; I213-Y241 HydrophobicContact CG1-CD1 3.75Å; I213-Y241 HydrophobicContact CG1-CD2 3.66Å; I213-Y241 HydrophobicContact CG1-CE1 3.77Å; I213-Y241 HydrophobicContact CG1-CE2 3.66Å; I213-Y241 HydrophobicContact CG1-CG 3.7Å; I213-I249 HydrophobicContact CD1-CD1 4.02Å; I213-I251 HydrophobicContact CG2-CD1 4.33Å; I213-I251 HydrophobicContact CG2-CG1 3.99Å; I213-I251 HydrophobicContact CG2-CG2 4.42Å
214K98.5Very high96.8Very high7 Ų742.4 Ų42.43%0.0321%0.213CC..Hα-helixtrans-57.7-51.3179.4-172.3-171.271.1179.20111.3G183 L186 T187 L190 V210 R211 D212 K216 C218 Y307G183-K214 PolarHBondContact O-NZ 3.02Å; L186-K214 HydrophobicContact CB-CD 3.95Å; T187-K214 PolarHBondContact OG1-NZ 3.31Å; L190-K214 HydrophobicContact CD2-CB 3.59Å; L190-K214 HydrophobicContact CD2-CG 4.21Å; V210-K214 WeakPolarHBondContact O-CB 3.31Å; V210-K214 PolarHBondContact O-N 3.49Å; R211-K214 WeakPolarHBondContact O-CB 3.42Å; R211-K214 PolarHBondContact O-N 3.32Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 2.88Å; K214-K216 PolarHBondContact O-N 3.4Å; K214-C218 HydrophobicContact CG-CB 4.49Å; K214-C218 WeakPolarHBondContact O-CB 3.46Å; K214-C218 PolarHBondContact O-N 2.96Å; K214-Y307 VanDerWaalsContact CD-OH 3.27Å; K214-Y307 WeakPolarHBondContact CD-OH 3.44Å; K214-Y307 HydrophobicContact CG-CE1 4.25Å; K214-Y307 VanDerWaalsContact CG-OH 3.26Å; K214-Y307 WeakPolarHBondContact CG-OH 3.28Å
215E98Very high97.3Very high117 Ų11744.8 Ų44.855%0.54722%0.219SC..Hα-helixtrans-68.1-33-176.8-72.8173.7-159.800113R211 D212R211-E215 WeakPolarHBondContact CG-OE1 3.38Å; R211-E215 IonicContact CZ-OE1 2.84Å; R211-E215 IonicContact NH1-OE1 3.13Å; R211-E215 PolarHBondContact NH1-OE1 3.38Å; R211-E215 IonicContact NH1-OE2 3.64Å; R211-E215 PolarHBondContact NH1-OE2 2.92Å; R211-E215 WeakPolarHBondContact O-CG 3.5Å; R211-E215 PolarHBondContact O-N 3.3Å; D212-E215 PolarHBondContact O-N 2.88Å
216K98.2Very high97.7Very high136 Ų13648.2 Ų48.259%0.59123%0.225SC*.Hα-helixtrans-85.7-37.4-178.7-72.7-179.3-177.5159.10114.2D212 I213 K214 Y241D212-K216 VanDerWaalsContact CG-NZ 3.3Å; D212-K216 WeakPolarHBondContact O-CB 3.5Å; D212-K216 WeakPolarHBondContact O-CG 3.32Å; D212-K216 PolarHBondContact O-N 3.16Å; D212-K216 WeakPolarHBondContact OD1-CE 3.36Å; D212-K216 IonicContact OD1-NZ 3.12Å; D212-K216 PolarHBondContact OD1-NZ 3.08Å; D212-K216 VanDerWaalsContact OD1-NZ 3.13Å; D212-K216 VanDerWaalsContact OD2-CD 3.26Å; D212-K216 WeakPolarHBondContact OD2-CD 3.35Å; D212-K216 WeakPolarHBondContact OD2-CE 3.18Å; D212-K216 IonicContact OD2-NZ 3.13Å; D212-K216 PolarHBondContact OD2-NZ 2.97Å; I213-K216 PolarHBondContact O-N 3.33Å; K214-K216 PolarHBondContact O-N 3.4Å; K216-Y241 HydrophobicContact CD-CE2 4.4Å
217L98.4Very high97.8Very high26 Ų2647.5 Ų47.514%0.13622%0.222CC..Hα-helixtrans-114.5-23-164.5-58.5-172.9000114.3I213 K239 Y241 I251 R255I213-L217 HydrophobicContact CG2-CD1 4.34Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 PolarHBondContact O-N 3.31Å; L217-K239 HydrophobicContact CD1-CB 4.22Å; L217-K239 HydrophobicContact CD2-CB 4.22Å; L217-Y241 HydrophobicContact CD1-CD2 4.03Å; L217-Y241 HydrophobicContact CD1-CG 4.42Å; L217-I251 HydrophobicContact CD1-CB 4.35Å; L217-I251 HydrophobicContact CD1-CG1 3.87Å; L217-R255 HydrophobicContact CB-CG 4.42Å; L217-R255 PolarHBondContact O-NE 3.12Å; L217-R255 PolarHBondContact O-NH2 3.13Å
218C98.7Very high98Very high4 Ų448.4 Ų48.43%0.02723%0.228CC..  trans-78151.7-178.3-68.40000112.7K214 R255 P259 Y307K214-C218 HydrophobicContact CG-CB 4.49Å; K214-C218 WeakPolarHBondContact O-CB 3.46Å; K214-C218 PolarHBondContact O-N 2.96Å; C218-R255 CarbonylContact C-O 3.53Å; C218-R255 WeakPolarHBondContact CA-O 3.44Å; C218-R255 WeakPolarHBondContact CB-O 3.39Å; C218-R255 PolarHBondContact SG-O 3.21Å; C218-R255 VanDerWaalsContact SG-O 3.35Å; C218-P259 HydrophobicContact CB-CG 4.29Å; C218-Y307 HydrophobicContact CB-CD1 4.02Å; C218-Y307 HydrophobicContact CB-CE1 3.62Å
219Y98.8Very high98.2Very high33 Ų3350 Ų5013%0.12925%0.246CC..  trans-155.1157.5179.966.2-82.1000109.9E227 R255 F256 P259Y219-E227 PolarHBondContact OH-OE1 2.93Å; Y219-R255 HydrophobicContact CD1-CB 4.09Å; Y219-R255 HydrophobicContact CE1-CB 3.77Å; Y219-R255 PolarHBondContact N-O 3.01Å; Y219-F256 HydrophobicContact CD2-CB 4.38Å; Y219-F256 HydrophobicContact CE1-CB 4.23Å; Y219-F256 HydrophobicContact CE1-CD1 4.35Å; Y219-F256 HydrophobicContact CE2-CB 3.96Å; Y219-F256 AromaticContact CZ-CD1 3.86Å; Y219-F256 VanDerWaalsContact O-CA 3.27Å; Y219-F256 WeakPolarHBondContact O-CA 3.37Å; Y219-F256 WeakPolarHBondContact O-CB 3.45Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.48Å; Y219-P259 WeakPolarHBondContact O-CG 3.48Å
220V98.8Very high98.2Very high5 Ų550.7 Ų50.73%0.0325%0.252CS..  trans-90.6124.7176.6172.90000109.2P259 F263 Y307 P308 I310 R313V220-P259 HydrophobicContact CG2-CB 3.87Å; V220-P259 HydrophobicContact CG2-CG 4.33Å; V220-F263 HydrophobicContact CG1-CD2 4.38Å; V220-F263 HydrophobicContact CG1-CE2 3.67Å; V220-F263 HydrophobicContact CG1-CZ 4.11Å; V220-F263 HydrophobicContact CG2-CE2 4.04Å; V220-Y307 HydrophobicContact CG2-CD2 4.39Å; V220-Y307 HydrophobicContact CG2-CG 4.36Å; V220-P308 PolarHBondContact N-O 2.86Å; V220-I310 HydrophobicContact CB-CB 4.26Å; V220-I310 HydrophobicContact CG2-CB 3.92Å; V220-I310 HydrophobicContact CG2-CG1 4.08Å; V220-R313 HydrophobicContact CG1-CB 3.48Å; V220-R313 VanDerWaalsContact CG1-CB 3.48Å; V220-R313 HydrophobicContact CG1-CG 3.68Å
221A98.5Very high98.1Very high2 Ų251.9 Ų51.92%0.01726%0.262CS..  trans-73.4141.6172.200000110.8D223 E227 F256 R313A221-D223 VanDerWaalsContact C-N 3.34Å; A221-E227 HydrophobicContact CB-CB 3.73Å; A221-E227 HydrophobicContact CB-CG 3.82Å; A221-F256 HydrophobicContact CB-CB 4.24Å; A221-F256 HydrophobicContact CB-CD2 4.31Å; A221-F256 HydrophobicContact CB-CG 4.48Å; A221-R313 WeakPolarHBondContact O-CD 3.44Å; A221-R313 PolarHBondContact O-NH1 2.7Å
222L98.4Very high98.1Very high92 Ų9253 Ų5348%0.48229%0.286SS..SBendtrans-70.2-35.1174.5-176.365.2000111.6D312 R313 K316L222-D312 HydrophobicContact CD1-CB 4.16Å; L222-R313 WeakPolarHBondContact O-CD 3.43Å; L222-K316 HydrophobicContact CD1-CB 4.09Å; L222-K316 HydrophobicContact CD1-CD 3.88Å; L222-K316 HydrophobicContact CG-CD 4.16Å; L222-K316 WeakPolarHBondContact O-CD 3.4Å; L222-K316 PolarHBondContact O-NZ 3.48Å
223D98.3Very high97.9Very high58 Ų5856.1 Ų56.131%0.3131%0.31SS..SBendtrans-135.3105.5174.8-165.4-62.5000108.9A221 E225 Q226 E227 K316A221-D223 VanDerWaalsContact C-N 3.34Å; D223-E225 PolarHBondContact O-N 3.45Å; D223-E225 PolarHBondContact OD1-N 3.39Å; D223-Q226 HydrophobicContact CB-CB 3.93Å; D223-Q226 PolarHBondContact O-N 3.36Å; D223-Q226 PolarHBondContact OD1-N 3.44Å; D223-Q226 VanDerWaalsContact OD1-N 3.08Å; D223-E227 WeakPolarHBondContact O-CB 3.26Å; D223-E227 PolarHBondContact O-N 3.03Å; D223-K316 IonicContact OD2-NZ 3.1Å; D223-K316 PolarHBondContact OD2-NZ 2.91Å; D223-K316 VanDerWaalsContact OD2-NZ 3.1Å
224F98Very high97.7Very high17 Ų1758.5 Ų58.58%0.07533%0.327CS..Hα-helixtrans-62.4-43.4-172.2177.3-101.8000112.4E227 M228 F256 R257 E260 F267F224-E227 PolarHBondContact O-N 2.76Å; F224-M228 HydrophobicContact CD1-CG 4.26Å; F224-M228 HydrophobicContact CE1-CG 3.77Å; F224-M228 HydrophobicContact CE2-CG 4.1Å; F224-M228 HydrophobicContact CE2-SD 4.36Å; F224-M228 HydrophobicContact CZ-CG 3.68Å; F224-M228 HydrophobicContact CZ-SD 4.01Å; F224-M228 WeakPolarHBondContact O-CB 3.48Å; F224-M228 WeakPolarHBondContact O-CG 3.36Å; F224-M228 PolarHBondContact O-N 3.01Å; F224-F256 AromaticContact CD2-CD2 3.96Å; F224-F256 HydrophobicContact CD2-CD2 3.96Å; F224-F256 HydrophobicContact CD2-CE2 4.23Å; F224-F256 AromaticContact CE2-CD2 3.9Å; F224-F256 HydrophobicContact CE2-CD2 3.9Å; F224-F256 AromaticContact CE2-CE2 4Å; F224-F256 HydrophobicContact CE2-CE2 4Å; F224-R257 HydrophobicContact CE2-CG 3.9Å; F224-R257 HydrophobicContact CZ-CG 4.02Å; F224-E260 HydrophobicContact CB-CG 4.43Å; F224-E260 HydrophobicContact CD1-CG 4.39Å; F224-E260 HydrophobicContact CD2-CB 3.79Å; F224-E260 HydrophobicContact CD2-CG 3.41Å; F224-E260 VanDerWaalsContact CD2-CG 3.41Å; F224-E260 HydrophobicContact CE2-CB 3.78Å; F224-E260 HydrophobicContact CE2-CG 3.67Å; F224-E260 HydrophobicContact CG-CG 3.81Å; F224-E260 HydrophobicContact CZ-CG 4.26Å; F224-F267 HydrophobicContact CE1-CE2 4.14Å; F224-F267 AromaticContact CE1-CZ 3.77Å; F224-F267 HydrophobicContact CE1-CZ 3.77Å; F224-F267 HydrophobicContact CE2-CE2 4.15Å; F224-F267 AromaticContact CZ-CE2 3.66Å; F224-F267 HydrophobicContact CZ-CE2 3.66Å; F224-F267 AromaticContact CZ-CZ 3.75Å; F224-F267 HydrophobicContact CZ-CZ 3.75Å
225E97.9Very high97.5Very high128 Ų12862 Ų6260%0.59835%0.352SS*.Hα-helixtrans-68.4-41-177.9-63.5-57.6150.600111.5D223 M228 A229D223-E225 PolarHBondContact O-N 3.45Å; D223-E225 PolarHBondContact OD1-N 3.39Å; E225-M228 PolarHBondContact O-N 3.21Å; E225-A229 PolarHBondContact O-N 2.73Å
226Q97.8Very high97.4Very high129 Ų12960.2 Ų60.260%0.60335%0.353SS*.Hα-helixtrans-63.7-41.5174.1-174.2-178.2-12.500112D223 M228 A229 T230D223-Q226 HydrophobicContact CB-CB 3.93Å; D223-Q226 PolarHBondContact O-N 3.36Å; D223-Q226 PolarHBondContact OD1-N 3.44Å; D223-Q226 VanDerWaalsContact OD1-N 3.08Å; Q226-M228 VanDerWaalsContact C-N 3.35Å; Q226-A229 PolarHBondContact O-N 2.71Å; Q226-T230 PolarHBondContact O-N 3.13Å; Q226-T230 PolarHBondContact O-OG1 3.25Å
227E98.1Very high97.2Very high44 Ų4455 Ų5521%0.20633%0.331CS..Hα-helixtrans-65.8-39.3178-155.577.4-134.800111Y219 A221 D223 F224 T230 A231 L237 F256Y219-E227 PolarHBondContact OH-OE1 2.93Å; A221-E227 HydrophobicContact CB-CB 3.73Å; A221-E227 HydrophobicContact CB-CG 3.82Å; D223-E227 WeakPolarHBondContact O-CB 3.26Å; D223-E227 PolarHBondContact O-N 3.03Å; F224-E227 PolarHBondContact O-N 2.76Å; E227-T230 PolarHBondContact O-N 3.45Å; E227-A231 WeakPolarHBondContact O-CB 3.44Å; E227-A231 PolarHBondContact O-N 3.15Å; E227-L237 HydrophobicContact CG-CD1 4.02Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.19Å; E227-L237 VanDerWaalsContact OE1-CD2 3.29Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.43Å; E227-F256 HydrophobicContact CB-CD2 4.05Å; E227-F256 HydrophobicContact CB-CE1 4.44Å; E227-F256 HydrophobicContact CB-CE2 3.78Å; E227-F256 HydrophobicContact CB-CZ 3.99Å; E227-F256 HydrophobicContact CG-CD1 3.75Å; E227-F256 HydrophobicContact CG-CD2 3.89Å; E227-F256 HydrophobicContact CG-CE1 3.68Å; E227-F256 HydrophobicContact CG-CE2 3.85Å; E227-F256 HydrophobicContact CG-CG 3.84Å; E227-F256 HydrophobicContact CG-CZ 3.74Å
228M97.9Very high97.2Very high55 Ų5557.5 Ų57.527%0.27134%0.342SS..Hα-helixtrans-59.9-46.5172.2-79.4-59-6500112.2F224 E225 Q226 T230 A231 A232 N253 F256 R257F224-M228 HydrophobicContact CD1-CG 4.26Å; F224-M228 HydrophobicContact CE1-CG 3.77Å; F224-M228 HydrophobicContact CE2-CG 4.1Å; F224-M228 HydrophobicContact CE2-SD 4.36Å; F224-M228 HydrophobicContact CZ-CG 3.68Å; F224-M228 HydrophobicContact CZ-SD 4.01Å; F224-M228 WeakPolarHBondContact O-CB 3.48Å; F224-M228 WeakPolarHBondContact O-CG 3.36Å; F224-M228 PolarHBondContact O-N 3.01Å; E225-M228 PolarHBondContact O-N 3.21Å; Q226-M228 VanDerWaalsContact C-N 3.35Å; M228-T230 VanDerWaalsContact C-N 3.29Å; M228-T230 PolarHBondContact O-N 3.26Å; M228-A231 PolarHBondContact O-N 3.34Å; M228-A232 WeakPolarHBondContact O-CB 3.47Å; M228-A232 PolarHBondContact O-N 3.09Å; M228-N253 HydrophobicContact SD-CB 4.23Å; M228-F256 HydrophobicContact CG-CE2 3.82Å; M228-F256 HydrophobicContact CG-CZ 4.32Å; M228-F256 HydrophobicContact SD-CE2 3.56Å; M228-F256 VanDerWaalsContact SD-CE2 3.56Å; M228-F256 HydrophobicContact SD-CZ 3.77Å; M228-R257 HydrophobicContact SD-CG 3.83Å
229A98Very high97.2Very high61 Ų6162.3 Ų62.350%0.50436%0.363SS..Hα-helixtrans-62.8-37.3177.100000112.2E225 Q226 A232 S233E225-A229 PolarHBondContact O-N 2.73Å; Q226-A229 PolarHBondContact O-N 2.71Å; A229-A232 PolarHBondContact O-N 3.02Å; A229-S233 PolarHBondContact O-N 3.24Å; A229-S233 PolarHBondContact O-OG 3.17Å
230T97.6Very high97.1Very high47 Ų4764.8 Ų64.829%0.28838%0.384SS..Hα-helixtrans-66.7-45.1175.6-56.30000111Q226 E227 M228 A232 S233 S234 L237Q226-T230 PolarHBondContact O-N 3.13Å; Q226-T230 PolarHBondContact O-OG1 3.25Å; E227-T230 PolarHBondContact O-N 3.45Å; M228-T230 VanDerWaalsContact C-N 3.29Å; M228-T230 PolarHBondContact O-N 3.26Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 3.04Å; T230-S233 PolarHBondContact O-N 3.18Å; T230-S233 VanDerWaalsContact O-N 3.16Å; T230-S233 PolarHBondContact O-OG 3.11Å; T230-S234 WeakPolarHBondContact O-CB 3.46Å; T230-S234 PolarHBondContact O-N 3.41Å; T230-L237 HydrophobicContact CG2-CD1 3.91Å; T230-L237 HydrophobicContact CG2-CG 4.26Å
231A96.7Very high97.1Very high25 Ų2566 Ų6621%0.20739%0.389CS..Hα-helixtrans-64.4-30.1177.700000113.3E227 M228 L237 N253 F256E227-A231 WeakPolarHBondContact O-CB 3.44Å; E227-A231 PolarHBondContact O-N 3.15Å; M228-A231 PolarHBondContact O-N 3.34Å; A231-L237 HydrophobicContact CB-CD1 3.98Å; A231-N253 HydrophobicContact CB-CB 3.91Å; A231-F256 HydrophobicContact CB-CE1 4Å; A231-F256 HydrophobicContact CB-CZ 3.89Å
232A96.1Very high97Very high92 Ų9272.4 Ų72.476%0.7642%0.418SS*.Hα-helixtrans-75.3-24.5176.400000113.2M228 A229 T230M228-A232 WeakPolarHBondContact O-CB 3.47Å; M228-A232 PolarHBondContact O-N 3.09Å; A229-A232 PolarHBondContact O-N 3.02Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 3.04Å
233S95.6Very high96.9Very high101 Ų10168.9 Ų68.971%0.70640%0.4SS*.Hα-helixtrans-107-13.4-175.354.40000114.1A229 T230A229-S233 PolarHBondContact O-N 3.24Å; A229-S233 PolarHBondContact O-OG 3.17Å; T230-S233 PolarHBondContact O-N 3.18Å; T230-S233 VanDerWaalsContact O-N 3.16Å; T230-S233 PolarHBondContact O-OG 3.11Å
234S93.3Very high96.7Very high49 Ų4971.3 Ų71.334%0.34342%0.419SS..  trans-147142.5-175-178.60000112.1T230 S236T230-S234 WeakPolarHBondContact O-CB 3.46Å; T230-S234 PolarHBondContact O-N 3.41Å; S234-S236 PolarHBondContact O-N 2.92Å; S234-S236 VanDerWaalsContact OG-CB 3.28Å; S234-S236 WeakPolarHBondContact OG-CB 3.43Å; S234-S236 PolarHBondContact OG-N 3.47Å; S234-S236 VanDerWaalsContact OG-N 3.07Å; S234-S236 PolarHBondContact OG-OG 3.35Å
235S94.2Very high96.4Very high81 Ų8176.2 Ų76.257%0.56645%0.446SS*.G310 helixtrans-83.44169.658.30000113.3L237 E238S235-L237 PolarHBondContact O-N 2.93Å; S235-L237 VanDerWaalsContact O-N 3.08Å; S235-E238 WeakPolarHBondContact CB-OE2 3.4Å; S235-E238 WeakPolarHBondContact O-CB 3.15Å; S235-E238 PolarHBondContact O-N 2.82Å
236S95.2Very high96.3Very high80 Ų8072 Ų7256%0.55944%0.437SS*.G310 helixtrans-60.1-22.9-177.855.20000114S234S234-S236 PolarHBondContact O-N 2.92Å; S234-S236 VanDerWaalsContact OG-CB 3.28Å; S234-S236 WeakPolarHBondContact OG-CB 3.43Å; S234-S236 PolarHBondContact OG-N 3.47Å; S234-S236 VanDerWaalsContact OG-N 3.07Å; S234-S236 PolarHBondContact OG-OG 3.35Å
237L96Very high96.2Very high26 Ų2670.9 Ų70.914%0.13643%0.432CS..G310 helixtrans-89.4-7.7178.1-57.9-179.4000113.2E227 T230 A231 S235 R255 F256E227-L237 HydrophobicContact CG-CD1 4.02Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.19Å; E227-L237 VanDerWaalsContact OE1-CD2 3.29Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.43Å; T230-L237 HydrophobicContact CG2-CD1 3.91Å; T230-L237 HydrophobicContact CG2-CG 4.26Å; A231-L237 HydrophobicContact CB-CD1 3.98Å; S235-L237 PolarHBondContact O-N 2.93Å; S235-L237 VanDerWaalsContact O-N 3.08Å; L237-R255 WeakPolarHBondContact O-CD 3.32Å; L237-R255 PolarHBondContact O-NH1 2.69Å; L237-F256 HydrophobicContact CD1-CE1 4.09Å
238E97.4Very high96.2Very high78 Ų7873 Ų7336%0.36445%0.447SS..  trans-74.4146.6179.8-59.4-168.7138.200111.7R197 S235 T250 I251R197-E238 IonicContact CZ-OE1 2.94Å; R197-E238 IonicContact NH2-OE1 3.13Å; R197-E238 PolarHBondContact NH2-OE1 3.27Å; S235-E238 WeakPolarHBondContact CB-OE2 3.4Å; S235-E238 WeakPolarHBondContact O-CB 3.15Å; S235-E238 PolarHBondContact O-N 2.82Å; E238-T250 HydrophobicContact CB-CG2 3.81Å; E238-T250 HydrophobicContact CG-CG2 4.22Å; E238-I251 WeakPolarHBondContact CA-O 3.21Å
239K98Very high96.1Very high106 Ų10670.4 Ų70.446%0.46144%0.435SS..EExtended strand (participates in β ladder)trans-133.7140172.2-69.6-67.6-179.7-176.80110.3L217 I251 R255L217-K239 HydrophobicContact CD1-CB 4.22Å; L217-K239 HydrophobicContact CD2-CB 4.22Å; K239-I251 PolarHBondContact N-O 3.16Å; K239-I251 PolarHBondContact O-N 2.89Å; K239-R255 VanDerWaalsContact CG-NH1 3.33Å
240S97.2Very high96.1Very high84 Ų8469.6 Ų69.659%0.58742%0.424SS*.EExtended strand (participates in β ladder)trans-79.7144.2170.6540000110.9I249S240-I249 CarbonylContact C-O 3.55Å; S240-I249 VanDerWaalsContact CA-O 3.32Å; S240-I249 WeakPolarHBondContact CA-O 3.37Å
241Y98.1Very high96.1Very high31 Ų3167.4 Ų67.412%0.12241%0.41CS..EExtended strand (participates in β ladder)trans-131.9133171.2-177-86.3000109.2I209 D212 I213 K216 L217 L243 V248 I249I209-Y241 HydrophobicContact CG2-CE1 3.8Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.11Å; D212-Y241 PolarHBondContact OD2-OH 3.16Å; I213-Y241 HydrophobicContact CD1-CD1 3.99Å; I213-Y241 HydrophobicContact CD1-CE1 4.14Å; I213-Y241 HydrophobicContact CD1-CG 4.3Å; I213-Y241 HydrophobicContact CG1-CD1 3.75Å; I213-Y241 HydrophobicContact CG1-CD2 3.66Å; I213-Y241 HydrophobicContact CG1-CE1 3.77Å; I213-Y241 HydrophobicContact CG1-CE2 3.66Å; I213-Y241 HydrophobicContact CG1-CG 3.7Å; K216-Y241 HydrophobicContact CD-CE2 4.4Å; L217-Y241 HydrophobicContact CD1-CD2 4.03Å; L217-Y241 HydrophobicContact CD1-CG 4.42Å; Y241-L243 HydrophobicContact CD1-CD2 4.1Å; Y241-L243 HydrophobicContact CE1-CD2 4.05Å; Y241-V248 WeakPolarHBondContact O-CA 3.33Å; Y241-I249 HydrophobicContact CD1-CD1 4.46Å; Y241-I249 HydrophobicContact CD1-CG1 4.35Å; Y241-I249 PolarHBondContact N-O 3.29Å; Y241-I249 PolarHBondContact O-N 2.9Å
242E98Very high96.2Very high136 Ų13666.4 Ų66.464%0.63640%0.402SS*.EExtended strand (participates in β ladder)trans-93.5119.4177.8-171.1177.5164.100109.9V248E242-V248 HydrophobicContact CB-CG2 4.43Å; E242-V248 HydrophobicContact CG-CG2 4.34Å
243L96Very high96.3Very high18 Ų1863.8 Ų63.89%0.09438%0.376CS..  trans-72.8158.7175.4-65.3178.6000110.7F201 I209 Y241 D245 G246 Q247 I249F201-L243 HydrophobicContact CE1-CD2 4.02Å; F201-L243 HydrophobicContact CZ-CD2 4.17Å; I209-L243 HydrophobicContact CG2-CD2 3.67Å; Y241-L243 HydrophobicContact CD1-CD2 4.1Å; Y241-L243 HydrophobicContact CE1-CD2 4.05Å; L243-D245 WeakPolarHBondContact CB-OD1 3.42Å; L243-D245 PolarHBondContact O-N 3.4Å; L243-G246 WeakPolarHBondContact O-CA 3.47Å; L243-G246 PolarHBondContact O-N 3Å; L243-Q247 HydrophobicContact CB-CB 4.43Å; L243-Q247 VanDerWaalsContact CB-O 3.29Å; L243-Q247 WeakPolarHBondContact CB-O 3.27Å; L243-Q247 HydrophobicContact CD1-CB 4.16Å; L243-Q247 HydrophobicContact CD1-CG 4.35Å; L243-Q247 WeakPolarHBondContact CG-O 3.31Å; L243-Q247 PolarHBondContact N-O 2.75Å; L243-I249 HydrophobicContact CD1-CG2 3.73Å; 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 4.37Å; L243-I249 HydrophobicContact CG-CG2 4.17Å
244P93.1Very high96.4Very high110 Ų11059.3 Ų59.371%0.71434%0.343SS*.THydrogen-bonded Turntrans-59.5-19.2-179.6-26.336000115.7I209 G246I209-P244 HydrophobicContact CD1-CG 3.83Å; I209-P244 HydrophobicContact CG1-CG 4.18Å; P244-G246 VanDerWaalsContact C-N 3.31Å
245D93.4Very high96.6Very high119 Ų11958.4 Ų58.464%0.63633%0.332SS*.THydrogen-bonded Turntrans-87.61.7174.762.9-0.3000113.4L243 Q247L243-D245 WeakPolarHBondContact CB-OD1 3.42Å; L243-D245 PolarHBondContact O-N 3.4Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.29Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.31Å; D245-Q247 PolarHBondContact OD1-N 3.24Å
246G95.1Very high96.8Very high40 Ų4054.6 Ų54.641%0.41231%0.306SS..SBendtrans86.1-3.3-177.500000114.3L243 P244 V248L243-G246 WeakPolarHBondContact O-CA 3.47Å; L243-G246 PolarHBondContact O-N 3Å; P244-G246 VanDerWaalsContact C-N 3.31Å; G246-V248 PolarHBondContact O-N 3.11Å
247Q95.7Very high97Very high106 Ų10653.1 Ų53.150%0.49529%0.288SS..  trans-69.5129.1175.7-180179.6-2.800110.3L243 D245 I249L243-Q247 HydrophobicContact CB-CB 4.43Å; L243-Q247 VanDerWaalsContact CB-O 3.29Å; L243-Q247 WeakPolarHBondContact CB-O 3.27Å; L243-Q247 HydrophobicContact CD1-CB 4.16Å; L243-Q247 HydrophobicContact CD1-CG 4.35Å; L243-Q247 WeakPolarHBondContact CG-O 3.31Å; L243-Q247 PolarHBondContact N-O 2.75Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.29Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.31Å; D245-Q247 PolarHBondContact OD1-N 3.24Å; Q247-I249 HydrophobicContact CG-CG2 4.41Å
248V97.3Very high97.1Very high87 Ų8751.9 Ų51.953%0.52728%0.281SS..EExtended strand (participates in β ladder)trans-93.4124.8174.8-176.90000110.1Y241 E242 G246Y241-V248 WeakPolarHBondContact O-CA 3.33Å; E242-V248 HydrophobicContact CB-CG2 4.43Å; E242-V248 HydrophobicContact CG-CG2 4.34Å; G246-V248 PolarHBondContact O-N 3.11Å
249I97.2Very high97.2Very high1 Ų148.1 Ų48.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-111.1157.4174.963.8171.2000110.8Y199 F201 I213 S240 Y241 L243 Q247 I251Y199-I249 HydrophobicContact CD1-CB 4.28Å; Y199-I249 HydrophobicContact CD1-CG2 3.81Å; Y199-I249 HydrophobicContact CD2-CB 4.37Å; Y199-I249 HydrophobicContact CE1-CB 3.86Å; Y199-I249 HydrophobicContact CE1-CG2 3.54Å; Y199-I249 HydrophobicContact CE2-CB 3.95Å; Y199-I249 HydrophobicContact CG-CG2 4.4Å; F201-I249 HydrophobicContact CZ-CD1 3.95Å; I213-I249 HydrophobicContact CD1-CD1 4.02Å; S240-I249 CarbonylContact C-O 3.55Å; S240-I249 VanDerWaalsContact CA-O 3.32Å; S240-I249 WeakPolarHBondContact CA-O 3.37Å; Y241-I249 HydrophobicContact CD1-CD1 4.46Å; Y241-I249 HydrophobicContact CD1-CG1 4.35Å; Y241-I249 PolarHBondContact N-O 3.29Å; Y241-I249 PolarHBondContact O-N 2.9Å; L243-I249 HydrophobicContact CD1-CG2 3.73Å; 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 4.37Å; L243-I249 HydrophobicContact CG-CG2 4.17Å; Q247-I249 HydrophobicContact CG-CG2 4.41Å; I249-I251 HydrophobicContact CD1-CD1 3.64Å; I249-I251 HydrophobicContact CG1-CD1 3.88Å
250T97.5Very high97.2Very high45 Ų4543.1 Ų43.128%0.27624%0.242SC..EExtended strand (participates in β ladder)trans-111.2123.1179.6-59.40000110.5R197 Y199 E238R197-T250 PolarHBondContact NE-O 2.86Å; Y199-T250 WeakPolarHBondContact CE2-O 3.39Å; Y199-T250 PolarHBondContact OH-N 2.95Å; E238-T250 HydrophobicContact CB-CG2 3.81Å; E238-T250 HydrophobicContact CG-CG2 4.22Å
251I98.1Very high97.3Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-104.5121.1176.5-40.5-50.7000108.2L194 I213 L217 E238 K239 I249 E254 R255L194-I251 HydrophobicContact CD2-CD1 3.77Å; L194-I251 HydrophobicContact CD2-CG2 4.24Å; I213-I251 HydrophobicContact CG2-CD1 4.33Å; I213-I251 HydrophobicContact CG2-CG1 3.99Å; I213-I251 HydrophobicContact CG2-CG2 4.42Å; L217-I251 HydrophobicContact CD1-CB 4.35Å; L217-I251 HydrophobicContact CD1-CG1 3.87Å; E238-I251 WeakPolarHBondContact CA-O 3.21Å; K239-I251 PolarHBondContact N-O 3.16Å; K239-I251 PolarHBondContact O-N 2.89Å; I249-I251 HydrophobicContact CD1-CD1 3.64Å; I249-I251 HydrophobicContact CG1-CD1 3.88Å; I251-E254 HydrophobicContact CG2-CB 4.13Å; I251-R255 HydrophobicContact CB-CG 4.11Å; I251-R255 HydrophobicContact CG2-CG 3.61Å; I251-R255 WeakPolarHBondContact O-CD 3.46Å
252G97.6Very high97.3Very high4 Ų437.7 Ų37.74%0.04121%0.208CC..  trans-108.5-117.2-176.200000112.3E254 R255G252-E254 VanDerWaalsContact C-OE2 3.24Å; G252-E254 VanDerWaalsContact CA-OE2 3.29Å; G252-E254 WeakPolarHBondContact CA-OE2 3.29Å; G252-E254 PolarHBondContact N-OE2 2.92Å; G252-E254 PolarHBondContact O-N 3.34Å; G252-E254 VanDerWaalsContact O-N 3.15Å; G252-R255 VanDerWaalsContact O-CB 3.32Å; G252-R255 WeakPolarHBondContact O-CB 3.21Å; G252-R255 WeakPolarHBondContact O-CG 3.35Å; G252-R255 PolarHBondContact O-N 3.25Å; G252-R255 VanDerWaalsContact O-N 3.14Å
253N97.6Very high97.3Very high38 Ų3831.4 Ų31.420%0.20318%0.179CC..THydrogen-bonded Turntrans-65-16.5-177.363.149000113.7M228 A231 R255 F256 R257M228-N253 HydrophobicContact SD-CB 4.23Å; A231-N253 HydrophobicContact CB-CB 3.91Å; N253-R255 PolarHBondContact O-N 3.19Å; N253-R255 VanDerWaalsContact O-N 3.11Å; N253-F256 VanDerWaalsContact CA-CE1 3.49Å; N253-F256 HydrophobicContact CB-CE1 3.7Å; N253-F256 HydrophobicContact CB-CE2 4.47Å; N253-F256 HydrophobicContact CB-CZ 3.63Å; N253-F256 PolarHBondContact O-N 3.47Å; N253-F256 VanDerWaalsContact O-N 3.13Å; N253-R257 HydrophobicContact CB-CG 4.47Å; N253-R257 WeakPolarHBondContact O-CB 3.34Å; N253-R257 WeakPolarHBondContact O-CG 3.4Å; N253-R257 PolarHBondContact O-N 2.88Å; N253-R257 WeakPolarHBondContact OD1-CD 3.14Å; N253-R257 PolarHBondContact OD1-NH1 3.32Å; N253-R257 VanDerWaalsContact OD1-NH1 3.16Å
254E98.2Very high97.4Very high6 Ų633.7 Ų33.73%0.02819%0.189CC..Hα-helixtrans-58.2-26.7174.6-53.978.1-163.500111.5L190 I193 L194 R197 I251 G252 F256 C258L190-E254 HydrophobicContact CD1-CB 3.89Å; I193-E254 HydrophobicContact CB-CG 4.22Å; I193-E254 HydrophobicContact CD1-CB 3.7Å; I193-E254 HydrophobicContact CD1-CG 4.02Å; I193-E254 HydrophobicContact CG1-CB 3.92Å; I193-E254 HydrophobicContact CG1-CG 3.82Å; L194-E254 HydrophobicContact CD2-CB 4.41Å; L194-E254 HydrophobicContact CD2-CG 4.31Å; R197-E254 WeakPolarHBondContact CD-OE1 3.06Å; R197-E254 IonicContact CZ-OE2 3.64Å; R197-E254 IonicContact NH1-OE1 3.18Å; R197-E254 PolarHBondContact NH1-OE1 2.67Å; R197-E254 VanDerWaalsContact NH1-OE1 3.12Å; R197-E254 IonicContact NH1-OE2 2.9Å; R197-E254 PolarHBondContact NH1-OE2 2.84Å; I251-E254 HydrophobicContact CG2-CB 4.13Å; G252-E254 VanDerWaalsContact C-OE2 3.24Å; G252-E254 VanDerWaalsContact CA-OE2 3.29Å; G252-E254 WeakPolarHBondContact CA-OE2 3.29Å; G252-E254 PolarHBondContact N-OE2 2.92Å; G252-E254 PolarHBondContact O-N 3.34Å; G252-E254 VanDerWaalsContact O-N 3.15Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 2.77Å; E254-C258 VanDerWaalsContact O-CB 3.27Å; E254-C258 WeakPolarHBondContact O-CB 3.35Å; E254-C258 PolarHBondContact O-N 3.12Å; E254-C258 VanDerWaalsContact O-N 3.12Å
255R98.6Very high97.6Very high31 Ų3128.6 Ų28.612%0.11716%0.156CC..Hα-helixtrans-57.7-40176.8-64.317865.5-140.5-9.1112.9L217 C218 Y219 L237 K239 I251 G252 N253 P259L217-R255 HydrophobicContact CB-CG 4.42Å; L217-R255 PolarHBondContact O-NE 3.12Å; L217-R255 PolarHBondContact O-NH2 3.13Å; C218-R255 CarbonylContact C-O 3.53Å; C218-R255 WeakPolarHBondContact CA-O 3.44Å; C218-R255 WeakPolarHBondContact CB-O 3.39Å; C218-R255 PolarHBondContact SG-O 3.21Å; C218-R255 VanDerWaalsContact SG-O 3.35Å; Y219-R255 HydrophobicContact CD1-CB 4.09Å; Y219-R255 HydrophobicContact CE1-CB 3.77Å; Y219-R255 PolarHBondContact N-O 3.01Å; L237-R255 WeakPolarHBondContact O-CD 3.32Å; L237-R255 PolarHBondContact O-NH1 2.69Å; K239-R255 VanDerWaalsContact CG-NH1 3.33Å; I251-R255 HydrophobicContact CB-CG 4.11Å; I251-R255 HydrophobicContact CG2-CG 3.61Å; I251-R255 WeakPolarHBondContact O-CD 3.46Å; G252-R255 VanDerWaalsContact O-CB 3.32Å; G252-R255 WeakPolarHBondContact O-CB 3.21Å; G252-R255 WeakPolarHBondContact O-CG 3.35Å; G252-R255 PolarHBondContact O-N 3.25Å; G252-R255 VanDerWaalsContact O-N 3.14Å; N253-R255 PolarHBondContact O-N 3.19Å; N253-R255 VanDerWaalsContact O-N 3.11Å; R255-P259 WeakPolarHBondContact O-CD 3.38Å
256F98.5Very high97.8Very high0 Ų026.8 Ų26.80%015%0.153CC..Hα-helixtrans-109-23.2179.763.9-92.9000113.5Y219 A221 F224 E227 M228 A231 L237 N253 E254 C258 P259 E260Y219-F256 HydrophobicContact CD2-CB 4.38Å; Y219-F256 HydrophobicContact CE1-CB 4.23Å; Y219-F256 HydrophobicContact CE1-CD1 4.35Å; Y219-F256 HydrophobicContact CE2-CB 3.96Å; Y219-F256 AromaticContact CZ-CD1 3.86Å; Y219-F256 VanDerWaalsContact O-CA 3.27Å; Y219-F256 WeakPolarHBondContact O-CA 3.37Å; Y219-F256 WeakPolarHBondContact O-CB 3.45Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.48Å; A221-F256 HydrophobicContact CB-CB 4.24Å; A221-F256 HydrophobicContact CB-CD2 4.31Å; A221-F256 HydrophobicContact CB-CG 4.48Å; F224-F256 AromaticContact CD2-CD2 3.96Å; F224-F256 HydrophobicContact CD2-CD2 3.96Å; F224-F256 HydrophobicContact CD2-CE2 4.23Å; F224-F256 AromaticContact CE2-CD2 3.9Å; F224-F256 HydrophobicContact CE2-CD2 3.9Å; F224-F256 AromaticContact CE2-CE2 4Å; F224-F256 HydrophobicContact CE2-CE2 4Å; E227-F256 HydrophobicContact CB-CD2 4.05Å; E227-F256 HydrophobicContact CB-CE1 4.44Å; E227-F256 HydrophobicContact CB-CE2 3.78Å; E227-F256 HydrophobicContact CB-CZ 3.99Å; E227-F256 HydrophobicContact CG-CD1 3.75Å; E227-F256 HydrophobicContact CG-CD2 3.89Å; E227-F256 HydrophobicContact CG-CE1 3.68Å; E227-F256 HydrophobicContact CG-CE2 3.85Å; E227-F256 HydrophobicContact CG-CG 3.84Å; E227-F256 HydrophobicContact CG-CZ 3.74Å; M228-F256 HydrophobicContact CG-CE2 3.82Å; M228-F256 HydrophobicContact CG-CZ 4.32Å; M228-F256 HydrophobicContact SD-CE2 3.56Å; M228-F256 VanDerWaalsContact SD-CE2 3.56Å; M228-F256 HydrophobicContact SD-CZ 3.77Å; A231-F256 HydrophobicContact CB-CE1 4Å; A231-F256 HydrophobicContact CB-CZ 3.89Å; L237-F256 HydrophobicContact CD1-CE1 4.09Å; N253-F256 VanDerWaalsContact CA-CE1 3.49Å; N253-F256 HydrophobicContact CB-CE1 3.7Å; N253-F256 HydrophobicContact CB-CE2 4.47Å; N253-F256 HydrophobicContact CB-CZ 3.63Å; N253-F256 PolarHBondContact O-N 3.47Å; N253-F256 VanDerWaalsContact O-N 3.13Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 2.77Å; F256-C258 PolarHBondContact O-N 2.87Å; F256-P259 WeakPolarHBondContact O-CD 3.35Å; F256-E260 WeakPolarHBondContact O-CB 3.48Å; F256-E260 PolarHBondContact O-N 2.94Å; F256-E260 VanDerWaalsContact O-N 3.16Å
257R98.2Very high97.8Very high49 Ų4927.7 Ų27.719%0.18515%0.145CC..Hα-helixtrans-62.6-39.5170.8-75.5174.968.9-156.2-3.5112.9Y189 I193 E196 F224 M228 N253 E260Y189-R257 WeakPolarHBondContact CE1-O 3.42Å; I193-R257 HydrophobicContact CD1-CB 4.23Å; E196-R257 IonicContact OE2-NH1 2.72Å; E196-R257 IonicContact OE2-NH2 3.45Å; E196-R257 PolarHBondContact OE2-NH2 2.84Å; F224-R257 HydrophobicContact CE2-CG 3.9Å; F224-R257 HydrophobicContact CZ-CG 4.02Å; M228-R257 HydrophobicContact SD-CG 3.83Å; N253-R257 HydrophobicContact CB-CG 4.47Å; N253-R257 WeakPolarHBondContact O-CB 3.34Å; N253-R257 WeakPolarHBondContact O-CG 3.4Å; N253-R257 PolarHBondContact O-N 2.88Å; N253-R257 WeakPolarHBondContact OD1-CD 3.14Å; N253-R257 PolarHBondContact OD1-NH1 3.32Å; N253-R257 VanDerWaalsContact OD1-NH1 3.16Å; R257-E260 WeakPolarHBondContact O-CB 3.37Å; R257-E260 PolarHBondContact O-N 2.8Å
258C98.7Very high97.8Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-58.2-60.9178.9170.20000112.1L186 Y189 L190 I193 E254 F256 E260 A261L186-C258 WeakPolarHBondContact CD2-O 3.47Å; L186-C258 PolarHBondContact O-SG 2.77Å; Y189-C258 HydrophobicContact CD1-CB 4.49Å; L190-C258 HydrophobicContact CB-CB 4.32Å; L190-C258 HydrophobicContact CD1-CB 4Å; I193-C258 HydrophobicContact CD1-CB 4.09Å; E254-C258 VanDerWaalsContact O-CB 3.27Å; E254-C258 WeakPolarHBondContact O-CB 3.35Å; E254-C258 PolarHBondContact O-N 3.12Å; E254-C258 VanDerWaalsContact O-N 3.12Å; F256-C258 PolarHBondContact O-N 2.87Å; C258-E260 PolarHBondContact O-N 3.42Å; C258-A261 WeakPolarHBondContact O-CB 3.26Å; C258-A261 PolarHBondContact O-N 2.94Å; C258-A261 VanDerWaalsContact O-N 3.16Å
259P98.5Very high97.7Very high0 Ų024.3 Ų24.30%014%0.144CC..Hα-helixtrans-69.1-17.3-179.528.5-36.5000113.7C218 Y219 V220 R255 F256 A261 L262 Y307C218-P259 HydrophobicContact CB-CG 4.29Å; Y219-P259 WeakPolarHBondContact O-CG 3.48Å; V220-P259 HydrophobicContact CG2-CB 3.87Å; V220-P259 HydrophobicContact CG2-CG 4.33Å; R255-P259 WeakPolarHBondContact O-CD 3.38Å; F256-P259 WeakPolarHBondContact O-CD 3.35Å; P259-A261 PolarHBondContact O-N 3.26Å; P259-L262 WeakPolarHBondContact O-CB 3.27Å; P259-L262 PolarHBondContact O-N 2.95Å; P259-Y307 HydrophobicContact CB-CD1 4.28Å; P259-Y307 HydrophobicContact CB-CD2 3.78Å; P259-Y307 HydrophobicContact CB-CE1 4.24Å; P259-Y307 HydrophobicContact CB-CE2 3.72Å; P259-Y307 HydrophobicContact CB-CG 4.07Å
260E98.7Very high97.6Very high0 Ų026.6 Ų26.60%016%0.155CC..Hα-helixtrans-57.1-28.1171.2-171.362.9-157.500112F224 F256 R257 C258 L262 F263 Q264 F267 R313F224-E260 HydrophobicContact CB-CG 4.43Å; F224-E260 HydrophobicContact CD1-CG 4.39Å; F224-E260 HydrophobicContact CD2-CB 3.79Å; F224-E260 HydrophobicContact CD2-CG 3.41Å; F224-E260 VanDerWaalsContact CD2-CG 3.41Å; F224-E260 HydrophobicContact CE2-CB 3.78Å; F224-E260 HydrophobicContact CE2-CG 3.67Å; F224-E260 HydrophobicContact CG-CG 3.81Å; F224-E260 HydrophobicContact CZ-CG 4.26Å; F256-E260 WeakPolarHBondContact O-CB 3.48Å; F256-E260 PolarHBondContact O-N 2.94Å; F256-E260 VanDerWaalsContact O-N 3.16Å; R257-E260 WeakPolarHBondContact O-CB 3.37Å; R257-E260 PolarHBondContact O-N 2.8Å; C258-E260 PolarHBondContact O-N 3.42Å; E260-L262 PolarHBondContact O-N 3.06Å; E260-L262 VanDerWaalsContact O-N 3.08Å; E260-F263 CarbonylContact O-C 3.56Å; E260-F263 WeakPolarHBondContact O-CA 3.33Å; E260-F263 PolarHBondContact O-N 3.11Å; E260-Q264 HydrophobicContact CG-CG 4.46Å; E260-Q264 PolarHBondContact O-N 3.25Å; E260-F267 HydrophobicContact CB-CD2 4.32Å; E260-F267 HydrophobicContact CB-CE2 3.97Å; E260-F267 HydrophobicContact CG-CD2 4.29Å; E260-F267 HydrophobicContact CG-CE2 3.65Å; E260-F267 HydrophobicContact CG-CZ 4.33Å; E260-R313 IonicContact OE1-CZ 3.31Å; E260-R313 IonicContact OE1-NH1 3.64Å; E260-R313 PolarHBondContact OE1-NH1 2.9Å; E260-R313 IonicContact OE1-NH2 2.76Å; E260-R313 PolarHBondContact OE1-NH2 3.08Å; E260-R313 IonicContact OE2-CZ 2.77Å; E260-R313 IonicContact OE2-NH1 3.96Å; E260-R313 PolarHBondContact OE2-NH1 3.36Å; E260-R313 IonicContact OE2-NH2 3.88Å
261A98.3Very high97.4Very high0 Ų034.2 Ų34.20%019%0.187CC..THydrogen-bonded Turntrans-57.7-25.3175.900000113.2L181 L186 Y189 C258 P259 F263 Q264 P265 F267 L268L181-A261 WeakPolarHBondContact CD2-O 3.3Å; L186-A261 HydrophobicContact CD2-CB 3.82Å; Y189-A261 HydrophobicContact CD1-CB 3.96Å; Y189-A261 HydrophobicContact CE1-CB 4.03Å; C258-A261 WeakPolarHBondContact O-CB 3.26Å; C258-A261 PolarHBondContact O-N 2.94Å; C258-A261 VanDerWaalsContact O-N 3.16Å; P259-A261 PolarHBondContact O-N 3.26Å; A261-F263 VanDerWaalsContact C-N 3.27Å; A261-F263 PolarHBondContact O-N 3.37Å; A261-Q264 CarbonylContact O-C 3.55Å; A261-Q264 VanDerWaalsContact O-C 3.25Å; A261-Q264 PolarHBondContact O-N 2.83Å; A261-P265 VanDerWaalsContact O-CA 3.31Å; A261-P265 WeakPolarHBondContact O-CA 3.27Å; A261-P265 VanDerWaalsContact O-N 3.11Å; A261-F267 HydrophobicContact CB-CB 4.32Å; A261-L268 HydrophobicContact CB-CD1 3.84Å; A261-L268 HydrophobicContact CB-CG 4.13Å
262L98.5Very high97.3Very high1 Ų136.9 Ų36.91%0.00521%0.206CC..THydrogen-bonded Turntrans-64.6-31.8171.6-69172.7000112.4L181 L186 P259 E260 G274 V275 Y307 I310L181-L262 HydrophobicContact CD2-CD2 4.39Å; L181-L262 HydrophobicContact CG-CD2 4.19Å; L186-L262 HydrophobicContact CD1-CD1 4Å; L186-L262 HydrophobicContact CD1-CD2 4.07Å; L186-L262 HydrophobicContact CD1-CG 3.89Å; L186-L262 HydrophobicContact CD2-CG 4.38Å; P259-L262 WeakPolarHBondContact O-CB 3.27Å; P259-L262 PolarHBondContact O-N 2.95Å; E260-L262 PolarHBondContact O-N 3.06Å; E260-L262 VanDerWaalsContact O-N 3.08Å; L262-G274 CarbonylContact O-C 3.51Å; L262-G274 VanDerWaalsContact O-CA 3.27Å; L262-G274 WeakPolarHBondContact O-CA 3.32Å; L262-V275 HydrophobicContact CB-CG1 4.21Å; L262-V275 HydrophobicContact CB-CG2 4.22Å; L262-V275 HydrophobicContact CD2-CG1 4.28Å; L262-V275 PolarHBondContact O-N 2.93Å; L262-Y307 HydrophobicContact CD1-CD2 4.25Å; L262-Y307 HydrophobicContact CD1-CE2 4.09Å; L262-I310 HydrophobicContact CD1-CD1 4.43Å
263F98.6Very high97.2Very high5 Ų539 Ų392%0.02222%0.22CC..THydrogen-bonded Turntrans-92.5-29.4178.4-64.8-95.6000111.5V220 E260 A261 G274 V275 H276 I310 R313 M314 E317V220-F263 HydrophobicContact CG1-CD2 4.38Å; V220-F263 HydrophobicContact CG1-CE2 3.67Å; V220-F263 HydrophobicContact CG1-CZ 4.11Å; V220-F263 HydrophobicContact CG2-CE2 4.04Å; E260-F263 CarbonylContact O-C 3.56Å; E260-F263 WeakPolarHBondContact O-CA 3.33Å; E260-F263 PolarHBondContact O-N 3.11Å; A261-F263 VanDerWaalsContact C-N 3.27Å; A261-F263 PolarHBondContact O-N 3.37Å; F263-G274 VanDerWaalsContact O-CA 3.31Å; F263-G274 WeakPolarHBondContact O-CA 3.42Å; F263-V275 HydrophobicContact CD1-CG2 4.33Å; F263-V275 HydrophobicContact CE1-CG2 4.07Å; F263-V275 HydrophobicContact CE2-CG2 4.37Å; F263-V275 HydrophobicContact CZ-CG2 4.1Å; F263-H276 HydrophobicContact CD1-CB 4.28Å; F263-H276 AromaticContact CD1-CG 3.95Å; F263-H276 AromaticContact CD1-ND1 3.31Å; F263-H276 VanDerWaalsContact CD1-ND1 3.31Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.44Å; F263-H276 HydrophobicContact CE1-CB 4.26Å; F263-H276 PolarHBondContact O-CE1 3Å; F263-I310 HydrophobicContact CE2-CG1 4.24Å; F263-I310 HydrophobicContact CZ-CG1 4.01Å; F263-R313 HydrophobicContact CD1-CG 3.87Å; F263-R313 HydrophobicContact CE1-CB 4.2Å; F263-R313 HydrophobicContact CE1-CG 3.39Å; F263-R313 HydrophobicContact CE2-CG 4.1Å; F263-R313 HydrophobicContact CG-CG 4.45Å; F263-R313 HydrophobicContact CZ-CB 3.98Å; F263-R313 HydrophobicContact CZ-CG 3.52Å; F263-M314 HydrophobicContact CE1-CG 4.27Å; F263-M314 HydrophobicContact CE1-SD 3.84Å; F263-M314 HydrophobicContact CZ-CG 4.16Å; F263-M314 HydrophobicContact CZ-SD 4.14Å; F263-E317 HydrophobicContact CD1-CG 4.39Å
264Q97.8Very high97.3Very high66 Ų6637.3 Ų37.331%0.30821%0.211SC..  trans-130.377.7178.8-62-174.8-11.500111.1E260 A261 S266 F267E260-Q264 HydrophobicContact CG-CG 4.46Å; E260-Q264 PolarHBondContact O-N 3.25Å; A261-Q264 CarbonylContact O-C 3.55Å; A261-Q264 VanDerWaalsContact O-C 3.25Å; A261-Q264 PolarHBondContact O-N 2.83Å; Q264-S266 PolarHBondContact O-N 2.84Å; Q264-F267 HydrophobicContact CB-CD1 4.42Å; Q264-F267 HydrophobicContact CB-CE1 4.46Å; Q264-F267 WeakPolarHBondContact O-CB 3.38Å; Q264-F267 PolarHBondContact O-N 2.85Å; Q264-F267 VanDerWaalsContact OE1-CE1 3.23Å
265P98.2Very high97.3Very high3 Ų337.1 Ų37.12%0.01921%0.21CC..G310 helixtrans-58.1-17.9-179.4-27.336.8000114.5L181 A261 F267 L268 G269 M270 S272L181-P265 HydrophobicContact CD2-CB 4.06Å; L181-P265 HydrophobicContact CD2-CG 3.96Å; A261-P265 VanDerWaalsContact O-CA 3.31Å; A261-P265 WeakPolarHBondContact O-CA 3.27Å; A261-P265 VanDerWaalsContact O-N 3.11Å; P265-F267 PolarHBondContact O-N 3.42Å; P265-F267 VanDerWaalsContact O-N 3.17Å; P265-L268 WeakPolarHBondContact O-CA 3.47Å; P265-L268 WeakPolarHBondContact O-CB 3.38Å; P265-L268 PolarHBondContact O-N 2.98Å; P265-G269 PolarHBondContact O-N 3.23Å; P265-M270 CarbonylContact C-O 3.25Å; P265-M270 HydrophobicContact CB-CB 3.8Å; P265-M270 HydrophobicContact CB-SD 4.34Å; P265-M270 WeakPolarHBondContact O-CB 3.28Å; P265-M270 PolarHBondContact O-N 3.42Å; P265-M270 VanDerWaalsContact O-N 3.14Å; P265-S272 WeakPolarHBondContact CG-O 3.32Å
266S97Very high97.3Very high80 Ų8036.3 Ų36.356%0.55921%0.208SC*.G310 helixtrans-58.3-23.4172.157.60000113.7Q264 L268 G269 M270Q264-S266 PolarHBondContact O-N 2.84Å; S266-L268 PolarHBondContact O-N 3.13Å; S266-G269 PolarHBondContact O-N 3.28Å; S266-M270 PolarHBondContact N-O 2.84Å
267F94.5Very high97.3Very high59 Ų5939.8 Ų39.826%0.25922%0.224SC..G310 helixtrans-61.8-24.8171.7-76.86.4000112.8Y189 F224 E260 A261 Q264 P265Y189-F267 HydrophobicContact CE1-CB 4.31Å; Y189-F267 HydrophobicContact CE1-CD2 4.45Å; F224-F267 HydrophobicContact CE1-CE2 4.14Å; F224-F267 AromaticContact CE1-CZ 3.77Å; F224-F267 HydrophobicContact CE1-CZ 3.77Å; F224-F267 HydrophobicContact CE2-CE2 4.15Å; F224-F267 AromaticContact CZ-CE2 3.66Å; F224-F267 HydrophobicContact CZ-CE2 3.66Å; F224-F267 AromaticContact CZ-CZ 3.75Å; F224-F267 HydrophobicContact CZ-CZ 3.75Å; E260-F267 HydrophobicContact CB-CD2 4.32Å; E260-F267 HydrophobicContact CB-CE2 3.97Å; E260-F267 HydrophobicContact CG-CD2 4.29Å; E260-F267 HydrophobicContact CG-CE2 3.65Å; E260-F267 HydrophobicContact CG-CZ 4.33Å; A261-F267 HydrophobicContact CB-CB 4.32Å; Q264-F267 HydrophobicContact CB-CD1 4.42Å; Q264-F267 HydrophobicContact CB-CE1 4.46Å; Q264-F267 WeakPolarHBondContact O-CB 3.38Å; Q264-F267 PolarHBondContact O-N 2.85Å; Q264-F267 VanDerWaalsContact OE1-CE1 3.23Å; P265-F267 PolarHBondContact O-N 3.42Å; P265-F267 VanDerWaalsContact O-N 3.17Å
268L95.8Very high97.3Very high55 Ų5538.1 Ų38.129%0.28822%0.219SC..G310 helixtrans-97.14173.9-73.5169000112.9L181 D185 Y189 A261 P265 S266 M270L181-L268 HydrophobicContact CD1-CD1 3.24Å; L181-L268 HydrophobicContact CD2-CD1 4.37Å; L181-L268 HydrophobicContact CG-CD1 4.43Å; D185-L268 HydrophobicContact CB-CD1 4.4Å; Y189-L268 HydrophobicContact CD1-CD2 4.4Å; Y189-L268 HydrophobicContact CD2-CD2 3.86Å; Y189-L268 HydrophobicContact CG-CD2 3.67Å; Y189-L268 HydrophobicContact CG-CG 4.35Å; A261-L268 HydrophobicContact CB-CD1 3.84Å; A261-L268 HydrophobicContact CB-CG 4.13Å; P265-L268 WeakPolarHBondContact O-CA 3.47Å; P265-L268 WeakPolarHBondContact O-CB 3.38Å; P265-L268 PolarHBondContact O-N 2.98Å; S266-L268 PolarHBondContact O-N 3.13Å; L268-M270 VanDerWaalsContact C-N 3.28Å; L268-M270 HydrophobicContact CB-CG 4.04Å; L268-M270 HydrophobicContact CB-SD 4.22Å; L268-M270 HydrophobicContact CD1-SD 4.42Å
269G95.3Very high97.3Very high68 Ų6838.1 Ų38.170%0.70122%0.219SC*.THydrogen-bonded Turntrans72.919.4-173.400000113.6P265 S266P265-G269 PolarHBondContact O-N 3.23Å; S266-G269 PolarHBondContact O-N 3.28Å
270M95Very high97.3Very high49 Ų4940.8 Ų40.824%0.24123%0.23CC..  trans-90.9133.5177.9-58.2176.273.600111L179 D180 L181 P265 S266 L268 S272L179-M270 HydrophobicContact CD1-CE 4.48Å; D180-M270 VanDerWaalsContact O-CE 3.27Å; D180-M270 WeakPolarHBondContact O-CE 3.28Å; L181-M270 HydrophobicContact CB-CE 4.07Å; L181-M270 HydrophobicContact CB-SD 4.04Å; L181-M270 HydrophobicContact CD1-SD 4.33Å; L181-M270 HydrophobicContact CD2-SD 4.36Å; L181-M270 HydrophobicContact CG-SD 4.47Å; P265-M270 CarbonylContact C-O 3.25Å; P265-M270 HydrophobicContact CB-CB 3.8Å; P265-M270 HydrophobicContact CB-SD 4.34Å; P265-M270 WeakPolarHBondContact O-CB 3.28Å; P265-M270 PolarHBondContact O-N 3.42Å; P265-M270 VanDerWaalsContact O-N 3.14Å; S266-M270 PolarHBondContact N-O 2.84Å; L268-M270 VanDerWaalsContact C-N 3.28Å; L268-M270 HydrophobicContact CB-CG 4.04Å; L268-M270 HydrophobicContact CB-SD 4.22Å; L268-M270 HydrophobicContact CD1-SD 4.42Å; M270-S272 VanDerWaalsContact C-N 3.27Å; M270-S272 PolarHBondContact O-N 2.91Å
271E94.1Very high97.3Very high204 Ų20443.5 Ų43.595%0.95324%0.244SC*.  trans-89.260.3173.1-63.6-174.8171.100111
272S94.7Very high97.3Very high57 Ų5743.5 Ų43.540%0.39924%0.244SC..SBendtrans-132151.4-178.2-59.30000111.1L179 P265 M270L179-S272 VanDerWaalsContact CD1-CB 3.47Å; P265-S272 WeakPolarHBondContact CG-O 3.32Å; M270-S272 VanDerWaalsContact C-N 3.27Å; M270-S272 PolarHBondContact O-N 2.91Å
273C97.3Very high97.3Very high48 Ų4843.5 Ų43.532%0.32424%0.244SC..  trans-64.1149.3169.6-710000111.7E277 T278C273-E277 HydrophobicContact CB-CB 3.8Å; C273-E277 WeakPolarHBondContact CB-OE2 3.48Å; C273-E277 PolarHBondContact SG-OE2 3.01Å; C273-T278 PolarHBondContact O-OG1 3.27Å
274G98.4Very high97.3Very high2 Ų245.6 Ų45.62%0.02126%0.255CS..  trans-65.4169.3169.700000113.2L262 F263 H276 E277 T278L262-G274 CarbonylContact O-C 3.51Å; L262-G274 VanDerWaalsContact O-CA 3.27Å; L262-G274 WeakPolarHBondContact O-CA 3.32Å; F263-G274 VanDerWaalsContact O-CA 3.31Å; F263-G274 WeakPolarHBondContact O-CA 3.42Å; G274-H276 VanDerWaalsContact C-N 3.28Å; G274-H276 PolarHBondContact O-N 2.84Å; G274-E277 PolarHBondContact O-N 2.91Å; G274-T278 VanDerWaalsContact O-CB 3.29Å; G274-T278 WeakPolarHBondContact O-CB 3.33Å; G274-T278 PolarHBondContact O-N 2.84Å; G274-T278 PolarHBondContact O-OG1 3.4Å
275V98.6Very high97.3Very high2 Ų247.7 Ų47.71%0.01226%0.263CS..Hα-helixtrans-61.7-32.4-177.6-67.60000113.8L154 T161 L179 L262 F263 T279 M314L154-V275 HydrophobicContact CD1-CB 4.12Å; L154-V275 HydrophobicContact CD1-CG1 4.27Å; L154-V275 HydrophobicContact CD2-CB 3.93Å; L154-V275 HydrophobicContact CD2-CG2 4.23Å; T161-V275 HydrophobicContact CG2-CG1 4.01Å; L179-V275 HydrophobicContact CD2-CG1 4.21Å; L262-V275 HydrophobicContact CB-CG1 4.21Å; L262-V275 HydrophobicContact CB-CG2 4.22Å; L262-V275 HydrophobicContact CD2-CG1 4.28Å; L262-V275 PolarHBondContact O-N 2.93Å; F263-V275 HydrophobicContact CD1-CG2 4.33Å; F263-V275 HydrophobicContact CE1-CG2 4.07Å; F263-V275 HydrophobicContact CE2-CG2 4.37Å; F263-V275 HydrophobicContact CZ-CG2 4.1Å; V275-T279 VanDerWaalsContact O-CB 3.31Å; V275-T279 WeakPolarHBondContact O-CB 3.34Å; V275-T279 PolarHBondContact O-N 3.29Å; V275-T279 PolarHBondContact O-OG1 3.05Å; V275-M314 HydrophobicContact CG2-SD 3.84Å
276H98.5Very high97.3Very high15 Ų1547.6 Ų47.67%0.06926%0.262CS..Hα-helixtrans-68.8-50.3177.260.2-70.7000111.6F263 G274 T279 Y280 M314 E317 I318F263-H276 HydrophobicContact CD1-CB 4.28Å; F263-H276 AromaticContact CD1-CG 3.95Å; F263-H276 AromaticContact CD1-ND1 3.31Å; F263-H276 VanDerWaalsContact CD1-ND1 3.31Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.44Å; F263-H276 HydrophobicContact CE1-CB 4.26Å; F263-H276 PolarHBondContact O-CE1 3Å; G274-H276 VanDerWaalsContact C-N 3.28Å; G274-H276 PolarHBondContact O-N 2.84Å; H276-T279 PolarHBondContact O-N 3.14Å; H276-Y280 PolarHBondContact O-N 3.46Å; H276-M314 HydrophobicContact CB-SD 3.85Å; H276-E317 HydrophobicContact CB-CB 3.66Å; H276-E317 HydrophobicContact CB-CG 4.31Å; H276-I318 HydrophobicContact CB-CG1 4.49Å
277E98.4Very high97.3Very high73 Ų7349.3 Ų49.334%0.34127%0.265SS..Hα-helixtrans-63.1-41.7173.6-79.6177.2-163.800111.9C273 G274 T279 Y280 N281 L321C273-E277 HydrophobicContact CB-CB 3.8Å; C273-E277 WeakPolarHBondContact CB-OE2 3.48Å; C273-E277 PolarHBondContact SG-OE2 3.01Å; G274-E277 PolarHBondContact O-N 2.91Å; E277-T279 VanDerWaalsContact C-N 3.31Å; E277-T279 PolarHBondContact O-N 3.01Å; E277-Y280 WeakPolarHBondContact O-CB 3.42Å; E277-Y280 PolarHBondContact O-N 2.79Å; E277-N281 VanDerWaalsContact O-CB 3.28Å; E277-N281 WeakPolarHBondContact O-CB 3.44Å; E277-N281 PolarHBondContact O-N 3.09Å; E277-N281 PolarHBondContact O-ND2 3.07Å; E277-L321 HydrophobicContact CG-CD1 3.93Å
278T98.6Very high97.3Very high13 Ų1352.2 Ų52.28%0.0828%0.282CS..Hα-helixtrans-60.6-43.6176.7-59.10000110.4T163 L177 C273 G274 N281 S282T163-T278 HydrophobicContact CG2-CG2 3.86Å; L177-T278 HydrophobicContact CB-CG2 3.71Å; L177-T278 HydrophobicContact CD1-CG2 3.95Å; L177-T278 WeakPolarHBondContact CD1-O 3.21Å; L177-T278 HydrophobicContact CG-CG2 4.47Å; C273-T278 PolarHBondContact O-OG1 3.27Å; G274-T278 VanDerWaalsContact O-CB 3.29Å; G274-T278 WeakPolarHBondContact O-CB 3.33Å; G274-T278 PolarHBondContact O-N 2.84Å; G274-T278 PolarHBondContact O-OG1 3.4Å; T278-N281 PolarHBondContact O-N 2.91Å; T278-S282 WeakPolarHBondContact O-CB 3.48Å; T278-S282 PolarHBondContact O-N 3.5Å
279T98.7Very high97.3Very high0 Ų056.3 Ų56.30%030%0.304CS..Hα-helixtrans-64.1-45.8176.2-58.60000111I152 T163 V275 H276 E277 N281 S282 I283 T298 I318I152-T279 HydrophobicContact CD1-CG2 4.02Å; I152-T279 HydrophobicContact CG2-CG2 4.25Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.39Å; V275-T279 VanDerWaalsContact O-CB 3.31Å; V275-T279 WeakPolarHBondContact O-CB 3.34Å; V275-T279 PolarHBondContact O-N 3.29Å; V275-T279 PolarHBondContact O-OG1 3.05Å; H276-T279 PolarHBondContact O-N 3.14Å; E277-T279 VanDerWaalsContact C-N 3.31Å; E277-T279 PolarHBondContact O-N 3.01Å; T279-N281 PolarHBondContact O-N 2.94Å; T279-S282 WeakPolarHBondContact O-CB 3.25Å; T279-S282 PolarHBondContact O-N 2.91Å; T279-I283 HydrophobicContact CG2-CD1 4.43Å; T279-I283 WeakPolarHBondContact O-CG1 3.34Å; T279-I283 PolarHBondContact O-N 3.11Å; T279-I283 VanDerWaalsContact O-N 3.11Å; T279-T298 HydrophobicContact CG2-CG2 4.09Å; T279-I318 HydrophobicContact CG2-CD1 3.79Å
280Y98.5Very high97.4Very high56 Ų5654 Ų5422%0.2228%0.276CS..Hα-helixtrans-57.8-47.4174.6168-94.6000112.2H276 E277 S282 I283 M284 Y295 L321H276-Y280 PolarHBondContact O-N 3.46Å; E277-Y280 WeakPolarHBondContact O-CB 3.42Å; E277-Y280 PolarHBondContact O-N 2.79Å; Y280-S282 VanDerWaalsContact C-N 3.31Å; Y280-S282 PolarHBondContact O-N 3.32Å; Y280-I283 PolarHBondContact O-N 2.92Å; Y280-M284 HydrophobicContact CD1-CG 4.21Å; Y280-M284 HydrophobicContact CD2-CG 4.37Å; Y280-M284 HydrophobicContact CE1-CG 3.68Å; Y280-M284 HydrophobicContact CE2-CE 3.75Å; Y280-M284 HydrophobicContact CE2-CG 3.86Å; Y280-M284 HydrophobicContact CE2-SD 4.34Å; Y280-M284 VanDerWaalsContact CZ-CG 3.47Å; Y280-M284 WeakPolarHBondContact O-CG 3.48Å; Y280-M284 PolarHBondContact O-N 3.06Å; Y280-Y295 HydrophobicContact CD2-CE1 4.44Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.49Å; Y280-Y295 VanDerWaalsContact CE2-OH 3.28Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.44Å; Y280-L321 HydrophobicContact CD2-CB 3.67Å; Y280-L321 HydrophobicContact CE2-CB 4.06Å; Y280-L321 VanDerWaalsContact CE2-O 3.28Å; Y280-L321 WeakPolarHBondContact CE2-O 3.22Å; Y280-L321 HydrophobicContact CG-CB 3.96Å; Y280-L321 HydrophobicContact CG-CD1 4.14Å
281N98.5Very high97.6Very high58 Ų5854.3 Ų54.331%0.3127%0.274SS..Hα-helixtrans-63.4-37.7-179.9-73.1-26.6000111.8L177 E277 T278 T279 M284 K285L177-N281 HydrophobicContact CD1-CB 3.78Å; E277-N281 VanDerWaalsContact O-CB 3.28Å; E277-N281 WeakPolarHBondContact O-CB 3.44Å; E277-N281 PolarHBondContact O-N 3.09Å; E277-N281 PolarHBondContact O-ND2 3.07Å; T278-N281 PolarHBondContact O-N 2.91Å; T279-N281 PolarHBondContact O-N 2.94Å; N281-M284 PolarHBondContact O-N 3.29Å; N281-K285 WeakPolarHBondContact O-CG 3.39Å; N281-K285 PolarHBondContact O-N 3.06Å
282S98.6Very high97.7Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-62-45.1173.51780000111.6I152 T163 P165 A175 T278 T279 Y280 M284 K285 C286I152-S282 WeakPolarHBondContact CD1-OG 3.42Å; T163-S282 WeakPolarHBondContact OG1-CB 3.44Å; P165-S282 VanDerWaalsContact CD-OG 3.32Å; P165-S282 WeakPolarHBondContact CD-OG 3.31Å; P165-S282 WeakPolarHBondContact CG-OG 3.29Å; A175-S282 WeakPolarHBondContact O-CB 3.3Å; A175-S282 PolarHBondContact O-OG 3.14Å; T278-S282 WeakPolarHBondContact O-CB 3.48Å; T278-S282 PolarHBondContact O-N 3.5Å; T279-S282 WeakPolarHBondContact O-CB 3.25Å; T279-S282 PolarHBondContact O-N 2.91Å; Y280-S282 VanDerWaalsContact C-N 3.31Å; Y280-S282 PolarHBondContact O-N 3.32Å; S282-M284 VanDerWaalsContact C-N 3.32Å; S282-M284 PolarHBondContact O-N 2.91Å; S282-K285 PolarHBondContact O-N 3.36Å; S282-C286 PolarHBondContact O-SG 3.1Å
283I98.5Very high97.9Very high0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-63.3-39.2174.3-61.5169.4000111.1I152 T279 Y280 K285 C286 R291 L294 Y295I152-I283 HydrophobicContact CD1-CD1 4.42Å; I152-I283 HydrophobicContact CD1-CG1 3.69Å; I152-I283 HydrophobicContact CG2-CD1 4.05Å; I152-I283 HydrophobicContact CG2-CG1 4.22Å; T279-I283 HydrophobicContact CG2-CD1 4.43Å; T279-I283 WeakPolarHBondContact O-CG1 3.34Å; T279-I283 PolarHBondContact O-N 3.11Å; T279-I283 VanDerWaalsContact O-N 3.11Å; Y280-I283 PolarHBondContact O-N 2.92Å; I283-K285 PolarHBondContact O-N 3.46Å; I283-C286 VanDerWaalsContact O-CB 3.28Å; I283-C286 WeakPolarHBondContact O-CB 3.47Å; I283-C286 PolarHBondContact O-N 3.14Å; I283-R291 HydrophobicContact CG2-CB 3.87Å; I283-R291 HydrophobicContact CG2-CG 3.86Å; I283-R291 PolarHBondContact O-NE 3.47Å; I283-L294 HydrophobicContact CD1-CB 4.4Å; I283-L294 HydrophobicContact CG1-CB 4.08Å; I283-L294 HydrophobicContact CG1-CD1 4.43Å; I283-L294 HydrophobicContact CG2-CB 4.23Å; I283-L294 HydrophobicContact CG2-CD1 4.29Å; I283-Y295 HydrophobicContact CB-CE1 4.39Å; I283-Y295 HydrophobicContact CD1-CD1 3.41Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.41Å; I283-Y295 HydrophobicContact CD1-CE1 3.41Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.41Å; I283-Y295 HydrophobicContact CD1-CG 4.12Å; I283-Y295 HydrophobicContact CG2-CD1 4.46Å; I283-Y295 HydrophobicContact CG2-CD2 4.09Å; I283-Y295 HydrophobicContact CG2-CE1 4.1Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.45Å
284M97.8Very high97.9Very high49 Ų4949.4 Ų49.424%0.24124%0.24CC..Hα-helixtrans-67.9-21.5178.4-75.8-64.8131.100114Y280 N281 S282 C286 R291 Y295Y280-M284 HydrophobicContact CD1-CG 4.21Å; Y280-M284 HydrophobicContact CD2-CG 4.37Å; Y280-M284 HydrophobicContact CE1-CG 3.68Å; Y280-M284 HydrophobicContact CE2-CE 3.75Å; Y280-M284 HydrophobicContact CE2-CG 3.86Å; Y280-M284 HydrophobicContact CE2-SD 4.34Å; Y280-M284 VanDerWaalsContact CZ-CG 3.47Å; Y280-M284 WeakPolarHBondContact O-CG 3.48Å; Y280-M284 PolarHBondContact O-N 3.06Å; N281-M284 PolarHBondContact O-N 3.29Å; S282-M284 VanDerWaalsContact C-N 3.32Å; S282-M284 PolarHBondContact O-N 2.91Å; M284-C286 VanDerWaalsContact C-N 3.29Å; M284-R291 PolarHBondContact O-NH2 3.48Å; M284-R291 PolarHBondContact SD-NH1 2.93Å; M284-Y295 HydrophobicContact CE-CE2 4.15Å; M284-Y295 WeakPolarHBondContact CE-OH 3.35Å
285K98.3Very high97.9Very high110 Ų11049.3 Ų49.348%0.47824%0.239SC..THydrogen-bonded Turntrans-77.9-14.6171-73.8-177.4175.5-165.40113.4A175 L177 N281 S282 I283A175-K285 HydrophobicContact CB-CB 3.72Å; L177-K285 HydrophobicContact CD2-CD 4.02Å; N281-K285 WeakPolarHBondContact O-CG 3.39Å; N281-K285 PolarHBondContact O-N 3.06Å; S282-K285 PolarHBondContact O-N 3.36Å; I283-K285 PolarHBondContact O-N 3.46Å
286C97.9Very high97.9Very high1 Ų150.5 Ų50.51%0.00725%0.249CC..SBendtrans-85.1159.9178.4-60.10000111.7A175 S282 I283 M284 I290 R291 L294A175-C286 VanDerWaalsContact CB-SG 3.56Å; S282-C286 PolarHBondContact O-SG 3.1Å; I283-C286 VanDerWaalsContact O-CB 3.28Å; I283-C286 WeakPolarHBondContact O-CB 3.47Å; I283-C286 PolarHBondContact O-N 3.14Å; M284-C286 VanDerWaalsContact C-N 3.29Å; C286-I290 HydrophobicContact CB-CD1 3.95Å; C286-I290 HydrophobicContact CB-CG1 4.08Å; C286-R291 VanDerWaalsContact O-CZ 3.29Å; C286-R291 PolarHBondContact O-NE 2.91Å; C286-R291 PolarHBondContact O-NH2 3.04Å; C286-L294 HydrophobicContact CB-CD1 3.74Å; C286-L294 VanDerWaalsContact SG-CD1 3.56Å
287D96.7Very high97.8Very high116 Ų11651.3 Ų51.362%0.6225%0.254SS*.  trans-60143.6175.4-68.1-41.2000112.1D289 I290 R291D287-D289 PolarHBondContact O-N 2.84Å; D287-D289 VanDerWaalsContact O-N 3.15Å; D287-I290 VanDerWaalsContact O-CG1 3.3Å; D287-I290 WeakPolarHBondContact O-CG1 3.44Å; D287-I290 PolarHBondContact O-N 3.03Å; D287-R291 WeakPolarHBondContact O-CG 3.42Å; D287-R291 PolarHBondContact O-N 3.21Å
288I95.8Very high97.9Very high120 Ų12047.8 Ų47.862%0.61524%0.238SC*.Hα-helixtrans-56.6-34.8-173.7-166.9167.8000112.9I290 R291I288-I290 VanDerWaalsContact C-N 3.29Å; I288-I290 PolarHBondContact O-N 3.09Å; I288-R291 PolarHBondContact O-N 3.35Å
289D96Very high97.9Very high141 Ų14147.2 Ų47.275%0.75423%0.234SC*.Hα-helixtrans-66.6-29.5-175-65.2-21.1000112.7D287D287-D289 PolarHBondContact O-N 2.84Å; D287-D289 VanDerWaalsContact O-N 3.15Å
290I97Very high97.9Very high20 Ų2047.2 Ų47.210%0.10323%0.234CC..Hα-helixtrans-96.9-14.6-177.668166.3000113.2Y167 L172 C286 D287 I288 K292 D293 L294Y167-I290 HydrophobicContact CD2-CB 3.98Å; Y167-I290 HydrophobicContact CD2-CD1 4.32Å; Y167-I290 HydrophobicContact CD2-CG2 3.55Å; Y167-I290 HydrophobicContact CE2-CB 4.21Å; Y167-I290 HydrophobicContact CE2-CG2 3.44Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.44Å; Y167-I290 HydrophobicContact CG-CD1 4.49Å; Y167-I290 HydrophobicContact CG-CG2 4.32Å; L172-I290 HydrophobicContact CD1-CD1 3.48Å; L172-I290 VanDerWaalsContact CD1-CD1 3.48Å; C286-I290 HydrophobicContact CB-CD1 3.95Å; C286-I290 HydrophobicContact CB-CG1 4.08Å; D287-I290 VanDerWaalsContact O-CG1 3.3Å; D287-I290 WeakPolarHBondContact O-CG1 3.44Å; D287-I290 PolarHBondContact O-N 3.03Å; I288-I290 VanDerWaalsContact C-N 3.29Å; I288-I290 PolarHBondContact O-N 3.09Å; I290-K292 PolarHBondContact O-N 2.75Å; I290-D293 PolarHBondContact O-N 3.5Å; I290-L294 HydrophobicContact CD1-CD1 4.18Å; I290-L294 HydrophobicContact CG1-CD1 4.24Å; I290-L294 WeakPolarHBondContact O-CG 3.49Å; I290-L294 PolarHBondContact O-N 3.03Å
291R98Very high97.9Very high55 Ų5544.5 Ų44.521%0.20822%0.223CC..Hα-helixtrans-57.9-36.7-175.6-64.5-174.9-170176.81.2112.9I283 M284 C286 D287 I288 D293 L294 Y295I283-R291 HydrophobicContact CG2-CB 3.87Å; I283-R291 HydrophobicContact CG2-CG 3.86Å; I283-R291 PolarHBondContact O-NE 3.47Å; M284-R291 PolarHBondContact O-NH2 3.48Å; M284-R291 PolarHBondContact SD-NH1 2.93Å; C286-R291 VanDerWaalsContact O-CZ 3.29Å; C286-R291 PolarHBondContact O-NE 2.91Å; C286-R291 PolarHBondContact O-NH2 3.04Å; D287-R291 WeakPolarHBondContact O-CG 3.42Å; D287-R291 PolarHBondContact O-N 3.21Å; I288-R291 PolarHBondContact O-N 3.35Å; R291-D293 VanDerWaalsContact C-N 3.29Å; R291-D293 PolarHBondContact O-N 3.16Å; R291-L294 PolarHBondContact O-N 3.22Å; R291-Y295 HydrophobicContact CB-CD2 4.35Å; R291-Y295 HydrophobicContact CB-CE2 4.3Å; R291-Y295 WeakPolarHBondContact O-CB 3.38Å; R291-Y295 WeakPolarHBondContact O-CD2 3.35Å; R291-Y295 PolarHBondContact O-N 3.12Å
292K97.5Very high97.8Very high138 Ų13842.2 Ų42.260%0.621%0.213SC*.Hα-helixtrans-57.4-44.7177-179.9-172.8172.5-169.40111.2I290 A296 M326I290-K292 PolarHBondContact O-N 2.75Å; K292-A296 WeakPolarHBondContact O-CB 3.47Å; K292-A296 PolarHBondContact O-N 3.06Å; K292-A296 VanDerWaalsContact O-N 3.09Å; K292-M326 HydrophobicContact CB-SD 4.14Å
293D97.6Very high97.7Very high69 Ų6944.4 Ų44.437%0.36924%0.236SC..Hα-helixtrans-73.6-35.5-179.4-64.1-37.3000111.7T150 I290 R291 A296 N297T150-D293 HydrophobicContact CG2-CB 3.86Å; I290-D293 PolarHBondContact O-N 3.5Å; R291-D293 VanDerWaalsContact C-N 3.29Å; R291-D293 PolarHBondContact O-N 3.16Å; D293-A296 PolarHBondContact O-N 2.83Å; D293-N297 WeakPolarHBondContact O-CB 3.3Å; D293-N297 PolarHBondContact O-N 3.02Å; D293-N297 VanDerWaalsContact O-N 3.16Å; D293-N297 PolarHBondContact O-ND2 2.79Å
294L98.3Very high97.7Very high0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-62.5-48.5173.5-60.6-179.1000111.3G151 P165 I283 C286 I290 R291 A296 N297 T298G151-L294 VanDerWaalsContact C-CD2 3.46Å; G151-L294 VanDerWaalsContact O-CD2 3.3Å; G151-L294 WeakPolarHBondContact O-CD2 3.41Å; P165-L294 HydrophobicContact CB-CD1 4.05Å; P165-L294 HydrophobicContact CB-CD2 4.29Å; I283-L294 HydrophobicContact CD1-CB 4.4Å; I283-L294 HydrophobicContact CG1-CB 4.08Å; I283-L294 HydrophobicContact CG1-CD1 4.43Å; I283-L294 HydrophobicContact CG2-CB 4.23Å; I283-L294 HydrophobicContact CG2-CD1 4.29Å; C286-L294 HydrophobicContact CB-CD1 3.74Å; C286-L294 VanDerWaalsContact SG-CD1 3.56Å; I290-L294 HydrophobicContact CD1-CD1 4.18Å; I290-L294 HydrophobicContact CG1-CD1 4.24Å; I290-L294 WeakPolarHBondContact O-CG 3.49Å; I290-L294 PolarHBondContact O-N 3.03Å; R291-L294 PolarHBondContact O-N 3.22Å; L294-A296 VanDerWaalsContact C-N 3.32Å; L294-A296 PolarHBondContact O-N 3.12Å; L294-N297 CarbonylContact O-C 3.5Å; L294-N297 VanDerWaalsContact O-C 3.29Å; L294-N297 PolarHBondContact O-N 3.27Å; L294-N297 VanDerWaalsContact O-N 3.11Å; L294-T298 PolarHBondContact O-N 3.49Å
295Y98.3Very high97.8Very high0 Ų042.4 Ų42.40%023%0.226CC..Hα-helixtrans-62.4-36.1176.9-81-52.6000113.7Y280 I283 M284 R291 N297 I318 A322 M326 K327 I328 K329Y280-Y295 HydrophobicContact CD2-CE1 4.44Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.49Å; Y280-Y295 VanDerWaalsContact CE2-OH 3.28Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.44Å; I283-Y295 HydrophobicContact CB-CE1 4.39Å; I283-Y295 HydrophobicContact CD1-CD1 3.41Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.41Å; I283-Y295 HydrophobicContact CD1-CE1 3.41Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.41Å; I283-Y295 HydrophobicContact CD1-CG 4.12Å; I283-Y295 HydrophobicContact CG2-CD1 4.46Å; I283-Y295 HydrophobicContact CG2-CD2 4.09Å; I283-Y295 HydrophobicContact CG2-CE1 4.1Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.45Å; M284-Y295 HydrophobicContact CE-CE2 4.15Å; M284-Y295 WeakPolarHBondContact CE-OH 3.35Å; R291-Y295 HydrophobicContact CB-CD2 4.35Å; R291-Y295 HydrophobicContact CB-CE2 4.3Å; R291-Y295 WeakPolarHBondContact O-CB 3.38Å; R291-Y295 WeakPolarHBondContact O-CD2 3.35Å; R291-Y295 PolarHBondContact O-N 3.12Å; Y295-N297 PolarHBondContact O-N 3.5Å; Y295-I318 HydrophobicContact CD1-CG2 3.93Å; Y295-I318 HydrophobicContact CE1-CG2 3.9Å; Y295-A322 HydrophobicContact CD1-CB 4.27Å; Y295-A322 HydrophobicContact CE1-CB 3.71Å; Y295-A322 HydrophobicContact CE2-CB 4.26Å; Y295-M326 HydrophobicContact CD2-CB 3.93Å; Y295-M326 HydrophobicContact CD2-CG 3.72Å; Y295-M326 HydrophobicContact CD2-SD 4.04Å; Y295-M326 HydrophobicContact CE2-CB 4.44Å; Y295-M326 HydrophobicContact CE2-CG 3.96Å; Y295-M326 HydrophobicContact CG-CB 4.38Å; Y295-K327 CarbonylContact C-O 3.52Å; Y295-I328 HydrophobicContact CD1-CD1 3.4Å; Y295-I328 VanDerWaalsContact CD1-CD1 3.4Å; Y295-I328 HydrophobicContact CD2-CD1 4.38Å; Y295-I328 HydrophobicContact CE1-CD1 4.13Å; Y295-I328 HydrophobicContact CG-CD1 3.55Å; Y295-I328 WeakPolarHBondContact O-CA 3.47Å; Y295-K329 PolarHBondContact O-N 3.21Å
296A97.8Very high97.8Very high26 Ų2640.1 Ų40.122%0.21522%0.218CC..THydrogen-bonded Turntrans-77.1-7.417800000113.3K292 D293 L294 K329K292-A296 WeakPolarHBondContact O-CB 3.47Å; K292-A296 PolarHBondContact O-N 3.06Å; K292-A296 VanDerWaalsContact O-N 3.09Å; D293-A296 PolarHBondContact O-N 2.83Å; L294-A296 VanDerWaalsContact C-N 3.32Å; L294-A296 PolarHBondContact O-N 3.12Å; A296-K329 WeakPolarHBondContact O-CB 3.35Å
297N98.1Very high97.8Very high32 Ų3240.8 Ų40.817%0.17122%0.221CC..THydrogen-bonded Turntrans-140.654-175.9-61.2-68.7000112.1R148 G151 I152 D293 L294 Y295 V299 I331R148-N297 WeakPolarHBondContact CD-OD1 3.5Å; R148-N297 PolarHBondContact NE-OD1 2.63Å; G151-N297 WeakPolarHBondContact CA-O 3.07Å; I152-N297 PolarHBondContact N-O 3.14Å; D293-N297 WeakPolarHBondContact O-CB 3.3Å; D293-N297 PolarHBondContact O-N 3.02Å; D293-N297 VanDerWaalsContact O-N 3.16Å; D293-N297 PolarHBondContact O-ND2 2.79Å; L294-N297 CarbonylContact O-C 3.5Å; L294-N297 VanDerWaalsContact O-C 3.29Å; L294-N297 PolarHBondContact O-N 3.27Å; L294-N297 VanDerWaalsContact O-N 3.11Å; Y295-N297 PolarHBondContact O-N 3.5Å; N297-V299 PolarHBondContact O-N 2.74Å; N297-I331 HydrophobicContact CB-CD1 4.33Å
298T98.7Very high97.9Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-82106.1170.9-580000109.7I152 T279 L294 I318 K329 I330 I331I152-T298 HydrophobicContact CG2-CG2 4.13Å; I152-T298 CarbonylContact O-C 3.52Å; I152-T298 WeakPolarHBondContact O-CA 3.35Å; T279-T298 HydrophobicContact CG2-CG2 4.09Å; L294-T298 PolarHBondContact O-N 3.49Å; T298-I318 HydrophobicContact CG2-CD1 4.38Å; T298-K329 PolarHBondContact N-O 3.43Å; T298-I330 HydrophobicContact CG2-CD1 3.78Å; T298-I330 CarbonylContact O-C 3.15Å; T298-I330 WeakPolarHBondContact O-CA 3.28Å; T298-I331 PolarHBondContact O-N 3.48Å
299V98.8Very high98Very high0 Ų034.9 Ų34.90%020%0.201CC..EExtended strand (participates in β ladder)trans-97.7130.3-178.7-178.50000110.6L143 I152 V153 L154 N297 I331L143-V299 HydrophobicContact CD1-CG2 3.8Å; I152-V299 PolarHBondContact O-N 3.38Å; V153-V299 CarbonylContact C-O 3.29Å; V153-V299 WeakPolarHBondContact CA-O 3.43Å; V153-V299 HydrophobicContact CG2-CB 4.24Å; L154-V299 PolarHBondContact N-O 3.4Å; N297-V299 PolarHBondContact O-N 2.74Å; V299-I331 WeakPolarHBondContact CA-O 3.25Å; V299-I331 HydrophobicContact CG2-CB 4.1Å; V299-I331 HydrophobicContact CG2-CD1 3.9Å; V299-I331 HydrophobicContact CG2-CG2 4.33Å
300L98.8Very high98.1Very high0 Ų028.3 Ų28.30%017%0.166CC..EExtended strand (participates in β ladder)trans-90.6131.6173.3-56.3-168.6000110.3L154 T305 I310 A311 I330 I331 A332 R336L154-L300 HydrophobicContact CB-CD2 3.98Å; L154-L300 HydrophobicContact CD2-CD2 3.94Å; L154-L300 HydrophobicContact CG-CD2 4.38Å; L300-T305 HydrophobicContact CB-CG2 4.34Å; L300-I310 HydrophobicContact CD1-CG2 3.96Å; L300-A311 HydrophobicContact CD1-CB 4.21Å; L300-I330 HydrophobicContact CD1-CG2 3.8Å; L300-I330 HydrophobicContact CD2-CG2 4.09Å; L300-I330 HydrophobicContact CG-CG2 3.73Å; L300-I331 PolarHBondContact N-O 3.08Å; L300-A332 HydrophobicContact CB-CB 4.33Å; L300-A332 HydrophobicContact CD1-CB 3.98Å; L300-A332 HydrophobicContact CG-CB 4.32Å; L300-R336 WeakPolarHBondContact O-CB 3.37Å
301S98.4Very high98.2Very high0 Ų028.5 Ų28.50%017%0.171CC..EExtended strand (participates in β ladder)trans-135.5151.5-179.6173.40000111.3S142 L154 D155 S156 T305S142-S301 WeakPolarHBondContact CB-OG 3.23Å; S142-S301 WeakPolarHBondContact OG-CB 3.35Å; S142-S301 PolarHBondContact OG-OG 2.93Å; L154-S301 PolarHBondContact O-N 2.98Å; D155-S301 WeakPolarHBondContact CA-O 3.43Å; D155-S301 VanDerWaalsContact OD1-C 3.31Å; D155-S301 VanDerWaalsContact OD1-CB 3.27Å; D155-S301 WeakPolarHBondContact OD1-CB 3.31Å; D155-S301 PolarHBondContact OD1-OG 2.97Å; S156-S301 PolarHBondContact N-O 3.39Å; S301-T305 WeakPolarHBondContact O-CG2 3.47Å; S301-T305 PolarHBondContact O-OG1 3.18Å
302G97.6Very high98.3Very high9 Ų931 Ų319%0.09319%0.188CC..SBendtrans90160.7171.800000114.3S156 S304 T305 R336S156-G302 CarbonylContact O-C 3.53Å; S156-G302 WeakPolarHBondContact O-CA 3.25Å; G302-S304 PolarHBondContact O-N 3.37Å; G302-T305 PolarHBondContact O-N 3.39Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 3.44Å; G302-R336 PolarHBondContact N-O 3.48Å
303G96.9Very high98.3Very high46 Ų4624.9 Ų24.947%0.47416%0.162SC..G310 helixtrans-62.3-35.3-17000000114.6S156 T305 M306S156-G303 PolarHBondContact O-N 3.46Å; G303-T305 PolarHBondContact O-N 3.39Å; G303-M306 WeakPolarHBondContact O-CB 3.48Å; G303-M306 VanDerWaalsContact O-CG 3.29Å; G303-M306 WeakPolarHBondContact O-CG 3.41Å; G303-M306 PolarHBondContact O-N 3.19Å
304S98.1Very high98.4Very high6 Ų621.6 Ų21.64%0.04214%0.144CC..G310 helixtrans-75.1-9.1179.5-64.60000112.8S156 G157 G183 G302 M306 Y307S156-S304 WeakPolarHBondContact O-CB 3.47Å; S156-S304 PolarHBondContact O-N 2.91Å; S156-S304 VanDerWaalsContact OG-CB 3.24Å; S156-S304 WeakPolarHBondContact OG-CB 3.42Å; G157-S304 PolarHBondContact O-OG 2.9Å; G183-S304 VanDerWaalsContact CA-OG 3.31Å; G183-S304 WeakPolarHBondContact CA-OG 3.29Å; G183-S304 PolarHBondContact N-OG 3.21Å; G183-S304 VanDerWaalsContact N-OG 3.15Å; G302-S304 PolarHBondContact O-N 3.37Å; S304-M306 VanDerWaalsContact C-N 3.32Å; S304-Y307 WeakPolarHBondContact O-CD2 3.14Å; S304-Y307 WeakPolarHBondContact O-CE2 3.49Å
305T98.6Very high98.4Very high1 Ų124.5 Ų24.51%0.00616%0.158CC..G310 helixtrans-89.64.416874.80000113.1L300 S301 G302 G303 Y307 I310 R336L300-T305 HydrophobicContact CB-CG2 4.34Å; S301-T305 WeakPolarHBondContact O-CG2 3.47Å; S301-T305 PolarHBondContact O-OG1 3.18Å; G302-T305 PolarHBondContact O-N 3.39Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 3.44Å; G303-T305 PolarHBondContact O-N 3.39Å; T305-Y307 VanDerWaalsContact C-N 3.3Å; T305-Y307 PolarHBondContact O-N 2.9Å; T305-I310 VanDerWaalsContact O-CG2 3.27Å; T305-I310 WeakPolarHBondContact O-CG2 3.29Å; T305-R336 VanDerWaalsContact O-CZ 3.24Å; T305-R336 PolarHBondContact O-NE 2.82Å; T305-R336 PolarHBondContact O-NH2 3.19Å
306M98.3Very high98.4Very high63 Ų6328.4 Ų28.431%0.3117%0.174SC..  trans-79.8-8.6179.7-65.7-64.4-63.400113.8G303 S304 P334 R336 K337G303-M306 WeakPolarHBondContact O-CB 3.48Å; G303-M306 VanDerWaalsContact O-CG 3.29Å; G303-M306 WeakPolarHBondContact O-CG 3.41Å; G303-M306 PolarHBondContact O-N 3.19Å; S304-M306 VanDerWaalsContact C-N 3.32Å; M306-P334 WeakPolarHBondContact CE-O 3.5Å; M306-R336 HydrophobicContact SD-CG 3.47Å; M306-R336 WeakPolarHBondContact SD-CG 3.26Å; M306-K337 HydrophobicContact CE-CD 4.43Å; M306-K337 HydrophobicContact CE-CG 4.23Å; M306-K337 HydrophobicContact CG-CB 3.98Å; M306-K337 HydrophobicContact SD-CB 3.88Å; M306-K337 HydrophobicContact SD-CG 4.17Å
307Y98.5Very high98.4Very high14 Ų1429 Ų296%0.05517%0.173CC..SBendtrans-56.2131.7178.5-67.9-60.5000111.8L186 K214 C218 V220 P259 L262 S304 T305 G309 I310L186-Y307 HydrophobicContact CD1-CE2 3.9Å; L186-Y307 WeakPolarHBondContact CD1-OH 3.41Å; K214-Y307 VanDerWaalsContact CD-OH 3.27Å; K214-Y307 WeakPolarHBondContact CD-OH 3.44Å; K214-Y307 HydrophobicContact CG-CE1 4.25Å; K214-Y307 VanDerWaalsContact CG-OH 3.26Å; K214-Y307 WeakPolarHBondContact CG-OH 3.28Å; C218-Y307 HydrophobicContact CB-CD1 4.02Å; C218-Y307 HydrophobicContact CB-CE1 3.62Å; V220-Y307 HydrophobicContact CG2-CD2 4.39Å; V220-Y307 HydrophobicContact CG2-CG 4.36Å; P259-Y307 HydrophobicContact CB-CD1 4.28Å; P259-Y307 HydrophobicContact CB-CD2 3.78Å; P259-Y307 HydrophobicContact CB-CE1 4.24Å; P259-Y307 HydrophobicContact CB-CE2 3.72Å; P259-Y307 HydrophobicContact CB-CG 4.07Å; L262-Y307 HydrophobicContact CD1-CD2 4.25Å; L262-Y307 HydrophobicContact CD1-CE2 4.09Å; S304-Y307 WeakPolarHBondContact O-CD2 3.14Å; S304-Y307 WeakPolarHBondContact O-CE2 3.49Å; T305-Y307 VanDerWaalsContact C-N 3.3Å; T305-Y307 PolarHBondContact O-N 2.9Å; Y307-G309 PolarHBondContact O-N 2.86Å; Y307-I310 WeakPolarHBondContact O-CG2 3.24Å; Y307-I310 PolarHBondContact O-N 2.88Å
308P98.6Very high98.4Very high86 Ų8627.5 Ų27.556%0.55817%0.165SC*.THydrogen-bonded Turntrans-55.1140.8167.5-23.333.6000110.6V220 I310V220-P308 PolarHBondContact N-O 2.86Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 2.93Å
309G98.5Very high98.4Very high26 Ų2631 Ų3127%0.26819%0.187SC..THydrogen-bonded Turntrans82.1-10.8178.700000116Y307 A311 D312 R313Y307-G309 PolarHBondContact O-N 2.86Å; G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 2.9Å; G309-D312 PolarHBondContact O-N 2.99Å; G309-R313 PolarHBondContact O-N 2.86Å
310I98.7Very high98.4Very high3 Ų334.9 Ų34.92%0.01522%0.218CC..Hα-helixtrans-63.9-36.8-177-163.9175.9000112.8V220 L262 F263 L300 T305 Y307 P308 R313 M314V220-I310 HydrophobicContact CB-CB 4.26Å; V220-I310 HydrophobicContact CG2-CB 3.92Å; V220-I310 HydrophobicContact CG2-CG1 4.08Å; L262-I310 HydrophobicContact CD1-CD1 4.43Å; F263-I310 HydrophobicContact CE2-CG1 4.24Å; F263-I310 HydrophobicContact CZ-CG1 4.01Å; L300-I310 HydrophobicContact CD1-CG2 3.96Å; T305-I310 VanDerWaalsContact O-CG2 3.27Å; T305-I310 WeakPolarHBondContact O-CG2 3.29Å; Y307-I310 WeakPolarHBondContact O-CG2 3.24Å; Y307-I310 PolarHBondContact O-N 2.88Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 2.93Å; I310-R313 PolarHBondContact O-N 2.87Å; I310-M314 HydrophobicContact CG1-CG 4.35Å; I310-M314 WeakPolarHBondContact O-CB 3.46Å; I310-M314 VanDerWaalsContact O-CG 3.24Å; I310-M314 WeakPolarHBondContact O-CG 3.36Å; I310-M314 PolarHBondContact O-N 3.32Å
311A98.7Very high98.3Very high25 Ų2537.9 Ų37.921%0.20723%0.234CC..Hα-helixtrans-65.3-43.317900000111.2L300 G309 M314 Q315 I330 A332L300-A311 HydrophobicContact CD1-CB 4.21Å; G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 2.9Å; A311-M314 PolarHBondContact O-N 2.82Å; A311-Q315 VanDerWaalsContact O-CB 3.3Å; A311-Q315 WeakPolarHBondContact O-CB 3.46Å; A311-Q315 PolarHBondContact O-N 3.49Å; A311-I330 HydrophobicContact CB-CG2 4.11Å; A311-A332 HydrophobicContact CB-CB 3.91Å
312D98.7Very high98.2Very high106 Ų10638.3 Ų38.357%0.56724%0.238SC*.Hα-helixtrans-67.5-41.4178.3-57.5-54.4000111.5L222 G309 Q315 K316L222-D312 HydrophobicContact CD1-CB 4.16Å; G309-D312 PolarHBondContact O-N 2.99Å; D312-Q315 WeakPolarHBondContact O-CB 3.4Å; D312-Q315 PolarHBondContact O-N 3.17Å; D312-K316 PolarHBondContact O-N 3.25Å
313R98.7Very high98.1Very high11 Ų1140.7 Ų40.74%0.04225%0.251CS..Hα-helixtrans-62.7-48.1174.3-175.764.3176.6-71.9-8.8111.4V220 A221 L222 E260 F263 G309 I310 Q315 K316 E317V220-R313 HydrophobicContact CG1-CB 3.48Å; V220-R313 VanDerWaalsContact CG1-CB 3.48Å; V220-R313 HydrophobicContact CG1-CG 3.68Å; A221-R313 WeakPolarHBondContact O-CD 3.44Å; A221-R313 PolarHBondContact O-NH1 2.7Å; L222-R313 WeakPolarHBondContact O-CD 3.43Å; E260-R313 IonicContact OE1-CZ 3.31Å; E260-R313 IonicContact OE1-NH1 3.64Å; E260-R313 PolarHBondContact OE1-NH1 2.9Å; E260-R313 IonicContact OE1-NH2 2.76Å; E260-R313 PolarHBondContact OE1-NH2 3.08Å; E260-R313 IonicContact OE2-CZ 2.77Å; E260-R313 IonicContact OE2-NH1 3.96Å; E260-R313 PolarHBondContact OE2-NH1 3.36Å; E260-R313 IonicContact OE2-NH2 3.88Å; F263-R313 HydrophobicContact CD1-CG 3.87Å; F263-R313 HydrophobicContact CE1-CB 4.2Å; F263-R313 HydrophobicContact CE1-CG 3.39Å; F263-R313 HydrophobicContact CE2-CG 4.1Å; F263-R313 HydrophobicContact CG-CG 4.45Å; F263-R313 HydrophobicContact CZ-CB 3.98Å; F263-R313 HydrophobicContact CZ-CG 3.52Å; G309-R313 PolarHBondContact O-N 2.86Å; I310-R313 PolarHBondContact O-N 2.87Å; R313-Q315 VanDerWaalsContact C-N 3.28Å; R313-Q315 PolarHBondContact O-N 2.79Å; R313-K316 PolarHBondContact O-N 2.96Å; R313-E317 HydrophobicContact CG-CG 4.29Å; R313-E317 IonicContact CZ-OE1 3.82Å; R313-E317 IonicContact NE-OE1 2.74Å; R313-E317 PolarHBondContact NE-OE1 3.48Å; R313-E317 IonicContact NH2-OE1 3.73Å; R313-E317 PolarHBondContact NH2-OE1 2.86Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.4Å; R313-E317 PolarHBondContact O-N 3.08Å
314M98.7Very high98Very high0 Ų044.7 Ų44.70%027%0.272CS..Hα-helixtrans-58.2-40.5174.6-76-66.8-6900112.1L154 F263 V275 H276 I310 A311 I318 I330L154-M314 HydrophobicContact CD2-CE 3.57Å; L154-M314 HydrophobicContact CD2-SD 4.07Å; F263-M314 HydrophobicContact CE1-CG 4.27Å; F263-M314 HydrophobicContact CE1-SD 3.84Å; F263-M314 HydrophobicContact CZ-CG 4.16Å; F263-M314 HydrophobicContact CZ-SD 4.14Å; V275-M314 HydrophobicContact CG2-SD 3.84Å; H276-M314 HydrophobicContact CB-SD 3.85Å; I310-M314 HydrophobicContact CG1-CG 4.35Å; I310-M314 WeakPolarHBondContact O-CB 3.46Å; I310-M314 VanDerWaalsContact O-CG 3.24Å; I310-M314 WeakPolarHBondContact O-CG 3.36Å; I310-M314 PolarHBondContact O-N 3.32Å; A311-M314 PolarHBondContact O-N 2.82Å; M314-I318 HydrophobicContact CE-CD1 3.59Å; M314-I318 HydrophobicContact CE-CG1 4.39Å; M314-I318 WeakPolarHBondContact O-CB 3.29Å; M314-I318 WeakPolarHBondContact O-CG1 3.36Å; M314-I318 PolarHBondContact O-N 3.35Å; M314-I330 HydrophobicContact CB-CD1 4.18Å; M314-I330 HydrophobicContact CB-CG1 4.08Å; M314-I330 HydrophobicContact CB-CG2 4.4Å
315Q98.6Very high97.8Very high61 Ų6150.3 Ų50.329%0.28531%0.306SS..Hα-helixtrans-62.5-47.4177.2-177.370.560.300110.9A311 D312 R313 T319 I328 I330A311-Q315 VanDerWaalsContact O-CB 3.3Å; A311-Q315 WeakPolarHBondContact O-CB 3.46Å; A311-Q315 PolarHBondContact O-N 3.49Å; D312-Q315 WeakPolarHBondContact O-CB 3.4Å; D312-Q315 PolarHBondContact O-N 3.17Å; R313-Q315 VanDerWaalsContact C-N 3.28Å; R313-Q315 PolarHBondContact O-N 2.79Å; Q315-T319 PolarHBondContact NE2-OG1 3.38Å; Q315-T319 WeakPolarHBondContact O-CB 3.48Å; Q315-T319 PolarHBondContact O-N 3.31Å; Q315-T319 VanDerWaalsContact O-N 3.12Å; Q315-T319 PolarHBondContact O-OG1 3.05Å; Q315-I328 PolarHBondContact NE2-O 3.43Å; Q315-I328 PolarHBondContact OE1-O 3.16Å; Q315-I330 HydrophobicContact CB-CG1 3.77Å; Q315-I330 VanDerWaalsContact OE1-N 3.16Å
316K98.6Very high97.6Very high81 Ų8152.4 Ų52.435%0.35232%0.317SS..Hα-helixtrans-58.5-54.9176.3175.3-177.2168.5-176.30111.1L222 D223 D312 R313 T319 A320L222-K316 HydrophobicContact CD1-CB 4.09Å; L222-K316 HydrophobicContact CD1-CD 3.88Å; L222-K316 HydrophobicContact CG-CD 4.16Å; L222-K316 WeakPolarHBondContact O-CD 3.4Å; L222-K316 PolarHBondContact O-NZ 3.48Å; D223-K316 IonicContact OD2-NZ 3.1Å; D223-K316 PolarHBondContact OD2-NZ 2.91Å; D223-K316 VanDerWaalsContact OD2-NZ 3.1Å; D312-K316 PolarHBondContact O-N 3.25Å; R313-K316 PolarHBondContact O-N 2.96Å; K316-T319 PolarHBondContact O-N 3.09Å; K316-A320 PolarHBondContact O-N 3.17Å; K316-A320 VanDerWaalsContact O-N 3.1Å
317E98.5Very high97.5Very high39 Ų3957.2 Ų57.218%0.18234%0.336CS..Hα-helixtrans-68.1-44.3-172.3-61.2-62178.300112.4F263 H276 R313 T319 A320 L321F263-E317 HydrophobicContact CD1-CG 4.39Å; H276-E317 HydrophobicContact CB-CB 3.66Å; H276-E317 HydrophobicContact CB-CG 4.31Å; R313-E317 HydrophobicContact CG-CG 4.29Å; R313-E317 IonicContact CZ-OE1 3.82Å; R313-E317 IonicContact NE-OE1 2.74Å; R313-E317 PolarHBondContact NE-OE1 3.48Å; R313-E317 IonicContact NH2-OE1 3.73Å; R313-E317 PolarHBondContact NH2-OE1 2.86Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.4Å; R313-E317 PolarHBondContact O-N 3.08Å; E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 PolarHBondContact O-N 3.02Å; E317-A320 PolarHBondContact O-N 3.34Å; E317-L321 WeakPolarHBondContact O-CG 3.48Å; E317-L321 PolarHBondContact O-N 3.08Å; E317-L321 VanDerWaalsContact O-N 3.11Å
318I98.3Very high97.5Very high0 Ų057.2 Ų57.20%034%0.337CS..Hα-helixtrans-66.6-35.4177.8-66.4-179.7000111H276 T279 Y295 T298 M314 A320 L321 A322 I328 I330H276-I318 HydrophobicContact CB-CG1 4.49Å; T279-I318 HydrophobicContact CG2-CD1 3.79Å; Y295-I318 HydrophobicContact CD1-CG2 3.93Å; Y295-I318 HydrophobicContact CE1-CG2 3.9Å; T298-I318 HydrophobicContact CG2-CD1 4.38Å; M314-I318 HydrophobicContact CE-CD1 3.59Å; M314-I318 HydrophobicContact CE-CG1 4.39Å; M314-I318 WeakPolarHBondContact O-CB 3.29Å; M314-I318 WeakPolarHBondContact O-CG1 3.36Å; M314-I318 PolarHBondContact O-N 3.35Å; I318-A320 VanDerWaalsContact C-N 3.28Å; I318-A320 PolarHBondContact O-N 2.98Å; I318-L321 PolarHBondContact O-N 2.91Å; I318-A322 WeakPolarHBondContact O-CB 3.47Å; I318-A322 PolarHBondContact O-N 3.4Å; I318-I328 HydrophobicContact CB-CG2 4.02Å; I318-I328 HydrophobicContact CG2-CD1 4.09Å; I318-I328 HydrophobicContact CG2-CG1 4.17Å; I318-I328 HydrophobicContact CG2-CG2 3.59Å; I318-I330 HydrophobicContact CD1-CD1 4.08Å
319T98.1Very high97.4Very high75 Ų7557.8 Ų57.846%0.4633%0.33SS..Hα-helixtrans-64.4-34.5175.6-57.50000111.9Q315 K316 E317Q315-T319 PolarHBondContact NE2-OG1 3.38Å; Q315-T319 WeakPolarHBondContact O-CB 3.48Å; Q315-T319 PolarHBondContact O-N 3.31Å; Q315-T319 VanDerWaalsContact O-N 3.12Å; Q315-T319 PolarHBondContact O-OG1 3.05Å; K316-T319 PolarHBondContact O-N 3.09Å; E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 PolarHBondContact O-N 3.02Å
320A98Very high97.5Very high80 Ų8057.6 Ų57.666%0.66132%0.323SS*.Hα-helixtrans-71.9-33.6176.700000112.9K316 E317 I318K316-A320 PolarHBondContact O-N 3.17Å; K316-A320 VanDerWaalsContact O-N 3.1Å; E317-A320 PolarHBondContact O-N 3.34Å; I318-A320 VanDerWaalsContact C-N 3.28Å; I318-A320 PolarHBondContact O-N 2.98Å
321L97.9Very high97.4Very high63 Ų6358.4 Ų58.433%0.3333%0.327SS..Hα-helixtrans-83.2-36.2179.9-66.6173.9000113.4E277 Y280 E317 I318E277-L321 HydrophobicContact CG-CD1 3.93Å; Y280-L321 HydrophobicContact CD2-CB 3.67Å; Y280-L321 HydrophobicContact CE2-CB 4.06Å; Y280-L321 VanDerWaalsContact CE2-O 3.28Å; Y280-L321 WeakPolarHBondContact CE2-O 3.22Å; Y280-L321 HydrophobicContact CG-CB 3.96Å; Y280-L321 HydrophobicContact CG-CD1 4.14Å; E317-L321 WeakPolarHBondContact O-CG 3.48Å; E317-L321 PolarHBondContact O-N 3.08Å; E317-L321 VanDerWaalsContact O-N 3.11Å; I318-L321 PolarHBondContact O-N 2.91Å
322A96.6Very high97.4Very high10 Ų1058.8 Ų58.88%0.08333%0.33CS..SBendtrans-74.5154.4-174.900000112.5Y295 I318 S324 M326 I328Y295-A322 HydrophobicContact CD1-CB 4.27Å; Y295-A322 HydrophobicContact CE1-CB 3.71Å; Y295-A322 HydrophobicContact CE2-CB 4.26Å; I318-A322 WeakPolarHBondContact O-CB 3.47Å; I318-A322 PolarHBondContact O-N 3.4Å; A322-S324 PolarHBondContact O-N 3.14Å; A322-M326 HydrophobicContact CB-CB 4.45Å; A322-I328 HydrophobicContact CB-CD1 3.64Å; A322-I328 HydrophobicContact CB-CG1 4.27Å
323P94.7Very high97.3Very high59 Ų5954.6 Ų54.638%0.38331%0.309SS..  trans-55.4139.5171.2-23.132.7000111.4T325 M326P323-T325 PolarHBondContact O-N 2.83Å; P323-M326 HydrophobicContact CB-CG 4.15Å; P323-M326 HydrophobicContact CG-CG 4.26Å; P323-M326 WeakPolarHBondContact O-CB 3.43Å; P323-M326 PolarHBondContact O-N 3.46Å
324S93.8Very high97.2Very high129 Ų12958.9 Ų58.990%0.90234%0.338SS*.THydrogen-bonded Turntrans-61.2-15.6-175.856.30000115.1A322 M326A322-S324 PolarHBondContact O-N 3.14Å; S324-M326 VanDerWaalsContact C-N 3.34Å
325T93.7Very high97.1Very high124 Ų12463.2 Ų63.276%0.76136%0.358SS*.THydrogen-bonded Turntrans-80-14.9174.353.70000113.3P323P323-T325 PolarHBondContact O-N 2.83Å
326M95.1Very high97Very high46 Ų4661.6 Ų61.623%0.22735%0.349CS..SBendtrans-84.2132.5-178.2-62.6-61.817700110.8K292 Y295 A322 P323 S324 I328K292-M326 HydrophobicContact CB-SD 4.14Å; Y295-M326 HydrophobicContact CD2-CB 3.93Å; Y295-M326 HydrophobicContact CD2-CG 3.72Å; Y295-M326 HydrophobicContact CD2-SD 4.04Å; Y295-M326 HydrophobicContact CE2-CB 4.44Å; Y295-M326 HydrophobicContact CE2-CG 3.96Å; Y295-M326 HydrophobicContact CG-CB 4.38Å; A322-M326 HydrophobicContact CB-CB 4.45Å; P323-M326 HydrophobicContact CB-CG 4.15Å; P323-M326 HydrophobicContact CG-CG 4.26Å; P323-M326 WeakPolarHBondContact O-CB 3.43Å; P323-M326 PolarHBondContact O-N 3.46Å; S324-M326 VanDerWaalsContact C-N 3.34Å; M326-I328 HydrophobicContact CB-CD1 3.97Å
327K96Very high96.9Very high163 Ų16361.8 Ų61.871%0.70935%0.35SS*.  trans-88.6112.8170.8-176.8178-179.8177.20109.1Y295Y295-K327 CarbonylContact C-O 3.52Å
328I98.1Very high96.9Very high15 Ų1562.6 Ų62.68%0.07735%0.352CS..  trans-89.4132.4178.9-48.3-47.1000109.3Y295 Q315 I318 A322 M326 I330Y295-I328 HydrophobicContact CD1-CD1 3.4Å; Y295-I328 VanDerWaalsContact CD1-CD1 3.4Å; Y295-I328 HydrophobicContact CD2-CD1 4.38Å; Y295-I328 HydrophobicContact CE1-CD1 4.13Å; Y295-I328 HydrophobicContact CG-CD1 3.55Å; Y295-I328 WeakPolarHBondContact O-CA 3.47Å; Q315-I328 PolarHBondContact NE2-O 3.43Å; Q315-I328 PolarHBondContact OE1-O 3.16Å; I318-I328 HydrophobicContact CB-CG2 4.02Å; I318-I328 HydrophobicContact CG2-CD1 4.09Å; I318-I328 HydrophobicContact CG2-CG1 4.17Å; I318-I328 HydrophobicContact CG2-CG2 3.59Å; A322-I328 HydrophobicContact CB-CD1 3.64Å; A322-I328 HydrophobicContact CB-CG1 4.27Å; M326-I328 HydrophobicContact CB-CD1 3.97Å; I328-I330 HydrophobicContact CG2-CD1 4.19Å
329K98.4Very high96.9Very high97 Ų9762.7 Ų62.742%0.42235%0.353SS..  trans-138.3117.6172.6-179.2-174.9-179.5-176.70110.2Y295 A296 T298 I331Y295-K329 PolarHBondContact O-N 3.21Å; A296-K329 WeakPolarHBondContact O-CB 3.35Å; T298-K329 PolarHBondContact N-O 3.43Å; K329-I331 HydrophobicContact CD-CG1 4.36Å; K329-I331 HydrophobicContact CG-CG1 4.29Å
330I98.6Very high96.9Very high22 Ų2259.5 Ų59.511%0.11333%0.333CS..EExtended strand (participates in β ladder)trans-89.3130.2171-49.1-52.4000109.6T298 L300 A311 M314 Q315 I318 I328T298-I330 HydrophobicContact CG2-CD1 3.78Å; T298-I330 CarbonylContact O-C 3.15Å; T298-I330 WeakPolarHBondContact O-CA 3.28Å; L300-I330 HydrophobicContact CD1-CG2 3.8Å; L300-I330 HydrophobicContact CD2-CG2 4.09Å; L300-I330 HydrophobicContact CG-CG2 3.73Å; A311-I330 HydrophobicContact CB-CG2 4.11Å; M314-I330 HydrophobicContact CB-CD1 4.18Å; M314-I330 HydrophobicContact CB-CG1 4.08Å; M314-I330 HydrophobicContact CB-CG2 4.4Å; Q315-I330 HydrophobicContact CB-CG1 3.77Å; Q315-I330 VanDerWaalsContact OE1-N 3.16Å; I318-I330 HydrophobicContact CD1-CD1 4.08Å; I328-I330 HydrophobicContact CG2-CD1 4.19Å
331I98.5Very high96.9Very high20 Ų2055.7 Ų55.710%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-114.3111.3-180-60.6153.6000107.1R148 N297 T298 V299 L300 K329 P333R148-I331 VanDerWaalsContact CZ-CD1 3.43Å; R148-I331 VanDerWaalsContact NE-CD1 3.28Å; N297-I331 HydrophobicContact CB-CD1 4.33Å; T298-I331 PolarHBondContact O-N 3.48Å; V299-I331 WeakPolarHBondContact CA-O 3.25Å; V299-I331 HydrophobicContact CG2-CB 4.1Å; V299-I331 HydrophobicContact CG2-CD1 3.9Å; V299-I331 HydrophobicContact CG2-CG2 4.33Å; L300-I331 PolarHBondContact N-O 3.08Å; K329-I331 HydrophobicContact CD-CG1 4.36Å; K329-I331 HydrophobicContact CG-CG1 4.29Å; I331-P333 HydrophobicContact CG2-CG 4.34Å
332A98.2Very high96.9Very high33 Ų3354.1 Ų54.127%0.27329%0.293SS..  trans-125.182.9-178.700000110L300 A311L300-A332 HydrophobicContact CB-CB 4.33Å; L300-A332 HydrophobicContact CD1-CB 3.98Å; L300-A332 HydrophobicContact CG-CB 4.32Å; A311-A332 HydrophobicContact CB-CB 3.91Å
333P96.8Very high97Very high19 Ų1953.6 Ų53.612%0.12329%0.289CS..  trans-55.5142.1177.2-23.133.7000111.1I331 E335 R336I331-P333 HydrophobicContact CG2-CG 4.34Å; P333-E335 WeakPolarHBondContact CB-OE1 3.37Å; P333-E335 PolarHBondContact O-N 3.39Å; P333-R336 HydrophobicContact CB-CB 4.26Å; P333-R336 WeakPolarHBondContact O-CB 3.31Å; P333-R336 WeakPolarHBondContact O-CD 3.48Å; P333-R336 WeakPolarHBondContact O-CG 3.12Å; P333-R336 PolarHBondContact O-N 3.04Å; P333-R336 VanDerWaalsContact O-N 3.12Å; P333-R336 PolarHBondContact O-NH1 3.03Å
334P96.6Very high97.1Very high101 Ų10150.8 Ų50.866%0.65627%0.271SS*.THydrogen-bonded Turntrans-56.9-37.5178.8-25.634.4000113.2M306 R336M306-P334 WeakPolarHBondContact CE-O 3.5Å; P334-R336 VanDerWaalsContact C-N 3.3Å; P334-R336 PolarHBondContact O-N 3.46Å
335E95.5Very high97.3Very high90 Ų9044.9 Ų44.942%0.42123%0.229SC..THydrogen-bonded Turntrans-87.813-179.864.1-71.8161.700113.5P333 K337 Y338 I342P333-E335 WeakPolarHBondContact CB-OE1 3.37Å; P333-E335 PolarHBondContact O-N 3.39Å; E335-K337 PolarHBondContact O-N 3.22Å; E335-Y338 WeakPolarHBondContact O-CA 3.27Å; E335-Y338 WeakPolarHBondContact O-CB 3.46Å; E335-Y338 PolarHBondContact O-N 3.15Å; E335-I342 HydrophobicContact CB-CD1 4.32Å; E335-I342 HydrophobicContact CG-CD1 3.65Å
336R97.2Very high97.4Very high27 Ų2742.2 Ų42.210%0.10221%0.21CC..G310 helixtrans-59.4-15.7-171.567.3-170.3172.2-77.51.6116.9L300 G302 T305 M306 P333 P334 Y338 S339L300-R336 WeakPolarHBondContact O-CB 3.37Å; G302-R336 PolarHBondContact N-O 3.48Å; T305-R336 VanDerWaalsContact O-CZ 3.24Å; T305-R336 PolarHBondContact O-NE 2.82Å; T305-R336 PolarHBondContact O-NH2 3.19Å; M306-R336 HydrophobicContact SD-CG 3.47Å; M306-R336 WeakPolarHBondContact SD-CG 3.26Å; P333-R336 HydrophobicContact CB-CB 4.26Å; P333-R336 WeakPolarHBondContact O-CB 3.31Å; P333-R336 WeakPolarHBondContact O-CD 3.48Å; P333-R336 WeakPolarHBondContact O-CG 3.12Å; P333-R336 PolarHBondContact O-N 3.04Å; P333-R336 VanDerWaalsContact O-N 3.12Å; P333-R336 PolarHBondContact O-NH1 3.03Å; P334-R336 VanDerWaalsContact C-N 3.3Å; P334-R336 PolarHBondContact O-N 3.46Å; R336-Y338 PolarHBondContact O-N 3.25Å; R336-S339 VanDerWaalsContact CA-OG 3.26Å; R336-S339 WeakPolarHBondContact CA-OG 3.41Å; R336-S339 PolarHBondContact O-N 3.44Å
337K96.7Very high97.4Very high86 Ų8641.1 Ų41.137%0.37421%0.205SC..G310 helixtrans-60.6-20.1166.156.2167.8170.7165.70113.2K19 M306 E335K19-K337 WeakPolarHBondContact CE-O 3.48Å; M306-K337 HydrophobicContact CE-CD 4.43Å; M306-K337 HydrophobicContact CE-CG 4.23Å; M306-K337 HydrophobicContact CG-CB 3.98Å; M306-K337 HydrophobicContact SD-CB 3.88Å; M306-K337 HydrophobicContact SD-CG 4.17Å; E335-K337 PolarHBondContact O-N 3.22Å
338Y97.6Very high97.4Very high56 Ų5633.5 Ų33.522%0.2217%0.172CC..G310 helixtrans-115.12.4-179.1-52.7-41.8000113.1K19 P28 V31 E335 R336 V340 W341 I342K19-Y338 HydrophobicContact CD-CD1 3.71Å; K19-Y338 HydrophobicContact CD-CE1 4.24Å; P28-Y338 HydrophobicContact CG-CD1 4.15Å; P28-Y338 HydrophobicContact CG-CE1 4.42Å; P28-Y338 HydrophobicContact CG-CG 4.31Å; V31-Y338 HydrophobicContact CG2-CE1 4.04Å; E335-Y338 WeakPolarHBondContact O-CA 3.27Å; E335-Y338 WeakPolarHBondContact O-CB 3.46Å; E335-Y338 PolarHBondContact O-N 3.15Å; R336-Y338 PolarHBondContact O-N 3.25Å; Y338-V340 PolarHBondContact O-N 3.49Å; Y338-V340 VanDerWaalsContact O-N 3.15Å; Y338-W341 PolarHBondContact O-N 3.27Å; Y338-I342 WeakPolarHBondContact O-CG1 3.42Å; Y338-I342 PolarHBondContact O-N 3.24Å
339S98.1Very high97.2Very high2 Ų235.9 Ų35.91%0.01419%0.19CC..Hα-helixtrans-51.2-42.2-176.2-76.20000113.4S142 A145 R336 W341 I342 G343S142-S339 WeakPolarHBondContact OG-CB 3.5Å; A145-S339 VanDerWaalsContact CB-O 3.27Å; A145-S339 WeakPolarHBondContact CB-O 3.45Å; R336-S339 VanDerWaalsContact CA-OG 3.26Å; R336-S339 WeakPolarHBondContact CA-OG 3.41Å; R336-S339 PolarHBondContact O-N 3.44Å; S339-W341 PolarHBondContact O-N 3.34Å; S339-I342 PolarHBondContact O-N 3.29Å; S339-G343 PolarHBondContact O-N 2.79Å
340V98.3Very high96.9Very high8 Ų835 Ų355%0.04819%0.19CC..Hα-helixtrans-57.3-51178.2174.10000110.9D12 T107 Q138 L141 S142 Y338 G343 G344D12-V340 HydrophobicContact CB-CG1 4.04Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.27Å; T107-V340 HydrophobicContact CG2-CG1 3.79Å; Q138-V340 HydrophobicContact CB-CG1 3.95Å; Q138-V340 HydrophobicContact CB-CG2 3.89Å; Q138-V340 HydrophobicContact CG-CG1 3.75Å; Q138-V340 HydrophobicContact CG-CG2 4.38Å; L141-V340 WeakPolarHBondContact CB-O 3.41Å; L141-V340 HydrophobicContact CD1-CG1 4.32Å; S142-V340 WeakPolarHBondContact OG-CG2 3.34Å; S142-V340 PolarHBondContact OG-N 3.22Å; Y338-V340 PolarHBondContact O-N 3.49Å; Y338-V340 VanDerWaalsContact O-N 3.15Å; V340-G343 PolarHBondContact O-N 2.93Å; V340-G344 PolarHBondContact O-N 3.06Å
341W98.5Very high96.5Very high0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-67.5-42.6-178.6-175.991.3000111.3V10 D12 K19 D25 A27 P28 Y338 S339 G343 G344 S345V10-W341 HydrophobicContact CG1-CG 4.24Å; V10-W341 PolarHBondContact O-NE1 3.03Å; D12-W341 HydrophobicContact CB-CB 4.27Å; K19-W341 HydrophobicContact CB-CB 4.46Å; K19-W341 HydrophobicContact CB-CG 4.47Å; D25-W341 HydrophobicContact CB-CH2 3.87Å; D25-W341 WeakPolarHBondContact O-CH2 3.36Å; D25-W341 WeakPolarHBondContact O-CZ3 2.99Å; A27-W341 VanDerWaalsContact C-CH2 3.47Å; A27-W341 VanDerWaalsContact O-CH2 3.3Å; A27-W341 WeakPolarHBondContact O-CH2 3.35Å; A27-W341 WeakPolarHBondContact O-CZ3 3.42Å; P28-W341 HydrophobicContact CB-CD2 3.73Å; P28-W341 HydrophobicContact CB-CE3 4.19Å; P28-W341 HydrophobicContact CB-CG 3.96Å; P28-W341 HydrophobicContact CG-CD2 4.31Å; P28-W341 HydrophobicContact CG-CE3 4.4Å; P28-W341 HydrophobicContact CG-CG 4.49Å; Y338-W341 PolarHBondContact O-N 3.27Å; S339-W341 PolarHBondContact O-N 3.34Å; W341-G343 VanDerWaalsContact C-N 3.32Å; W341-G343 PolarHBondContact O-N 2.84Å; W341-G344 PolarHBondContact O-N 2.79Å; W341-G344 VanDerWaalsContact O-N 3.14Å; W341-S345 PolarHBondContact O-N 2.73Å
342I98.1Very high96Very high29 Ų2943 Ų4315%0.14924%0.244CC..Hα-helixtrans-59.9-44.4176.5-66.6167.6000110.3A145 E335 Y338 S339 G344 S345 I346A145-I342 HydrophobicContact CB-CB 4.11Å; A145-I342 HydrophobicContact CB-CG2 3.9Å; E335-I342 HydrophobicContact CB-CD1 4.32Å; E335-I342 HydrophobicContact CG-CD1 3.65Å; Y338-I342 WeakPolarHBondContact O-CG1 3.42Å; Y338-I342 PolarHBondContact O-N 3.24Å; S339-I342 PolarHBondContact O-N 3.29Å; I342-G344 VanDerWaalsContact C-N 3.32Å; I342-G344 PolarHBondContact O-N 2.95Å; I342-S345 WeakPolarHBondContact O-CB 3Å; I342-S345 PolarHBondContact O-N 3.37Å; I342-I346 HydrophobicContact CG2-CD1 3.97Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 2.93Å
343G97.8Very high95.7Very high0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-62.9-37.9176.200000113.1L141 S339 V340 W341 L347L141-G343 VanDerWaalsContact O-CA 3.26Å; L141-G343 WeakPolarHBondContact O-CA 3.11Å; S339-G343 PolarHBondContact O-N 2.79Å; V340-G343 PolarHBondContact O-N 2.93Å; W341-G343 VanDerWaalsContact C-N 3.32Å; W341-G343 PolarHBondContact O-N 2.84Å; G343-L347 VanDerWaalsContact O-CB 3.31Å; G343-L347 WeakPolarHBondContact O-CB 3.38Å; G343-L347 PolarHBondContact O-N 2.9Å
344G97.8Very high95.1Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-65.2-41.6172.100000112.5V340 W341 I342 L347 A348V340-G344 PolarHBondContact O-N 3.06Å; W341-G344 PolarHBondContact O-N 2.79Å; W341-G344 VanDerWaalsContact O-N 3.14Å; I342-G344 VanDerWaalsContact C-N 3.32Å; I342-G344 PolarHBondContact O-N 2.95Å; G344-L347 PolarHBondContact O-N 2.93Å; G344-A348 VanDerWaalsContact O-CB 3.23Å; G344-A348 WeakPolarHBondContact O-CB 3.42Å; G344-A348 PolarHBondContact O-N 3.14Å
345S97.7Very high94.8Very high4 Ų447.7 Ų47.73%0.02825%0.25CS..Hα-helixtrans-61.9-44.6176.1-179.90000111.6G24 D25 W341 I342 S349G24-S345 PolarHBondContact N-OG 3Å; D25-S345 PolarHBondContact O-OG 3Å; W341-S345 PolarHBondContact O-N 2.73Å; I342-S345 WeakPolarHBondContact O-CB 3Å; I342-S345 PolarHBondContact O-N 3.37Å; S345-S349 WeakPolarHBondContact O-CB 3.46Å; S345-S349 PolarHBondContact O-N 2.87Å; S345-S349 PolarHBondContact O-OG 3.03Å
346I95.8Very high94.7Very high69 Ų6947.2 Ų47.235%0.35425%0.249SC..Hα-helixtrans-62.2-53.2173.8-67165.4000110I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.97Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 2.93Å; I346-A348 PolarHBondContact O-N 3.46Å; I346-S349 PolarHBondContact O-N 2.96Å; I346-S349 PolarHBondContact O-OG 3.38Å; I346-L350 WeakPolarHBondContact O-CG 3.23Å; I346-L350 PolarHBondContact O-N 2.69Å
347L95.6Very high94.7Very high22 Ų2246.6 Ų46.612%0.11525%0.247CC..Hα-helixtrans-58.7-47.6-176.4-178.262.9000112L105 L141 Y144 G343 G344 S349 L350 F353L105-L347 HydrophobicContact CD1-CD2 4.18Å; L141-L347 HydrophobicContact CD2-CB 4.27Å; L141-L347 HydrophobicContact CD2-CD2 3.64Å; Y144-L347 HydrophobicContact CD2-CB 4.44Å; Y144-L347 HydrophobicContact CD2-CD1 4.37Å; Y144-L347 HydrophobicContact CE2-CD1 4.03Å; Y144-L347 HydrophobicContact CE2-CD2 4.24Å; G343-L347 VanDerWaalsContact O-CB 3.31Å; G343-L347 WeakPolarHBondContact O-CB 3.38Å; G343-L347 PolarHBondContact O-N 2.9Å; G344-L347 PolarHBondContact O-N 2.93Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 3.21Å; L347-L350 HydrophobicContact CD1-CD1 4.47Å; L347-L350 PolarHBondContact O-N 3.38Å; L347-F353 HydrophobicContact CD1-CD2 3.53Å; L347-F353 HydrophobicContact CD1-CE2 3.86Å; L347-F353 HydrophobicContact CD1-CG 4.13Å; L347-F353 HydrophobicContact CD2-CD2 4.26Å; L347-F353 HydrophobicContact CD2-CE2 3.71Å; L347-F353 HydrophobicContact CD2-CZ 4.01Å; L347-F353 HydrophobicContact CG-CD1 4.46Å; L347-F353 HydrophobicContact CG-CD2 3.69Å; L347-F353 HydrophobicContact CG-CE1 4.4Å; L347-F353 HydrophobicContact CG-CE2 3.63Å; L347-F353 HydrophobicContact CG-CG 4.11Å; L347-F353 HydrophobicContact CG-CZ 4Å; L347-F353 VanDerWaalsContact O-CB 3.25Å; L347-F353 WeakPolarHBondContact O-CB 3.31Å; L347-F353 WeakPolarHBondContact O-CG 3.42Å
348A96.1Very high94.8Very high3 Ų342.5 Ų42.53%0.02523%0.229CC..Hα-helixtrans-71.8-16.7-177.500000113.9A8 V10 A23 L105 G344 I346 W357A8-A348 HydrophobicContact CB-CB 4.14Å; V10-A348 HydrophobicContact CG2-CB 4.25Å; A23-A348 HydrophobicContact CB-CB 3.64Å; L105-A348 HydrophobicContact CD1-CB 4.21Å; G344-A348 VanDerWaalsContact O-CB 3.23Å; G344-A348 WeakPolarHBondContact O-CB 3.42Å; G344-A348 PolarHBondContact O-N 3.14Å; I346-A348 PolarHBondContact O-N 3.46Å; A348-W357 HydrophobicContact CB-CH2 4.28Å; A348-W357 HydrophobicContact CB-CZ2 4.05Å
349S93.6Very high94.8Very high65 Ų6541.7 Ų41.746%0.45523%0.231SC..Hα-helixtrans-91.1-6.517557.90000113.8S345 I346 L347 S351S345-S349 WeakPolarHBondContact O-CB 3.46Å; S345-S349 PolarHBondContact O-N 2.87Å; S345-S349 PolarHBondContact O-OG 3.03Å; I346-S349 PolarHBondContact O-N 2.96Å; I346-S349 PolarHBondContact O-OG 3.38Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 3.21Å; S349-S351 PolarHBondContact O-N 3.41Å
350L92.5Very high94.7Very high80 Ų8044.3 Ų44.342%0.41924%0.243SC..  trans-74.2126.4175.2-63.9176.1000110.9I346 L347 T352 F353I346-L350 WeakPolarHBondContact O-CG 3.23Å; I346-L350 PolarHBondContact O-N 2.69Å; L347-L350 HydrophobicContact CD1-CD1 4.47Å; L347-L350 PolarHBondContact O-N 3.38Å; L350-T352 PolarHBondContact O-N 3.47Å; L350-F353 HydrophobicContact CB-CB 4.06Å; L350-F353 VanDerWaalsContact O-CB 3.28Å; L350-F353 WeakPolarHBondContact O-CB 3.24Å; L350-F353 PolarHBondContact O-N 3.1Å
351S89.8Confident94.7Very high98 Ų9850.1 Ų50.169%0.68527%0.269SS*.G310 helixtrans-60-32.2175.657.50000113S349 F353 Q354S349-S351 PolarHBondContact O-N 3.41Å; S351-F353 PolarHBondContact O-N 2.93Å; S351-Q354 WeakPolarHBondContact O-CB 3.38Å; S351-Q354 WeakPolarHBondContact O-CG 3.19Å; S351-Q354 PolarHBondContact O-N 3.01Å
352T88.4Confident94.7Very high110 Ų11052.7 Ų52.768%0.67528%0.281SS*.G310 helixtrans-68.1-22.2174.951.70000113.1L350 Q354L350-T352 PolarHBondContact O-N 3.47Å; T352-Q354 VanDerWaalsContact C-N 3.31Å
353F90.2Very high94.7Very high10 Ų1051.7 Ų51.74%0.04428%0.276CS..G310 helixtrans-77.7-16.8177.6-174.6-105.4000112.6L105 Y134 L347 L350 S351 Q355 M356 W357L105-F353 HydrophobicContact CD1-CE1 4.32Å; L105-F353 HydrophobicContact CD1-CZ 4.23Å; Y134-F353 HydrophobicContact CD1-CE2 4.19Å; Y134-F353 AromaticContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD2-CE2 4.29Å; Y134-F353 AromaticContact CD2-CZ 3.87Å; Y134-F353 HydrophobicContact CD2-CZ 3.87Å; Y134-F353 HydrophobicContact CE1-CE2 4.05Å; Y134-F353 AromaticContact CE1-CZ 3.95Å; Y134-F353 HydrophobicContact CE1-CZ 3.95Å; Y134-F353 HydrophobicContact CE2-CE2 4.17Å; Y134-F353 HydrophobicContact CE2-CZ 4.2Å; Y134-F353 HydrophobicContact CG-CE1 4.46Å; Y134-F353 HydrophobicContact CG-CE2 4.3Å; Y134-F353 AromaticContact CG-CZ 3.56Å; Y134-F353 HydrophobicContact CG-CZ 3.56Å; L347-F353 HydrophobicContact CD1-CD2 3.53Å; L347-F353 HydrophobicContact CD1-CE2 3.86Å; L347-F353 HydrophobicContact CD1-CG 4.13Å; L347-F353 HydrophobicContact CD2-CD2 4.26Å; L347-F353 HydrophobicContact CD2-CE2 3.71Å; L347-F353 HydrophobicContact CD2-CZ 4.01Å; L347-F353 HydrophobicContact CG-CD1 4.46Å; L347-F353 HydrophobicContact CG-CD2 3.69Å; L347-F353 HydrophobicContact CG-CE1 4.4Å; L347-F353 HydrophobicContact CG-CE2 3.63Å; L347-F353 HydrophobicContact CG-CG 4.11Å; L347-F353 HydrophobicContact CG-CZ 4Å; L347-F353 VanDerWaalsContact O-CB 3.25Å; L347-F353 WeakPolarHBondContact O-CB 3.31Å; L347-F353 WeakPolarHBondContact O-CG 3.42Å; L350-F353 HydrophobicContact CB-CB 4.06Å; L350-F353 VanDerWaalsContact O-CB 3.28Å; L350-F353 WeakPolarHBondContact O-CB 3.24Å; L350-F353 PolarHBondContact O-N 3.1Å; S351-F353 PolarHBondContact O-N 2.93Å; F353-Q355 PolarHBondContact O-N 2.81Å; F353-M356 HydrophobicContact CD2-CB 3.79Å; F353-M356 HydrophobicContact CD2-CG 3.98Å; F353-M356 HydrophobicContact CE2-CB 3.76Å; F353-M356 HydrophobicContact CE2-CG 4.31Å; F353-M356 HydrophobicContact CG-CB 4.42Å; F353-M356 HydrophobicContact CZ-CB 4.37Å; F353-M356 VanDerWaalsContact O-CB 3.31Å; F353-M356 WeakPolarHBondContact O-CB 3.42Å; F353-M356 PolarHBondContact O-N 3.47Å; F353-W357 AromaticContact CD1-CE2 3.88Å; F353-W357 HydrophobicContact CD1-CZ2 4.03Å; F353-W357 AromaticContact CD1-NE1 3.93Å; F353-W357 AromaticContact CE1-CD2 4Å; F353-W357 HydrophobicContact CE1-CD2 4Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.34Å; F353-W357 HydrophobicContact CE1-CH2 4.01Å; F353-W357 AromaticContact CE1-CZ2 3.62Å; F353-W357 HydrophobicContact CE1-CZ2 3.62Å; F353-W357 HydrophobicContact CE1-CZ3 4.34Å
354Q86.1Confident94.7Very high75 Ų7556.7 Ų56.735%0.3530%0.303SS..G310 helixtrans-58.8-25.7-176.4-63.7-60.2-18.300113.8S351 T352 M356 W357S351-Q354 WeakPolarHBondContact O-CB 3.38Å; S351-Q354 WeakPolarHBondContact O-CG 3.19Å; S351-Q354 PolarHBondContact O-N 3.01Å; T352-Q354 VanDerWaalsContact C-N 3.31Å; Q354-M356 VanDerWaalsContact C-N 3.34Å; Q354-W357 VanDerWaalsContact OE1-NE1 3.08Å
355Q89.6Confident94.7Very high167 Ų16763.2 Ų63.278%0.7833%0.333SS*.G310 helixtrans-82.1-12.6177.4-59.5-177.97.700113.7F353F353-Q355 PolarHBondContact O-N 2.81Å
356M93.8Very high94.6Very high80 Ų8065.1 Ų65.139%0.39435%0.346SS..THydrogen-bonded Turntrans-87-20.1-176.7-62.3-57.7-62.100112.9Y134 F353 Q354Y134-M356 WeakPolarHBondContact CD2-O 2.98Å; Y134-M356 HydrophobicContact CE2-CB 4.19Å; F353-M356 HydrophobicContact CD2-CB 3.79Å; F353-M356 HydrophobicContact CD2-CG 3.98Å; F353-M356 HydrophobicContact CE2-CB 3.76Å; F353-M356 HydrophobicContact CE2-CG 4.31Å; F353-M356 HydrophobicContact CG-CB 4.42Å; F353-M356 HydrophobicContact CZ-CB 4.37Å; F353-M356 VanDerWaalsContact O-CB 3.31Å; F353-M356 WeakPolarHBondContact O-CB 3.42Å; F353-M356 PolarHBondContact O-N 3.47Å; Q354-M356 VanDerWaalsContact C-N 3.34Å
357W96.7Very high94.7Very high14 Ų1462.8 Ų62.85%0.05334%0.34CS..SBendtrans-54.1144.4174.8-67.7117.6000111.4A8 P103 L105 A132 A348 F353 Q354 K374A8-W357 HydrophobicContact CB-CH2 3.85Å; A8-W357 HydrophobicContact CB-CZ2 3.68Å; P103-W357 HydrophobicContact CB-CD2 4.37Å; P103-W357 HydrophobicContact CB-CE3 4.38Å; P103-W357 HydrophobicContact CB-CH2 4.09Å; P103-W357 HydrophobicContact CB-CZ2 4.06Å; P103-W357 HydrophobicContact CB-CZ3 4.26Å; L105-W357 HydrophobicContact CB-CH2 3.87Å; L105-W357 HydrophobicContact CB-CZ3 4.15Å; A132-W357 HydrophobicContact CB-CB 4.09Å; A132-W357 HydrophobicContact CB-CG 4.42Å; A348-W357 HydrophobicContact CB-CH2 4.28Å; A348-W357 HydrophobicContact CB-CZ2 4.05Å; F353-W357 AromaticContact CD1-CE2 3.88Å; F353-W357 HydrophobicContact CD1-CZ2 4.03Å; F353-W357 AromaticContact CD1-NE1 3.93Å; F353-W357 AromaticContact CE1-CD2 4Å; F353-W357 HydrophobicContact CE1-CD2 4Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.34Å; F353-W357 HydrophobicContact CE1-CH2 4.01Å; F353-W357 AromaticContact CE1-CZ2 3.62Å; F353-W357 HydrophobicContact CE1-CZ2 3.62Å; F353-W357 HydrophobicContact CE1-CZ3 4.34Å; Q354-W357 VanDerWaalsContact OE1-NE1 3.08Å; W357-K374 PolarHBondContact O-NZ 3.17Å
358I98.1Very high94.8Very high0 Ų063.4 Ų63.40%035%0.345CS..EExtended strand (participates in β ladder)trans-85.9117.6162.8-57.3161.9000105.2F125 A132 M133 E362 I370 V371 K374F125-I358 HydrophobicContact CE2-CB 4.44Å; F125-I358 HydrophobicContact CE2-CG2 3.81Å; F125-I358 HydrophobicContact CZ-CB 4.26Å; F125-I358 HydrophobicContact CZ-CG2 3.83Å; F125-I358 WeakPolarHBondContact CZ-O 3.39Å; A132-I358 CarbonylContact C-O 3.59Å; A132-I358 WeakPolarHBondContact CA-O 3.43Å; A132-I358 WeakPolarHBondContact CB-O 3.44Å; M133-I358 PolarHBondContact N-O 3.33Å; M133-I358 WeakPolarHBondContact O-CB 3.23Å; M133-I358 PolarHBondContact O-N 3.01Å; I358-E362 HydrophobicContact CG2-CB 4.47Å; I358-I370 HydrophobicContact CD1-CG2 4.33Å; I358-I370 HydrophobicContact CG2-CG1 4.08Å; I358-I370 HydrophobicContact CG2-CG2 3.61Å; I358-V371 HydrophobicContact CD1-CB 4.21Å; I358-V371 HydrophobicContact CD1-CG2 4.3Å; I358-K374 HydrophobicContact CD1-CB 4.17Å; I358-K374 HydrophobicContact CG1-CB 3.68Å; I358-K374 HydrophobicContact CG1-CG 4.01Å
359S97.6Very high94.8Very high39 Ų3966.2 Ų66.227%0.27336%0.364SS..EExtended strand (participates in β ladder)trans-82.2158.4174.163.40000111.6Q361 E362 Y363S359-Q361 PolarHBondContact O-N 2.58Å; S359-E362 PolarHBondContact N-OE2 2.72Å; S359-E362 PolarHBondContact O-N 3.36Å; S359-E362 VanDerWaalsContact O-N 3.15Å; S359-E362 VanDerWaalsContact OG-CG 3.3Å; S359-E362 WeakPolarHBondContact OG-CG 3.25Å; S359-E362 PolarHBondContact OG-N 2.84Å; S359-E362 PolarHBondContact OG-OE2 3.07Å; S359-Y363 PolarHBondContact O-N 2.93Å
360K97.5Very high95Very high58 Ų5863.4 Ų63.425%0.25234%0.344SS..Hα-helixtrans-54.2-38.6172.4-179.864-177.6173.70112.2F125 P131 Y363 D364F125-K360 HydrophobicContact CB-CD 4.2Å; F125-K360 HydrophobicContact CD1-CB 4.18Å; F125-K360 HydrophobicContact CD1-CD 3.57Å; F125-K360 HydrophobicContact CD1-CG 4.49Å; F125-K360 HydrophobicContact CE1-CB 4.05Å; F125-K360 HydrophobicContact CE1-CD 4.29Å; F125-K360 HydrophobicContact CG-CD 4.21Å; F125-K360 PolarHBondContact O-NZ 3.18Å; P131-K360 PolarHBondContact O-N 3.35Å; K360-Y363 WeakPolarHBondContact O-CB 3.31Å; K360-Y363 PolarHBondContact O-N 3.41Å; K360-D364 VanDerWaalsContact CE-OD1 3.22Å; K360-D364 WeakPolarHBondContact CE-OD1 3.21Å; K360-D364 IonicContact NZ-OD1 3.3Å; K360-D364 PolarHBondContact NZ-OD1 2.94Å; K360-D364 PolarHBondContact O-N 3.25Å
361Q97.4Very high95.3Very high130 Ų13059.6 Ų59.661%0.60732%0.324SS*.Hα-helixtrans-62-48.7176.3-176.5-175.2-10.600112.1S359 Y363 D364 E365S359-Q361 PolarHBondContact O-N 2.58Å; Q361-Y363 PolarHBondContact O-N 3.22Å; Q361-D364 PolarHBondContact O-N 2.86Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.37Å; Q361-E365 PolarHBondContact NE2-OE1 2.81Å; Q361-E365 WeakPolarHBondContact O-CG 3.42Å; Q361-E365 PolarHBondContact O-N 3.33Å
362E97.7Very high95.6Very high53 Ų5357 Ų5725%0.24830%0.301CS..Hα-helixtrans-62.5-35.5178.4-71.4169.2127.100111.8I358 S359 S366 I370 K374I358-E362 HydrophobicContact CG2-CB 4.47Å; S359-E362 PolarHBondContact N-OE2 2.72Å; S359-E362 PolarHBondContact O-N 3.36Å; S359-E362 VanDerWaalsContact O-N 3.15Å; S359-E362 VanDerWaalsContact OG-CG 3.3Å; S359-E362 WeakPolarHBondContact OG-CG 3.25Å; S359-E362 PolarHBondContact OG-N 2.84Å; S359-E362 PolarHBondContact OG-OE2 3.07Å; E362-S366 WeakPolarHBondContact O-CB 3.32Å; E362-S366 PolarHBondContact O-N 3.08Å; E362-I370 HydrophobicContact CB-CG1 4.49Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 2.7Å; E362-K374 PolarHBondContact OE1-NZ 3Å; E362-K374 IonicContact OE2-NZ 2.74Å
363Y98.2Very high95.8Very high9 Ų961 Ų614%0.03530%0.304CS..Hα-helixtrans-63.6-48.7172.2174.2-96.4000112.1T121 F125 E126 S359 K360 Q361 E365 S366 G367 P368T121-Y363 HydrophobicContact CG2-CD2 3.82Å; T121-Y363 HydrophobicContact CG2-CE2 4.02Å; F125-Y363 HydrophobicContact CB-CD1 3.63Å; F125-Y363 HydrophobicContact CB-CD2 4.26Å; F125-Y363 HydrophobicContact CB-CE1 3.74Å; F125-Y363 HydrophobicContact CB-CE2 4.32Å; F125-Y363 HydrophobicContact CB-CG 3.91Å; F125-Y363 HydrophobicContact CD1-CG 4.47Å; F125-Y363 AromaticContact CD2-CD1 3.98Å; F125-Y363 HydrophobicContact CD2-CD1 3.98Å; F125-Y363 AromaticContact CD2-CD2 3.32Å; F125-Y363 HydrophobicContact CD2-CD2 3.32Å; F125-Y363 AromaticContact CD2-CE2 3.95Å; F125-Y363 HydrophobicContact CD2-CE2 3.95Å; F125-Y363 AromaticContact CD2-CG 3.32Å; F125-Y363 HydrophobicContact CD2-CG 3.32Å; F125-Y363 AromaticContact CE2-CD2 3.88Å; F125-Y363 HydrophobicContact CE2-CD2 3.88Å; F125-Y363 AromaticContact CE2-CG 3.85Å; F125-Y363 HydrophobicContact CE2-CG 3.85Å; F125-Y363 AromaticContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD2 4.06Å; F125-Y363 HydrophobicContact CG-CE1 4.42Å; F125-Y363 AromaticContact CG-CG 3.67Å; F125-Y363 HydrophobicContact CG-CG 3.67Å; E126-Y363 VanDerWaalsContact CD-OH 3.29Å; E126-Y363 HydrophobicContact CG-CE1 4.08Å; E126-Y363 PolarHBondContact OE1-OH 3.21Å; S359-Y363 PolarHBondContact O-N 2.93Å; K360-Y363 WeakPolarHBondContact O-CB 3.31Å; K360-Y363 PolarHBondContact O-N 3.41Å; Q361-Y363 PolarHBondContact O-N 3.22Å; Y363-E365 PolarHBondContact O-N 3.07Å; Y363-S366 PolarHBondContact O-N 2.99Å; Y363-G367 WeakPolarHBondContact O-CA 3.18Å; Y363-G367 PolarHBondContact O-N 3.03Å; Y363-P368 HydrophobicContact CE2-CB 4.35Å; Y363-P368 HydrophobicContact CE2-CG 3.91Å
364D98Very high96Very high105 Ų10562.9 Ų62.956%0.56131%0.312SS*.Hα-helixtrans-63.4-29.3-178.9-66.5-22.6000111.6K360 Q361K360-D364 VanDerWaalsContact CE-OD1 3.22Å; K360-D364 WeakPolarHBondContact CE-OD1 3.21Å; K360-D364 IonicContact NZ-OD1 3.3Å; K360-D364 PolarHBondContact NZ-OD1 2.94Å; K360-D364 PolarHBondContact O-N 3.25Å; Q361-D364 PolarHBondContact O-N 2.86Å
365E97.6Very high96.2Very high136 Ų13660 Ų6064%0.63630%0.3SS*.Hα-helixtrans-79.4-39.4176.5-70.8175.1-166.600114Q361 Y363Q361-E365 WeakPolarHBondContact CG-OE1 3.37Å; Q361-E365 PolarHBondContact NE2-OE1 2.81Å; Q361-E365 WeakPolarHBondContact O-CG 3.42Å; Q361-E365 PolarHBondContact O-N 3.33Å; Y363-E365 PolarHBondContact O-N 3.07Å
366S97.1Very high96Very high44 Ų4457 Ų5731%0.30828%0.284SS..Hα-helixtrans-111.4-10.1-170.3-640000114.8E362 Y363 S369E362-S366 WeakPolarHBondContact O-CB 3.32Å; E362-S366 PolarHBondContact O-N 3.08Å; Y363-S366 PolarHBondContact O-N 2.99Å; S366-S369 PolarHBondContact O-OG 3.15Å
367G97.5Very high96.1Very high21 Ų2155.9 Ų55.922%0.21628%0.279CS..  trans64.4-168.5-171.900000113.9Y363 S369 I370Y363-G367 WeakPolarHBondContact O-CA 3.18Å; Y363-G367 PolarHBondContact O-N 3.03Å; G367-S369 PolarHBondContact O-N 3.24Å; G367-I370 VanDerWaalsContact O-CG2 3.23Å; G367-I370 WeakPolarHBondContact O-CG2 3.44Å; G367-I370 PolarHBondContact O-N 3.33Å
368P97.3Very high96.1Very high35 Ų3558.1 Ų58.123%0.22729%0.291CS..G310 helixtrans-56.3-26.1-176.1-27.634.4000115.5E118 Q122 Y363 I370 V371E118-P368 HydrophobicContact CB-CB 3.75Å; E118-P368 HydrophobicContact CG-CB 4.08Å; Q122-P368 HydrophobicContact CB-CG 4.16Å; Y363-P368 HydrophobicContact CE2-CB 4.35Å; Y363-P368 HydrophobicContact CE2-CG 3.91Å; P368-I370 PolarHBondContact O-N 3.02Å; P368-I370 VanDerWaalsContact O-N 3.15Å; P368-V371 VanDerWaalsContact O-CG1 3.31Å; P368-V371 WeakPolarHBondContact O-CG1 3.3Å; P368-V371 PolarHBondContact O-N 3.35Å
369S97.4Very high96Very high61 Ų6161.3 Ų61.343%0.42731%0.307SS..G310 helixtrans-65.5-15.4-177.474.30000114.3S366 G367 V371 H372S366-S369 PolarHBondContact O-OG 3.15Å; G367-S369 PolarHBondContact O-N 3.24Å; S369-V371 PolarHBondContact O-N 3.26Å; S369-V371 VanDerWaalsContact O-N 3.14Å; S369-H372 PolarHBondContact O-CD2 2.88Å; S369-H372 PolarHBondContact O-N 2.9Å; S369-H372 VanDerWaalsContact O-N 3.12Å
370I97.6Very high95.9Very high7 Ų762.6 Ų62.64%0.03631%0.309CS..G310 helixtrans-55.7-29.8178.1-170.157.5000112.9T121 I358 E362 G367 P368 H372 R373 K374T121-I370 HydrophobicContact CG2-CG2 4.35Å; I358-I370 HydrophobicContact CD1-CG2 4.33Å; I358-I370 HydrophobicContact CG2-CG1 4.08Å; I358-I370 HydrophobicContact CG2-CG2 3.61Å; E362-I370 HydrophobicContact CB-CG1 4.49Å; G367-I370 VanDerWaalsContact O-CG2 3.23Å; G367-I370 WeakPolarHBondContact O-CG2 3.44Å; G367-I370 PolarHBondContact O-N 3.33Å; P368-I370 PolarHBondContact O-N 3.02Å; P368-I370 VanDerWaalsContact O-N 3.15Å; I370-H372 PolarHBondContact O-N 3.49Å; I370-R373 PolarHBondContact O-N 3.3Å; I370-K374 HydrophobicContact CD1-CG 4.27Å; I370-K374 HydrophobicContact CG1-CG 4.29Å; I370-K374 PolarHBondContact O-N 2.98Å; I370-K374 VanDerWaalsContact O-N 3.17Å
371V97.5Very high95.8Very high0 Ų062.9 Ų62.90%031%0.313CS..Hα-helixtrans-57.2-34.3178.471.10000112.9R117 E118 T121 V135 I358 P368 S369 R373 C375 F376R117-V371 HydrophobicContact CB-CG1 3.79Å; R117-V371 HydrophobicContact CB-CG2 4.28Å; E118-V371 HydrophobicContact CG-CG1 4.43Å; T121-V371 WeakPolarHBondContact OG1-CB 3.32Å; V135-V371 HydrophobicContact CB-CG2 4.32Å; V135-V371 HydrophobicContact CG2-CG2 4.03Å; I358-V371 HydrophobicContact CD1-CB 4.21Å; I358-V371 HydrophobicContact CD1-CG2 4.3Å; P368-V371 VanDerWaalsContact O-CG1 3.31Å; P368-V371 WeakPolarHBondContact O-CG1 3.3Å; P368-V371 PolarHBondContact O-N 3.35Å; S369-V371 PolarHBondContact O-N 3.26Å; S369-V371 VanDerWaalsContact O-N 3.14Å; V371-R373 PolarHBondContact O-N 2.88Å; V371-C375 HydrophobicContact CG2-CB 4.26Å; V371-C375 WeakPolarHBondContact O-CB 3.5Å; V371-C375 PolarHBondContact O-N 3.14Å; V371-C375 VanDerWaalsContact O-N 3.08Å; V371-F376 HydrophobicContact CG2-CE2 4.31Å
372H96.1Very high95.7Very high44 Ų4458.4 Ų58.420%0.20429%0.293CS..Hα-helixtrans-74.4-15179.4-53.4-54.2000113.5K114 E118 S369 I370K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 3.2Å; K114-H372 PolarHBondContact O-CE1 3.05Å; E118-H372 WeakPolarHBondContact CG-NE2 3.22Å; E118-H372 IonicContact OE1-CD2 3.39Å; E118-H372 IonicContact OE1-CE1 2.67Å; E118-H372 IonicContact OE1-NE2 3.9Å; E118-H372 PolarHBondContact OE1-NE2 3.19Å; S369-H372 PolarHBondContact O-CD2 2.88Å; S369-H372 PolarHBondContact O-N 2.9Å; S369-H372 VanDerWaalsContact O-N 3.12Å; I370-H372 PolarHBondContact O-N 3.49Å
373R93.4Very high95.5Very high192 Ų19258.8 Ų58.873%0.72530%0.296SS*.Hα-helixtrans-96.8-33.8179.2-171.2-173.6-62.1168.83.8111.9I370 V371I370-R373 PolarHBondContact O-N 3.3Å; V371-R373 PolarHBondContact O-N 2.88Å
374K93.4Very high95.3Very high50 Ų5062.6 Ų62.622%0.21732%0.316CS..Hα-helixtrans-95.9-30.3-172.7-79.9-82.3-164.8141.20113.7W357 I358 E362 I370W357-K374 PolarHBondContact O-NZ 3.17Å; I358-K374 HydrophobicContact CD1-CB 4.17Å; I358-K374 HydrophobicContact CG1-CB 3.68Å; I358-K374 HydrophobicContact CG1-CG 4.01Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 2.7Å; E362-K374 PolarHBondContact OE1-NZ 3Å; E362-K374 IonicContact OE2-NZ 2.74Å; I370-K374 HydrophobicContact CD1-CG 4.27Å; I370-K374 HydrophobicContact CG1-CG 4.29Å; I370-K374 PolarHBondContact O-N 2.98Å; I370-K374 VanDerWaalsContact O-N 3.17Å
375C91.8Very high95.1Very high14 Ų1459.1 Ų59.110%0.09530%0.296CS..  trans-106.9-18.5-172.5-60.80000114.6Y134 V135 V371Y134-C375 WeakPolarHBondContact CD2-SG 3.22Å; Y134-C375 HydrophobicContact CE2-CB 4.15Å; Y134-C375 VanDerWaalsContact CE2-SG 3.51Å; V135-C375 PolarHBondContact N-SG 2.91Å; V135-C375 WeakPolarHBondContact O-CB 3.22Å; V371-C375 HydrophobicContact CG2-CB 4.26Å; V371-C375 WeakPolarHBondContact O-CB 3.5Å; V371-C375 PolarHBondContact O-N 3.14Å; V371-C375 VanDerWaalsContact O-N 3.08Å
376F84.7Confident94.9Very high105 Ų10552.1 Ų52.146%0.46127%0.265SS..  trans-140.50-168.3-60.8-76.3000114.4E108 R117 V135 I137 V371E108-F376 VanDerWaalsContact CD-CZ 3.43Å; E108-F376 HydrophobicContact CG-CZ 4.21Å; E108-F376 WeakPolarHBondContact OE1-CE1 3.34Å; E108-F376 WeakPolarHBondContact OE1-CZ 3.33Å; R117-F376 HydrophobicContact CG-CE2 4.21Å; V135-F376 HydrophobicContact CB-CE2 4.32Å; V135-F376 HydrophobicContact CB-CZ 4.36Å; V135-F376 HydrophobicContact CG1-CE2 4.35Å; V135-F376 HydrophobicContact CG1-CZ 4.03Å; I137-F376 HydrophobicContact CD1-CD1 4.39Å; I137-F376 HydrophobicContact CD1-CE1 4.08Å; I137-F376 HydrophobicContact CG1-CD1 4.5Å; I137-F376 HydrophobicContact CG1-CE1 3.73Å; V371-F376 HydrophobicContact CG2-CE2 4.31Å

Retrieved 376 of 376 residues in 1123.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).