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Actin-2

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession P53471, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 376 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.2Very low74.2Confident236 Ų23692.2 Ų92.2100%1.16349%0.489SS*.  0117.30-72.1163.4177.700103.7D3M1-D3 PolarHBondContact O-N 3.21Å
2A39.2Very low76.2Confident92 Ų9284.8 Ų84.876%0.7645%0.45SS*.  trans-56.4126.3168.900000105.2E4A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 2.88Å
3D46.3Very low77.7Confident161 Ų16179.2 Ų79.286%0.86142%0.42SS*.  trans-51.5107.7167.6-71.2-41.3000105M1 E5M1-D3 PolarHBondContact O-N 3.21Å; D3-E5 VanDerWaalsContact C-N 3.33Å; D3-E5 PolarHBondContact O-N 3.35Å
4E53.7Low78.9Confident180 Ų18074.4 Ų74.484%0.84140%0.399SS*.  trans-59107.9173.9-83-177160.600104.7A2 V6A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 2.88Å; E4-V6 PolarHBondContact O-N 3.17Å
5E71.4Confident80Confident152 Ų15270 Ų7071%0.7138%0.376SS*.  trans-59.1107.9-175.7-149.5175.9-166.200106.4D3 Q7D3-E5 VanDerWaalsContact C-N 3.33Å; D3-E5 PolarHBondContact O-N 3.35Å; E5-Q7 PolarHBondContact O-N 2.91Å
6V85.4Confident80.9Confident85 Ų8566.4 Ų66.452%0.51536%0.361SS..PPolyproline II helixtrans-56.9117.6-172.5171.30000108.5E4 A8 E101E4-V6 PolarHBondContact O-N 3.17Å; V6-A8 PolarHBondContact O-N 3.43Å; V6-E101 WeakPolarHBondContact CG1-O 3.28Å
7Q92.7Very high81.8Confident101 Ų10166.8 Ų66.847%0.47236%0.361SS..PPolyproline II helixtrans-65.6127.9-178.5-73.3-173.7-32.400110.5E5 F22 H102E5-Q7 PolarHBondContact O-N 2.91Å; Q7-F22 HydrophobicContact CB-CD1 4.06Å; Q7-H102 PolarHBondContact O-ND1 3.29Å
8A97.4Very high82.7Confident7 Ų763.1 Ų63.16%0.05834%0.341CS..PPolyproline II helixtrans-71.5152174.900000111.5V6 A23 P103 A348 W357V6-A8 PolarHBondContact O-N 3.43Å; A8-A23 HydrophobicContact CB-CB 4.1Å; A8-A23 WeakPolarHBondContact O-CB 3.34Å; A8-A23 PolarHBondContact O-N 3.06Å; A8-P103 CarbonylContact C-O 3.58Å; A8-P103 VanDerWaalsContact CA-O 3.28Å; A8-P103 WeakPolarHBondContact CA-O 3.49Å; A8-P103 HydrophobicContact CB-CB 4.03Å; A8-A348 HydrophobicContact CB-CB 4.16Å; A8-W357 HydrophobicContact CB-CH2 3.88Å; A8-W357 HydrophobicContact CB-CZ2 3.66Å
9L98.4Very high83.6Confident0 Ų061.1 Ų61.10%033%0.329CS..EExtended strand (participates in β ladder)trans-96.6143170.3-57177.8000109.8G21 F22 F91 L95 V97 H102 P103 V104 L105L9-G21 WeakPolarHBondContact CA-O 3.4Å; L9-F22 HydrophobicContact CD2-CD1 3.65Å; L9-F22 HydrophobicContact CD2-CD2 4.29Å; L9-F22 HydrophobicContact CD2-CE1 3.64Å; L9-F22 HydrophobicContact CD2-CE2 4.28Å; L9-F22 HydrophobicContact CD2-CG 4.01Å; L9-F22 HydrophobicContact CD2-CZ 4Å; L9-F91 HydrophobicContact CD1-CD1 3.85Å; L9-F91 HydrophobicContact CD1-CE1 3.92Å; L9-L95 HydrophobicContact CD1-CD1 4.24Å; L9-L95 HydrophobicContact CD2-CD1 4.09Å; L9-V97 HydrophobicContact CD1-CG2 3.73Å; L9-V97 HydrophobicContact CD2-CG2 4.5Å; L9-H102 HydrophobicContact CD1-CB 3.92Å; L9-H102 HydrophobicContact CG-CB 3.79Å; L9-P103 PolarHBondContact N-O 2.97Å; L9-V104 HydrophobicContact CB-CG2 4.38Å; L9-V104 HydrophobicContact CD1-CG2 4.44Å; L9-L105 PolarHBondContact O-N 3.46Å
10V98.7Very high84.3Confident0 Ų058.1 Ų58.10%031%0.312CS..EExtended strand (participates in β ladder)trans-117.2123.8173.8179.90000108.2A20 G21 A23 L105 W341 A348V10-A20 VanDerWaalsContact O-CA 3.25Å; V10-A20 WeakPolarHBondContact O-CA 3.43Å; V10-G21 PolarHBondContact N-O 2.89Å; V10-G21 PolarHBondContact O-N 3.29Å; V10-G21 VanDerWaalsContact O-N 3.15Å; V10-A23 HydrophobicContact CG2-CB 4.23Å; V10-L105 WeakPolarHBondContact CA-O 3.47Å; V10-L105 HydrophobicContact CG1-CD2 4.19Å; V10-L105 HydrophobicContact CG2-CB 4.37Å; V10-W341 HydrophobicContact CG1-CG 4.22Å; V10-W341 PolarHBondContact O-NE1 2.83Å; V10-A348 HydrophobicContact CG2-CB 4.35Å
11V98.7Very high85Confident0 Ų055.3 Ų55.30%030%0.297CS..EExtended strand (participates in β ladder)trans-123.8104.6179.5-173.20000109.6N13 K19 A20 T90 F91 V104 L105 L106 T107V11-N13 PolarHBondContact O-N 2.98Å; V11-K19 WeakPolarHBondContact CA-O 3.32Å; V11-A20 HydrophobicContact CG2-CB 4.31Å; V11-T90 HydrophobicContact CG1-CG2 4.24Å; V11-T90 HydrophobicContact CG2-CG2 4.21Å; V11-F91 HydrophobicContact CG2-CE1 4.07Å; V11-V104 HydrophobicContact CG2-CG1 4.27Å; V11-L105 PolarHBondContact N-O 2.98Å; V11-L106 HydrophobicContact CB-CD2 3.91Å; V11-L106 HydrophobicContact CG1-CD2 4.42Å; V11-L106 HydrophobicContact CG2-CD2 4.42Å; V11-T107 PolarHBondContact O-N 3.25Å; V11-T107 VanDerWaalsContact O-N 3.13Å
12D98.4Very high88Confident3 Ų344.7 Ų44.72%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-83.9106.2173.3170.228.3000110.7G14 C18 K19 T107 Q138 V340 W341D12-G14 PolarHBondContact O-N 3.24Å; D12-G14 VanDerWaalsContact O-N 3.12Å; D12-C18 WeakPolarHBondContact O-CA 3.49Å; D12-K19 HydrophobicContact CB-CB 4.2Å; D12-K19 PolarHBondContact N-O 3.1Å; D12-K19 PolarHBondContact O-N 3.39Å; D12-K19 VanDerWaalsContact O-N 3.09Å; D12-K19 IonicContact OD2-NZ 3.2Å; D12-K19 PolarHBondContact OD2-NZ 3.34Å; D12-T107 VanDerWaalsContact CA-OG1 3.27Å; D12-T107 WeakPolarHBondContact CA-OG1 3.45Å; D12-T107 HydrophobicContact CB-CG2 4.16Å; D12-T107 PolarHBondContact OD1-OG1 2.88Å; D12-T107 VanDerWaalsContact OD1-OG1 3.09Å; D12-Q138 PolarHBondContact OD1-NE2 3.29Å; D12-V340 HydrophobicContact CB-CG1 4.03Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.49Å; D12-W341 HydrophobicContact CB-CB 4.24Å
13N95.5Very high90.8Very high12 Ų1240.7 Ų40.76%0.06421%0.211CC..EExtended strand (participates in β ladder)trans-84.176.1-176.3-58.4-59.3000111.5V11 I72 M83 W87 T107V11-N13 PolarHBondContact O-N 2.98Å; N13-I72 HydrophobicContact CB-CD1 4.18Å; N13-M83 HydrophobicContact CB-CE 4.27Å; N13-M83 VanDerWaalsContact OD1-CE 3.26Å; N13-M83 WeakPolarHBondContact OD1-CE 3.46Å; N13-W87 PolarHBondContact OD1-NE1 3.09Å; N13-T107 PolarHBondContact N-OG1 2.73Å; N13-T107 VanDerWaalsContact N-OG1 3.07Å; N13-T107 PolarHBondContact ND2-O 2.99Å; N13-T107 VanDerWaalsContact ND2-O 3.14Å
14G95.4Very high93Very high12 Ų1235.3 Ų35.312%0.12419%0.194CC..  trans-82.4147.9176.600000113.7D12 G16 M17 S34D12-G14 PolarHBondContact O-N 3.24Å; D12-G14 VanDerWaalsContact O-N 3.12Å; G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.16Å; G14-M17 WeakPolarHBondContact CA-O 3.42Å; G14-M17 PolarHBondContact N-O 2.92Å; G14-S34 VanDerWaalsContact O-CB 3.28Å; G14-S34 WeakPolarHBondContact O-CB 3.2Å; G14-S34 PolarHBondContact O-OG 3Å
15S94.8Very high95Very high9 Ų928.9 Ų28.96%0.06317%0.166CC..SBendtrans-64.9-27.3178.5-51.30000115I72 G75 R184S15-I72 WeakPolarHBondContact OG-CG2 3.47Å; S15-G75 WeakPolarHBondContact OG-CA 3.21Å; S15-G75 PolarHBondContact OG-N 3.34Å; S15-R184 PolarHBondContact O-NH2 3.36Å; S15-R184 VanDerWaalsContact O-NH2 3.14Å
16G94.8Very high96Very high12 Ų1229 Ų2912%0.12417%0.172CC..SBendtrans-100.7-41176.400000112.7G14 P33 S34G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.16Å; G16-P33 WeakPolarHBondContact O-CA 3.21Å; G16-S34 PolarHBondContact O-N 3.28Å
17M96.6Very high96.5Very high73 Ų7327.4 Ų27.436%0.3617%0.167SC..EExtended strand (participates in β ladder)trans-138.3134.2-173.8-57.2-63.7-7000110.6G14 V31 F32 P33G14-M17 WeakPolarHBondContact CA-O 3.42Å; G14-M17 PolarHBondContact N-O 2.92Å; M17-V31 HydrophobicContact CE-CG1 3.75Å; M17-F32 CarbonylContact C-O 3.55Å; M17-F32 WeakPolarHBondContact CA-O 3.49Å; M17-F32 VanDerWaalsContact CE-C 3.43Å; M17-P33 HydrophobicContact CE-CG 4.3Å; M17-P33 HydrophobicContact SD-CB 4.24Å; M17-P33 HydrophobicContact SD-CG 4.07Å
18C97.9Very high96.7Very high0 Ų023.5 Ų23.50%015%0.15CC..EExtended strand (participates in β ladder)trans-87.9141.3166-174.90000108.7D12 V31 F32 S34D12-C18 WeakPolarHBondContact O-CA 3.49Å; C18-V31 WeakPolarHBondContact O-CA 3.38Å; C18-F32 HydrophobicContact CB-CD1 4.36Å; C18-F32 HydrophobicContact CB-CD2 4.34Å; C18-F32 HydrophobicContact CB-CE1 3.81Å; C18-F32 HydrophobicContact CB-CE2 3.79Å; C18-F32 HydrophobicContact CB-CZ 3.5Å; C18-F32 VanDerWaalsContact CB-CZ 3.5Å; C18-F32 PolarHBondContact N-O 3.36Å; C18-F32 PolarHBondContact O-N 2.9Å; C18-S34 PolarHBondContact N-OG 3.23Å
19K98.6Very high96.8Very high26 Ų2630 Ų3011%0.11317%0.174CC..EExtended strand (participates in β ladder)trans-129.8129.7174.5-46.1175.8-163.568.80108.9V11 D12 P28 A30 V31 K337 Y338 W341V11-K19 WeakPolarHBondContact CA-O 3.32Å; D12-K19 HydrophobicContact CB-CB 4.2Å; D12-K19 PolarHBondContact N-O 3.1Å; D12-K19 PolarHBondContact O-N 3.39Å; D12-K19 VanDerWaalsContact O-N 3.09Å; D12-K19 IonicContact OD2-NZ 3.2Å; D12-K19 PolarHBondContact OD2-NZ 3.34Å; K19-P28 HydrophobicContact CB-CB 4.05Å; K19-P28 HydrophobicContact CB-CG 4.31Å; K19-A30 CarbonylContact C-O 3.55Å; K19-A30 VanDerWaalsContact CA-O 3.31Å; K19-A30 WeakPolarHBondContact CA-O 3.39Å; K19-V31 HydrophobicContact CB-CG2 4.28Å; K19-V31 HydrophobicContact CG-CG1 4.2Å; K19-V31 HydrophobicContact CG-CG2 4.1Å; K19-K337 WeakPolarHBondContact CE-O 3.46Å; K19-Y338 HydrophobicContact CD-CD1 3.71Å; K19-Y338 HydrophobicContact CD-CE1 4.27Å; K19-W341 HydrophobicContact CB-CB 4.46Å; K19-W341 HydrophobicContact CB-CG 4.47Å
20A98.7Very high96.7Very high0 Ų030.3 Ų30.30%018%0.176CC..EExtended strand (participates in β ladder)trans-141.3151.6-175.200000112.3V10 V11 P28 R29 A30 T90 L95V10-A20 VanDerWaalsContact O-CA 3.25Å; V10-A20 WeakPolarHBondContact O-CA 3.43Å; V11-A20 HydrophobicContact CG2-CB 4.31Å; A20-P28 CarbonylContact O-C 3.51Å; A20-R29 PolarHBondContact O-N 3.49Å; A20-A30 PolarHBondContact N-O 3.34Å; A20-A30 PolarHBondContact O-N 2.89Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; A20-L95 HydrophobicContact CB-CD1 4.02Å; A20-L95 HydrophobicContact CB-CD2 4.3Å; A20-L95 HydrophobicContact CB-CG 4.28Å
21G98.5Very high96.7Very high0 Ų032.7 Ų32.70%019%0.19CC..EExtended strand (participates in β ladder)trans176.7-173.2179.500000111.5L9 V10L9-G21 WeakPolarHBondContact CA-O 3.4Å; V10-G21 PolarHBondContact N-O 2.89Å; V10-G21 PolarHBondContact O-N 3.29Å; V10-G21 VanDerWaalsContact O-N 3.15Å
22F97.9Very high96.7Very high14 Ų1432.7 Ų32.76%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-93142.2-179.3-65.3-105.4000109.9Q7 L9 G24 D25 R29 V97 H102Q7-F22 HydrophobicContact CB-CD1 4.06Å; L9-F22 HydrophobicContact CD2-CD1 3.65Å; L9-F22 HydrophobicContact CD2-CD2 4.29Å; L9-F22 HydrophobicContact CD2-CE1 3.64Å; L9-F22 HydrophobicContact CD2-CE2 4.28Å; L9-F22 HydrophobicContact CD2-CG 4.01Å; L9-F22 HydrophobicContact CD2-CZ 4Å; F22-G24 PolarHBondContact O-N 2.87Å; F22-D25 WeakPolarHBondContact O-CB 3.38Å; F22-D25 PolarHBondContact O-N 3.3Å; F22-R29 HydrophobicContact CD2-CG 4.42Å; F22-R29 VanDerWaalsContact CD2-NE 3.29Å; F22-R29 VanDerWaalsContact CE2-CZ 3.45Å; F22-V97 HydrophobicContact CE1-CG1 4.23Å; F22-V97 HydrophobicContact CZ-CG1 3.58Å; F22-H102 AromaticContact CE1-CE1 3.94Å
23A96.5Very high96.6Very high7 Ų733.3 Ų33.36%0.05819%0.194CC..THydrogen-bonded Turntrans-60.9135.1170.500000110.1A8 V10 A348A8-A23 HydrophobicContact CB-CB 4.1Å; A8-A23 WeakPolarHBondContact O-CB 3.34Å; A8-A23 PolarHBondContact O-N 3.06Å; V10-A23 HydrophobicContact CG2-CB 4.23Å; A23-A348 HydrophobicContact CB-CB 3.6Å
24G93.4Very high96.7Very high49 Ų4932.8 Ų32.851%0.50519%0.191SC..THydrogen-bonded Turntrans95.2-14.7-17500000114.2F22 S345 S349F22-G24 PolarHBondContact O-N 2.87Å; G24-S345 PolarHBondContact N-OG 2.99Å; G24-S349 WeakPolarHBondContact CA-OG 3.42Å; G24-S349 PolarHBondContact N-OG 3.01Å
25D95.3Very high96.8Very high45 Ų4532.3 Ų32.324%0.24119%0.186CC..  trans-74.2147.2169.8-70.6-11.9000110.1F22 A27 R29 W341 S345F22-D25 WeakPolarHBondContact O-CB 3.38Å; F22-D25 PolarHBondContact O-N 3.3Å; D25-A27 VanDerWaalsContact C-N 3.3Å; D25-A27 PolarHBondContact O-N 3.03Å; D25-R29 IonicContact OD1-NH2 3.97Å; D25-R29 PolarHBondContact OD1-NH2 3.06Å; D25-R29 IonicContact OD2-CZ 3.94Å; D25-R29 VanDerWaalsContact OD2-CZ 3.31Å; D25-R29 IonicContact OD2-NE 3.24Å; D25-R29 PolarHBondContact OD2-NE 3.14Å; D25-R29 IonicContact OD2-NH2 2.99Å; D25-R29 PolarHBondContact OD2-NH2 3.34Å; D25-W341 HydrophobicContact CB-CH2 3.89Å; D25-W341 WeakPolarHBondContact O-CH2 3.43Å; D25-W341 WeakPolarHBondContact O-CZ3 3.01Å; D25-S345 PolarHBondContact O-OG 2.79Å; D25-S345 VanDerWaalsContact O-OG 3.05Å
26D92.8Very high97Very high155 Ų15531.9 Ų31.983%0.82918%0.183SC*.SBendtrans-75-17.2-179.1-67.1-40.9000113.7
27A95.5Very high97.1Very high51 Ų5131.3 Ų31.342%0.42118%0.177SC..SBendtrans-151.5154-177.600000111D25 R29 W341D25-A27 VanDerWaalsContact C-N 3.3Å; D25-A27 PolarHBondContact O-N 3.03Å; A27-R29 PolarHBondContact O-N 2.93Å; A27-W341 VanDerWaalsContact C-CH2 3.43Å; A27-W341 VanDerWaalsContact O-CH2 3.29Å; A27-W341 WeakPolarHBondContact O-CH2 3.46Å
28P97.8Very high97Very high19 Ų1931.6 Ų31.612%0.12317%0.174CC..  trans-60.9139.1175.825.7-34000110.7K19 A20 A30 V31 Y338 W341K19-P28 HydrophobicContact CB-CB 4.05Å; K19-P28 HydrophobicContact CB-CG 4.31Å; A20-P28 CarbonylContact O-C 3.51Å; P28-A30 VanDerWaalsContact C-N 3.32Å; P28-V31 HydrophobicContact CB-CG2 4.1Å; P28-V31 HydrophobicContact CG-CG2 3.64Å; P28-Y338 HydrophobicContact CG-CD1 4.28Å; P28-Y338 HydrophobicContact CG-CG 4.31Å; P28-W341 HydrophobicContact CB-CD2 3.76Å; P28-W341 HydrophobicContact CB-CE3 4.23Å; P28-W341 HydrophobicContact CB-CG 4Å; P28-W341 HydrophobicContact CB-CZ2 4.49Å; P28-W341 HydrophobicContact CG-CD2 4.32Å; P28-W341 HydrophobicContact CG-CE3 4.43Å
29R97.7Very high96.7Very high144 Ų14433.6 Ų33.654%0.54319%0.187SC..SBendtrans-72.5-28174.6-66.3-161.8-177174.76.8112.5A20 F22 D25 A27 L95A20-R29 PolarHBondContact O-N 3.49Å; F22-R29 HydrophobicContact CD2-CG 4.42Å; F22-R29 VanDerWaalsContact CD2-NE 3.29Å; F22-R29 VanDerWaalsContact CE2-CZ 3.45Å; D25-R29 IonicContact OD1-NH2 3.97Å; D25-R29 PolarHBondContact OD1-NH2 3.06Å; D25-R29 IonicContact OD2-CZ 3.94Å; D25-R29 VanDerWaalsContact OD2-CZ 3.31Å; D25-R29 IonicContact OD2-NE 3.24Å; D25-R29 PolarHBondContact OD2-NE 3.14Å; D25-R29 IonicContact OD2-NH2 2.99Å; D25-R29 PolarHBondContact OD2-NH2 3.34Å; A27-R29 PolarHBondContact O-N 2.93Å; R29-L95 HydrophobicContact CB-CD2 3.97Å
30A98.3Very high96.2Very high5 Ų538.4 Ų38.44%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-134.2138.1-179.200000111.1K19 A20 P28 F32 E94K19-A30 CarbonylContact C-O 3.55Å; K19-A30 VanDerWaalsContact CA-O 3.31Å; K19-A30 WeakPolarHBondContact CA-O 3.39Å; A20-A30 PolarHBondContact N-O 3.34Å; A20-A30 PolarHBondContact O-N 2.89Å; P28-A30 VanDerWaalsContact C-N 3.32Å; A30-F32 HydrophobicContact CB-CD1 4.43Å; A30-E94 HydrophobicContact CB-CB 3.67Å; A30-E94 HydrophobicContact CB-CG 4.24Å
31V98.1Very high95.4Very high50 Ų5044.6 Ų44.630%0.30323%0.233SC..EExtended strand (participates in β ladder)trans-141.1110.7173.7179.40000107.6M17 C18 K19 P28 Y338M17-V31 HydrophobicContact CE-CG1 3.75Å; C18-V31 WeakPolarHBondContact O-CA 3.38Å; K19-V31 HydrophobicContact CB-CG2 4.28Å; K19-V31 HydrophobicContact CG-CG1 4.2Å; K19-V31 HydrophobicContact CG-CG2 4.1Å; P28-V31 HydrophobicContact CB-CG2 4.1Å; P28-V31 HydrophobicContact CG-CG2 3.64Å; V31-Y338 HydrophobicContact CG2-CE1 4.18Å
32F98.1Very high94Very high0 Ų054.4 Ų54.40%028%0.279CS..EExtended strand (participates in β ladder)trans-142.7157.2-173.864.8-88.7000111.7M17 C18 A30 V55 I86 H89 T90 E94M17-F32 CarbonylContact C-O 3.55Å; M17-F32 WeakPolarHBondContact CA-O 3.49Å; M17-F32 VanDerWaalsContact CE-C 3.43Å; C18-F32 HydrophobicContact CB-CD1 4.36Å; C18-F32 HydrophobicContact CB-CD2 4.34Å; C18-F32 HydrophobicContact CB-CE1 3.81Å; C18-F32 HydrophobicContact CB-CE2 3.79Å; C18-F32 HydrophobicContact CB-CZ 3.5Å; C18-F32 VanDerWaalsContact CB-CZ 3.5Å; C18-F32 PolarHBondContact N-O 3.36Å; C18-F32 PolarHBondContact O-N 2.9Å; A30-F32 HydrophobicContact CB-CD1 4.43Å; F32-V55 HydrophobicContact CE2-CG1 4.34Å; F32-I86 HydrophobicContact CE2-CG2 4.12Å; F32-I86 HydrophobicContact CZ-CG2 4.19Å; F32-H89 AromaticContact CE2-CD2 3.75Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.41Å; F32-E94 HydrophobicContact CD1-CG 3.78Å; F32-E94 HydrophobicContact CE1-CG 3.81Å; F32-E94 HydrophobicContact CG-CG 4.5Å
33P97.5Very high92.6Very high16 Ų1655.7 Ų55.710%0.10430%0.297CS..EExtended strand (participates in β ladder)trans-61134.7-179.8-25.335.1000113.5G16 M17 I35 G56 D57G16-P33 WeakPolarHBondContact O-CA 3.21Å; M17-P33 HydrophobicContact CE-CG 4.3Å; M17-P33 HydrophobicContact SD-CB 4.24Å; M17-P33 HydrophobicContact SD-CG 4.07Å; P33-I35 HydrophobicContact CB-CD1 3.93Å; P33-I35 HydrophobicContact CB-CG1 3.95Å; P33-I35 HydrophobicContact CB-CG2 4.33Å; P33-I35 PolarHBondContact O-N 3.48Å; P33-G56 WeakPolarHBondContact O-CA 3.31Å; P33-D57 WeakPolarHBondContact CD-OD1 3.38Å
34S97.5Very high91Very high1 Ų158.7 Ų58.71%0.00731%0.314CS..  trans-78.362.2177.8-61.10000111.8G14 G16 C18 P71G14-S34 VanDerWaalsContact O-CB 3.28Å; G14-S34 WeakPolarHBondContact O-CB 3.2Å; G14-S34 PolarHBondContact O-OG 3Å; G16-S34 PolarHBondContact O-N 3.28Å; C18-S34 PolarHBondContact N-OG 3.23Å; S34-P71 WeakPolarHBondContact O-CD 3.33Å
35I97.1Very high89.5Confident2 Ų256.8 Ų56.81%0.0129%0.292CS..  trans-132.4148.7-173.567.5-177.6000112.4P33 V55 G56 A59 Q60 L68 K69 Y70P33-I35 HydrophobicContact CB-CD1 3.93Å; P33-I35 HydrophobicContact CB-CG1 3.95Å; P33-I35 HydrophobicContact CB-CG2 4.33Å; P33-I35 PolarHBondContact O-N 3.48Å; I35-V55 WeakPolarHBondContact O-CA 3.39Å; I35-G56 PolarHBondContact O-N 3.47Å; I35-G56 VanDerWaalsContact O-N 3.14Å; I35-A59 HydrophobicContact CD1-CB 4.07Å; I35-A59 HydrophobicContact CG1-CB 3.99Å; I35-Q60 HydrophobicContact CD1-CB 3.99Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.26Å; I35-L68 HydrophobicContact CD1-CD1 4.21Å; I35-K69 WeakPolarHBondContact CA-O 3.36Å; I35-Y70 HydrophobicContact CG2-CD1 3.5Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.5Å; I35-Y70 HydrophobicContact CG2-CE1 3.24Å; I35-Y70 HydrophobicContact CG2-CG 4.28Å
36V98Very high87.8Confident0 Ų060.3 Ų60.30%032%0.315CS..EExtended strand (participates in β ladder)trans-121.5126170.2-177.50000109.1Y54 V55 K69 D82 K85 I86V36-Y54 CarbonylContact C-O 3.56Å; V36-Y54 WeakPolarHBondContact CA-O 3.45Å; V36-V55 HydrophobicContact CG2-CG2 4.36Å; V36-K69 PolarHBondContact N-O 3.47Å; V36-K69 PolarHBondContact O-N 3.23Å; V36-D82 HydrophobicContact CB-CB 4.27Å; V36-D82 HydrophobicContact CG2-CB 3.81Å; V36-K85 HydrophobicContact CG1-CD 4.11Å; V36-K85 HydrophobicContact CG2-CB 4.42Å; V36-I86 HydrophobicContact CG2-CD1 4.43Å; V36-I86 HydrophobicContact CG2-CG1 4.03Å
37G96.4Very high86.5Confident0 Ų056.9 Ų56.90%032%0.316CS..EExtended strand (participates in β ladder)trans-108.5136.3178.100000112.3S53 Y54 T67G37-S53 CarbonylContact O-C 3.6Å; G37-S53 VanDerWaalsContact O-CA 3.31Å; G37-S53 WeakPolarHBondContact O-CA 3.37Å; G37-Y54 PolarHBondContact N-O 2.75Å; G37-Y54 PolarHBondContact O-N 2.78Å; G37-T67 WeakPolarHBondContact CA-O 3.36Å
38R94.8Very high85Confident80 Ų8060.4 Ų60.430%0.30233%0.325SS..EExtended strand (participates in β ladder)trans-122.3141174.1-67.8179.6175.382.2-9.6111.3R40 L66 T67 D82R38-R40 PolarHBondContact O-N 3.42Å; R38-L66 CarbonylContact O-C 3.53Å; R38-L66 WeakPolarHBondContact O-CA 3.5Å; R38-T67 PolarHBondContact N-O 3.06Å; R38-T67 PolarHBondContact O-N 2.81Å; R38-D82 IonicContact CZ-OD1 3.53Å; R38-D82 VanDerWaalsContact CZ-OD1 3.26Å; R38-D82 IonicContact CZ-OD2 3.23Å; R38-D82 IonicContact NH1-OD1 3.57Å; R38-D82 PolarHBondContact NH1-OD1 3.18Å; R38-D82 IonicContact NH1-OD2 3.87Å; R38-D82 PolarHBondContact NH1-OD2 3.08Å; R38-D82 IonicContact NH2-OD1 3.26Å; R38-D82 PolarHBondContact NH2-OD1 3.35Å; R38-D82 IonicContact NH2-OD2 2.76Å
39P92.1Very high83.4Confident42 Ų4261.7 Ų61.727%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-57.6132.9-179.3-24.434.8000112.2M45 Y54 L66P39-M45 HydrophobicContact CB-CE 4.36Å; P39-M45 HydrophobicContact CB-SD 4.18Å; P39-M45 HydrophobicContact CG-CE 3.9Å; P39-M45 HydrophobicContact CG-SD 3.53Å; P39-M45 VanDerWaalsContact CG-SD 3.53Å; P39-Y54 HydrophobicContact CG-CE2 4.25Å; P39-L66 HydrophobicContact CB-CD2 4.38Å; P39-L66 HydrophobicContact CG-CD2 4.14Å
40R88.2Confident82.1Confident126 Ų12662 Ų6248%0.47535%0.35SS..SBendtrans-68.6-35.7178.8-73.3179.5-171.8-174.58112.8R38 I65 L66 T67R38-R40 PolarHBondContact O-N 3.42Å; R40-I65 PolarHBondContact N-O 3.4Å; R40-I65 VanDerWaalsContact N-O 3.07Å; R40-L66 PolarHBondContact NE-O 3.19Å; R40-L66 PolarHBondContact NH2-O 2.89Å; R40-T67 WeakPolarHBondContact CG-OG1 3.34Å
41H81.6Confident81.5Confident130 Ų13066.6 Ų66.660%0.60237%0.369SS*.SBendtrans-135136.9-176.3-51.9-28.4000109.8G43 V44H41-G43 PolarHBondContact O-N 3.12Å; H41-V44 HydrophobicContact CB-CG2 3.76Å
42Q69.7Low81Confident206 Ų20671.1 Ų71.196%0.96339%0.392SS*.THydrogen-bonded Turntrans-64.1126.2172.1-70.5179.7-1300108.8
43G67.6Low80.8Confident42 Ų4272.7 Ų72.743%0.43340%0.403SS..THydrogen-bonded Turntrans104.3-13.417800000116.3H41 M45 V46H41-G43 PolarHBondContact O-N 3.12Å; G43-M45 PolarHBondContact O-N 2.76Å; G43-V46 VanDerWaalsContact O-CG2 3.29Å; G43-V46 WeakPolarHBondContact O-CG2 3.28Å; G43-V46 PolarHBondContact O-N 3.1Å
44V62.8Low80.7Confident70 Ų7072 Ų7242%0.42440%0.398SS..THydrogen-bonded Turntrans-65.1-12.7175.5-178.40000112.1H41 I65H41-V44 HydrophobicContact CB-CG2 3.76Å; V44-I65 HydrophobicContact CG1-CB 3.99Å; V44-I65 HydrophobicContact CG1-CD1 4.26Å; V44-I65 HydrophobicContact CG1-CG2 3.81Å
45M62.3Low80.7Confident9 Ų972.5 Ų72.54%0.04440%0.401CS..THydrogen-bonded Turntrans-108.316.4-177.1-60.1-165.7153.200114.4P39 G43 G47 M48 Q50 Y54 K62 I65 L66P39-M45 HydrophobicContact CB-CE 4.36Å; P39-M45 HydrophobicContact CB-SD 4.18Å; P39-M45 HydrophobicContact CG-CE 3.9Å; P39-M45 HydrophobicContact CG-SD 3.53Å; P39-M45 VanDerWaalsContact CG-SD 3.53Å; G43-M45 PolarHBondContact O-N 2.76Å; M45-G47 PolarHBondContact O-N 3.16Å; M45-M48 PolarHBondContact O-N 3.2Å; M45-Q50 HydrophobicContact CB-CG 4.49Å; M45-Y54 HydrophobicContact CE-CD2 4.15Å; M45-Y54 HydrophobicContact CE-CE2 3.34Å; M45-Y54 HydrophobicContact SD-CE2 3.51Å; M45-Y54 VanDerWaalsContact SD-CE2 3.51Å; M45-Y54 PolarHBondContact SD-OH 3.16Å; M45-K62 HydrophobicContact CE-CD 4.37Å; M45-I65 HydrophobicContact CE-CD1 3.91Å; M45-L66 HydrophobicContact CE-CD2 3.6Å
46V60.7Low80.8Confident118 Ų11872.4 Ų72.472%0.71540%0.4SS*.THydrogen-bonded Turntrans-56.2115.8173.71730000108.9G43G43-V46 VanDerWaalsContact O-CG2 3.29Å; G43-V46 WeakPolarHBondContact O-CG2 3.28Å; G43-V46 PolarHBondContact O-N 3.1Å
47G65.8Low80.7Confident83 Ų8376.6 Ų76.686%0.85642%0.423SS*.THydrogen-bonded Turntrans95-10.5-17900000116.5M45M45-G47 PolarHBondContact O-N 3.16Å
48M63.5Low80.6Confident125 Ų12579.4 Ų79.462%0.61644%0.436SS*.SBendtrans-100.97.1-175.8-61.5-169.799.800114.8M45M45-M48 PolarHBondContact O-N 3.2Å
49G64.8Low80.6Confident47 Ų4775.6 Ų75.649%0.48542%0.422SS..  trans75.2106.2-168.600000110K51 Y54G49-K51 PolarHBondContact O-N 3.16Å; G49-Y54 PolarHBondContact O-OH 2.93Å; G49-Y54 VanDerWaalsContact O-OH 3.09Å
50Q70.4Confident80.7Confident150 Ų15075.6 Ų75.670%0.70142%0.418SS*.  trans-72.192.9179.8-72-176.5-20.200109.6M45M45-Q50 HydrophobicContact CB-CG 4.49Å
51K84Confident80.9Confident101 Ų10174 Ų7444%0.43943%0.426SS..  trans-93.6142.2164-60.8-177.8-174.4172.50108.9G49 S53 Y54 E58G49-K51 PolarHBondContact O-N 3.16Å; K51-S53 PolarHBondContact O-N 3.21Å; K51-Y54 HydrophobicContact CB-CE1 4.21Å; K51-Y54 HydrophobicContact CB-CE2 4.09Å; K51-Y54 HydrophobicContact CD-CD1 4.42Å; K51-Y54 HydrophobicContact CD-CE1 4.03Å; K51-Y54 HydrophobicContact CG-CE1 4.42Å; K51-Y54 PolarHBondContact N-OH 3.26Å; K51-E58 IonicContact NZ-OE1 3.5Å; K51-E58 IonicContact NZ-OE2 2.73Å; K51-E58 PolarHBondContact NZ-OE2 3.44Å
52D88.4Confident81.4Confident146 Ų14669.8 Ų69.878%0.78141%0.406SS*.SBendtrans-71-23.3175.9-64.4-32.6000112.6
53S94.2Very high82.4Confident32 Ų3260.8 Ų60.822%0.22436%0.363CS..  trans-151.1154.9178.5610000112.4G37 K51 K85G37-S53 CarbonylContact O-C 3.6Å; G37-S53 VanDerWaalsContact O-CA 3.31Å; G37-S53 WeakPolarHBondContact O-CA 3.37Å; K51-S53 PolarHBondContact O-N 3.21Å; S53-K85 WeakPolarHBondContact OG-CD 3.3Å
54Y95.8Very high83.3Confident2 Ų261.9 Ų61.91%0.00838%0.375CS..EExtended strand (participates in β ladder)trans-125.8149.5178.5-62.9-91000108V36 G37 P39 M45 G49 K51 E58 K62 L66V36-Y54 CarbonylContact C-O 3.56Å; V36-Y54 WeakPolarHBondContact CA-O 3.45Å; G37-Y54 PolarHBondContact N-O 2.75Å; G37-Y54 PolarHBondContact O-N 2.78Å; P39-Y54 HydrophobicContact CG-CE2 4.25Å; M45-Y54 HydrophobicContact CE-CD2 4.15Å; M45-Y54 HydrophobicContact CE-CE2 3.34Å; M45-Y54 HydrophobicContact SD-CE2 3.51Å; M45-Y54 VanDerWaalsContact SD-CE2 3.51Å; M45-Y54 PolarHBondContact SD-OH 3.16Å; G49-Y54 PolarHBondContact O-OH 2.93Å; G49-Y54 VanDerWaalsContact O-OH 3.09Å; K51-Y54 HydrophobicContact CB-CE1 4.21Å; K51-Y54 HydrophobicContact CB-CE2 4.09Å; K51-Y54 HydrophobicContact CD-CD1 4.42Å; K51-Y54 HydrophobicContact CD-CE1 4.03Å; K51-Y54 HydrophobicContact CG-CE1 4.42Å; K51-Y54 PolarHBondContact N-OH 3.26Å; Y54-E58 HydrophobicContact CD1-CG 3.78Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.49Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.45Å; Y54-K62 HydrophobicContact CD1-CD 4.11Å; Y54-K62 HydrophobicContact CE1-CD 4.06Å; Y54-L66 HydrophobicContact CD2-CD1 3.87Å; Y54-L66 HydrophobicContact CD2-CD2 3.89Å; Y54-L66 HydrophobicContact CE2-CD2 4.28Å; Y54-L66 HydrophobicContact CG-CD1 3.96Å
55V97.8Very high84.6Confident11 Ų1161.2 Ų61.27%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-130.2151.4-177-176.30000109.7F32 I35 V36 E58 A59 K85 I86 H89F32-V55 HydrophobicContact CE2-CG1 4.34Å; I35-V55 WeakPolarHBondContact O-CA 3.39Å; V36-V55 HydrophobicContact CG2-CG2 4.36Å; V55-E58 WeakPolarHBondContact O-CB 3.48Å; V55-E58 PolarHBondContact O-N 2.88Å; V55-A59 PolarHBondContact O-N 2.91Å; V55-K85 HydrophobicContact CG2-CB 4.2Å; V55-I86 HydrophobicContact CG1-CG1 3.92Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.69Å; V55-H89 HydrophobicContact CG2-CB 4.27Å
56G97.4Very high86Confident0 Ų060.8 Ų60.80%037%0.366CS..Hα-helixtrans62.8-137.9169.200000114P33 I35 E58 A59 Q60P33-G56 WeakPolarHBondContact O-CA 3.31Å; I35-G56 PolarHBondContact O-N 3.47Å; I35-G56 VanDerWaalsContact O-N 3.14Å; G56-E58 PolarHBondContact O-N 3.46Å; G56-A59 WeakPolarHBondContact O-CB 3.39Å; G56-A59 PolarHBondContact O-N 2.98Å; G56-A59 VanDerWaalsContact O-N 3.07Å; G56-Q60 PolarHBondContact O-N 3.37Å
57D96.6Very high87.6Confident88 Ų8858.4 Ų58.447%0.47135%0.352SS..Hα-helixtrans-62.1-29.7-179.7-66.7-43.1000112.4P33 A59 Q60 S61P33-D57 WeakPolarHBondContact CD-OD1 3.38Å; D57-A59 VanDerWaalsContact C-N 3.35Å; D57-Q60 PolarHBondContact O-N 2.82Å; D57-S61 WeakPolarHBondContact O-CB 3.45Å; D57-S61 PolarHBondContact O-N 3.12Å; D57-S61 PolarHBondContact O-OG 3.41Å
58E94.8Very high89Confident60 Ų6056 Ų5628%0.2832%0.319SS..Hα-helixtrans-65.4-40175.2-162.4-175.1175.800111.3K51 Y54 V55 G56 S61 K62K51-E58 IonicContact NZ-OE1 3.5Å; K51-E58 IonicContact NZ-OE2 2.73Å; K51-E58 PolarHBondContact NZ-OE2 3.44Å; Y54-E58 HydrophobicContact CD1-CG 3.78Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.49Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.45Å; V55-E58 WeakPolarHBondContact O-CB 3.48Å; V55-E58 PolarHBondContact O-N 2.88Å; G56-E58 PolarHBondContact O-N 3.46Å; E58-S61 PolarHBondContact O-OG 3.48Å; E58-S61 VanDerWaalsContact O-OG 3.05Å; E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 IonicContact OE1-NZ 3.28Å; E58-K62 PolarHBondContact OE1-NZ 3.38Å
59A95.4Very high90.5Very high0 Ų055 Ų550%031%0.312CS..Hα-helixtrans-70.6-40.6173.400000111.5I35 V55 G56 D57 K62 R63 L66 L68I35-A59 HydrophobicContact CD1-CB 4.07Å; I35-A59 HydrophobicContact CG1-CB 3.99Å; V55-A59 PolarHBondContact O-N 2.91Å; G56-A59 WeakPolarHBondContact O-CB 3.39Å; G56-A59 PolarHBondContact O-N 2.98Å; G56-A59 VanDerWaalsContact O-N 3.07Å; D57-A59 VanDerWaalsContact C-N 3.35Å; A59-K62 CarbonylContact O-C 3.55Å; A59-K62 PolarHBondContact O-N 2.91Å; A59-R63 PolarHBondContact O-N 3.1Å; A59-L66 HydrophobicContact CB-CD1 4.35Å; A59-L68 HydrophobicContact CB-CD2 4.02Å
60Q93.9Very high92Very high42 Ų4255.8 Ų55.820%0.19630%0.3CS..Hα-helixtrans-61.6-48.4-178.4-173.162.69.300112I35 G56 D57 K62 R63 E208I35-Q60 HydrophobicContact CD1-CB 3.99Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.26Å; G56-Q60 PolarHBondContact O-N 3.37Å; D57-Q60 PolarHBondContact O-N 2.82Å; Q60-K62 PolarHBondContact O-N 3.18Å; Q60-R63 VanDerWaalsContact O-CB 3.29Å; Q60-R63 WeakPolarHBondContact O-CB 3.29Å; Q60-R63 PolarHBondContact O-N 3.09Å; Q60-E208 VanDerWaalsContact NE2-CG 3.3Å
61S92.4Very high93.3Very high93 Ų9348.7 Ų48.765%0.6527%0.267SS*.Hα-helixtrans-62.1-23.8178.256.30000113.5D57 E58D57-S61 WeakPolarHBondContact O-CB 3.45Å; D57-S61 PolarHBondContact O-N 3.12Å; D57-S61 PolarHBondContact O-OG 3.41Å; E58-S61 PolarHBondContact O-OG 3.48Å; E58-S61 VanDerWaalsContact O-OG 3.05Å
62K91.4Very high93.9Very high41 Ų4144 Ų4418%0.17825%0.247CC..THydrogen-bonded Turntrans-103.414.7179.8-62.4-176.6-178.486.30113.4M45 Y54 E58 A59 Q60 G64 I65 L66M45-K62 HydrophobicContact CE-CD 4.37Å; Y54-K62 HydrophobicContact CD1-CD 4.11Å; Y54-K62 HydrophobicContact CE1-CD 4.06Å; E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 IonicContact OE1-NZ 3.28Å; E58-K62 PolarHBondContact OE1-NZ 3.38Å; A59-K62 CarbonylContact O-C 3.55Å; A59-K62 PolarHBondContact O-N 2.91Å; Q60-K62 PolarHBondContact O-N 3.18Å; K62-G64 PolarHBondContact O-N 3.17Å; K62-I65 HydrophobicContact CB-CD1 4.43Å; K62-I65 HydrophobicContact CB-CG1 4.15Å; K62-I65 VanDerWaalsContact O-CG1 3.26Å; K62-I65 WeakPolarHBondContact O-CG1 3.29Å; K62-I65 PolarHBondContact O-N 3.01Å; K62-L66 HydrophobicContact CB-CD1 3.55Å; K62-L66 HydrophobicContact CB-CG 3.81Å; K62-L66 WeakPolarHBondContact O-CG 3.3Å; K62-L66 PolarHBondContact O-N 3.01Å; K62-L66 VanDerWaalsContact O-N 3.11Å
63R90.6Very high94.1Very high16 Ų1641.6 Ų41.66%0.0623%0.231CC..THydrogen-bonded Turntrans-50.1-34.4-176.6178.5176-68.3-123.6-1.8114.9A59 Q60 I65 L66 L68 Y70 T204 E208A59-R63 PolarHBondContact O-N 3.1Å; Q60-R63 VanDerWaalsContact O-CB 3.29Å; Q60-R63 WeakPolarHBondContact O-CB 3.29Å; Q60-R63 PolarHBondContact O-N 3.09Å; R63-I65 VanDerWaalsContact C-N 3.25Å; R63-I65 PolarHBondContact O-N 3.37Å; R63-L66 VanDerWaalsContact O-O 3.09Å; R63-L68 HydrophobicContact CB-CD1 3.88Å; R63-L68 HydrophobicContact CG-CD1 3.61Å; R63-L68 HydrophobicContact CG-CG 4.36Å; R63-Y70 PolarHBondContact NH2-OH 3.44Å; R63-T204 WeakPolarHBondContact CD-O 3.4Å; R63-T204 PolarHBondContact NH1-O 3.41Å; R63-E208 IonicContact CZ-OE1 3.22Å; R63-E208 VanDerWaalsContact CZ-OE1 3.28Å; R63-E208 IonicContact NH1-OE1 3.66Å; R63-E208 PolarHBondContact NH1-OE1 3.23Å; R63-E208 IonicContact NH2-OE1 2.93Å; R63-E208 PolarHBondContact NH2-OE1 3.17Å
64G87.3Confident94.1Very high66 Ų6643.3 Ų43.368%0.6824%0.236SC*.THydrogen-bonded Turntrans-63.1-28.2179.800000114.3K62K62-G64 PolarHBondContact O-N 3.17Å
65I89.6Confident93.9Very high56 Ų5643.9 Ų43.929%0.28724%0.242SC..THydrogen-bonded Turntrans-113.4-6.4-177.660.7170.6000113.3R40 V44 M45 K62 R63R40-I65 PolarHBondContact N-O 3.4Å; R40-I65 VanDerWaalsContact N-O 3.07Å; V44-I65 HydrophobicContact CG1-CB 3.99Å; V44-I65 HydrophobicContact CG1-CD1 4.26Å; V44-I65 HydrophobicContact CG1-CG2 3.81Å; M45-I65 HydrophobicContact CE-CD1 3.91Å; K62-I65 HydrophobicContact CB-CD1 4.43Å; K62-I65 HydrophobicContact CB-CG1 4.15Å; K62-I65 VanDerWaalsContact O-CG1 3.26Å; K62-I65 WeakPolarHBondContact O-CG1 3.29Å; K62-I65 PolarHBondContact O-N 3.01Å; R63-I65 VanDerWaalsContact C-N 3.25Å; R63-I65 PolarHBondContact O-N 3.37Å
66L92.1Very high93.8Very high0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-106.1148.4179.7-60.5-174.9000111.9R38 P39 R40 M45 Y54 A59 K62 R63 L68R38-L66 CarbonylContact O-C 3.53Å; R38-L66 WeakPolarHBondContact O-CA 3.5Å; P39-L66 HydrophobicContact CB-CD2 4.38Å; P39-L66 HydrophobicContact CG-CD2 4.14Å; R40-L66 PolarHBondContact NE-O 3.19Å; R40-L66 PolarHBondContact NH2-O 2.89Å; M45-L66 HydrophobicContact CE-CD2 3.6Å; Y54-L66 HydrophobicContact CD2-CD1 3.87Å; Y54-L66 HydrophobicContact CD2-CD2 3.89Å; Y54-L66 HydrophobicContact CE2-CD2 4.28Å; Y54-L66 HydrophobicContact CG-CD1 3.96Å; A59-L66 HydrophobicContact CB-CD1 4.35Å; K62-L66 HydrophobicContact CB-CD1 3.55Å; K62-L66 HydrophobicContact CB-CG 3.81Å; K62-L66 WeakPolarHBondContact O-CG 3.3Å; K62-L66 PolarHBondContact O-N 3.01Å; K62-L66 VanDerWaalsContact O-N 3.11Å; R63-L66 VanDerWaalsContact O-O 3.09Å; L66-L68 HydrophobicContact CB-CD2 3.93Å; L66-L68 HydrophobicContact CD1-CD2 4.41Å
67T93.3Very high93.8Very high68 Ų6845.4 Ų45.442%0.41725%0.25SC..EExtended strand (participates in β ladder)trans-88.7114.1158.4-61.80000107.3G37 R38 R40G37-T67 WeakPolarHBondContact CA-O 3.36Å; R38-T67 PolarHBondContact N-O 3.06Å; R38-T67 PolarHBondContact O-N 2.81Å; R40-T67 WeakPolarHBondContact CG-OG1 3.34Å
68L94.8Very high93.8Very high31 Ų3144.8 Ų44.816%0.16225%0.249CC..EExtended strand (participates in β ladder)trans-90.1138.1179.6-57-176.8000110.5I35 A59 R63 L66I35-L68 HydrophobicContact CD1-CD1 4.21Å; A59-L68 HydrophobicContact CB-CD2 4.02Å; R63-L68 HydrophobicContact CB-CD1 3.88Å; R63-L68 HydrophobicContact CG-CD1 3.61Å; R63-L68 HydrophobicContact CG-CG 4.36Å; L66-L68 HydrophobicContact CB-CD2 3.93Å; L66-L68 HydrophobicContact CD1-CD2 4.41Å
69K96.3Very high94Very high106 Ų10644.3 Ų44.346%0.46125%0.249SC..EExtended strand (participates in β ladder)trans-126.1151.4173.4-69.2-167.9175.1-172.40110.3I35 V36I35-K69 WeakPolarHBondContact CA-O 3.36Å; V36-K69 PolarHBondContact N-O 3.47Å; V36-K69 PolarHBondContact O-N 3.23Å
70Y95.8Very high94.1Very high62 Ų6246.4 Ų46.424%0.24326%0.257CS..  trans-116.6106.2-179.8-61.4-98.7000107.3I35 R63 I72I35-Y70 HydrophobicContact CG2-CD1 3.5Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.5Å; I35-Y70 HydrophobicContact CG2-CE1 3.24Å; I35-Y70 HydrophobicContact CG2-CG 4.28Å; R63-Y70 PolarHBondContact NH2-OH 3.44Å; Y70-I72 PolarHBondContact O-N 3.37Å
71P97.5Very high94.3Very high1 Ų149.6 Ų49.61%0.00628%0.275CS..SBendtrans-74.1-9.2-177.127-31.9000113.9S34 V77 T78 N79 D82 M83 I86S34-P71 WeakPolarHBondContact O-CD 3.33Å; P71-V77 CarbonylContact O-C 3.58Å; P71-V77 WeakPolarHBondContact O-CA 3.39Å; P71-T78 PolarHBondContact O-N 2.91Å; P71-T78 PolarHBondContact O-OG1 2.8Å; P71-N79 HydrophobicContact CB-CB 4.15Å; P71-N79 WeakPolarHBondContact CB-O 3.43Å; P71-N79 PolarHBondContact O-N 3.1Å; P71-D82 HydrophobicContact CB-CB 3.8Å; P71-D82 HydrophobicContact CG-CB 4.2Å; P71-M83 HydrophobicContact CB-CB 4.45Å; P71-M83 HydrophobicContact CG-SD 4.37Å; P71-I86 HydrophobicContact CG-CD1 3.32Å; P71-I86 HydrophobicContact CG-CG1 4.39Å
72I96.9Very high94.6Very high2 Ų245.2 Ų45.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-118.7119.9177.4-51174.7000108.7N13 S15 Y70 I76 V77 M83N13-I72 HydrophobicContact CB-CD1 4.18Å; S15-I72 WeakPolarHBondContact OG-CG2 3.47Å; Y70-I72 PolarHBondContact O-N 3.37Å; I72-I76 CarbonylContact C-O 3.56Å; I72-I76 WeakPolarHBondContact CA-O 3.3Å; I72-V77 HydrophobicContact CG1-CG2 4.17Å; I72-M83 HydrophobicContact CD1-CE 4.09Å; I72-M83 HydrophobicContact CD1-SD 3.79Å; I72-M83 HydrophobicContact CG1-SD 3.83Å
73E93.5Very high94.9Very high96 Ų9643.3 Ų43.345%0.44924%0.236SC..EExtended strand (participates in β ladder)trans-120.2126.7177.4-66.3176.2-150.300109G75 I76 T78E73-G75 PolarHBondContact O-N 2.94Å; E73-G75 VanDerWaalsContact O-N 3.16Å; E73-I76 PolarHBondContact N-O 3.41Å; E73-I76 PolarHBondContact O-N 2.87Å; E73-T78 HydrophobicContact CB-CG2 4Å; E73-T78 HydrophobicContact CG-CG2 4.28Å; E73-T78 PolarHBondContact OE1-OG1 2.88Å
74H92.4Very high95.3Very high69 Ų6944.8 Ų44.832%0.31924%0.244SC..THydrogen-bonded Turntrans47.543.5-177.8-49102000113.9I76 G159 V160H74-I76 VanDerWaalsContact C-N 3.29Å; H74-I76 PolarHBondContact O-N 3.19Å; H74-G159 WeakPolarHBondContact CA-O 3.26Å; H74-G159 PolarHBondContact CD2-O 2.77Å; H74-V160 HydrophobicContact CB-CB 4.28Å
75G92.2Very high95.8Very high13 Ų1344.5 Ų44.513%0.13422%0.224CC..THydrogen-bonded Turntrans79.1-2.2-179.100000115.9S15 E73S15-G75 WeakPolarHBondContact OG-CA 3.21Å; S15-G75 PolarHBondContact OG-N 3.34Å; E73-G75 PolarHBondContact O-N 2.94Å; E73-G75 VanDerWaalsContact O-N 3.16Å
76I95.8Very high96.2Very high27 Ų2741.9 Ų41.914%0.13821%0.21CC..EExtended strand (participates in β ladder)trans-111.1131.6-176.4-55.7-56000110.3I72 E73 H74 T78 N116I72-I76 CarbonylContact C-O 3.56Å; I72-I76 WeakPolarHBondContact CA-O 3.3Å; E73-I76 PolarHBondContact N-O 3.41Å; E73-I76 PolarHBondContact O-N 2.87Å; H74-I76 VanDerWaalsContact C-N 3.29Å; H74-I76 PolarHBondContact O-N 3.19Å; I76-T78 PolarHBondContact O-N 2.72Å; I76-N116 WeakPolarHBondContact CG2-ND2 3.44Å
77V97.6Very high96.5Very high16 Ų1641.9 Ų41.910%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-67.8119.8171.4-177.90000109.3P71 I72 W80 M83 N116P71-V77 CarbonylContact O-C 3.58Å; P71-V77 WeakPolarHBondContact O-CA 3.39Å; I72-V77 HydrophobicContact CG1-CG2 4.17Å; V77-W80 HydrophobicContact CB-CH2 3.85Å; V77-W80 HydrophobicContact CB-CZ2 3.84Å; V77-W80 HydrophobicContact CB-CZ3 4.2Å; V77-W80 HydrophobicContact CG1-CD2 3.72Å; V77-W80 HydrophobicContact CG1-CE3 3.77Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 4.01Å; V77-W80 HydrophobicContact CG1-CZ2 3.95Å; V77-W80 HydrophobicContact CG1-CZ3 3.92Å; V77-W80 HydrophobicContact CG2-CH2 4.02Å; V77-W80 HydrophobicContact CG2-CZ2 4.5Å; V77-W80 HydrophobicContact CG2-CZ3 4.2Å; V77-M83 HydrophobicContact CG1-CB 3.88Å; V77-M83 HydrophobicContact CG1-CG 4.1Å; V77-M83 HydrophobicContact CG2-CG 4.15Å; V77-M83 HydrophobicContact CG2-SD 4.2Å; V77-N116 PolarHBondContact O-ND2 3.4Å; V77-N116 VanDerWaalsContact O-ND2 3.16Å
78T96.9Very high96.7Very high76 Ų7643.2 Ų43.247%0.46621%0.212SC..  trans-107.1-17.2177.158.70000112.5P71 E73 I76P71-T78 PolarHBondContact O-N 2.91Å; P71-T78 PolarHBondContact O-OG1 2.8Å; E73-T78 HydrophobicContact CB-CG2 4Å; E73-T78 HydrophobicContact CG-CG2 4.28Å; E73-T78 PolarHBondContact OE1-OG1 2.88Å; I76-T78 PolarHBondContact O-N 2.72Å
79N98Very high96.9Very high49 Ų4942.5 Ų42.526%0.26221%0.207SC..  trans-135.8103.5177.7-170.6-48.1000111.7P71 D81 D82 M83P71-N79 HydrophobicContact CB-CB 4.15Å; P71-N79 WeakPolarHBondContact CB-O 3.43Å; P71-N79 PolarHBondContact O-N 3.1Å; N79-D81 PolarHBondContact OD1-N 2.86Å; N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 WeakPolarHBondContact OD1-CB 3.38Å; N79-D82 PolarHBondContact OD1-N 3.12Å; N79-M83 WeakPolarHBondContact O-CB 3.31Å; N79-M83 PolarHBondContact O-N 2.81Å
80W98.1Very high97Very high45 Ų4537.4 Ų37.417%0.1719%0.185CC..Hα-helixtrans-71.2-37.2-177.6-68.9103.9000113.4V77 D82 M83 E84 W87 N116 K119 M120 I123V77-W80 HydrophobicContact CB-CH2 3.85Å; V77-W80 HydrophobicContact CB-CZ2 3.84Å; V77-W80 HydrophobicContact CB-CZ3 4.2Å; V77-W80 HydrophobicContact CG1-CD2 3.72Å; V77-W80 HydrophobicContact CG1-CE3 3.77Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 4.01Å; V77-W80 HydrophobicContact CG1-CZ2 3.95Å; V77-W80 HydrophobicContact CG1-CZ3 3.92Å; V77-W80 HydrophobicContact CG2-CH2 4.02Å; V77-W80 HydrophobicContact CG2-CZ2 4.5Å; V77-W80 HydrophobicContact CG2-CZ3 4.2Å; W80-D82 PolarHBondContact O-N 3.28Å; W80-M83 HydrophobicContact CE3-CB 4.41Å; W80-M83 PolarHBondContact O-N 2.85Å; W80-M83 VanDerWaalsContact O-N 3.13Å; W80-E84 WeakPolarHBondContact O-CG 3.45Å; W80-E84 PolarHBondContact O-N 3.26Å; W80-W87 AromaticContact CZ3-CH2 3.87Å; W80-W87 HydrophobicContact CZ3-CH2 3.87Å; W80-W87 HydrophobicContact CZ3-CZ3 4.3Å; W80-N116 HydrophobicContact CH2-CB 4.24Å; W80-N116 WeakPolarHBondContact CH2-O 3.33Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; W80-K119 HydrophobicContact CD2-CB 4.16Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.48Å; W80-K119 HydrophobicContact CE3-CB 4.41Å; W80-K119 HydrophobicContact CE3-CG 3.73Å; W80-K119 HydrophobicContact CG-CG 3.77Å; W80-K119 HydrophobicContact CH2-CB 4.04Å; W80-K119 HydrophobicContact CH2-CG 4.25Å; W80-K119 HydrophobicContact CZ2-CB 3.75Å; W80-K119 HydrophobicContact CZ2-CG 3.94Å; W80-K119 HydrophobicContact CZ3-CB 4.35Å; W80-K119 HydrophobicContact CZ3-CG 4.15Å; W80-M120 HydrophobicContact CH2-CG 3.56Å; W80-M120 HydrophobicContact CZ3-CG 3.78Å; W80-I123 HydrophobicContact CD2-CD1 4.29Å; W80-I123 HydrophobicContact CE3-CD1 3.51Å; W80-I123 HydrophobicContact CZ3-CD1 4.13Å
81D97.8Very high97.2Very high109 Ų10934.5 Ų34.558%0.58317%0.174SC*.Hα-helixtrans-61.5-35.5177.9-61.9-12.1000112.1N79 K85N79-D81 PolarHBondContact OD1-N 2.86Å; D81-K85 WeakPolarHBondContact O-CG 3.38Å; D81-K85 PolarHBondContact O-NZ 3.28Å
82D98.2Very high97.2Very high1 Ų138.5 Ų38.51%0.00519%0.189CC..Hα-helixtrans-81.7-31.7176.8-76.9-4.8000111.5V36 R38 P71 N79 W80 K85 I86V36-D82 HydrophobicContact CB-CB 4.27Å; V36-D82 HydrophobicContact CG2-CB 3.81Å; R38-D82 IonicContact CZ-OD1 3.53Å; R38-D82 VanDerWaalsContact CZ-OD1 3.26Å; R38-D82 IonicContact CZ-OD2 3.23Å; R38-D82 IonicContact NH1-OD1 3.57Å; R38-D82 PolarHBondContact NH1-OD1 3.18Å; R38-D82 IonicContact NH1-OD2 3.87Å; R38-D82 PolarHBondContact NH1-OD2 3.08Å; R38-D82 IonicContact NH2-OD1 3.26Å; R38-D82 PolarHBondContact NH2-OD1 3.35Å; R38-D82 IonicContact NH2-OD2 2.76Å; P71-D82 HydrophobicContact CB-CB 3.8Å; P71-D82 HydrophobicContact CG-CB 4.2Å; N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 WeakPolarHBondContact OD1-CB 3.38Å; N79-D82 PolarHBondContact OD1-N 3.12Å; W80-D82 PolarHBondContact O-N 3.28Å; D82-K85 PolarHBondContact O-N 2.72Å; D82-K85 IonicContact OD1-NZ 2.91Å; D82-K85 PolarHBondContact OD1-NZ 2.96Å; D82-I86 PolarHBondContact O-N 2.73Å; D82-I86 VanDerWaalsContact O-N 3.1Å
83M98.2Very high97.2Very high1 Ų142.1 Ų42.11%0.00521%0.208CC..Hα-helixtrans-65.3-41.3172-163.665.4-149.900112.3N13 P71 I72 V77 N79 W80 K85 I86 W87N13-M83 HydrophobicContact CB-CE 4.27Å; N13-M83 VanDerWaalsContact OD1-CE 3.26Å; N13-M83 WeakPolarHBondContact OD1-CE 3.46Å; P71-M83 HydrophobicContact CB-CB 4.45Å; P71-M83 HydrophobicContact CG-SD 4.37Å; I72-M83 HydrophobicContact CD1-CE 4.09Å; I72-M83 HydrophobicContact CD1-SD 3.79Å; I72-M83 HydrophobicContact CG1-SD 3.83Å; V77-M83 HydrophobicContact CG1-CB 3.88Å; V77-M83 HydrophobicContact CG1-CG 4.1Å; V77-M83 HydrophobicContact CG2-CG 4.15Å; V77-M83 HydrophobicContact CG2-SD 4.2Å; N79-M83 WeakPolarHBondContact O-CB 3.31Å; N79-M83 PolarHBondContact O-N 2.81Å; W80-M83 HydrophobicContact CE3-CB 4.41Å; W80-M83 PolarHBondContact O-N 2.85Å; W80-M83 VanDerWaalsContact O-N 3.13Å; M83-K85 VanDerWaalsContact C-N 3.27Å; M83-K85 PolarHBondContact O-N 2.87Å; M83-I86 HydrophobicContact CE-CB 4.44Å; M83-I86 HydrophobicContact CE-CG2 4.05Å; M83-I86 WeakPolarHBondContact O-CA 3.26Å; M83-I86 WeakPolarHBondContact O-CB 3.28Å; M83-I86 PolarHBondContact O-N 3.42Å; M83-I86 HydrophobicContact SD-CD1 4.48Å; M83-W87 HydrophobicContact CE-CD2 4.18Å; M83-W87 VanDerWaalsContact CE-CE2 3.46Å; M83-W87 HydrophobicContact CE-CG 4.37Å; M83-W87 HydrophobicContact CE-CZ2 3.89Å; M83-W87 HydrophobicContact CG-CD2 4.17Å; M83-W87 HydrophobicContact CG-CE3 4.27Å; M83-W87 HydrophobicContact CG-CH2 4.09Å; M83-W87 HydrophobicContact CG-CZ2 3.92Å; M83-W87 HydrophobicContact CG-CZ3 4.24Å; M83-W87 PolarHBondContact O-N 2.81Å
84E98.2Very high97.4Very high47 Ų4740.9 Ų40.922%0.2220%0.203CC..Hα-helixtrans-59-38.8174.2-76.5-174.7-13800111.8W80 W87 H88 I123W80-E84 WeakPolarHBondContact O-CG 3.45Å; W80-E84 PolarHBondContact O-N 3.26Å; E84-W87 PolarHBondContact O-N 2.77Å; E84-H88 WeakPolarHBondContact O-CB 3.44Å; E84-H88 PolarHBondContact O-N 3.33Å; E84-I123 HydrophobicContact CG-CD1 3.76Å; E84-I123 HydrophobicContact CG-CG1 4.16Å; E84-I123 HydrophobicContact CG-CG2 3.74Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.35Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.39Å
85K98.2Very high97.7Very high60 Ų6038.4 Ų38.426%0.26119%0.192SC..Hα-helixtrans-65.6-38.1173.7-68.8177.2-167.175.50112.3V36 S53 V55 D81 D82 M83 H89V36-K85 HydrophobicContact CG1-CD 4.11Å; V36-K85 HydrophobicContact CG2-CB 4.42Å; S53-K85 WeakPolarHBondContact OG-CD 3.3Å; V55-K85 HydrophobicContact CG2-CB 4.2Å; D81-K85 WeakPolarHBondContact O-CG 3.38Å; D81-K85 PolarHBondContact O-NZ 3.28Å; D82-K85 PolarHBondContact O-N 2.72Å; D82-K85 IonicContact OD1-NZ 2.91Å; D82-K85 PolarHBondContact OD1-NZ 2.96Å; M83-K85 VanDerWaalsContact C-N 3.27Å; M83-K85 PolarHBondContact O-N 2.87Å; K85-H89 VanDerWaalsContact O-CB 3.29Å; K85-H89 WeakPolarHBondContact O-CB 3.44Å; K85-H89 PolarHBondContact O-N 3.32Å
86I98.5Very high98Very high0 Ų047.7 Ų47.70%022%0.223CC..Hα-helixtrans-63.1-45.8174.7-72.5179.9000110.6F32 V36 V55 P71 D82 M83 H89 T90F32-I86 HydrophobicContact CE2-CG2 4.12Å; F32-I86 HydrophobicContact CZ-CG2 4.19Å; V36-I86 HydrophobicContact CG2-CD1 4.43Å; V36-I86 HydrophobicContact CG2-CG1 4.03Å; V55-I86 HydrophobicContact CG1-CG1 3.92Å; P71-I86 HydrophobicContact CG-CD1 3.32Å; P71-I86 HydrophobicContact CG-CG1 4.39Å; D82-I86 PolarHBondContact O-N 2.73Å; D82-I86 VanDerWaalsContact O-N 3.1Å; M83-I86 HydrophobicContact CE-CB 4.44Å; M83-I86 HydrophobicContact CE-CG2 4.05Å; M83-I86 WeakPolarHBondContact O-CA 3.26Å; M83-I86 WeakPolarHBondContact O-CB 3.28Å; M83-I86 PolarHBondContact O-N 3.42Å; M83-I86 HydrophobicContact SD-CD1 4.48Å; I86-H89 WeakPolarHBondContact O-CB 3.05Å; I86-H89 PolarHBondContact O-N 3.45Å; I86-T90 WeakPolarHBondContact O-CB 3.4Å; I86-T90 PolarHBondContact O-N 3.04Å; I86-T90 PolarHBondContact O-OG1 3.26Å
87W98.6Very high98.1Very high0 Ų047.6 Ų47.60%022%0.224CC..Hα-helixtrans-67.1-42.1177.9-69.6-33.2000112.7N13 W80 M83 E84 H89 T90 F91 L106 M120 I123 M124 F128N13-W87 PolarHBondContact OD1-NE1 3.09Å; W80-W87 AromaticContact CZ3-CH2 3.87Å; W80-W87 HydrophobicContact CZ3-CH2 3.87Å; W80-W87 HydrophobicContact CZ3-CZ3 4.3Å; M83-W87 HydrophobicContact CE-CD2 4.18Å; M83-W87 VanDerWaalsContact CE-CE2 3.46Å; M83-W87 HydrophobicContact CE-CG 4.37Å; M83-W87 HydrophobicContact CE-CZ2 3.89Å; M83-W87 HydrophobicContact CG-CD2 4.17Å; M83-W87 HydrophobicContact CG-CE3 4.27Å; M83-W87 HydrophobicContact CG-CH2 4.09Å; M83-W87 HydrophobicContact CG-CZ2 3.92Å; M83-W87 HydrophobicContact CG-CZ3 4.24Å; M83-W87 PolarHBondContact O-N 2.81Å; E84-W87 PolarHBondContact O-N 2.77Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 3.16Å; W87-T90 WeakPolarHBondContact O-CA 3.05Å; W87-T90 VanDerWaalsContact O-CB 3.29Å; W87-T90 WeakPolarHBondContact O-CB 3.23Å; W87-T90 PolarHBondContact O-N 3.19Å; W87-T90 VanDerWaalsContact O-N 3.09Å; W87-F91 HydrophobicContact CB-CD2 4.47Å; W87-F91 HydrophobicContact CB-CE2 4.02Å; W87-F91 WeakPolarHBondContact O-CD2 3.45Å; W87-F91 WeakPolarHBondContact O-CG 3.44Å; W87-F91 PolarHBondContact O-N 3.27Å; W87-L106 HydrophobicContact CH2-CD1 4.33Å; W87-L106 HydrophobicContact CZ2-CD1 4.04Å; W87-L106 HydrophobicContact CZ2-CD2 4.38Å; W87-M120 HydrophobicContact CH2-CB 4.22Å; W87-M120 HydrophobicContact CH2-CG 3.94Å; W87-M120 HydrophobicContact CZ2-CG 4.44Å; W87-I123 HydrophobicContact CE3-CG2 3.75Å; W87-I123 HydrophobicContact CZ3-CB 3.99Å; W87-I123 HydrophobicContact CZ3-CD1 3.85Å; W87-I123 HydrophobicContact CZ3-CG2 3.62Å; W87-M124 HydrophobicContact CB-CE 4.29Å; W87-M124 HydrophobicContact CD2-CE 3.35Å; W87-M124 HydrophobicContact CE3-CE 3.39Å; W87-M124 HydrophobicContact CG-CE 3.81Å; W87-M124 HydrophobicContact CH2-CE 4.02Å; W87-M124 HydrophobicContact CZ2-CE 4.05Å; W87-M124 HydrophobicContact CZ3-CE 3.72Å; W87-F128 HydrophobicContact CB-CE2 3.71Å; W87-F128 HydrophobicContact CB-CZ 3.71Å; W87-F128 HydrophobicContact CE3-CE2 4.07Å
88H98.3Very high98.1Very high97 Ų9747.9 Ų47.945%0.44923%0.228SC..Hα-helixtrans-56.6-46.2172.3-176.6-65.6000111.1E84 T90 F91 Y92 F128E84-H88 WeakPolarHBondContact O-CB 3.44Å; E84-H88 PolarHBondContact O-N 3.33Å; H88-T90 VanDerWaalsContact C-N 3.33Å; H88-T90 PolarHBondContact O-N 3.19Å; H88-F91 PolarHBondContact O-N 2.8Å; H88-Y92 HydrophobicContact CB-CD2 4.43Å; H88-Y92 AromaticContact CD2-CD2 3.61Å; H88-Y92 AromaticContact CD2-CE2 3.67Å; H88-Y92 AromaticContact CE1-CD2 3.47Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.47Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.27Å; H88-Y92 AromaticContact CG-CD2 3.66Å; H88-Y92 AromaticContact ND1-CD2 3.58Å; H88-Y92 AromaticContact NE2-CD2 3.52Å; H88-Y92 AromaticContact NE2-CE2 3.78Å; H88-Y92 WeakPolarHBondContact O-CB 3.25Å; H88-Y92 VanDerWaalsContact O-CD2 3.27Å; H88-Y92 WeakPolarHBondContact O-CD2 3.5Å; H88-Y92 PolarHBondContact O-N 2.8Å; H88-F128 HydrophobicContact CB-CE1 4.1Å; H88-F128 HydrophobicContact CB-CZ 4.2Å
89H98.3Very high98.1Very high15 Ų1544.3 Ų44.37%0.06921%0.205CC..Iπ-helixtrans-61.6-42.3175.3-177.168.7000112.1F32 V55 K85 I86 W87 F91 N93 E94F32-H89 AromaticContact CE2-CD2 3.75Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.69Å; V55-H89 HydrophobicContact CG2-CB 4.27Å; K85-H89 VanDerWaalsContact O-CB 3.29Å; K85-H89 WeakPolarHBondContact O-CB 3.44Å; K85-H89 PolarHBondContact O-N 3.32Å; I86-H89 WeakPolarHBondContact O-CB 3.05Å; I86-H89 PolarHBondContact O-N 3.45Å; W87-H89 VanDerWaalsContact C-N 3.29Å; W87-H89 PolarHBondContact O-N 3.16Å; H89-F91 PolarHBondContact O-N 2.81Å; H89-N93 WeakPolarHBondContact ND1-CB 3.1Å; H89-N93 PolarHBondContact ND1-OD1 3.06Å; H89-N93 WeakPolarHBondContact O-CA 3.46Å; H89-N93 VanDerWaalsContact O-CB 3.29Å; H89-N93 WeakPolarHBondContact O-CB 3.28Å; H89-N93 PolarHBondContact O-N 2.81Å; H89-E94 IonicContact CE1-OE1 3.91Å; H89-E94 IonicContact NE2-OE1 2.73Å; H89-E94 PolarHBondContact NE2-OE1 2.91Å; H89-E94 PolarHBondContact O-N 3.44Å
90T98.6Very high98.1Very high0 Ų046.3 Ų46.30%021%0.213CC..Iπ-helixtrans-56.4-52176.6-53.40000111.2V11 A20 F32 I86 W87 H88 E94 L95V11-T90 HydrophobicContact CG1-CG2 4.24Å; V11-T90 HydrophobicContact CG2-CG2 4.21Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.41Å; I86-T90 WeakPolarHBondContact O-CB 3.4Å; I86-T90 PolarHBondContact O-N 3.04Å; I86-T90 PolarHBondContact O-OG1 3.26Å; W87-T90 WeakPolarHBondContact O-CA 3.05Å; W87-T90 VanDerWaalsContact O-CB 3.29Å; W87-T90 WeakPolarHBondContact O-CB 3.23Å; W87-T90 PolarHBondContact O-N 3.19Å; W87-T90 VanDerWaalsContact O-N 3.09Å; H88-T90 VanDerWaalsContact C-N 3.33Å; H88-T90 PolarHBondContact O-N 3.19Å; T90-E94 WeakPolarHBondContact O-CB 3.42Å; T90-L95 HydrophobicContact CG2-CD1 4.32Å; T90-L95 WeakPolarHBondContact O-CB 3.28Å; T90-L95 WeakPolarHBondContact O-CG 3.33Å; T90-L95 PolarHBondContact O-N 3.38Å
91F98.6Very high98Very high0 Ų050.1 Ų50.10%023%0.233CC..Iπ-helixtrans-73.3-51.3-175.8-58.8-49.1000112.3L9 V11 W87 H88 H89 L95 R96 V97 P99 V104 M124 F128L9-F91 HydrophobicContact CD1-CD1 3.85Å; L9-F91 HydrophobicContact CD1-CE1 3.92Å; V11-F91 HydrophobicContact CG2-CE1 4.07Å; W87-F91 HydrophobicContact CB-CD2 4.47Å; W87-F91 HydrophobicContact CB-CE2 4.02Å; W87-F91 WeakPolarHBondContact O-CD2 3.45Å; W87-F91 WeakPolarHBondContact O-CG 3.44Å; W87-F91 PolarHBondContact O-N 3.27Å; H88-F91 PolarHBondContact O-N 2.8Å; H89-F91 PolarHBondContact O-N 2.81Å; F91-L95 CarbonylContact O-C 3.55Å; F91-R96 WeakPolarHBondContact O-CA 3.29Å; F91-R96 PolarHBondContact O-N 2.81Å; F91-V97 PolarHBondContact O-N 3.28Å; F91-P99 HydrophobicContact CB-CB 4.42Å; F91-P99 HydrophobicContact CB-CG 4.25Å; F91-P99 HydrophobicContact CD1-CB 4.23Å; F91-P99 HydrophobicContact CD2-CB 3.8Å; F91-P99 HydrophobicContact CD2-CG 3.89Å; F91-P99 HydrophobicContact CE1-CB 4.46Å; F91-P99 HydrophobicContact CE2-CB 4.04Å; F91-P99 HydrophobicContact CE2-CG 4.48Å; F91-P99 HydrophobicContact CG-CB 3.9Å; F91-P99 HydrophobicContact CG-CG 4.13Å; F91-P99 HydrophobicContact CZ-CB 4.37Å; F91-V104 HydrophobicContact CE1-CG1 4.34Å; F91-V104 HydrophobicContact CE1-CG2 4.23Å; F91-V104 HydrophobicContact CZ-CG1 4.14Å; F91-V104 HydrophobicContact CZ-CG2 4.22Å; F91-M124 HydrophobicContact CE2-CE 4.25Å; F91-M124 HydrophobicContact CE2-SD 4.35Å; F91-M124 HydrophobicContact CZ-CE 4.25Å; F91-M124 HydrophobicContact CZ-SD 4.14Å; F91-F128 AromaticContact CD2-CD1 3.86Å; F91-F128 HydrophobicContact CD2-CD1 3.86Å; F91-F128 AromaticContact CD2-CE1 3.93Å; F91-F128 HydrophobicContact CD2-CE1 3.93Å; F91-F128 HydrophobicContact CD2-CG 4.26Å; F91-F128 HydrophobicContact CD2-CZ 4.4Å; F91-F128 HydrophobicContact CE2-CD1 4.04Å; F91-F128 HydrophobicContact CE2-CD2 4.11Å; F91-F128 HydrophobicContact CE2-CE1 4.25Å; F91-F128 HydrophobicContact CE2-CE2 4.32Å; F91-F128 AromaticContact CE2-CG 3.97Å; F91-F128 HydrophobicContact CE2-CG 3.97Å; F91-F128 HydrophobicContact CE2-CZ 4.38Å
92Y98.1Very high98Very high86 Ų8646.2 Ų46.234%0.33721%0.211SC..Iπ-helixtrans-91.3-27.5-167.5-61-71.6000114.4H88 V97 P99 F128H88-Y92 HydrophobicContact CB-CD2 4.43Å; H88-Y92 AromaticContact CD2-CD2 3.61Å; H88-Y92 AromaticContact CD2-CE2 3.67Å; H88-Y92 AromaticContact CE1-CD2 3.47Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.47Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.27Å; H88-Y92 AromaticContact CG-CD2 3.66Å; H88-Y92 AromaticContact ND1-CD2 3.58Å; H88-Y92 AromaticContact NE2-CD2 3.52Å; H88-Y92 AromaticContact NE2-CE2 3.78Å; H88-Y92 WeakPolarHBondContact O-CB 3.25Å; H88-Y92 VanDerWaalsContact O-CD2 3.27Å; H88-Y92 WeakPolarHBondContact O-CD2 3.5Å; H88-Y92 PolarHBondContact O-N 2.8Å; Y92-V97 WeakPolarHBondContact CD1-O 3.4Å; Y92-P99 HydrophobicContact CE2-CG 4.42Å; Y92-P99 WeakPolarHBondContact OH-CD 3.45Å; Y92-F128 HydrophobicContact CE2-CD1 4.47Å; Y92-F128 HydrophobicContact CE2-CE1 4.31Å
93N97.3Very high98Very high77 Ų7747.1 Ų47.141%0.41222%0.217SC..Iπ-helixtrans-100.1-48.7-178.3-62.9103000112.4H89 R96H89-N93 WeakPolarHBondContact ND1-CB 3.1Å; H89-N93 PolarHBondContact ND1-OD1 3.06Å; H89-N93 WeakPolarHBondContact O-CA 3.46Å; H89-N93 VanDerWaalsContact O-CB 3.29Å; H89-N93 WeakPolarHBondContact O-CB 3.28Å; H89-N93 PolarHBondContact O-N 2.81Å; N93-R96 WeakPolarHBondContact O-CG 3.37Å
94E98.2Very high98Very high71 Ų7147 Ų4733%0.33222%0.217SC..Iπ-helixtrans-80.9-57.1-174.9-64.6-59.8127.200111.4A30 F32 H89 T90A30-E94 HydrophobicContact CB-CB 3.67Å; A30-E94 HydrophobicContact CB-CG 4.24Å; F32-E94 HydrophobicContact CD1-CG 3.78Å; F32-E94 HydrophobicContact CE1-CG 3.81Å; F32-E94 HydrophobicContact CG-CG 4.5Å; H89-E94 IonicContact CE1-OE1 3.91Å; H89-E94 IonicContact NE2-OE1 2.73Å; H89-E94 PolarHBondContact NE2-OE1 2.91Å; H89-E94 PolarHBondContact O-N 3.44Å; T90-E94 WeakPolarHBondContact O-CB 3.42Å
95L97.9Very high98Very high17 Ų1744.8 Ų44.89%0.08921%0.206CC..Iπ-helixtrans-83.4-25.7179.7-62.1-177.8000113.4L9 A20 R29 T90 F91 V97L9-L95 HydrophobicContact CD1-CD1 4.24Å; L9-L95 HydrophobicContact CD2-CD1 4.09Å; A20-L95 HydrophobicContact CB-CD1 4.02Å; A20-L95 HydrophobicContact CB-CD2 4.3Å; A20-L95 HydrophobicContact CB-CG 4.28Å; R29-L95 HydrophobicContact CB-CD2 3.97Å; T90-L95 HydrophobicContact CG2-CD1 4.32Å; T90-L95 WeakPolarHBondContact O-CB 3.28Å; T90-L95 WeakPolarHBondContact O-CG 3.33Å; T90-L95 PolarHBondContact O-N 3.38Å; F91-L95 CarbonylContact O-C 3.55Å; L95-V97 HydrophobicContact CB-CG2 3.87Å
96R98Very high98.1Very high208 Ų20842 Ų4279%0.78519%0.194SC*.  trans56.447.2-178.4-53.7-179.3-175.9179.81.7113.1F91 N93F91-R96 WeakPolarHBondContact O-CA 3.29Å; F91-R96 PolarHBondContact O-N 2.81Å; N93-R96 WeakPolarHBondContact O-CG 3.37Å
97V97.8Very high98Very high25 Ų2542 Ų4215%0.15219%0.194CC..  trans-125.2160.7178.9-650000111.6L9 F22 F91 Y92 L95L9-V97 HydrophobicContact CD1-CG2 3.73Å; L9-V97 HydrophobicContact CD2-CG2 4.5Å; F22-V97 HydrophobicContact CE1-CG1 4.23Å; F22-V97 HydrophobicContact CZ-CG1 3.58Å; F91-V97 PolarHBondContact O-N 3.28Å; Y92-V97 WeakPolarHBondContact CD1-O 3.4Å; L95-V97 HydrophobicContact CB-CG2 3.87Å
98A97.7Very high97.9Very high22 Ų2242.6 Ų42.618%0.18220%0.197CC..  trans-89.6111.9169.200000109E100 E101 H102A98-E100 HydrophobicContact CB-CG 4.22Å; A98-E100 PolarHBondContact O-N 3.46Å; A98-E101 HydrophobicContact CB-CG 4.04Å; A98-E101 WeakPolarHBondContact O-CB 3.28Å; A98-E101 PolarHBondContact O-N 3.44Å; A98-H102 PolarHBondContact O-CD2 2.98Å
99P97.6Very high97.8Very high0 Ų038.1 Ų38.10%018%0.177CC..G310 helixtrans-61.3-25-176.824.7-33.6000113.7F91 Y92 E101 H102 F128 T130F91-P99 HydrophobicContact CB-CB 4.42Å; F91-P99 HydrophobicContact CB-CG 4.25Å; F91-P99 HydrophobicContact CD1-CB 4.23Å; F91-P99 HydrophobicContact CD2-CB 3.8Å; F91-P99 HydrophobicContact CD2-CG 3.89Å; F91-P99 HydrophobicContact CE1-CB 4.46Å; F91-P99 HydrophobicContact CE2-CB 4.04Å; F91-P99 HydrophobicContact CE2-CG 4.48Å; F91-P99 HydrophobicContact CG-CB 3.9Å; F91-P99 HydrophobicContact CG-CG 4.13Å; F91-P99 HydrophobicContact CZ-CB 4.37Å; Y92-P99 HydrophobicContact CE2-CG 4.42Å; Y92-P99 WeakPolarHBondContact OH-CD 3.45Å; P99-E101 PolarHBondContact O-N 3.11Å; P99-H102 PolarHBondContact O-N 3.22Å; P99-H102 VanDerWaalsContact O-N 3.15Å; P99-H102 VanDerWaalsContact O-O 3.08Å; P99-F128 HydrophobicContact CB-CB 4.15Å; P99-F128 HydrophobicContact CG-CB 3.98Å; P99-F128 HydrophobicContact CG-CD1 3.87Å; P99-F128 HydrophobicContact CG-CG 4.32Å; P99-T130 HydrophobicContact CB-CG2 4.19Å
100E97.8Very high97.6Very high92 Ų9237.5 Ų37.543%0.4317%0.174SC..G310 helixtrans-64.2-13.717361.3-94-140.200114A98 N129 P131A98-E100 HydrophobicContact CB-CG 4.22Å; A98-E100 PolarHBondContact O-N 3.46Å; E100-N129 WeakPolarHBondContact CA-O 3.16Å; E100-N129 HydrophobicContact CB-CB 4.15Å; E100-P131 WeakPolarHBondContact O-CD 3.34Å
101E97.3Very high97.3Very high125 Ų12542.6 Ų42.658%0.58420%0.201SC*.G310 helixtrans-96.7-1.9176.8-61.7-178.7173.400112.9V6 A98 P99V6-E101 WeakPolarHBondContact CG1-O 3.28Å; A98-E101 HydrophobicContact CB-CG 4.04Å; A98-E101 WeakPolarHBondContact O-CB 3.28Å; A98-E101 PolarHBondContact O-N 3.44Å; P99-E101 PolarHBondContact O-N 3.11Å
102H97.5Very high97.1Very high26 Ų2643.6 Ų43.612%0.1221%0.206CC..SBendtrans-139.1134.9-171.6-63.4-84.8000113.9Q7 L9 F22 A98 P99 P131Q7-H102 PolarHBondContact O-ND1 3.29Å; L9-H102 HydrophobicContact CD1-CB 3.92Å; L9-H102 HydrophobicContact CG-CB 3.79Å; F22-H102 AromaticContact CE1-CE1 3.94Å; A98-H102 PolarHBondContact O-CD2 2.98Å; P99-H102 PolarHBondContact O-N 3.22Å; P99-H102 VanDerWaalsContact O-N 3.15Å; P99-H102 VanDerWaalsContact O-O 3.08Å; H102-P131 VanDerWaalsContact O-CD 3.32Å; H102-P131 WeakPolarHBondContact O-CD 3.23Å
103P97.8Very high97Very high20 Ų2042.2 Ų42.213%0.1321%0.208CC..  trans-58.4142.9163.4-21.933.1000111.3A8 L9 A132 W357A8-P103 CarbonylContact C-O 3.58Å; A8-P103 VanDerWaalsContact CA-O 3.28Å; A8-P103 WeakPolarHBondContact CA-O 3.49Å; A8-P103 HydrophobicContact CB-CB 4.03Å; L9-P103 PolarHBondContact N-O 2.97Å; P103-A132 CarbonylContact C-O 3.47Å; P103-A132 VanDerWaalsContact CA-O 3.25Å; P103-A132 WeakPolarHBondContact CA-O 3.41Å; P103-A132 HydrophobicContact CB-CB 4.18Å; P103-W357 HydrophobicContact CB-CD2 4.37Å; P103-W357 HydrophobicContact CB-CE3 4.38Å; P103-W357 HydrophobicContact CB-CH2 4.05Å; P103-W357 HydrophobicContact CB-CZ2 4.02Å; P103-W357 HydrophobicContact CB-CZ3 4.24Å
104V98.6Very high97Very high0 Ų045.6 Ų45.60%022%0.219CC..EExtended strand (participates in β ladder)trans-123.7117.9-177.7-1770000112.1L9 V11 F91 L106 M124 T130 A132 M133 Y134L9-V104 HydrophobicContact CB-CG2 4.38Å; L9-V104 HydrophobicContact CD1-CG2 4.44Å; V11-V104 HydrophobicContact CG2-CG1 4.27Å; F91-V104 HydrophobicContact CE1-CG1 4.34Å; F91-V104 HydrophobicContact CE1-CG2 4.23Å; F91-V104 HydrophobicContact CZ-CG1 4.14Å; F91-V104 HydrophobicContact CZ-CG2 4.22Å; V104-L106 HydrophobicContact CG1-CD2 3.83Å; V104-L106 HydrophobicContact CG1-CG 4.18Å; V104-M124 HydrophobicContact CB-SD 4.48Å; V104-M124 HydrophobicContact CG1-SD 4.17Å; V104-T130 HydrophobicContact CB-CG2 4.27Å; V104-T130 HydrophobicContact CG2-CG2 3.56Å; V104-A132 PolarHBondContact N-O 3.35Å; V104-M133 CarbonylContact O-C 3.56Å; V104-M133 WeakPolarHBondContact O-CA 3.32Å; V104-M133 VanDerWaalsContact O-CB 3.27Å; V104-M133 WeakPolarHBondContact O-CB 3.4Å; V104-Y134 PolarHBondContact O-N 2.95Å
105L98.5Very high97Very high0 Ų045.2 Ų45.20%023%0.228CC..EExtended strand (participates in β ladder)trans-90.5115.5166.6-168.9153.3000109.4L9 V10 V11 T107 Y134 L141 L347 A348 F353 W357L9-L105 PolarHBondContact O-N 3.46Å; V10-L105 WeakPolarHBondContact CA-O 3.47Å; V10-L105 HydrophobicContact CG1-CD2 4.19Å; V10-L105 HydrophobicContact CG2-CB 4.37Å; V11-L105 PolarHBondContact N-O 2.98Å; L105-T107 HydrophobicContact CD2-CG2 4.16Å; L105-Y134 WeakPolarHBondContact CA-O 3.49Å; L105-Y134 HydrophobicContact CD1-CD1 4.19Å; L105-Y134 HydrophobicContact CG-CD1 4.26Å; L105-L141 HydrophobicContact CD2-CD1 4.01Å; L105-L347 HydrophobicContact CD1-CD2 4.24Å; L105-A348 HydrophobicContact CD1-CB 4.23Å; L105-F353 HydrophobicContact CD1-CE1 4.29Å; L105-F353 HydrophobicContact CD1-CZ 4.1Å; L105-W357 HydrophobicContact CB-CH2 3.88Å; L105-W357 HydrophobicContact CB-CZ3 4.16Å
106L98.5Very high97Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans-96.6152.1170.2-60.9177.3000110.1V11 W87 V104 M120 M124 M133 Y134 V135 G136V11-L106 HydrophobicContact CB-CD2 3.91Å; V11-L106 HydrophobicContact CG1-CD2 4.42Å; V11-L106 HydrophobicContact CG2-CD2 4.42Å; W87-L106 HydrophobicContact CH2-CD1 4.33Å; W87-L106 HydrophobicContact CZ2-CD1 4.04Å; W87-L106 HydrophobicContact CZ2-CD2 4.38Å; V104-L106 HydrophobicContact CG1-CD2 3.83Å; V104-L106 HydrophobicContact CG1-CG 4.18Å; L106-M120 HydrophobicContact CD1-CB 4.07Å; L106-M120 HydrophobicContact CD1-SD 4.4Å; L106-M124 HydrophobicContact CD1-CE 3.9Å; L106-M124 HydrophobicContact CD1-CG 3.71Å; L106-M124 HydrophobicContact CD1-SD 4.16Å; L106-M124 HydrophobicContact CD2-CE 3.96Å; L106-M124 HydrophobicContact CD2-SD 4.35Å; L106-M124 HydrophobicContact CG-CE 4.45Å; L106-M133 HydrophobicContact CD1-CE 4.2Å; L106-Y134 PolarHBondContact N-O 2.87Å; L106-V135 CarbonylContact O-C 3.36Å; L106-V135 VanDerWaalsContact O-CA 3.31Å; L106-V135 WeakPolarHBondContact O-CA 3.22Å; L106-G136 PolarHBondContact O-N 3.06Å
107T97.8Very high97Very high2 Ų236.8 Ų36.81%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-106.6152.2171.874.90000112.2V11 D12 N13 L105 G136 Q138 L141 V340V11-T107 PolarHBondContact O-N 3.25Å; V11-T107 VanDerWaalsContact O-N 3.13Å; D12-T107 VanDerWaalsContact CA-OG1 3.27Å; D12-T107 WeakPolarHBondContact CA-OG1 3.45Å; D12-T107 HydrophobicContact CB-CG2 4.16Å; D12-T107 PolarHBondContact OD1-OG1 2.88Å; D12-T107 VanDerWaalsContact OD1-OG1 3.09Å; N13-T107 PolarHBondContact N-OG1 2.73Å; N13-T107 VanDerWaalsContact N-OG1 3.07Å; N13-T107 PolarHBondContact ND2-O 2.99Å; N13-T107 VanDerWaalsContact ND2-O 3.14Å; L105-T107 HydrophobicContact CD2-CG2 4.16Å; T107-G136 CarbonylContact C-O 3.57Å; T107-G136 VanDerWaalsContact CA-O 3.25Å; T107-G136 WeakPolarHBondContact CA-O 3.42Å; T107-Q138 PolarHBondContact OG1-NE2 3.43Å; T107-L141 HydrophobicContact CG2-CD1 3.59Å; T107-V340 HydrophobicContact CG2-CG1 3.76Å
108E96.8Very high97Very high12 Ų1239 Ų396%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-134.4149.1173.969-176.6175.400112.5N112 R117 M120 V135 G136 I137 Q138E108-N112 HydrophobicContact CB-CB 4.21Å; E108-N112 HydrophobicContact CG-CB 4.37Å; E108-N112 WeakPolarHBondContact OE2-CB 3.34Å; E108-N112 PolarHBondContact OE2-ND2 3.05Å; E108-R117 IonicContact OE1-CZ 3.02Å; E108-R117 IonicContact OE1-NE 3.31Å; E108-R117 PolarHBondContact OE1-NE 3.12Å; E108-R117 IonicContact OE1-NH2 3.43Å; E108-R117 PolarHBondContact OE1-NH2 3.36Å; E108-R117 WeakPolarHBondContact OE2-CG 3.22Å; E108-R117 IonicContact OE2-NE 2.72Å; E108-R117 PolarHBondContact OE2-NE 2.88Å; E108-M120 HydrophobicContact CB-CE 4.33Å; E108-V135 HydrophobicContact CB-CG1 3.88Å; E108-V135 HydrophobicContact CG-CG1 3.63Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.43Å; E108-G136 PolarHBondContact N-O 2.87Å; E108-I137 HydrophobicContact CG-CG1 4.43Å; E108-I137 WeakPolarHBondContact O-CA 3.44Å; E108-Q138 WeakPolarHBondContact O-CG 3.38Å; E108-Q138 PolarHBondContact O-N 2.84Å
109A95Very high97Very high2 Ų240.9 Ų40.92%0.01721%0.209CC..  trans-64.2151.6166.200000110.3N112A109-N112 PolarHBondContact O-N 2.8Å
110P94.4Very high97Very high3 Ų341.1 Ų41.12%0.01921%0.21CC..THydrogen-bonded Turntrans-59.8152.117329.2-37.2000111N112 I137 H162 V164 I176P110-N112 PolarHBondContact O-N 2.75Å; P110-I137 HydrophobicContact CB-CG2 4.19Å; P110-H162 HydrophobicContact CG-CB 3.82Å; P110-H162 VanDerWaalsContact CG-CG 3.47Å; P110-V164 HydrophobicContact CB-CG2 4.11Å; P110-V164 HydrophobicContact CG-CG2 3.79Å; P110-I176 HydrophobicContact CB-CD1 3.9Å; P110-I176 HydrophobicContact CB-CG2 4.03Å; P110-I176 HydrophobicContact CG-CG2 4.19Å
111L91.8Very high97.1Very high107 Ų10736.7 Ų36.756%0.5619%0.19SC*.THydrogen-bonded Turntrans62.624.6-179-47.3174.9000114.2I176L111-I176 HydrophobicContact CD1-CG2 4.07Å; L111-I176 HydrophobicContact CD2-CD1 4.39Å; L111-I176 HydrophobicContact CG-CG2 4.23Å
112N95Very high97.1Very high20 Ų2033.6 Ų33.611%0.10718%0.175CC..  trans-58.1131.9174-168.424.8000111E108 A109 P110 K114 N116 M120E108-N112 HydrophobicContact CB-CB 4.21Å; E108-N112 HydrophobicContact CG-CB 4.37Å; E108-N112 WeakPolarHBondContact OE2-CB 3.34Å; E108-N112 PolarHBondContact OE2-ND2 3.05Å; A109-N112 PolarHBondContact O-N 2.8Å; P110-N112 PolarHBondContact O-N 2.75Å; N112-K114 PolarHBondContact O-N 3.14Å; N112-N116 WeakPolarHBondContact OD1-CB 3.36Å; N112-M120 VanDerWaalsContact ND2-CE 3.32Å; N112-M120 WeakPolarHBondContact ND2-CE 3.22Å
113P96.3Very high97.2Very high58 Ų5832.4 Ų32.438%0.37717%0.17SC..  trans-54.7139.2179.1-29.236.1000112.6A115 N116 R117P113-A115 PolarHBondContact O-N 2.61Å; P113-N116 HydrophobicContact CB-CB 4.38Å; P113-N116 WeakPolarHBondContact O-CA 2.99Å; P113-N116 WeakPolarHBondContact O-CB 3.21Å; P113-N116 PolarHBondContact O-N 2.86Å; P113-R117 PolarHBondContact O-N 2.96Å
114K96.5Very high97.2Very high147 Ų14731.5 Ų31.564%0.63916%0.164SC*.Hα-helixtrans-54.8-41.3179.7-74-170.1175.3-175.80113N112 N116 R117 E118 H372N112-K114 PolarHBondContact O-N 3.14Å; K114-N116 PolarHBondContact O-N 3.38Å; K114-R117 WeakPolarHBondContact O-CB 3.34Å; K114-R117 PolarHBondContact O-N 2.93Å; K114-R117 VanDerWaalsContact O-N 3.12Å; K114-E118 PolarHBondContact O-N 3.46Å; K114-H372 VanDerWaalsContact CB-CE1 3.47Å; K114-H372 WeakPolarHBondContact CB-CE1 3.35Å; K114-H372 PolarHBondContact O-CE1 2.86Å
115A97.7Very high97.2Very high64 Ų6431.5 Ų31.553%0.52916%0.164SC..Hα-helixtrans-59.7-34.3176.100000112.4P113 E118 K119P113-A115 PolarHBondContact O-N 2.61Å; A115-E118 PolarHBondContact O-N 3.28Å; A115-K119 WeakPolarHBondContact O-CB 3.31Å; A115-K119 PolarHBondContact O-N 3.35Å
116N97.9Very high97.2Very high21 Ų2136.2 Ų36.211%0.11219%0.186CC..Hα-helixtrans-69.4-41.4175.9-76.425.9000111.2I76 V77 W80 N112 P113 K114 E118 K119 M120I76-N116 WeakPolarHBondContact CG2-ND2 3.44Å; V77-N116 PolarHBondContact O-ND2 3.4Å; V77-N116 VanDerWaalsContact O-ND2 3.16Å; W80-N116 HydrophobicContact CH2-CB 4.24Å; W80-N116 WeakPolarHBondContact CH2-O 3.33Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; N112-N116 WeakPolarHBondContact OD1-CB 3.36Å; P113-N116 HydrophobicContact CB-CB 4.38Å; P113-N116 WeakPolarHBondContact O-CA 2.99Å; P113-N116 WeakPolarHBondContact O-CB 3.21Å; P113-N116 PolarHBondContact O-N 2.86Å; K114-N116 PolarHBondContact O-N 3.38Å; N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 3.33Å; N116-K119 PolarHBondContact O-N 2.82Å; N116-M120 WeakPolarHBondContact O-CG 3.36Å; N116-M120 PolarHBondContact O-N 3.15Å
117R97.8Very high97.2Very high26 Ų2639.4 Ų39.410%0.09821%0.206CC..Hα-helixtrans-59.3-44.6174.8-48.8-177.186.5-154.910.4111.6E108 P113 K114 M120 T121 V371 C375E108-R117 IonicContact OE1-CZ 3.02Å; E108-R117 IonicContact OE1-NE 3.31Å; E108-R117 PolarHBondContact OE1-NE 3.12Å; E108-R117 IonicContact OE1-NH2 3.43Å; E108-R117 PolarHBondContact OE1-NH2 3.36Å; E108-R117 WeakPolarHBondContact OE2-CG 3.22Å; E108-R117 IonicContact OE2-NE 2.72Å; E108-R117 PolarHBondContact OE2-NE 2.88Å; P113-R117 PolarHBondContact O-N 2.96Å; K114-R117 WeakPolarHBondContact O-CB 3.34Å; K114-R117 PolarHBondContact O-N 2.93Å; K114-R117 VanDerWaalsContact O-N 3.12Å; R117-M120 HydrophobicContact CB-CE 4.37Å; R117-M120 HydrophobicContact CG-CE 4.39Å; R117-M120 PolarHBondContact O-N 3.24Å; R117-T121 WeakPolarHBondContact O-CB 3.4Å; R117-T121 PolarHBondContact O-N 3.31Å; R117-T121 PolarHBondContact O-OG1 3.19Å; R117-V371 HydrophobicContact CB-CG1 3.72Å; R117-V371 HydrophobicContact CB-CG2 4.22Å; R117-C375 PolarHBondContact NH1-O 2.85Å; R117-C375 PolarHBondContact NH2-O 2.96Å
118E98.4Very high97.2Very high72 Ų7239.7 Ų39.734%0.33621%0.207SC..Hα-helixtrans-62.3-42.9175.5-72.4172-155.600111.5K114 A115 N116 T121 Q122 P368 V371 H372K114-E118 PolarHBondContact O-N 3.46Å; A115-E118 PolarHBondContact O-N 3.28Å; N116-E118 VanDerWaalsContact C-N 3.32Å; N116-E118 PolarHBondContact O-N 3.33Å; E118-T121 WeakPolarHBondContact O-CB 3.21Å; E118-T121 PolarHBondContact O-N 3.34Å; E118-Q122 WeakPolarHBondContact O-CB 3.47Å; E118-Q122 PolarHBondContact O-N 2.89Å; E118-P368 HydrophobicContact CB-CB 3.74Å; E118-P368 HydrophobicContact CG-CB 4.02Å; E118-V371 HydrophobicContact CG-CG1 4.45Å; E118-H372 WeakPolarHBondContact CG-NE2 3.34Å; E118-H372 IonicContact OE1-CD2 2.73Å; E118-H372 IonicContact OE1-CE1 3.63Å; E118-H372 IonicContact OE1-NE2 3.62Å; E118-H372 PolarHBondContact OE1-NE2 3.36Å
119K98.4Very high97.3Very high61 Ų6143.4 Ų43.427%0.26523%0.227SC..Hα-helixtrans-68-39.3179.8-169.856.3174.9168.10112.9W80 A115 N116 T121 Q122 I123W80-K119 HydrophobicContact CD2-CB 4.16Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.48Å; W80-K119 HydrophobicContact CE3-CB 4.41Å; W80-K119 HydrophobicContact CE3-CG 3.73Å; W80-K119 HydrophobicContact CG-CG 3.77Å; W80-K119 HydrophobicContact CH2-CB 4.04Å; W80-K119 HydrophobicContact CH2-CG 4.25Å; W80-K119 HydrophobicContact CZ2-CB 3.75Å; W80-K119 HydrophobicContact CZ2-CG 3.94Å; W80-K119 HydrophobicContact CZ3-CB 4.35Å; W80-K119 HydrophobicContact CZ3-CG 4.15Å; A115-K119 WeakPolarHBondContact O-CB 3.31Å; A115-K119 PolarHBondContact O-N 3.35Å; N116-K119 PolarHBondContact O-N 2.82Å; K119-T121 VanDerWaalsContact C-N 3.27Å; K119-T121 PolarHBondContact O-N 3.12Å; K119-Q122 PolarHBondContact O-N 3.44Å; K119-I123 HydrophobicContact CD-CD1 4.19Å; K119-I123 HydrophobicContact CD-CG1 4.36Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.3Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.19Å; K119-I123 PolarHBondContact O-N 2.96Å
120M98.1Very high97.4Very high5 Ų543.3 Ų43.33%0.02523%0.226CC..Hα-helixtrans-56.7-45.6170-64.6-170.1-74.500110.6W80 W87 L106 E108 N112 N116 R117 I123 M124 V135W80-M120 HydrophobicContact CH2-CG 3.56Å; W80-M120 HydrophobicContact CZ3-CG 3.78Å; W87-M120 HydrophobicContact CH2-CB 4.22Å; W87-M120 HydrophobicContact CH2-CG 3.94Å; W87-M120 HydrophobicContact CZ2-CG 4.44Å; L106-M120 HydrophobicContact CD1-CB 4.07Å; L106-M120 HydrophobicContact CD1-SD 4.4Å; E108-M120 HydrophobicContact CB-CE 4.33Å; N112-M120 VanDerWaalsContact ND2-CE 3.32Å; N112-M120 WeakPolarHBondContact ND2-CE 3.22Å; N116-M120 WeakPolarHBondContact O-CG 3.36Å; N116-M120 PolarHBondContact O-N 3.15Å; R117-M120 HydrophobicContact CB-CE 4.37Å; R117-M120 HydrophobicContact CG-CE 4.39Å; R117-M120 PolarHBondContact O-N 3.24Å; M120-I123 PolarHBondContact O-N 2.94Å; M120-M124 WeakPolarHBondContact O-CG 3.41Å; M120-M124 PolarHBondContact O-N 2.88Å; M120-M124 VanDerWaalsContact O-N 3.09Å; M120-V135 HydrophobicContact CE-CG1 3.7Å; M120-V135 HydrophobicContact CE-CG2 4.17Å
121T98.2Very high97.6Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-62.5-47.7-179.1-53.70000111.8R117 E118 K119 I123 M124 F125 M133 Y363 I370 V371R117-T121 WeakPolarHBondContact O-CB 3.4Å; R117-T121 PolarHBondContact O-N 3.31Å; R117-T121 PolarHBondContact O-OG1 3.19Å; E118-T121 WeakPolarHBondContact O-CB 3.21Å; E118-T121 PolarHBondContact O-N 3.34Å; K119-T121 VanDerWaalsContact C-N 3.27Å; K119-T121 PolarHBondContact O-N 3.12Å; T121-I123 PolarHBondContact O-N 2.95Å; T121-M124 PolarHBondContact O-N 2.87Å; T121-F125 HydrophobicContact CG2-CD2 3.81Å; T121-F125 HydrophobicContact CG2-CE2 3.86Å; T121-F125 VanDerWaalsContact O-CD2 3.3Å; T121-F125 WeakPolarHBondContact O-CD2 3.09Å; T121-F125 PolarHBondContact O-N 2.94Å; T121-M133 VanDerWaalsContact CA-SD 3.55Å; T121-M133 HydrophobicContact CG2-SD 4.01Å; T121-Y363 HydrophobicContact CG2-CD2 3.81Å; T121-Y363 HydrophobicContact CG2-CE2 4.13Å; T121-I370 HydrophobicContact CG2-CG2 4.38Å; T121-V371 WeakPolarHBondContact OG1-CB 3.44Å
122Q98.3Very high97.9Very high60 Ų6041.1 Ų41.128%0.2822%0.219SC..Hα-helixtrans-57.7-49.3176.9-170.8-173.7-10.500111.5E118 K119 M124 F125 E126 P368E118-Q122 WeakPolarHBondContact O-CB 3.47Å; E118-Q122 PolarHBondContact O-N 2.89Å; K119-Q122 PolarHBondContact O-N 3.44Å; Q122-M124 PolarHBondContact O-N 3.19Å; Q122-F125 PolarHBondContact O-N 2.69Å; Q122-E126 HydrophobicContact CG-CG 4Å; Q122-E126 VanDerWaalsContact CG-OE1 3.32Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.17Å; Q122-E126 VanDerWaalsContact CG-OE2 3.26Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.44Å; Q122-E126 PolarHBondContact NE2-OE2 3.41Å; Q122-E126 VanDerWaalsContact O-CB 3.23Å; Q122-E126 WeakPolarHBondContact O-CB 3.35Å; Q122-E126 WeakPolarHBondContact O-CG 2.97Å; Q122-E126 PolarHBondContact O-N 2.89Å; Q122-P368 HydrophobicContact CB-CG 4.33Å
123I98.5Very high98Very high1 Ų140.2 Ų40.21%0.00521%0.214CC..Iπ-helixtrans-63.9-44.5-176.6-69.8164.9000111.6W80 E84 W87 K119 M120 T121 F125 T127 F128W80-I123 HydrophobicContact CD2-CD1 4.29Å; W80-I123 HydrophobicContact CE3-CD1 3.51Å; W80-I123 HydrophobicContact CZ3-CD1 4.13Å; E84-I123 HydrophobicContact CG-CD1 3.76Å; E84-I123 HydrophobicContact CG-CG1 4.16Å; E84-I123 HydrophobicContact CG-CG2 3.74Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.35Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.39Å; W87-I123 HydrophobicContact CE3-CG2 3.75Å; W87-I123 HydrophobicContact CZ3-CB 3.99Å; W87-I123 HydrophobicContact CZ3-CD1 3.85Å; W87-I123 HydrophobicContact CZ3-CG2 3.62Å; K119-I123 HydrophobicContact CD-CD1 4.19Å; K119-I123 HydrophobicContact CD-CG1 4.36Å; K119-I123 HydrophobicContact CG-CD1 3.99Å; K119-I123 WeakPolarHBondContact O-CD1 3.3Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.19Å; K119-I123 PolarHBondContact O-N 2.96Å; M120-I123 PolarHBondContact O-N 2.94Å; T121-I123 PolarHBondContact O-N 2.95Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3.26Å; I123-T127 WeakPolarHBondContact O-CA 3.36Å; I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.5Å; I123-T127 PolarHBondContact O-N 3.13Å; I123-F128 HydrophobicContact CG2-CD2 3.75Å; I123-F128 HydrophobicContact CG2-CE2 3.61Å; I123-F128 PolarHBondContact O-N 2.91Å; I123-F128 VanDerWaalsContact O-N 3.07Å
124M98.5Very high98.1Very high0 Ų038.5 Ų38.50%020%0.201CC..Iπ-helixtrans-60.9-42.2-179.9-71.4-65.5136.700111.7W87 F91 V104 L106 M120 T121 Q122 F128 N129 T130 M133W87-M124 HydrophobicContact CB-CE 4.29Å; W87-M124 HydrophobicContact CD2-CE 3.35Å; W87-M124 HydrophobicContact CE3-CE 3.39Å; W87-M124 HydrophobicContact CG-CE 3.81Å; W87-M124 HydrophobicContact CH2-CE 4.02Å; W87-M124 HydrophobicContact CZ2-CE 4.05Å; W87-M124 HydrophobicContact CZ3-CE 3.72Å; F91-M124 HydrophobicContact CE2-CE 4.25Å; F91-M124 HydrophobicContact CE2-SD 4.35Å; F91-M124 HydrophobicContact CZ-CE 4.25Å; F91-M124 HydrophobicContact CZ-SD 4.14Å; V104-M124 HydrophobicContact CB-SD 4.48Å; V104-M124 HydrophobicContact CG1-SD 4.17Å; L106-M124 HydrophobicContact CD1-CE 3.9Å; L106-M124 HydrophobicContact CD1-CG 3.71Å; L106-M124 HydrophobicContact CD1-SD 4.16Å; L106-M124 HydrophobicContact CD2-CE 3.96Å; L106-M124 HydrophobicContact CD2-SD 4.35Å; L106-M124 HydrophobicContact CG-CE 4.45Å; M120-M124 WeakPolarHBondContact O-CG 3.41Å; M120-M124 PolarHBondContact O-N 2.88Å; M120-M124 VanDerWaalsContact O-N 3.09Å; T121-M124 PolarHBondContact O-N 2.87Å; Q122-M124 PolarHBondContact O-N 3.19Å; M124-F128 HydrophobicContact CE-CD2 4Å; M124-F128 HydrophobicContact CE-CE2 4.25Å; M124-F128 CarbonylContact O-C 3.28Å; M124-F128 HydrophobicContact SD-CD2 4.27Å; M124-N129 PolarHBondContact O-N 3.36Å; M124-T130 HydrophobicContact CB-CG2 4.3Å; M124-T130 PolarHBondContact O-N 3.34Å; M124-T130 PolarHBondContact O-OG1 3.41Å; M124-T130 HydrophobicContact SD-CG2 4.15Å; M124-M133 HydrophobicContact CB-SD 3.56Å; M124-M133 VanDerWaalsContact CB-SD 3.56Å; M124-M133 HydrophobicContact CG-CE 4.44Å; M124-M133 HydrophobicContact CG-SD 3.93Å
125F98.5Very high98.2Very high0 Ų031.6 Ų31.60%017%0.171CC..Iπ-helixtrans-85.5-34-178.5-74.1-57.8000115.8T121 Q122 I123 T130 M133 I358 K360 Y363T121-F125 HydrophobicContact CG2-CD2 3.81Å; T121-F125 HydrophobicContact CG2-CE2 3.86Å; T121-F125 VanDerWaalsContact O-CD2 3.3Å; T121-F125 WeakPolarHBondContact O-CD2 3.09Å; T121-F125 PolarHBondContact O-N 2.94Å; Q122-F125 PolarHBondContact O-N 2.69Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3.26Å; F125-T130 WeakPolarHBondContact CD1-O 3.41Å; F125-T130 VanDerWaalsContact CE1-O 3.31Å; F125-T130 WeakPolarHBondContact CE1-O 3.28Å; F125-M133 HydrophobicContact CD2-CG 4.29Å; F125-M133 HydrophobicContact CD2-SD 4.17Å; F125-M133 HydrophobicContact CE1-CG 4.4Å; F125-M133 HydrophobicContact CE2-CG 3.52Å; F125-M133 HydrophobicContact CE2-SD 3.88Å; F125-M133 HydrophobicContact CZ-CG 3.59Å; F125-M133 HydrophobicContact CZ-SD 4.49Å; F125-I358 HydrophobicContact CE2-CB 4.48Å; F125-I358 HydrophobicContact CE2-CG2 3.82Å; F125-I358 HydrophobicContact CZ-CB 4.32Å; F125-I358 HydrophobicContact CZ-CG2 3.87Å; F125-I358 WeakPolarHBondContact CZ-O 3.3Å; F125-K360 HydrophobicContact CB-CD 4.11Å; F125-K360 HydrophobicContact CD1-CB 4.12Å; F125-K360 HydrophobicContact CD1-CD 3.54Å; F125-K360 HydrophobicContact CD1-CG 4.44Å; F125-K360 VanDerWaalsContact CE1-CA 3.5Å; F125-K360 HydrophobicContact CE1-CB 4.01Å; F125-K360 HydrophobicContact CE1-CD 4.28Å; F125-K360 HydrophobicContact CG-CD 4.12Å; F125-K360 PolarHBondContact O-NZ 3.43Å; F125-Y363 HydrophobicContact CB-CD1 3.65Å; F125-Y363 HydrophobicContact CB-CD2 4.38Å; F125-Y363 HydrophobicContact CB-CE1 3.69Å; F125-Y363 HydrophobicContact CB-CE2 4.4Å; F125-Y363 HydrophobicContact CB-CG 4.01Å; F125-Y363 AromaticContact CD2-CD1 3.88Å; F125-Y363 HydrophobicContact CD2-CD1 3.88Å; F125-Y363 AromaticContact CD2-CD2 3.43Å; F125-Y363 HydrophobicContact CD2-CD2 3.43Å; F125-Y363 VanDerWaalsContact CD2-CD2 3.43Å; F125-Y363 HydrophobicContact CD2-CE1 4.47Å; F125-Y363 HydrophobicContact CD2-CE2 4.06Å; F125-Y363 AromaticContact CD2-CG 3.31Å; F125-Y363 HydrophobicContact CD2-CG 3.31Å; F125-Y363 AromaticContact CE2-CD2 3.99Å; F125-Y363 HydrophobicContact CE2-CD2 3.99Å; F125-Y363 AromaticContact CE2-CG 3.81Å; F125-Y363 HydrophobicContact CE2-CG 3.81Å; F125-Y363 AromaticContact CG-CD1 3.81Å; F125-Y363 HydrophobicContact CG-CD1 3.81Å; F125-Y363 HydrophobicContact CG-CD2 4.2Å; F125-Y363 HydrophobicContact CG-CE1 4.33Å; F125-Y363 AromaticContact CG-CG 3.73Å; F125-Y363 HydrophobicContact CG-CG 3.73Å
126E98.4Very high98.1Very high99 Ų9928.7 Ų28.746%0.46315%0.147SC..Iπ-helixtrans-92.6-41.5-176.4-63.9-177.6-176.100112.1Q122 Y363Q122-E126 HydrophobicContact CG-CG 4Å; Q122-E126 VanDerWaalsContact CG-OE1 3.32Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.17Å; Q122-E126 VanDerWaalsContact CG-OE2 3.26Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.44Å; Q122-E126 PolarHBondContact NE2-OE2 3.41Å; Q122-E126 VanDerWaalsContact O-CB 3.23Å; Q122-E126 WeakPolarHBondContact O-CB 3.35Å; Q122-E126 WeakPolarHBondContact O-CG 2.97Å; Q122-E126 PolarHBondContact O-N 2.89Å; E126-Y363 HydrophobicContact CG-CE1 4.33Å; E126-Y363 VanDerWaalsContact CG-OH 3.3Å; E126-Y363 WeakPolarHBondContact CG-OH 3.36Å; E126-Y363 PolarHBondContact OE1-OH 3.19Å
127T98.3Very high98.1Very high68 Ų6828.6 Ų28.642%0.41715%0.146SC..Iπ-helixtrans-88.3-51.6-178.2-540000111I123 N129I123-T127 WeakPolarHBondContact O-CA 3.36Å; I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.5Å; I123-T127 PolarHBondContact O-N 3.13Å; T127-N129 PolarHBondContact O-ND2 3.28Å
128F98.4Very high98.1Very high7 Ų728.1 Ų28.13%0.03115%0.146CC..SBendtrans-93.2-6.2-175.7-65.7-66.9000114.2W87 H88 F91 Y92 P99 I123 M124 T130W87-F128 HydrophobicContact CB-CE2 3.71Å; W87-F128 HydrophobicContact CB-CZ 3.71Å; W87-F128 HydrophobicContact CE3-CE2 4.07Å; H88-F128 HydrophobicContact CB-CE1 4.1Å; H88-F128 HydrophobicContact CB-CZ 4.2Å; F91-F128 AromaticContact CD2-CD1 3.86Å; F91-F128 HydrophobicContact CD2-CD1 3.86Å; F91-F128 AromaticContact CD2-CE1 3.93Å; F91-F128 HydrophobicContact CD2-CE1 3.93Å; F91-F128 HydrophobicContact CD2-CG 4.26Å; F91-F128 HydrophobicContact CD2-CZ 4.4Å; F91-F128 HydrophobicContact CE2-CD1 4.04Å; F91-F128 HydrophobicContact CE2-CD2 4.11Å; F91-F128 HydrophobicContact CE2-CE1 4.25Å; F91-F128 HydrophobicContact CE2-CE2 4.32Å; F91-F128 AromaticContact CE2-CG 3.97Å; F91-F128 HydrophobicContact CE2-CG 3.97Å; F91-F128 HydrophobicContact CE2-CZ 4.38Å; Y92-F128 HydrophobicContact CE2-CD1 4.47Å; Y92-F128 HydrophobicContact CE2-CE1 4.31Å; P99-F128 HydrophobicContact CB-CB 4.15Å; P99-F128 HydrophobicContact CG-CB 3.98Å; P99-F128 HydrophobicContact CG-CD1 3.87Å; P99-F128 HydrophobicContact CG-CG 4.32Å; I123-F128 HydrophobicContact CG2-CD2 3.75Å; I123-F128 HydrophobicContact CG2-CE2 3.61Å; I123-F128 PolarHBondContact O-N 2.91Å; I123-F128 VanDerWaalsContact O-N 3.07Å; M124-F128 HydrophobicContact CE-CD2 4Å; M124-F128 HydrophobicContact CE-CE2 4.25Å; M124-F128 CarbonylContact O-C 3.28Å; M124-F128 HydrophobicContact SD-CD2 4.27Å; F128-T130 HydrophobicContact CB-CG2 4.12Å; F128-T130 PolarHBondContact O-N 2.86Å; F128-T130 VanDerWaalsContact O-N 3.09Å
129N98.2Very high98Very high91 Ų9124.8 Ų24.849%0.48713%0.13SC..  trans50.933.2178-60.7-73000114.1E100 M124 T127E100-N129 WeakPolarHBondContact CA-O 3.16Å; E100-N129 HydrophobicContact CB-CB 4.15Å; M124-N129 PolarHBondContact O-N 3.36Å; T127-N129 PolarHBondContact O-ND2 3.28Å
130T98.2Very high98Very high0 Ų022.6 Ų22.60%012%0.122CC..  trans-59.6136.7-179.758.80000110.2P99 V104 M124 F125 F128 A132P99-T130 HydrophobicContact CB-CG2 4.19Å; V104-T130 HydrophobicContact CB-CG2 4.27Å; V104-T130 HydrophobicContact CG2-CG2 3.56Å; M124-T130 HydrophobicContact CB-CG2 4.3Å; M124-T130 PolarHBondContact O-N 3.34Å; M124-T130 PolarHBondContact O-OG1 3.41Å; M124-T130 HydrophobicContact SD-CG2 4.15Å; F125-T130 WeakPolarHBondContact CD1-O 3.41Å; F125-T130 VanDerWaalsContact CE1-O 3.31Å; F125-T130 WeakPolarHBondContact CE1-O 3.28Å; F128-T130 HydrophobicContact CB-CG2 4.12Å; F128-T130 PolarHBondContact O-N 2.86Å; F128-T130 VanDerWaalsContact O-N 3.09Å; T130-A132 VanDerWaalsContact C-N 3.27Å; T130-A132 PolarHBondContact O-N 3.42Å
131P97.6Very high98Very high52 Ų5222.5 Ų22.534%0.33812%0.121SC..SBendtrans-66.7-31-178.326.1-35.1000112.4E100 H102 K360E100-P131 WeakPolarHBondContact O-CD 3.34Å; H102-P131 VanDerWaalsContact O-CD 3.32Å; H102-P131 WeakPolarHBondContact O-CD 3.23Å; P131-K360 PolarHBondContact O-N 3.13Å
132A97.9Very high97.9Very high12 Ų1222.5 Ų22.510%0.09912%0.121CC..EExtended strand (participates in β ladder)trans-154.9157.4175.900000111.1P103 V104 T130 W357 I358P103-A132 CarbonylContact C-O 3.47Å; P103-A132 VanDerWaalsContact CA-O 3.25Å; P103-A132 WeakPolarHBondContact CA-O 3.41Å; P103-A132 HydrophobicContact CB-CB 4.18Å; V104-A132 PolarHBondContact N-O 3.35Å; T130-A132 VanDerWaalsContact C-N 3.27Å; T130-A132 PolarHBondContact O-N 3.42Å; A132-W357 HydrophobicContact CB-CB 4.11Å; A132-W357 HydrophobicContact CB-CG 4.44Å; A132-I358 CarbonylContact C-O 3.59Å; A132-I358 WeakPolarHBondContact CA-O 3.28Å; A132-I358 WeakPolarHBondContact CB-O 3.25Å
133M98Very high97.9Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-149.9164.5174.366.7160.4-71.500113.6V104 L106 T121 M124 F125 V135 I358V104-M133 CarbonylContact O-C 3.56Å; V104-M133 WeakPolarHBondContact O-CA 3.32Å; V104-M133 VanDerWaalsContact O-CB 3.27Å; V104-M133 WeakPolarHBondContact O-CB 3.4Å; L106-M133 HydrophobicContact CD1-CE 4.2Å; T121-M133 VanDerWaalsContact CA-SD 3.55Å; T121-M133 HydrophobicContact CG2-SD 4.01Å; M124-M133 HydrophobicContact CB-SD 3.56Å; M124-M133 VanDerWaalsContact CB-SD 3.56Å; M124-M133 HydrophobicContact CG-CE 4.44Å; M124-M133 HydrophobicContact CG-SD 3.93Å; F125-M133 HydrophobicContact CD2-CG 4.29Å; F125-M133 HydrophobicContact CD2-SD 4.17Å; F125-M133 HydrophobicContact CE1-CG 4.4Å; F125-M133 HydrophobicContact CE2-CG 3.52Å; F125-M133 HydrophobicContact CE2-SD 3.88Å; F125-M133 HydrophobicContact CZ-CG 3.59Å; F125-M133 HydrophobicContact CZ-SD 4.49Å; M133-V135 HydrophobicContact CE-CG2 3.48Å; M133-V135 VanDerWaalsContact CE-CG2 3.48Å; M133-I358 PolarHBondContact N-O 3.36Å; M133-I358 WeakPolarHBondContact O-CB 3.49Å; M133-I358 PolarHBondContact O-N 2.55Å
134Y98.2Very high97.7Very high22 Ų2223 Ų239%0.08612%0.121CC..EExtended strand (participates in β ladder)trans-146.1151.4174.2-172.6-94.1000110V104 L105 L106 L347 F353 M356 C375V104-Y134 PolarHBondContact O-N 2.95Å; L105-Y134 WeakPolarHBondContact CA-O 3.49Å; L105-Y134 HydrophobicContact CD1-CD1 4.19Å; L105-Y134 HydrophobicContact CG-CD1 4.26Å; L106-Y134 PolarHBondContact N-O 2.87Å; Y134-L347 HydrophobicContact CE1-CD2 4.46Å; Y134-F353 HydrophobicContact CD1-CE2 4.11Å; Y134-F353 AromaticContact CD1-CZ 3.62Å; Y134-F353 HydrophobicContact CD1-CZ 3.62Å; Y134-F353 HydrophobicContact CD2-CE2 4.11Å; Y134-F353 AromaticContact CD2-CZ 3.81Å; Y134-F353 HydrophobicContact CD2-CZ 3.81Å; Y134-F353 HydrophobicContact CE1-CE2 4.06Å; Y134-F353 HydrophobicContact CE1-CZ 4.05Å; Y134-F353 HydrophobicContact CE2-CE2 4.05Å; Y134-F353 HydrophobicContact CE2-CZ 4.22Å; Y134-F353 HydrophobicContact CG-CE2 4.15Å; Y134-F353 AromaticContact CG-CZ 3.5Å; Y134-F353 HydrophobicContact CG-CZ 3.5Å; Y134-M356 HydrophobicContact CD2-CB 4.43Å; Y134-M356 WeakPolarHBondContact CD2-O 3.37Å; Y134-M356 HydrophobicContact CE2-CB 4.21Å; Y134-M356 HydrophobicContact CE2-CE 4.47Å; Y134-C375 WeakPolarHBondContact CD2-SG 3.46Å; Y134-C375 HydrophobicContact CE2-CB 4.17Å; Y134-C375 VanDerWaalsContact CE2-SG 3.52Å
135V98Very high97.5Very high2 Ų224.1 Ų24.11%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-118.3117.6173.9-1740000109.6L106 E108 M120 M133 V371 C375L106-V135 CarbonylContact O-C 3.36Å; L106-V135 VanDerWaalsContact O-CA 3.31Å; L106-V135 WeakPolarHBondContact O-CA 3.22Å; E108-V135 HydrophobicContact CB-CG1 3.88Å; E108-V135 HydrophobicContact CG-CG1 3.63Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.43Å; M120-V135 HydrophobicContact CE-CG1 3.7Å; M120-V135 HydrophobicContact CE-CG2 4.17Å; M133-V135 HydrophobicContact CE-CG2 3.48Å; M133-V135 VanDerWaalsContact CE-CG2 3.48Å; V135-V371 HydrophobicContact CB-CG2 4.38Å; V135-V371 HydrophobicContact CG2-CG2 4Å; V135-C375 HydrophobicContact CB-CB 4.38Å; V135-C375 PolarHBondContact N-SG 3.23Å; V135-C375 VanDerWaalsContact N-SG 3.38Å; V135-C375 WeakPolarHBondContact O-CB 3.23Å
136G97Very high97.3Very high4 Ų425.3 Ų25.34%0.04114%0.139CC..EExtended strand (participates in β ladder)trans-109.4139.3-18000000113.4L106 T107 E108 Q138L106-G136 PolarHBondContact O-N 3.06Å; T107-G136 CarbonylContact C-O 3.57Å; T107-G136 VanDerWaalsContact CA-O 3.25Å; T107-G136 WeakPolarHBondContact CA-O 3.42Å; E108-G136 PolarHBondContact N-O 2.87Å; G136-Q138 PolarHBondContact O-N 3.06Å
137I96.9Very high97.1Very high18 Ų1824 Ų249%0.09215%0.152CC..EExtended strand (participates in β ladder)trans-69.3124.9174.1-61.3173.2000109.2E108 P110 A139 V140 L141 A171E108-I137 HydrophobicContact CG-CG1 4.43Å; E108-I137 WeakPolarHBondContact O-CA 3.44Å; P110-I137 HydrophobicContact CB-CG2 4.19Å; I137-A139 VanDerWaalsContact C-N 3.3Å; I137-A139 HydrophobicContact CG2-CB 4.4Å; I137-A139 PolarHBondContact O-N 2.96Å; I137-V140 HydrophobicContact CB-CB 4.19Å; I137-V140 HydrophobicContact CB-CG2 3.88Å; I137-V140 HydrophobicContact CD1-CG2 4.47Å; I137-V140 HydrophobicContact CG2-CG2 4.1Å; I137-V140 WeakPolarHBondContact O-CB 3.39Å; I137-V140 PolarHBondContact O-N 3.37Å; I137-L141 PolarHBondContact O-N 2.67Å; I137-A171 HydrophobicContact CD1-CB 4.28Å
138Q97.8Very high97Very high17 Ų1723.4 Ų23.48%0.07914%0.142CC..Hα-helixtrans-50.2-48.4-175.9-72.7176.4-40.500112.7D12 T107 E108 G136 V140 L141 S142 V340D12-Q138 PolarHBondContact OD1-NE2 3.29Å; T107-Q138 PolarHBondContact OG1-NE2 3.43Å; E108-Q138 WeakPolarHBondContact O-CG 3.38Å; E108-Q138 PolarHBondContact O-N 2.84Å; G136-Q138 PolarHBondContact O-N 3.06Å; Q138-V140 PolarHBondContact O-N 2.65Å; Q138-L141 PolarHBondContact O-N 3.14Å; Q138-S142 PolarHBondContact O-N 3.15Å; Q138-S142 PolarHBondContact O-OG 3.21Å; Q138-V340 HydrophobicContact CB-CG1 3.97Å; Q138-V340 HydrophobicContact CB-CG2 3.87Å; Q138-V340 HydrophobicContact CG-CG1 3.76Å; Q138-V340 HydrophobicContact CG-CG2 4.34Å
139A97.5Very high96.8Very high1 Ų126.5 Ų26.51%0.00816%0.162CC..Hα-helixtrans-63.3-38.2178.600000113.5I137 S142 L143 V153 V164I137-A139 VanDerWaalsContact C-N 3.3Å; I137-A139 HydrophobicContact CG2-CB 4.4Å; I137-A139 PolarHBondContact O-N 2.96Å; A139-S142 PolarHBondContact O-N 3.16Å; A139-L143 PolarHBondContact O-N 2.64Å; A139-V153 HydrophobicContact CB-CB 4.02Å; A139-V153 HydrophobicContact CB-CG1 4.06Å; A139-V153 WeakPolarHBondContact O-CG2 3.48Å; A139-V164 HydrophobicContact CB-CB 3.53Å; A139-V164 HydrophobicContact CB-CG1 3.95Å; A139-V164 HydrophobicContact CB-CG2 3.47Å; A139-V164 VanDerWaalsContact CB-CG2 3.47Å
140V97.1Very high96.8Very high16 Ų1623.2 Ų23.210%0.09715%0.145CC..Hα-helixtrans-64.8-44.3177.3176.30000110.2I137 Q138 L143 Y144 I166 A171I137-V140 HydrophobicContact CB-CB 4.19Å; I137-V140 HydrophobicContact CB-CG2 3.88Å; I137-V140 HydrophobicContact CD1-CG2 4.47Å; I137-V140 HydrophobicContact CG2-CG2 4.1Å; I137-V140 WeakPolarHBondContact O-CB 3.39Å; I137-V140 PolarHBondContact O-N 3.37Å; Q138-V140 PolarHBondContact O-N 2.65Å; V140-L143 WeakPolarHBondContact O-CB 3.37Å; V140-L143 PolarHBondContact O-N 2.83Å; V140-Y144 HydrophobicContact CG1-CD2 3.94Å; V140-Y144 HydrophobicContact CG1-CE2 3.66Å; V140-Y144 VanDerWaalsContact O-CD2 3.28Å; V140-Y144 WeakPolarHBondContact O-CD2 3.3Å; V140-Y144 PolarHBondContact O-N 2.94Å; V140-Y144 VanDerWaalsContact O-N 3.09Å; V140-I166 HydrophobicContact CB-CD1 4.43Å; V140-I166 HydrophobicContact CG2-CD1 4Å; V140-I166 HydrophobicContact CG2-CG1 4.11Å; V140-A171 HydrophobicContact CG2-CB 3.99Å
141L97.5Very high96.8Very high2 Ų223.2 Ų23.21%0.0115%0.145CC..Hα-helixtrans-62-44.2175.2-59.7178.1000111.4L105 T107 I137 Q138 L143 Y144 A145 V340 G343 L347L105-L141 HydrophobicContact CD2-CD1 4.01Å; T107-L141 HydrophobicContact CG2-CD1 3.59Å; I137-L141 PolarHBondContact O-N 2.67Å; Q138-L141 PolarHBondContact O-N 3.14Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 2.99Å; L141-Y144 WeakPolarHBondContact O-CB 3.48Å; L141-Y144 PolarHBondContact O-N 3.49Å; L141-Y144 VanDerWaalsContact O-N 3.09Å; L141-A145 PolarHBondContact O-N 3.36Å; L141-V340 WeakPolarHBondContact CB-O 3.37Å; L141-V340 HydrophobicContact CD1-CG1 4.45Å; L141-G343 VanDerWaalsContact O-CA 3.22Å; L141-G343 WeakPolarHBondContact O-CA 3.3Å; L141-L347 HydrophobicContact CD2-CB 4.34Å; L141-L347 HydrophobicContact CD2-CD2 3.56Å
142S97.8Very high96.8Very high0 Ų020.8 Ų20.80%013%0.129CC..Hα-helixtrans-60.2-35.1175.7-73.10000113.5Q138 A139 A145 S146 S301 S339 V340Q138-S142 PolarHBondContact O-N 3.15Å; Q138-S142 PolarHBondContact O-OG 3.21Å; A139-S142 PolarHBondContact O-N 3.16Å; S142-A145 PolarHBondContact O-N 3.24Å; S142-S146 PolarHBondContact O-N 3.17Å; S142-S301 WeakPolarHBondContact CB-OG 3.46Å; S142-S301 WeakPolarHBondContact OG-CB 3.47Å; S142-S301 PolarHBondContact OG-OG 3.26Å; S142-S339 WeakPolarHBondContact OG-CB 3.4Å; S142-V340 WeakPolarHBondContact OG-CG2 3.27Å; S142-V340 PolarHBondContact OG-N 2.8Å
143L97.3Very high96.9Very high2 Ų220.2 Ų20.21%0.0112%0.124CC..Hα-helixtrans-66-44.3173.8-169.766.6000111.1A139 V140 L141 A145 S146 R148 V153 I166 V299A139-L143 PolarHBondContact O-N 2.64Å; V140-L143 WeakPolarHBondContact O-CB 3.37Å; V140-L143 PolarHBondContact O-N 2.83Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 2.99Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.13Å; L143-S146 WeakPolarHBondContact O-CB 3.49Å; L143-S146 PolarHBondContact O-N 3.21Å; L143-S146 PolarHBondContact O-OG 3.03Å; L143-R148 CarbonylContact C-O 3.53Å; L143-R148 HydrophobicContact CD1-CB 3.74Å; L143-R148 HydrophobicContact CG-CB 3.89Å; L143-R148 PolarHBondContact O-N 3.36Å; L143-V153 HydrophobicContact CB-CG2 3.81Å; L143-V153 HydrophobicContact CD1-CG2 4.08Å; L143-V153 HydrophobicContact CG-CG2 4.46Å; L143-I166 HydrophobicContact CB-CD1 3.9Å; L143-I166 HydrophobicContact CD2-CB 3.65Å; L143-I166 HydrophobicContact CD2-CD1 3.71Å; L143-I166 HydrophobicContact CD2-CG1 4.3Å; L143-I166 HydrophobicContact CD2-CG2 3.63Å; L143-I166 HydrophobicContact CG-CD1 4.39Å; L143-V299 HydrophobicContact CD1-CB 4.42Å; L143-V299 HydrophobicContact CD1-CG2 3.68Å
144Y93.6Very high96.9Very high70 Ų7020.3 Ų20.328%0.27513%0.125SC..Hα-helixtrans-58.7-41.7175.4-83-60.8000112.6V140 L141 S146 G147 T149V140-Y144 HydrophobicContact CG1-CD2 3.94Å; V140-Y144 HydrophobicContact CG1-CE2 3.66Å; V140-Y144 VanDerWaalsContact O-CD2 3.28Å; V140-Y144 WeakPolarHBondContact O-CD2 3.3Å; V140-Y144 PolarHBondContact O-N 2.94Å; V140-Y144 VanDerWaalsContact O-N 3.09Å; L141-Y144 WeakPolarHBondContact O-CB 3.48Å; L141-Y144 PolarHBondContact O-N 3.49Å; L141-Y144 VanDerWaalsContact O-N 3.09Å; Y144-S146 PolarHBondContact O-N 3.02Å; Y144-S146 VanDerWaalsContact O-N 3.12Å; Y144-G147 WeakPolarHBondContact O-CA 3.31Å; Y144-G147 PolarHBondContact O-N 3.46Å; Y144-T149 HydrophobicContact CE1-CG2 3.99Å
145A96Very high96.9Very high24 Ų2419.7 Ų19.720%0.19812%0.123CC..Hα-helixtrans-57.8-26.9175.400000112.9L141 S142 L143 G147 S339 I342L141-A145 PolarHBondContact O-N 3.36Å; S142-A145 PolarHBondContact O-N 3.24Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.13Å; A145-G147 VanDerWaalsContact C-N 3.3Å; A145-S339 VanDerWaalsContact CB-O 3.25Å; A145-S339 WeakPolarHBondContact CB-O 3.29Å; A145-I342 HydrophobicContact CB-CB 4.12Å; A145-I342 HydrophobicContact CB-CG2 3.91Å
146S94.6Very high97Very high24 Ų2419.7 Ų19.717%0.16812%0.123CC..THydrogen-bonded Turntrans-84.7-0.4176.486.70000113.9S142 L143 Y144 R148S142-S146 PolarHBondContact O-N 3.17Å; L143-S146 WeakPolarHBondContact O-CB 3.49Å; L143-S146 PolarHBondContact O-N 3.21Å; L143-S146 PolarHBondContact O-OG 3.03Å; Y144-S146 PolarHBondContact O-N 3.02Å; Y144-S146 VanDerWaalsContact O-N 3.12Å; S146-R148 VanDerWaalsContact CB-NH1 3.3Å; S146-R148 PolarHBondContact O-NH1 3.21Å; S146-R148 WeakPolarHBondContact OG-CD 3.45Å; S146-R148 PolarHBondContact OG-NH1 2.84Å; S146-R148 VanDerWaalsContact OG-NH1 3.08Å
147G93.8Very high97Very high72 Ų7220.7 Ų20.774%0.74213%0.134SC*.THydrogen-bonded Turntrans73.531.5-175.900000113.7Y144 A145Y144-G147 WeakPolarHBondContact O-CA 3.31Å; Y144-G147 PolarHBondContact O-N 3.46Å; A145-G147 VanDerWaalsContact C-N 3.3Å
148R95.2Very high97Very high56 Ų5621.7 Ų21.721%0.21114%0.139CC..  trans-126.4149.8-176.9-67.4174.6-179.965.617.1111.2L143 S146 N297L143-R148 CarbonylContact C-O 3.53Å; L143-R148 HydrophobicContact CD1-CB 3.74Å; L143-R148 HydrophobicContact CG-CB 3.89Å; L143-R148 PolarHBondContact O-N 3.36Å; S146-R148 VanDerWaalsContact CB-NH1 3.3Å; S146-R148 PolarHBondContact O-NH1 3.21Å; S146-R148 WeakPolarHBondContact OG-CD 3.45Å; S146-R148 PolarHBondContact OG-NH1 2.84Å; S146-R148 VanDerWaalsContact OG-NH1 3.08Å; R148-N297 WeakPolarHBondContact CD-OD1 3.31Å; R148-N297 PolarHBondContact NE-OD1 2.8Å
149T94.6Very high96.9Very high72 Ų7221 Ų2144%0.44214%0.137SC..SBendtrans-113.8-16.517153.70000112.6Y144 I166 E168 G169Y144-T149 HydrophobicContact CE1-CG2 3.99Å; T149-I166 WeakPolarHBondContact O-CG2 3.26Å; T149-E168 PolarHBondContact O-N 2.85Å; T149-G169 PolarHBondContact O-N 2.95Å
150T97.8Very high96.8Very high22 Ų2221.4 Ų21.414%0.13514%0.139CC..SBendtrans-126.5133.1176.4-61.50000109.9I166 Y167 E168 D293T150-I166 WeakPolarHBondContact CA-O 3.5Å; T150-Y167 HydrophobicContact CG2-CD2 3.7Å; T150-Y167 HydrophobicContact CG2-CE2 4.26Å; T150-E168 PolarHBondContact OG1-N 2.83Å; T150-D293 HydrophobicContact CG2-CB 3.87Å
151G98.4Very high96.9Very high0 Ų020.8 Ų20.80%014%0.135CC..EExtended strand (participates in β ladder)trans161-179.3-178.600000111.6I166 L294 N297G151-I166 PolarHBondContact N-O 3.05Å; G151-I166 PolarHBondContact O-N 3.03Å; G151-L294 VanDerWaalsContact C-CD2 3.47Å; G151-L294 VanDerWaalsContact O-CD2 3.29Å; G151-L294 WeakPolarHBondContact O-CD2 3.48Å; G151-N297 WeakPolarHBondContact CA-O 3.41Å
152I98.8Very high96.9Very high0 Ų020.8 Ų20.80%014%0.135CC..EExtended strand (participates in β ladder)trans-118135.3171.2-174.2167.8000109.2V164 P165 T279 S282 I283 N297 T298 V299I152-V164 WeakPolarHBondContact CA-O 3.36Å; I152-P165 HydrophobicContact CD1-CB 4.29Å; I152-P165 HydrophobicContact CG1-CB 4.28Å; I152-T279 HydrophobicContact CD1-CG2 3.97Å; I152-T279 HydrophobicContact CG1-CG2 4.5Å; I152-T279 HydrophobicContact CG2-CG2 4.21Å; I152-S282 WeakPolarHBondContact CD1-OG 3.33Å; I152-I283 HydrophobicContact CD1-CD1 4.4Å; I152-I283 HydrophobicContact CD1-CG1 3.67Å; I152-I283 HydrophobicContact CG2-CD1 4.02Å; I152-I283 HydrophobicContact CG2-CG1 4.2Å; I152-N297 PolarHBondContact N-O 2.91Å; I152-T298 HydrophobicContact CG2-CG2 4.11Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.33Å; I152-T298 CarbonylContact O-C 3.58Å; I152-T298 VanDerWaalsContact O-CA 3.31Å; I152-T298 WeakPolarHBondContact O-CA 3.44Å; I152-V299 PolarHBondContact O-N 3.37Å
153V98.8Very high97Very high0 Ų020.9 Ų20.90%014%0.135CC..EExtended strand (participates in β ladder)trans-105.3125.5177.2-179.90000109.4A139 L143 D155 T163 V164 I166 V299A139-V153 HydrophobicContact CB-CB 4.02Å; A139-V153 HydrophobicContact CB-CG1 4.06Å; A139-V153 WeakPolarHBondContact O-CG2 3.48Å; L143-V153 HydrophobicContact CB-CG2 3.81Å; L143-V153 HydrophobicContact CD1-CG2 4.08Å; L143-V153 HydrophobicContact CG-CG2 4.46Å; V153-D155 HydrophobicContact CG1-CB 4.08Å; V153-T163 VanDerWaalsContact O-CA 3.32Å; V153-T163 WeakPolarHBondContact O-CA 3.37Å; V153-V164 PolarHBondContact N-O 2.78Å; V153-V164 PolarHBondContact O-N 3.18Å; V153-I166 HydrophobicContact CG2-CD1 3.94Å; V153-V299 CarbonylContact C-O 3.54Å; V153-V299 WeakPolarHBondContact CA-O 3.29Å; V153-V299 HydrophobicContact CG2-CB 4.24Å
154L98.8Very high97Very high2 Ų220.8 Ų20.81%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-91.6100.1160.317769.6000107.2T161 H162 T163 V275 V299 L300 S301 M314L154-T161 HydrophobicContact CD1-CG2 3.57Å; L154-H162 WeakPolarHBondContact CA-O 3.13Å; L154-T163 HydrophobicContact CD1-CG2 3.64Å; L154-V275 HydrophobicContact CD1-CB 4.12Å; L154-V275 HydrophobicContact CD1-CG1 4.35Å; L154-V275 HydrophobicContact CD2-CB 4.07Å; L154-V275 HydrophobicContact CD2-CG2 4.38Å; L154-V299 PolarHBondContact N-O 3.01Å; L154-L300 HydrophobicContact CB-CD2 3.98Å; L154-L300 HydrophobicContact CD2-CD2 3.93Å; L154-L300 HydrophobicContact CG-CD2 4.47Å; L154-S301 PolarHBondContact O-N 2.97Å; L154-M314 HydrophobicContact CD2-CE 3.79Å; L154-M314 HydrophobicContact CD2-SD 4.17Å
155D98.4Very high97.3Very high9 Ų917.4 Ų17.45%0.04812%0.122CC..EExtended strand (participates in β ladder)trans-100.2114.2176.9-166.921.2000109.5V153 T161 H162 S301V153-D155 HydrophobicContact CG1-CB 4.08Å; D155-T161 CarbonylContact O-C 3.5Å; D155-T161 VanDerWaalsContact O-CA 3.3Å; D155-T161 WeakPolarHBondContact O-CA 3.45Å; D155-H162 PolarHBondContact N-O 3.04Å; D155-H162 PolarHBondContact O-N 3.34Å; D155-S301 WeakPolarHBondContact CA-O 3.29Å; D155-S301 VanDerWaalsContact OD1-C 3.31Å; D155-S301 WeakPolarHBondContact OD1-CB 3.48Å; D155-S301 PolarHBondContact OD1-OG 2.97Å
156S98.6Very high97.4Very high3 Ų316.3 Ų16.32%0.02111%0.112CC..EExtended strand (participates in β ladder)trans-126.1103.8-179-169.30000110.4T161 S301 G302 G303 T304S156-T161 WeakPolarHBondContact CB-OG1 3.36Å; S156-T161 PolarHBondContact OG-OG1 2.72Å; S156-S301 PolarHBondContact N-O 2.86Å; S156-G302 CarbonylContact O-C 3.54Å; S156-G302 WeakPolarHBondContact O-CA 3.45Å; S156-G303 PolarHBondContact O-N 2.87Å; S156-T304 WeakPolarHBondContact O-CB 3.4Å; S156-T304 PolarHBondContact O-N 2.87Å; S156-T304 VanDerWaalsContact OG-CB 3.28Å; S156-T304 WeakPolarHBondContact OG-CB 3.42Å; S156-T304 VanDerWaalsContact OG-CG2 3.3Å; S156-T304 WeakPolarHBondContact OG-CG2 3.03Å
157G97.3Very high97.5Very high25 Ų2518.9 Ų18.926%0.25812%0.119SC..  trans-92.3-153.9-178.400000113.1V160 A182 G183 T304G157-V160 PolarHBondContact N-O 3.28Å; G157-V160 VanDerWaalsContact N-O 3.08Å; G157-A182 WeakPolarHBondContact O-CB 3.22Å; G157-G183 PolarHBondContact O-N 3.25Å; G157-G183 VanDerWaalsContact O-N 3.15Å; G157-T304 PolarHBondContact O-OG1 3.13Å
158D96.7Very high97.6Very high39 Ų3921.1 Ų21.121%0.20911%0.11CC..SBendtrans-78.7-38.3171.4-177.361.8000111.9A182 G183 R184D158-A182 VanDerWaalsContact O-CB 3.31Å; D158-A182 WeakPolarHBondContact O-CB 3.32Å; D158-G183 PolarHBondContact O-N 3.05Å; D158-G183 VanDerWaalsContact O-N 3.16Å; D158-R184 VanDerWaalsContact O-CB 3.26Å; D158-R184 WeakPolarHBondContact O-CB 3.43Å; D158-R184 PolarHBondContact O-N 3.33Å; D158-R184 PolarHBondContact OD1-N 2.96Å; D158-R184 IonicContact OD2-CZ 2.75Å; D158-R184 IonicContact OD2-NE 2.87Å; D158-R184 PolarHBondContact OD2-NE 3.28Å; D158-R184 IonicContact OD2-NH2 2.8Å; D158-R184 PolarHBondContact OD2-NH2 3.41Å
159G95.8Very high97.5Very high3 Ų319.1 Ų19.13%0.03111%0.107CC..SBendtrans-102.6-20.9-170.500000115.8H74 A182H74-G159 WeakPolarHBondContact CA-O 3.26Å; H74-G159 PolarHBondContact CD2-O 2.77Å; G159-A182 VanDerWaalsContact C-CB 3.46Å
160V97.2Very high97.4Very high9 Ų923.3 Ų23.36%0.05512%0.116CC..  trans-161.1154.2-173.560.20000111.3H74 G157 H162 R178H74-V160 HydrophobicContact CB-CB 4.28Å; G157-V160 PolarHBondContact N-O 3.28Å; G157-V160 VanDerWaalsContact N-O 3.08Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.31Å; V160-H162 VanDerWaalsContact CG2-CE1 3.43Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.1Å; V160-R178 HydrophobicContact CG2-CG 3.87Å
161T98.4Very high97.4Very high2 Ų223 Ų231%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-115.9134.9170.9-60.90000110.8L154 D155 S156 L179 L181 V275L154-T161 HydrophobicContact CD1-CG2 3.57Å; D155-T161 CarbonylContact O-C 3.5Å; D155-T161 VanDerWaalsContact O-CA 3.3Å; D155-T161 WeakPolarHBondContact O-CA 3.45Å; S156-T161 WeakPolarHBondContact CB-OG1 3.36Å; S156-T161 PolarHBondContact OG-OG1 2.72Å; T161-L179 PolarHBondContact N-O 3.31Å; T161-L179 PolarHBondContact O-N 3.16Å; T161-L181 WeakPolarHBondContact CB-O 3.42Å; T161-L181 PolarHBondContact OG1-O 3.05Å; T161-V275 HydrophobicContact CG2-CG1 4.04Å
162H98Very high97.3Very high3 Ų324.5 Ų24.51%0.01412%0.123CC..EExtended strand (participates in β ladder)trans-127.6146.7176.3-59.5104.6000111.3P110 L154 D155 V160 V164 L177P110-H162 HydrophobicContact CG-CB 3.82Å; P110-H162 VanDerWaalsContact CG-CG 3.47Å; L154-H162 WeakPolarHBondContact CA-O 3.13Å; D155-H162 PolarHBondContact N-O 3.04Å; D155-H162 PolarHBondContact O-N 3.34Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.31Å; V160-H162 VanDerWaalsContact CG2-CE1 3.43Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.1Å; H162-V164 HydrophobicContact CB-CG2 4.04Å; H162-L177 WeakPolarHBondContact CA-O 3.24Å
163T98.6Very high97.2Very high1 Ų128.7 Ų28.71%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-113.3119.9164.156.50000107.9V153 L154 I176 L177 T278 T279 S282V153-T163 VanDerWaalsContact O-CA 3.32Å; V153-T163 WeakPolarHBondContact O-CA 3.37Å; L154-T163 HydrophobicContact CD1-CG2 3.64Å; T163-I176 WeakPolarHBondContact O-CA 3.45Å; T163-L177 PolarHBondContact N-O 2.98Å; T163-L177 PolarHBondContact O-N 2.94Å; T163-L177 VanDerWaalsContact O-N 3.1Å; T163-L177 WeakPolarHBondContact OG1-CB 3.36Å; T163-L177 PolarHBondContact OG1-O 3.45Å; T163-T278 HydrophobicContact CG2-CG2 3.9Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.43Å; T163-S282 WeakPolarHBondContact OG1-CB 3.25Å
164V98.6Very high97.1Very high0 Ų034.1 Ų34.10%018%0.175CC..EExtended strand (participates in β ladder)trans-126.7102.6-172.7-173.40000108.7P110 A139 I152 V153 H162 I166 A171 I176P110-V164 HydrophobicContact CB-CG2 4.11Å; P110-V164 HydrophobicContact CG-CG2 3.79Å; A139-V164 HydrophobicContact CB-CB 3.53Å; A139-V164 HydrophobicContact CB-CG1 3.95Å; A139-V164 HydrophobicContact CB-CG2 3.47Å; A139-V164 VanDerWaalsContact CB-CG2 3.47Å; I152-V164 WeakPolarHBondContact CA-O 3.36Å; V153-V164 PolarHBondContact N-O 2.78Å; V153-V164 PolarHBondContact O-N 3.18Å; H162-V164 HydrophobicContact CB-CG2 4.04Å; V164-I166 HydrophobicContact CG1-CD1 4.31Å; V164-I166 HydrophobicContact CG1-CG1 4Å; V164-A171 HydrophobicContact CG1-CB 3.88Å; V164-I176 HydrophobicContact CG1-CD1 4.09Å; V164-I176 HydrophobicContact CG1-CG1 4.12Å; V164-I176 HydrophobicContact CG2-CG2 4.26Å
165P98.7Very high97Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-77.5134.2172.727.8-24.6000109.1I152 L172 A175 S282 C286 L294I152-P165 HydrophobicContact CD1-CB 4.29Å; I152-P165 HydrophobicContact CG1-CB 4.28Å; P165-L172 HydrophobicContact CB-CD1 4.28Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 2.9Å; P165-A175 HydrophobicContact CG-CB 3.51Å; P165-S282 VanDerWaalsContact CD-OG 3.32Å; P165-S282 WeakPolarHBondContact CD-OG 3.28Å; P165-S282 WeakPolarHBondContact CG-OG 3.29Å; P165-C286 VanDerWaalsContact CB-SG 3.59Å; P165-L294 HydrophobicContact CB-CD1 4.04Å; P165-L294 HydrophobicContact CB-CD2 4.29Å
166I98.5Very high97Very high0 Ų034.3 Ų34.30%018%0.176CC..EExtended strand (participates in β ladder)trans-131.9132.8-173.1-59.8153.2000107.4V140 L143 T149 T150 G151 V153 V164 Y170 A171V140-I166 HydrophobicContact CB-CD1 4.43Å; V140-I166 HydrophobicContact CG2-CD1 4Å; V140-I166 HydrophobicContact CG2-CG1 4.11Å; L143-I166 HydrophobicContact CB-CD1 3.9Å; L143-I166 HydrophobicContact CD2-CB 3.65Å; L143-I166 HydrophobicContact CD2-CD1 3.71Å; L143-I166 HydrophobicContact CD2-CG1 4.3Å; L143-I166 HydrophobicContact CD2-CG2 3.63Å; L143-I166 HydrophobicContact CG-CD1 4.39Å; T149-I166 WeakPolarHBondContact O-CG2 3.26Å; T150-I166 WeakPolarHBondContact CA-O 3.5Å; G151-I166 PolarHBondContact N-O 3.05Å; G151-I166 PolarHBondContact O-N 3.03Å; V153-I166 HydrophobicContact CG2-CD1 3.94Å; V164-I166 HydrophobicContact CG1-CD1 4.31Å; V164-I166 HydrophobicContact CG1-CG1 4Å; I166-Y170 CarbonylContact C-O 3.52Å; I166-Y170 VanDerWaalsContact CA-O 3.29Å; I166-Y170 WeakPolarHBondContact CA-O 3.28Å; I166-A171 HydrophobicContact CG1-CB 4.39Å
167Y97.4Very high97Very high79 Ų7935.7 Ų35.731%0.3118%0.183SC..EExtended strand (participates in β ladder)trans-129.8124178.3-176-94.7000109.1T150 G169 Y170 I290T150-Y167 HydrophobicContact CG2-CD2 3.7Å; T150-Y167 HydrophobicContact CG2-CE2 4.26Å; Y167-G169 PolarHBondContact O-N 3.32Å; Y167-G169 VanDerWaalsContact O-N 3.12Å; Y167-Y170 PolarHBondContact N-O 3.36Å; Y167-Y170 PolarHBondContact O-N 3.42Å; Y167-I290 HydrophobicContact CD2-CB 3.99Å; Y167-I290 HydrophobicContact CD2-CD1 4.32Å; Y167-I290 HydrophobicContact CD2-CG2 3.58Å; Y167-I290 HydrophobicContact CE2-CB 4.21Å; Y167-I290 HydrophobicContact CE2-CG2 3.46Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.46Å; Y167-I290 HydrophobicContact CG-CG2 4.36Å
168E94.8Very high96.9Very high119 Ų11939.3 Ų39.356%0.55619%0.189SC*.THydrogen-bonded Turntrans50.737.1-179.4-66.5179.9-172.700113.7T149 T150 Y170T149-E168 PolarHBondContact O-N 2.85Å; T150-E168 PolarHBondContact OG1-N 2.83Å; E168-Y170 VanDerWaalsContact C-N 3.35Å; E168-Y170 WeakPolarHBondContact O-CD2 3.47Å
169G92.7Very high96.9Very high13 Ų1338 Ų3813%0.13418%0.182CC..THydrogen-bonded Turntrans88.2-6.9179.300000114.9T149 Y167T149-G169 PolarHBondContact O-N 2.95Å; Y167-G169 PolarHBondContact O-N 3.32Å; Y167-G169 VanDerWaalsContact O-N 3.12Å
170Y93.8Very high96.8Very high161 Ų16141.2 Ų41.263%0.63120%0.198SC*.EExtended strand (participates in β ladder)trans-102124.9-179.9-61.7-83.7000111.4I166 Y167 E168I166-Y170 CarbonylContact C-O 3.52Å; I166-Y170 VanDerWaalsContact CA-O 3.29Å; I166-Y170 WeakPolarHBondContact CA-O 3.28Å; Y167-Y170 PolarHBondContact N-O 3.36Å; Y167-Y170 PolarHBondContact O-N 3.42Å; E168-Y170 VanDerWaalsContact C-N 3.35Å; E168-Y170 WeakPolarHBondContact O-CD2 3.47Å
171A96.7Very high96.8Very high15 Ų1540.8 Ų40.812%0.12420%0.196CC..EExtended strand (participates in β ladder)trans-65.5142.8169.800000110.1I137 V140 V164 I166 P173 I176I137-A171 HydrophobicContact CD1-CB 4.28Å; V140-A171 HydrophobicContact CG2-CB 3.99Å; V164-A171 HydrophobicContact CG1-CB 3.88Å; I166-A171 HydrophobicContact CG1-CB 4.39Å; A171-P173 WeakPolarHBondContact O-CD 3.07Å; A171-I176 HydrophobicContact CB-CD1 4.48Å
172L97.1Very high96.8Very high32 Ų3240.7 Ų40.717%0.16820%0.195CC..  trans-9895.3179.2-56.2176.7000110.1P165 H174 A175 I176 C286 I290P165-L172 HydrophobicContact CB-CD1 4.28Å; P165-L172 HydrophobicContact CG-CB 4.2Å; P165-L172 PolarHBondContact O-N 2.9Å; L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.48Å; L172-H174 VanDerWaalsContact O-N 3.16Å; L172-A175 HydrophobicContact CB-CB 4.45Å; L172-A175 PolarHBondContact O-N 2.8Å; L172-I176 PolarHBondContact O-N 3.45Å; L172-C286 HydrophobicContact CD1-CB 4.48Å; L172-I290 HydrophobicContact CD1-CD1 3.49Å; L172-I290 VanDerWaalsContact CD1-CD1 3.49Å
173P96Very high96.8Very high88 Ų8840.6 Ų40.657%0.57120%0.195SC*.G310 helixtrans-64.9-32-163-23.637000113.9A171 A175 I176A171-P173 WeakPolarHBondContact O-CD 3.07Å; P173-A175 PolarHBondContact O-N 2.85Å; P173-I176 PolarHBondContact O-N 3.45Å
174H96.5Very high96.7Very high113 Ų11342.7 Ų42.752%0.52320%0.203SC..G310 helixtrans-67-19.8178.965.1-87000113.5L172L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.48Å; L172-H174 VanDerWaalsContact O-N 3.16Å
175A98.1Very high96.7Very high0 Ų044.7 Ų44.70%021%0.213CC..G310 helixtrans-110.32.7-177.200000113.1P165 L172 P173 L177 S282 K285 C286P165-A175 HydrophobicContact CG-CB 3.51Å; L172-A175 HydrophobicContact CB-CB 4.45Å; L172-A175 PolarHBondContact O-N 2.8Å; P173-A175 PolarHBondContact O-N 2.85Å; A175-L177 PolarHBondContact O-N 2.95Å; A175-S282 WeakPolarHBondContact O-CB 3.41Å; A175-S282 PolarHBondContact O-OG 3.45Å; A175-K285 HydrophobicContact CB-CB 3.71Å; A175-C286 VanDerWaalsContact CB-SG 3.55Å
176I98.4Very high96.7Very high15 Ų1544.7 Ų44.78%0.07721%0.213CC..  trans-70.5127.3171.7-61.3178.2000109.1P110 L111 T163 V164 A171 L172 P173P110-I176 HydrophobicContact CB-CD1 3.9Å; P110-I176 HydrophobicContact CB-CG2 4.03Å; P110-I176 HydrophobicContact CG-CG2 4.19Å; L111-I176 HydrophobicContact CD1-CG2 4.07Å; L111-I176 HydrophobicContact CD2-CD1 4.39Å; L111-I176 HydrophobicContact CG-CG2 4.23Å; T163-I176 WeakPolarHBondContact O-CA 3.45Å; V164-I176 HydrophobicContact CG1-CD1 4.09Å; V164-I176 HydrophobicContact CG1-CG1 4.12Å; V164-I176 HydrophobicContact CG2-CG2 4.26Å; A171-I176 HydrophobicContact CB-CD1 4.48Å; L172-I176 PolarHBondContact O-N 3.45Å; P173-I176 PolarHBondContact O-N 3.45Å
177L98.1Very high96.7Very high33 Ų3344.7 Ų44.717%0.17321%0.213CC..EExtended strand (participates in β ladder)trans-116.4138.8170.6-53.2178.1000110.1H162 T163 A175 T278 N281 K285H162-L177 WeakPolarHBondContact CA-O 3.24Å; T163-L177 PolarHBondContact N-O 2.98Å; T163-L177 PolarHBondContact O-N 2.94Å; T163-L177 VanDerWaalsContact O-N 3.1Å; T163-L177 WeakPolarHBondContact OG1-CB 3.36Å; T163-L177 PolarHBondContact OG1-O 3.45Å; A175-L177 PolarHBondContact O-N 2.95Å; L177-T278 HydrophobicContact CB-CG2 3.71Å; L177-T278 HydrophobicContact CD1-CG2 3.98Å; L177-T278 WeakPolarHBondContact CD1-O 3.45Å; L177-N281 HydrophobicContact CD1-CB 3.75Å; L177-K285 HydrophobicContact CD2-CD 4.08Å; L177-K285 VanDerWaalsContact CD2-NZ 3.34Å
178R95.7Very high96.7Very high101 Ų10144.1 Ų44.138%0.38122%0.216SC..EExtended strand (participates in β ladder)trans-112.9138.8178.2174.7173.4163.2170.4-6109.4V160 D180V160-R178 HydrophobicContact CG2-CG 3.87Å; R178-D180 IonicContact CZ-OD1 3.26Å; R178-D180 IonicContact NE-OD1 2.89Å; R178-D180 PolarHBondContact NE-OD1 3.33Å; R178-D180 IonicContact NE-OD2 3.8Å; R178-D180 IonicContact NH2-OD1 3.77Å; R178-D180 PolarHBondContact NH2-OD1 3.49Å; R178-D180 IonicContact NH2-OD2 3.35Å; R178-D180 PolarHBondContact NH2-OD2 3.2Å
179L95.6Very high96.9Very high11 Ų1139.1 Ų39.16%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-128.9116.2173.3178.969.7000107.8T161 L181 M270 S272 V275T161-L179 PolarHBondContact N-O 3.31Å; T161-L179 PolarHBondContact O-N 3.16Å; L179-L181 HydrophobicContact CD1-CB 4.28Å; L179-L181 HydrophobicContact CD2-CB 3.85Å; L179-L181 HydrophobicContact CD2-CD2 4.14Å; L179-L181 HydrophobicContact CD2-CG 4.44Å; L179-L181 HydrophobicContact CG-CB 3.7Å; L179-L181 PolarHBondContact O-N 3.33Å; L179-M270 HydrophobicContact CD1-CE 4.38Å; L179-S272 WeakPolarHBondContact CD1-OG 3.32Å; L179-V275 HydrophobicContact CD2-CG1 4.15Å
180D94.3Very high97.1Very high70 Ų7038.5 Ų38.537%0.37419%0.186SC..SBendtrans-77.256.3174.3-69.9-22.1000110.3R178 M270R178-D180 IonicContact CZ-OD1 3.26Å; R178-D180 IonicContact NE-OD1 2.89Å; R178-D180 PolarHBondContact NE-OD1 3.33Å; R178-D180 IonicContact NE-OD2 3.8Å; R178-D180 IonicContact NH2-OD1 3.77Å; R178-D180 PolarHBondContact NH2-OD1 3.49Å; R178-D180 IonicContact NH2-OD2 3.35Å; R178-D180 PolarHBondContact NH2-OD2 3.2Å; D180-M270 WeakPolarHBondContact O-CE 3.37Å
181L97.4Very high97.3Very high0 Ų032.1 Ų32.10%016%0.162CC..  trans-140.8121175.1173.157.4000108.1T161 L179 D185 L186 A261 L262 P265 L268 M270T161-L181 WeakPolarHBondContact CB-O 3.42Å; T161-L181 PolarHBondContact OG1-O 3.05Å; L179-L181 HydrophobicContact CD1-CB 4.28Å; L179-L181 HydrophobicContact CD2-CB 3.85Å; L179-L181 HydrophobicContact CD2-CD2 4.14Å; L179-L181 HydrophobicContact CD2-CG 4.44Å; L179-L181 HydrophobicContact CG-CB 3.7Å; L179-L181 PolarHBondContact O-N 3.33Å; L181-D185 WeakPolarHBondContact CA-OD2 3.15Å; L181-D185 HydrophobicContact CD1-CB 3.72Å; L181-L186 HydrophobicContact CD1-CD2 4.4Å; L181-A261 VanDerWaalsContact CD2-O 3.23Å; L181-A261 WeakPolarHBondContact CD2-O 3.43Å; L181-L262 HydrophobicContact CD2-CD2 4.39Å; L181-L262 HydrophobicContact CG-CD2 4.22Å; L181-P265 HydrophobicContact CD2-CB 4.1Å; L181-P265 HydrophobicContact CD2-CG 3.99Å; L181-L268 HydrophobicContact CD1-CD1 3.24Å; L181-L268 HydrophobicContact CD2-CD1 4.44Å; L181-L268 HydrophobicContact CG-CD1 4.46Å; L181-M270 HydrophobicContact CB-CE 4.08Å; L181-M270 HydrophobicContact CB-SD 4.08Å; L181-M270 HydrophobicContact CD1-SD 4.24Å; L181-M270 HydrophobicContact CD2-SD 4.37Å; L181-M270 HydrophobicContact CG-SD 4.46Å
182A98Very high97.4Very high0 Ų037.4 Ų37.40%018%0.182CC..SBendtrans-158.5-162.7-177.200000112.4G157 D158 G159 R184 D185 L186G157-A182 WeakPolarHBondContact O-CB 3.22Å; D158-A182 VanDerWaalsContact O-CB 3.31Å; D158-A182 WeakPolarHBondContact O-CB 3.32Å; G159-A182 VanDerWaalsContact C-CB 3.46Å; A182-R184 PolarHBondContact O-N 2.91Å; A182-D185 PolarHBondContact N-OD2 3.02Å; A182-D185 PolarHBondContact O-N 2.9Å; A182-L186 WeakPolarHBondContact O-CG 3.39Å; A182-L186 PolarHBondContact O-N 3.3Å; A182-L186 VanDerWaalsContact O-N 3.11Å
183G98.1Very high97.4Very high1 Ų135.9 Ų35.91%0.0117%0.174CC..Hα-helixtrans-53-39.8-174.600000113.7G157 D158 L186 T187 K214 T304G157-G183 PolarHBondContact O-N 3.25Å; G157-G183 VanDerWaalsContact O-N 3.15Å; D158-G183 PolarHBondContact O-N 3.05Å; D158-G183 VanDerWaalsContact O-N 3.16Å; G183-L186 PolarHBondContact O-N 2.64Å; G183-T187 PolarHBondContact O-N 3.1Å; G183-T187 PolarHBondContact O-OG1 3.14Å; G183-K214 PolarHBondContact O-NZ 2.72Å; G183-T304 VanDerWaalsContact CA-OG1 3.3Å; G183-T304 WeakPolarHBondContact CA-OG1 3.37Å; G183-T304 PolarHBondContact N-OG1 3.37Å; G183-T304 VanDerWaalsContact N-OG1 3.14Å
184R96.9Very high97.5Very high46 Ų4631.7 Ų31.717%0.17415%0.147CC..Hα-helixtrans-63-49-178-168.3171.2-65.2179.53.4111.4S15 D158 A182 L186 T187 D188 R207S15-R184 PolarHBondContact O-NH2 3.36Å; S15-R184 VanDerWaalsContact O-NH2 3.14Å; D158-R184 VanDerWaalsContact O-CB 3.26Å; D158-R184 WeakPolarHBondContact O-CB 3.43Å; D158-R184 PolarHBondContact O-N 3.33Å; D158-R184 PolarHBondContact OD1-N 2.96Å; D158-R184 IonicContact OD2-CZ 2.75Å; D158-R184 IonicContact OD2-NE 2.87Å; D158-R184 PolarHBondContact OD2-NE 3.28Å; D158-R184 IonicContact OD2-NH2 2.8Å; D158-R184 PolarHBondContact OD2-NH2 3.41Å; A182-R184 PolarHBondContact O-N 2.91Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 2.93Å; R184-T187 WeakPolarHBondContact O-CB 3.36Å; R184-T187 PolarHBondContact O-N 2.86Å; R184-T187 VanDerWaalsContact O-N 3.13Å; R184-D188 PolarHBondContact O-N 2.9Å; R184-D188 VanDerWaalsContact O-N 3.12Å; R184-R207 PolarHBondContact O-NH2 2.95Å
185D97.9Very high97.5Very high41 Ų4129.5 Ų29.522%0.21914%0.141CC..Hα-helixtrans-64.4-38.2179.3-45.8-71.4000111.2L181 A182 T187 D188 Y189 L268L181-D185 WeakPolarHBondContact CA-OD2 3.15Å; L181-D185 HydrophobicContact CD1-CB 3.72Å; A182-D185 PolarHBondContact N-OD2 3.02Å; A182-D185 PolarHBondContact O-N 2.9Å; D185-T187 VanDerWaalsContact C-N 3.32Å; D185-T187 PolarHBondContact O-N 3Å; D185-D188 PolarHBondContact O-N 2.72Å; D185-Y189 WeakPolarHBondContact O-CB 3.32Å; D185-Y189 PolarHBondContact O-N 3.27Å; D185-L268 HydrophobicContact CB-CD1 4.4Å
186L98.6Very high97.4Very high0 Ų034.8 Ų34.80%017%0.166CC..Hα-helixtrans-65.5-34.8175-64.3-177.1000112.5L181 A182 G183 R184 L190 K214 C258 A261 L262 T304 F307L181-L186 HydrophobicContact CD1-CD2 4.4Å; A182-L186 WeakPolarHBondContact O-CG 3.39Å; A182-L186 PolarHBondContact O-N 3.3Å; A182-L186 VanDerWaalsContact O-N 3.11Å; G183-L186 PolarHBondContact O-N 2.64Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 2.93Å; L186-L190 VanDerWaalsContact O-CB 3.32Å; L186-L190 WeakPolarHBondContact O-CB 3.39Å; L186-L190 PolarHBondContact O-N 3.41Å; L186-K214 HydrophobicContact CB-CD 3.89Å; L186-C258 WeakPolarHBondContact CD2-O 3.28Å; L186-C258 PolarHBondContact O-SG 3.21Å; L186-A261 HydrophobicContact CD2-CB 3.84Å; L186-L262 HydrophobicContact CD1-CD1 4.02Å; L186-L262 HydrophobicContact CD1-CD2 4.04Å; L186-L262 HydrophobicContact CD1-CG 3.91Å; L186-L262 HydrophobicContact CD2-CG 4.39Å; L186-T304 HydrophobicContact CD1-CG2 3.86Å; L186-F307 HydrophobicContact CD1-CE2 3.65Å; L186-F307 HydrophobicContact CD1-CZ 4.08Å
187T98.3Very high97.1Very high0 Ų037.9 Ų37.90%018%0.177CC..Hα-helixtrans-63.8-45.2172.4-62.10000110.4G183 R184 D185 Y189 L190 M191 R207 V210 R211 K214G183-T187 PolarHBondContact O-N 3.1Å; G183-T187 PolarHBondContact O-OG1 3.14Å; R184-T187 WeakPolarHBondContact O-CB 3.36Å; R184-T187 PolarHBondContact O-N 2.86Å; R184-T187 VanDerWaalsContact O-N 3.13Å; D185-T187 VanDerWaalsContact C-N 3.32Å; D185-T187 PolarHBondContact O-N 3Å; T187-Y189 VanDerWaalsContact C-N 3.34Å; T187-L190 PolarHBondContact O-N 2.87Å; T187-M191 WeakPolarHBondContact O-CG 3.3Å; T187-M191 PolarHBondContact O-N 2.97Å; T187-R207 HydrophobicContact CG2-CG 3.92Å; T187-V210 HydrophobicContact CG2-CB 4.36Å; T187-V210 HydrophobicContact CG2-CG1 4.26Å; T187-R211 HydrophobicContact CG2-CB 4.03Å; T187-K214 PolarHBondContact OG1-NZ 3.16Å
188D97.5Very high97Very high68 Ų6839.2 Ų39.236%0.36420%0.199SC..Hα-helixtrans-68-36.5-179.6-62.8-33000111.5R184 D185 M191 K192 R207R184-D188 PolarHBondContact O-N 2.9Å; R184-D188 VanDerWaalsContact O-N 3.12Å; D185-D188 PolarHBondContact O-N 2.72Å; D188-M191 WeakPolarHBondContact O-CB 3.28Å; D188-M191 PolarHBondContact O-N 3.46Å; D188-K192 PolarHBondContact O-N 3.02Å; D188-K192 VanDerWaalsContact O-N 3.17Å; D188-R207 IonicContact OD1-CZ 3.19Å; D188-R207 VanDerWaalsContact OD1-CZ 3.24Å; D188-R207 IonicContact OD1-NE 2.77Å; D188-R207 PolarHBondContact OD1-NE 2.81Å; D188-R207 IonicContact OD1-NH2 3.28Å; D188-R207 PolarHBondContact OD1-NH2 2.64Å; D188-R207 IonicContact OD2-CZ 3.59Å; D188-R207 IonicContact OD2-NE 2.87Å; D188-R207 IonicContact OD2-NH2 3.47Å; D188-R207 PolarHBondContact OD2-NH2 3.08Å
189Y98.3Very high97Very high14 Ų1437.4 Ų37.46%0.05519%0.192CC..Hα-helixtrans-63.1-44.5171.6-175-143.1000112D185 T187 M191 K192 I193 R257 A261 F267 L268D185-Y189 WeakPolarHBondContact O-CB 3.32Å; D185-Y189 PolarHBondContact O-N 3.27Å; T187-Y189 VanDerWaalsContact C-N 3.34Å; Y189-M191 VanDerWaalsContact C-N 3.29Å; Y189-M191 PolarHBondContact O-N 2.74Å; Y189-K192 WeakPolarHBondContact O-CB 3.37Å; Y189-K192 PolarHBondContact O-N 3.28Å; Y189-K192 VanDerWaalsContact O-N 3.09Å; Y189-I193 HydrophobicContact CD2-CG2 3.98Å; Y189-I193 HydrophobicContact CE1-CD1 4.38Å; Y189-I193 HydrophobicContact CE2-CG2 3.38Å; Y189-I193 PolarHBondContact O-N 2.87Å; Y189-R257 WeakPolarHBondContact CE1-O 3.29Å; Y189-A261 HydrophobicContact CD1-CB 3.93Å; Y189-A261 HydrophobicContact CE1-CB 3.99Å; Y189-F267 HydrophobicContact CE1-CB 4.32Å; Y189-F267 HydrophobicContact CE1-CD2 4.49Å; Y189-L268 HydrophobicContact CD1-CD2 4.4Å; Y189-L268 HydrophobicContact CD2-CD2 3.86Å; Y189-L268 HydrophobicContact CG-CD2 3.68Å; Y189-L268 HydrophobicContact CG-CG 4.35Å
190L98.6Very high97Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-61.5-39.9177.7-174.859.3000111L186 T187 K192 I193 L194 V210 I213 K214 E254 C258L186-L190 VanDerWaalsContact O-CB 3.32Å; L186-L190 WeakPolarHBondContact O-CB 3.39Å; L186-L190 PolarHBondContact O-N 3.41Å; T187-L190 PolarHBondContact O-N 2.87Å; L190-K192 VanDerWaalsContact C-N 3.28Å; L190-K192 PolarHBondContact O-N 3.4Å; L190-I193 HydrophobicContact CD1-CD1 3.99Å; L190-I193 HydrophobicContact CD1-CG1 4Å; L190-I193 PolarHBondContact O-N 3.19Å; L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CD2 4.44Å; L190-L194 HydrophobicContact CD1-CG 3.97Å; L190-L194 HydrophobicContact CD2-CD1 4.44Å; L190-L194 HydrophobicContact CG-CD1 3.8Å; L190-L194 HydrophobicContact CG-CG 4.12Å; L190-L194 VanDerWaalsContact O-CB 3.28Å; L190-L194 WeakPolarHBondContact O-CB 3.45Å; L190-L194 WeakPolarHBondContact O-CG 3.42Å; L190-L194 PolarHBondContact O-N 3.35Å; L190-V210 HydrophobicContact CB-CG1 3.73Å; L190-V210 HydrophobicContact CD2-CG1 3.7Å; L190-V210 HydrophobicContact CG-CG1 3.62Å; L190-I213 HydrophobicContact CD2-CB 4.45Å; L190-I213 HydrophobicContact CD2-CG2 4.07Å; L190-K214 HydrophobicContact CD2-CB 3.64Å; L190-K214 HydrophobicContact CD2-CG 4.34Å; L190-E254 HydrophobicContact CD1-CB 3.9Å; L190-C258 HydrophobicContact CB-CB 4.34Å; L190-C258 HydrophobicContact CD1-CB 4.01Å
191M98.1Very high97Very high27 Ų2738 Ų3813%0.13320%0.2CC..Hα-helixtrans-56.8-43.8173.5-69.6175.167.900111.4T187 D188 Y189 T195 F201 R207 V210T187-M191 WeakPolarHBondContact O-CG 3.3Å; T187-M191 PolarHBondContact O-N 2.97Å; D188-M191 WeakPolarHBondContact O-CB 3.28Å; D188-M191 PolarHBondContact O-N 3.46Å; Y189-M191 VanDerWaalsContact C-N 3.29Å; Y189-M191 PolarHBondContact O-N 2.74Å; M191-T195 PolarHBondContact O-N 3.16Å; M191-T195 PolarHBondContact O-OG1 3.14Å; M191-F201 HydrophobicContact CE-CB 4.15Å; M191-F201 WeakPolarHBondContact CE-O 3.29Å; M191-R207 HydrophobicContact CE-CB 4.32Å; M191-R207 HydrophobicContact SD-CB 3.88Å; M191-R207 HydrophobicContact SD-CG 3.67Å; M191-V210 HydrophobicContact CG-CB 3.8Å; M191-V210 HydrophobicContact CG-CG1 3.67Å; M191-V210 HydrophobicContact CG-CG2 3.77Å
192K97.5Very high96.8Very high125 Ų12543.2 Ų43.254%0.54323%0.232SC..Hα-helixtrans-62.5-51.7178.4-178.6-175.9173.3-173.20111.9D188 Y189 L190 L194 T195 E196D188-K192 PolarHBondContact O-N 3.02Å; D188-K192 VanDerWaalsContact O-N 3.17Å; Y189-K192 WeakPolarHBondContact O-CB 3.37Å; Y189-K192 PolarHBondContact O-N 3.28Å; Y189-K192 VanDerWaalsContact O-N 3.09Å; L190-K192 VanDerWaalsContact C-N 3.28Å; L190-K192 PolarHBondContact O-N 3.4Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 3.37Å; K192-T195 WeakPolarHBondContact O-CA 3.46Å; K192-T195 VanDerWaalsContact O-CB 3.29Å; K192-T195 WeakPolarHBondContact O-CB 3.39Å; K192-T195 PolarHBondContact O-N 3.39Å; K192-T195 VanDerWaalsContact O-N 3.1Å; K192-E196 PolarHBondContact O-N 3.36Å; K192-E196 VanDerWaalsContact O-N 3.1Å
193I97.6Very high96.5Very high1 Ų146.3 Ų46.31%0.00525%0.252CS..Hα-helixtrans-74.2-23.9-177.165.4-177.7000113Y189 L190 T195 E196 R197 E254 R257 C258Y189-I193 HydrophobicContact CD2-CG2 3.98Å; Y189-I193 HydrophobicContact CE1-CD1 4.38Å; Y189-I193 HydrophobicContact CE2-CG2 3.38Å; Y189-I193 PolarHBondContact O-N 2.87Å; L190-I193 HydrophobicContact CD1-CD1 3.99Å; L190-I193 HydrophobicContact CD1-CG1 4Å; L190-I193 PolarHBondContact O-N 3.19Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-E196 WeakPolarHBondContact O-CB 3.43Å; I193-E196 PolarHBondContact O-N 2.77Å; I193-R197 PolarHBondContact O-N 3.03Å; I193-E254 HydrophobicContact CB-CG 4.23Å; I193-E254 HydrophobicContact CD1-CB 3.72Å; I193-E254 HydrophobicContact CD1-CG 4.05Å; I193-E254 HydrophobicContact CG1-CB 3.92Å; I193-E254 HydrophobicContact CG1-CG 3.83Å; I193-R257 HydrophobicContact CD1-CB 4.19Å; I193-C258 HydrophobicContact CD1-CB 4.06Å
194L98.1Very high96Very high0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-67.9-35.7167.3-72.6174.2000111.6L190 K192 E196 R197 G198 Y199 F201 V210 I213 I251 E254L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CD2 4.44Å; L190-L194 HydrophobicContact CD1-CG 3.97Å; L190-L194 HydrophobicContact CD2-CD1 4.44Å; L190-L194 HydrophobicContact CG-CD1 3.8Å; L190-L194 HydrophobicContact CG-CG 4.12Å; L190-L194 VanDerWaalsContact O-CB 3.28Å; L190-L194 WeakPolarHBondContact O-CB 3.45Å; L190-L194 WeakPolarHBondContact O-CG 3.42Å; L190-L194 PolarHBondContact O-N 3.35Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 3.37Å; L194-E196 VanDerWaalsContact C-N 3.34Å; L194-R197 WeakPolarHBondContact O-CB 3.3Å; L194-R197 PolarHBondContact O-N 3.32Å; L194-R197 VanDerWaalsContact O-N 3.16Å; L194-G198 PolarHBondContact O-N 3.45Å; L194-Y199 CarbonylContact C-O 3.51Å; L194-Y199 PolarHBondContact O-N 2.97Å; L194-F201 HydrophobicContact CB-CD2 4.31Å; L194-F201 HydrophobicContact CB-CE2 4.22Å; L194-F201 HydrophobicContact CD1-CD2 4.12Å; L194-F201 HydrophobicContact CD1-CE2 3.79Å; L194-V210 HydrophobicContact CD1-CG1 3.97Å; L194-V210 HydrophobicContact CD1-CG2 4.06Å; L194-I213 HydrophobicContact CD1-CD1 4.38Å; L194-I251 HydrophobicContact CD2-CD1 3.75Å; L194-I251 HydrophobicContact CD2-CG2 4.22Å; L194-E254 HydrophobicContact CD2-CB 4.44Å; L194-E254 HydrophobicContact CD2-CG 4.34Å
195T97.3Very high95.6Very high66 Ų6650.4 Ų50.441%0.40529%0.287SS..Hα-helixtrans-65.3-38.6174.3-55.60000111.2M191 K192 I193 R197 G198 Y199M191-T195 PolarHBondContact O-N 3.16Å; M191-T195 PolarHBondContact O-OG1 3.14Å; K192-T195 WeakPolarHBondContact O-CA 3.46Å; K192-T195 VanDerWaalsContact O-CB 3.29Å; K192-T195 WeakPolarHBondContact O-CB 3.39Å; K192-T195 PolarHBondContact O-N 3.39Å; K192-T195 VanDerWaalsContact O-N 3.1Å; I193-T195 VanDerWaalsContact C-N 3.33Å; T195-R197 PolarHBondContact O-N 3.39Å; T195-G198 WeakPolarHBondContact O-CA 3.33Å; T195-G198 PolarHBondContact O-N 2.88Å; T195-Y199 WeakPolarHBondContact CA-O 3.42Å; T195-Y199 PolarHBondContact N-O 3.31Å
196E94.9Very high95.5Very high111 Ų11151.1 Ų51.152%0.51929%0.289SS..Hα-helixtrans-57.3-34.4172.8-66168.9-170.400112.2K192 I193 L194 G198 R257K192-E196 PolarHBondContact O-N 3.36Å; K192-E196 VanDerWaalsContact O-N 3.1Å; I193-E196 WeakPolarHBondContact O-CB 3.43Å; I193-E196 PolarHBondContact O-N 2.77Å; L194-E196 VanDerWaalsContact C-N 3.34Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-R257 IonicContact OE2-CZ 3.88Å; E196-R257 IonicContact OE2-NH1 3.69Å; E196-R257 IonicContact OE2-NH2 3.09Å; E196-R257 PolarHBondContact OE2-NH2 2.75Å; E196-R257 VanDerWaalsContact OE2-NH2 3.09Å
197R92.6Very high95.3Very high81 Ų8152.8 Ų52.831%0.30630%0.296SS..THydrogen-bonded Turntrans-77.3-13.7175.1-164179.2-175.7101.73113.5I193 L194 T195 Y199 E238 T250 E254I193-R197 PolarHBondContact O-N 3.03Å; L194-R197 WeakPolarHBondContact O-CB 3.3Å; L194-R197 PolarHBondContact O-N 3.32Å; L194-R197 VanDerWaalsContact O-N 3.16Å; T195-R197 PolarHBondContact O-N 3.39Å; R197-Y199 HydrophobicContact CB-CD2 4.46Å; R197-Y199 HydrophobicContact CG-CD2 4.39Å; R197-Y199 HydrophobicContact CG-CE2 4.26Å; R197-E238 IonicContact CZ-OE1 3.88Å; R197-E238 IonicContact NH2-OE1 2.77Å; R197-E238 PolarHBondContact NH2-OE1 3.3Å; R197-T250 PolarHBondContact NE-O 3Å; R197-E254 WeakPolarHBondContact CD-OE1 3.45Å; R197-E254 IonicContact CZ-OE2 2.72Å; R197-E254 IonicContact NH1-OE1 3.82Å; R197-E254 PolarHBondContact NH1-OE1 2.95Å; R197-E254 IonicContact NH1-OE2 3.02Å; R197-E254 PolarHBondContact NH1-OE2 3.12Å; R197-E254 VanDerWaalsContact NH1-OE2 3.16Å
198G95.7Very high95.1Very high61 Ų6154.2 Ų54.263%0.62930%0.302SS*.THydrogen-bonded Turntrans104.25.1-178.200000115.1L194 T195 E196L194-G198 PolarHBondContact O-N 3.45Å; T195-G198 WeakPolarHBondContact O-CA 3.33Å; T195-G198 PolarHBondContact O-N 2.88Å; E196-G198 VanDerWaalsContact C-N 3.3Å
199Y95.6Very high95.1Very high62 Ų6252.5 Ų52.524%0.24329%0.293CS..  trans-100.9100.8174-56.4-55.6000110.5L194 T195 R197 I249 T250L194-Y199 CarbonylContact C-O 3.51Å; L194-Y199 PolarHBondContact O-N 2.97Å; T195-Y199 WeakPolarHBondContact CA-O 3.42Å; T195-Y199 PolarHBondContact N-O 3.31Å; R197-Y199 HydrophobicContact CB-CD2 4.46Å; R197-Y199 HydrophobicContact CG-CD2 4.39Å; R197-Y199 HydrophobicContact CG-CE2 4.26Å; Y199-I249 HydrophobicContact CD1-CB 4.3Å; Y199-I249 HydrophobicContact CD1-CG2 3.83Å; Y199-I249 HydrophobicContact CD2-CB 4.41Å; Y199-I249 HydrophobicContact CE1-CB 3.88Å; Y199-I249 HydrophobicContact CE1-CG2 3.56Å; Y199-I249 HydrophobicContact CE2-CB 3.99Å; Y199-I249 HydrophobicContact CG-CG2 4.43Å; Y199-T250 WeakPolarHBondContact CE2-O 3.35Å; Y199-T250 PolarHBondContact OH-N 2.82Å
200S94.9Very high95.1Very high74 Ų7451.8 Ų51.852%0.51729%0.29SS..  trans-91.2120.4-178.1-178.60000111.3T202S200-T202 WeakPolarHBondContact OG-CG2 3.39Å
201F95.2Very high95Very high19 Ų1955.2 Ų55.28%0.08330%0.303CS..  trans-115.9118.3173.1-63.2-79.8000107.7M191 L194 E206 I209 V210 I213 L243 I249M191-F201 HydrophobicContact CE-CB 4.15Å; M191-F201 WeakPolarHBondContact CE-O 3.29Å; L194-F201 HydrophobicContact CB-CD2 4.31Å; L194-F201 HydrophobicContact CB-CE2 4.22Å; L194-F201 HydrophobicContact CD1-CD2 4.12Å; L194-F201 HydrophobicContact CD1-CE2 3.79Å; F201-E206 HydrophobicContact CB-CB 3.93Å; F201-E206 HydrophobicContact CD1-CB 3.83Å; F201-E206 HydrophobicContact CD1-CG 4.09Å; F201-E206 HydrophobicContact CG-CB 4.37Å; F201-I209 HydrophobicContact CE1-CG2 4.41Å; F201-V210 HydrophobicContact CB-CG2 3.84Å; F201-V210 HydrophobicContact CD1-CG2 4.01Å; F201-V210 HydrophobicContact CD2-CG2 3.51Å; F201-V210 HydrophobicContact CE1-CG2 4.45Å; F201-V210 HydrophobicContact CE2-CG2 4.02Å; F201-V210 HydrophobicContact CG-CG2 3.5Å; F201-V210 VanDerWaalsContact CG-CG2 3.5Å; F201-V210 HydrophobicContact CZ-CG2 4.44Å; F201-I213 HydrophobicContact CZ-CD1 4.45Å; F201-L243 HydrophobicContact CE1-CD2 4.05Å; F201-L243 HydrophobicContact CZ-CD2 4.17Å; F201-I249 HydrophobicContact CZ-CD1 3.93Å
202T92.8Very high95Very high110 Ų11055.5 Ų55.568%0.67531%0.305SS*.  trans-123.7-24.8-169.561.40000113.6S200 E206S200-T202 WeakPolarHBondContact OG-CG2 3.39Å; T202-E206 PolarHBondContact N-OE2 3.45Å; T202-E206 PolarHBondContact OG1-OE2 2.97Å
203T91.7Very high95.1Very high66 Ų6649.6 Ų49.641%0.40528%0.279SS..SBendtrans-90.6160.1-177.770.20000111.9A205 E206 R207T203-A205 PolarHBondContact O-N 2.81Å; T203-E206 PolarHBondContact N-OE2 3.43Å; T203-E206 PolarHBondContact O-N 2.98Å; T203-E206 WeakPolarHBondContact OG1-CB 3.35Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.41Å; T203-E206 PolarHBondContact OG1-N 3.07Å; T203-E206 VanDerWaalsContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 3.08Å; T203-E206 VanDerWaalsContact OG1-OE2 3.05Å; T203-R207 PolarHBondContact O-N 3.42Å
204T87.7Confident95.1Very high77 Ų7749.9 Ų49.947%0.47228%0.281SS..THydrogen-bonded Turntrans-68.5-17.9175.759.50000113.5R63R63-T204 WeakPolarHBondContact CD-O 3.4Å; R63-T204 PolarHBondContact NH1-O 3.41Å
205A89.6Confident95.1Very high55 Ų5555.3 Ų55.346%0.45531%0.306SS..THydrogen-bonded Turntrans-79.4-45.1172.500000110.5T203 R207 E208 I209T203-A205 PolarHBondContact O-N 2.81Å; A205-R207 PolarHBondContact O-N 3.16Å; A205-E208 WeakPolarHBondContact O-CB 3.34Å; A205-E208 PolarHBondContact O-N 2.92Å; A205-I209 PolarHBondContact O-N 2.85Å
206E94.2Very high95.2Very high57 Ų5758.6 Ų58.627%0.26632%0.315SS..Hα-helixtrans-60.4-34.4173.7-77.1167.5163.600112.5F201 T202 T203 E208 I209 V210F201-E206 HydrophobicContact CB-CB 3.93Å; F201-E206 HydrophobicContact CD1-CB 3.83Å; F201-E206 HydrophobicContact CD1-CG 4.09Å; F201-E206 HydrophobicContact CG-CB 4.37Å; T202-E206 PolarHBondContact N-OE2 3.45Å; T202-E206 PolarHBondContact OG1-OE2 2.97Å; T203-E206 PolarHBondContact N-OE2 3.43Å; T203-E206 PolarHBondContact O-N 2.98Å; T203-E206 WeakPolarHBondContact OG1-CB 3.35Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.41Å; T203-E206 PolarHBondContact OG1-N 3.07Å; T203-E206 VanDerWaalsContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 3.08Å; T203-E206 VanDerWaalsContact OG1-OE2 3.05Å; E206-E208 PolarHBondContact O-N 3.01Å; E206-I209 WeakPolarHBondContact O-CA 3.42Å; E206-I209 VanDerWaalsContact O-CB 3.29Å; E206-I209 WeakPolarHBondContact O-CB 3.35Å; E206-I209 PolarHBondContact O-N 2.78Å; E206-V210 PolarHBondContact O-N 3.07Å
207R94.8Very high95.3Very high35 Ų3554.7 Ų54.713%0.13230%0.297CS..Hα-helixtrans-55.4-34171.5-176175.7-169-72.4-7.2113.3R184 T187 D188 M191 T203 A205 V210 R211R184-R207 PolarHBondContact O-NH2 2.95Å; T187-R207 HydrophobicContact CG2-CG 3.92Å; D188-R207 IonicContact OD1-CZ 3.19Å; D188-R207 VanDerWaalsContact OD1-CZ 3.24Å; D188-R207 IonicContact OD1-NE 2.77Å; D188-R207 PolarHBondContact OD1-NE 2.81Å; D188-R207 IonicContact OD1-NH2 3.28Å; D188-R207 PolarHBondContact OD1-NH2 2.64Å; D188-R207 IonicContact OD2-CZ 3.59Å; D188-R207 IonicContact OD2-NE 2.87Å; D188-R207 IonicContact OD2-NH2 3.47Å; D188-R207 PolarHBondContact OD2-NH2 3.08Å; M191-R207 HydrophobicContact CE-CB 4.32Å; M191-R207 HydrophobicContact SD-CB 3.88Å; M191-R207 HydrophobicContact SD-CG 3.67Å; T203-R207 PolarHBondContact O-N 3.42Å; A205-R207 PolarHBondContact O-N 3.16Å; R207-V210 PolarHBondContact O-N 2.98Å; R207-R211 PolarHBondContact O-N 2.96Å
208E94.4Very high95.6Very high30 Ų3051 Ų5114%0.1428%0.283CS..Hα-helixtrans-74-31.8177.3-63.2-66.6157.900112.2Q60 R63 A205 E206 V210 R211 D212Q60-E208 VanDerWaalsContact NE2-CG 3.3Å; R63-E208 IonicContact CZ-OE1 3.22Å; R63-E208 VanDerWaalsContact CZ-OE1 3.28Å; R63-E208 IonicContact NH1-OE1 3.66Å; R63-E208 PolarHBondContact NH1-OE1 3.23Å; R63-E208 IonicContact NH2-OE1 2.93Å; R63-E208 PolarHBondContact NH2-OE1 3.17Å; A205-E208 WeakPolarHBondContact O-CB 3.34Å; A205-E208 PolarHBondContact O-N 2.92Å; E206-E208 PolarHBondContact O-N 3.01Å; E208-V210 VanDerWaalsContact C-N 3.31Å; E208-R211 PolarHBondContact O-N 2.81Å; E208-R211 IonicContact OE2-CZ 3.42Å; E208-R211 IonicContact OE2-NE 3.97Å; E208-R211 PolarHBondContact OE2-NE 2.81Å; E208-R211 IonicContact OE2-NH2 3.16Å; E208-D212 PolarHBondContact O-N 3.27Å
209I96.7Very high95.8Very high31 Ų3149.7 Ų49.716%0.15926%0.26CS..Hα-helixtrans-62.1-45.7169.9-55.3173.7000108.9F201 A205 E206 R211 D212 I213 Y241 L243 P244F201-I209 HydrophobicContact CE1-CG2 4.41Å; A205-I209 PolarHBondContact O-N 2.85Å; E206-I209 WeakPolarHBondContact O-CA 3.42Å; E206-I209 VanDerWaalsContact O-CB 3.29Å; E206-I209 WeakPolarHBondContact O-CB 3.35Å; E206-I209 PolarHBondContact O-N 2.78Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 2.87Å; I209-D212 PolarHBondContact O-N 3.48Å; I209-D212 VanDerWaalsContact O-N 3.13Å; I209-I213 HydrophobicContact CG2-CD1 4.1Å; I209-I213 HydrophobicContact CG2-CG1 4.5Å; I209-I213 WeakPolarHBondContact O-CG1 3.31Å; I209-I213 PolarHBondContact O-N 2.77Å; I209-Y241 HydrophobicContact CG2-CE1 3.79Å; I209-L243 HydrophobicContact CG2-CD2 3.68Å; I209-P244 HydrophobicContact CD1-CG 3.84Å; I209-P244 HydrophobicContact CG1-CG 4.18Å
210V98.3Very high95.9Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-65.2-36.7178.1-178.70000112.2T187 L190 M191 L194 F201 E206 R207 E208 D212 I213 K214T187-V210 HydrophobicContact CG2-CB 4.36Å; T187-V210 HydrophobicContact CG2-CG1 4.26Å; L190-V210 HydrophobicContact CB-CG1 3.73Å; L190-V210 HydrophobicContact CD2-CG1 3.7Å; L190-V210 HydrophobicContact CG-CG1 3.62Å; M191-V210 HydrophobicContact CG-CB 3.8Å; M191-V210 HydrophobicContact CG-CG1 3.67Å; M191-V210 HydrophobicContact CG-CG2 3.77Å; L194-V210 HydrophobicContact CD1-CG1 3.97Å; L194-V210 HydrophobicContact CD1-CG2 4.06Å; F201-V210 HydrophobicContact CB-CG2 3.84Å; F201-V210 HydrophobicContact CD1-CG2 4.01Å; F201-V210 HydrophobicContact CD2-CG2 3.51Å; F201-V210 HydrophobicContact CE1-CG2 4.45Å; F201-V210 HydrophobicContact CE2-CG2 4.02Å; F201-V210 HydrophobicContact CG-CG2 3.5Å; F201-V210 VanDerWaalsContact CG-CG2 3.5Å; F201-V210 HydrophobicContact CZ-CG2 4.44Å; E206-V210 PolarHBondContact O-N 3.07Å; R207-V210 PolarHBondContact O-N 2.98Å; E208-V210 VanDerWaalsContact C-N 3.31Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 3.42Å; V210-I213 PolarHBondContact O-N 3.13Å; V210-K214 WeakPolarHBondContact O-CB 3.39Å; V210-K214 PolarHBondContact O-N 2.94Å
211R97.7Very high96.1Very high71 Ų7143.4 Ų43.427%0.26823%0.225SC..Hα-helixtrans-59.9-44.1171-173.4-170.262.271.85.7111.5T187 R207 E208 I209 K214 E215T187-R211 HydrophobicContact CG2-CB 4.03Å; R207-R211 PolarHBondContact O-N 2.96Å; E208-R211 PolarHBondContact O-N 2.81Å; E208-R211 IonicContact OE2-CZ 3.42Å; E208-R211 IonicContact OE2-NE 3.97Å; E208-R211 PolarHBondContact OE2-NE 2.81Å; E208-R211 IonicContact OE2-NH2 3.16Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 2.87Å; R211-K214 WeakPolarHBondContact O-CB 3.5Å; R211-K214 PolarHBondContact O-N 2.88Å; R211-E215 WeakPolarHBondContact CG-OE1 3.33Å; R211-E215 IonicContact CZ-OE1 3.04Å; R211-E215 IonicContact NH1-OE1 3.36Å; R211-E215 PolarHBondContact NH1-OE1 2.9Å; R211-E215 IonicContact NH1-OE2 2.63Å; R211-E215 PolarHBondContact NH1-OE2 3.33Å; R211-E215 PolarHBondContact O-N 2.97Å
212D98Very high96.3Very high34 Ų3446.9 Ų46.918%0.18224%0.244CC..Hα-helixtrans-66.8-41178.2-175.174.8000112.2E208 I209 V210 K214 E215 K216 Y241E208-D212 PolarHBondContact O-N 3.27Å; I209-D212 PolarHBondContact O-N 3.48Å; I209-D212 VanDerWaalsContact O-N 3.13Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 3.42Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 2.73Å; D212-E215 PolarHBondContact O-N 3.31Å; D212-K216 VanDerWaalsContact CG-NZ 3.27Å; D212-K216 WeakPolarHBondContact O-CB 3.47Å; D212-K216 WeakPolarHBondContact O-CG 3.16Å; D212-K216 PolarHBondContact O-N 3.47Å; D212-K216 WeakPolarHBondContact OD1-CE 3.29Å; D212-K216 IonicContact OD1-NZ 2.78Å; D212-K216 PolarHBondContact OD1-NZ 3.14Å; D212-K216 WeakPolarHBondContact OD2-CD 3.45Å; D212-K216 VanDerWaalsContact OD2-CE 3.31Å; D212-K216 WeakPolarHBondContact OD2-CE 3.32Å; D212-K216 IonicContact OD2-NZ 3.54Å; D212-K216 PolarHBondContact OD2-NZ 2.84Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.28Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.44Å; D212-Y241 VanDerWaalsContact OD2-CZ 3.31Å; D212-Y241 PolarHBondContact OD2-OH 3Å
213I98.6Very high96.5Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-56.4-47.2171-68.6167.4000110.1L190 L194 F201 I209 V210 K216 L217 Y241 I249 I251L190-I213 HydrophobicContact CD2-CB 4.45Å; L190-I213 HydrophobicContact CD2-CG2 4.07Å; L194-I213 HydrophobicContact CD1-CD1 4.38Å; F201-I213 HydrophobicContact CZ-CD1 4.45Å; I209-I213 HydrophobicContact CG2-CD1 4.1Å; I209-I213 HydrophobicContact CG2-CG1 4.5Å; I209-I213 WeakPolarHBondContact O-CG1 3.31Å; I209-I213 PolarHBondContact O-N 2.77Å; V210-I213 PolarHBondContact O-N 3.13Å; I213-K216 PolarHBondContact O-N 2.92Å; I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.5Å; I213-L217 PolarHBondContact O-N 2.91Å; I213-Y241 HydrophobicContact CD1-CD1 4.02Å; I213-Y241 HydrophobicContact CD1-CE1 4.16Å; I213-Y241 HydrophobicContact CD1-CG 4.31Å; I213-Y241 HydrophobicContact CG1-CD1 3.77Å; I213-Y241 HydrophobicContact CG1-CD2 3.67Å; I213-Y241 HydrophobicContact CG1-CE1 3.77Å; I213-Y241 HydrophobicContact CG1-CE2 3.65Å; I213-Y241 HydrophobicContact CG1-CG 3.72Å; I213-I249 HydrophobicContact CD1-CD1 4.02Å; I213-I251 HydrophobicContact CG2-CD1 4.37Å; I213-I251 HydrophobicContact CG2-CG1 4Å; I213-I251 HydrophobicContact CG2-CG2 4.46Å
214K98.6Very high96.8Very high8 Ų842.1 Ų42.14%0.03521%0.211CC..Hα-helixtrans-57.3-53.2178.9-175.6-170.670.3-175.60111.1G183 L186 T187 L190 V210 R211 D212 K216 C218 F307G183-K214 PolarHBondContact O-NZ 2.72Å; L186-K214 HydrophobicContact CB-CD 3.89Å; T187-K214 PolarHBondContact OG1-NZ 3.16Å; L190-K214 HydrophobicContact CD2-CB 3.64Å; L190-K214 HydrophobicContact CD2-CG 4.34Å; V210-K214 WeakPolarHBondContact O-CB 3.39Å; V210-K214 PolarHBondContact O-N 2.94Å; R211-K214 WeakPolarHBondContact O-CB 3.5Å; R211-K214 PolarHBondContact O-N 2.88Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 2.73Å; K214-K216 PolarHBondContact O-N 2.67Å; K214-C218 HydrophobicContact CG-CB 4.47Å; K214-C218 WeakPolarHBondContact O-CB 3.33Å; K214-C218 PolarHBondContact O-N 3.18Å; K214-C218 VanDerWaalsContact O-N 3.12Å; K214-F307 HydrophobicContact CD-CZ 4.08Å; K214-F307 HydrophobicContact CG-CE1 3.94Å; K214-F307 HydrophobicContact CG-CZ 3.79Å
215E98.2Very high97.3Very high113 Ų11344.5 Ų44.553%0.52822%0.217SC..Hα-helixtrans-66.9-33.7-176.4-72.6173.7-158.900113.1R211 D212R211-E215 WeakPolarHBondContact CG-OE1 3.33Å; R211-E215 IonicContact CZ-OE1 3.04Å; R211-E215 IonicContact NH1-OE1 3.36Å; R211-E215 PolarHBondContact NH1-OE1 2.9Å; R211-E215 IonicContact NH1-OE2 2.63Å; R211-E215 PolarHBondContact NH1-OE2 3.33Å; R211-E215 PolarHBondContact O-N 2.97Å; D212-E215 PolarHBondContact O-N 3.31Å
216K98.3Very high97.7Very high136 Ų13648.1 Ų48.159%0.59122%0.224SC*.Hα-helixtrans-85.3-37.8-178.5-73.4178179.6159.60114.2D212 I213 K214 Y241D212-K216 VanDerWaalsContact CG-NZ 3.27Å; D212-K216 WeakPolarHBondContact O-CB 3.47Å; D212-K216 WeakPolarHBondContact O-CG 3.16Å; D212-K216 PolarHBondContact O-N 3.47Å; D212-K216 WeakPolarHBondContact OD1-CE 3.29Å; D212-K216 IonicContact OD1-NZ 2.78Å; D212-K216 PolarHBondContact OD1-NZ 3.14Å; D212-K216 WeakPolarHBondContact OD2-CD 3.45Å; D212-K216 VanDerWaalsContact OD2-CE 3.31Å; D212-K216 WeakPolarHBondContact OD2-CE 3.32Å; D212-K216 IonicContact OD2-NZ 3.54Å; D212-K216 PolarHBondContact OD2-NZ 2.84Å; I213-K216 PolarHBondContact O-N 2.92Å; K214-K216 PolarHBondContact O-N 2.67Å; K216-Y241 HydrophobicContact CD-CE2 4.31Å
217L98.5Very high97.9Very high28 Ų2847.4 Ų47.415%0.14722%0.221CC..Hα-helixtrans-114.4-23.2-164.9-58.4-172.8000114.1I213 K239 Y241 I251 R255I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.5Å; I213-L217 PolarHBondContact O-N 2.91Å; L217-K239 HydrophobicContact CD1-CB 4.21Å; L217-K239 HydrophobicContact CD2-CB 4.21Å; L217-Y241 HydrophobicContact CD1-CD2 4.01Å; L217-Y241 HydrophobicContact CD1-CG 4.41Å; L217-I251 HydrophobicContact CD1-CB 4.38Å; L217-I251 HydrophobicContact CD1-CG1 3.9Å; L217-R255 HydrophobicContact CB-CG 4.42Å; L217-R255 VanDerWaalsContact O-CZ 3.31Å; L217-R255 PolarHBondContact O-NE 3.3Å; L217-R255 PolarHBondContact O-NH2 3.43Å
218C98.8Very high98Very high3 Ų348.3 Ų48.32%0.0223%0.227CC..  trans-80.6152.5-177.1-62.90000112.5K214 R255 P259 F307K214-C218 HydrophobicContact CG-CB 4.47Å; K214-C218 WeakPolarHBondContact O-CB 3.33Å; K214-C218 PolarHBondContact O-N 3.18Å; K214-C218 VanDerWaalsContact O-N 3.12Å; C218-R255 CarbonylContact C-O 3.16Å; C218-R255 WeakPolarHBondContact CA-O 3.46Å; C218-R255 WeakPolarHBondContact CB-O 3.29Å; C218-P259 HydrophobicContact CB-CG 4.35Å; C218-F307 HydrophobicContact CB-CD1 4.07Å; C218-F307 HydrophobicContact CB-CE1 3.64Å
219Y98.8Very high98.2Very high34 Ų3449.8 Ų49.813%0.13325%0.245CC..  trans-155.9156.2-178.665.9-81.5000110.1E227 R255 F256 P259Y219-E227 PolarHBondContact OH-OE1 2.84Å; Y219-R255 HydrophobicContact CD1-CB 4.1Å; Y219-R255 HydrophobicContact CE1-CB 3.78Å; Y219-R255 PolarHBondContact N-O 2.9Å; Y219-F256 HydrophobicContact CD2-CB 4.4Å; Y219-F256 HydrophobicContact CE1-CB 4.23Å; Y219-F256 HydrophobicContact CE1-CD1 4.37Å; Y219-F256 HydrophobicContact CE2-CB 3.98Å; Y219-F256 AromaticContact CZ-CD1 3.89Å; Y219-F256 VanDerWaalsContact O-CA 3.28Å; Y219-F256 WeakPolarHBondContact O-CA 3.41Å; Y219-F256 WeakPolarHBondContact O-CB 3.45Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.49Å; Y219-P259 WeakPolarHBondContact O-CG 3.36Å
220V98.9Very high98.3Very high4 Ų450.5 Ų50.52%0.02425%0.25CS..  trans-88.4123.9176.2174.20000109.1P259 F263 F307 P308 I310 R313V220-P259 HydrophobicContact CG2-CB 3.87Å; V220-P259 HydrophobicContact CG2-CG 4.32Å; V220-F263 HydrophobicContact CG1-CD2 4.35Å; V220-F263 HydrophobicContact CG1-CE2 3.64Å; V220-F263 HydrophobicContact CG1-CZ 4.09Å; V220-F263 HydrophobicContact CG2-CE2 4.05Å; V220-F307 HydrophobicContact CG2-CB 3.93Å; V220-F307 HydrophobicContact CG2-CG 4.49Å; V220-P308 PolarHBondContact N-O 2.91Å; V220-I310 HydrophobicContact CB-CB 4.3Å; V220-I310 HydrophobicContact CG2-CB 3.9Å; V220-I310 HydrophobicContact CG2-CG1 4.09Å; V220-R313 HydrophobicContact CG1-CB 3.47Å; V220-R313 VanDerWaalsContact CG1-CB 3.47Å; V220-R313 HydrophobicContact CG1-CG 3.66Å
221A98.6Very high98.2Very high1 Ų151.6 Ų51.61%0.00826%0.26CS..  trans-72.8141.9172.200000110.8D223 E227 F256 R313A221-D223 VanDerWaalsContact C-N 3.35Å; A221-E227 HydrophobicContact CB-CB 3.74Å; A221-E227 HydrophobicContact CB-CG 3.83Å; A221-F256 HydrophobicContact CB-CB 4.21Å; A221-F256 HydrophobicContact CB-CD2 4.31Å; A221-F256 HydrophobicContact CB-CG 4.47Å; A221-R313 WeakPolarHBondContact O-CD 3.39Å; A221-R313 PolarHBondContact O-NH1 3.24Å
222L98.4Very high98.1Very high92 Ų9252.7 Ų52.748%0.48228%0.284SS..SBendtrans-70.5-34.9174.9-17665000111.7D312 R313 K316L222-D312 HydrophobicContact CD1-CB 4.18Å; L222-R313 WeakPolarHBondContact O-CD 3.44Å; L222-K316 HydrophobicContact CD1-CB 4.1Å; L222-K316 HydrophobicContact CD1-CD 3.87Å; L222-K316 HydrophobicContact CG-CD 4.15Å; L222-K316 WeakPolarHBondContact O-CD 3.29Å; L222-K316 PolarHBondContact O-NZ 3.07Å
223D98.3Very high98Very high60 Ų6055.9 Ų55.932%0.32131%0.309SS..SBendtrans-135.6105.9174.7-166-62.1000108.8A221 E225 Q226 E227 K316A221-D223 VanDerWaalsContact C-N 3.35Å; D223-E225 PolarHBondContact O-N 3.21Å; D223-E225 PolarHBondContact OD1-N 3.11Å; D223-Q226 HydrophobicContact CB-CB 3.93Å; D223-Q226 PolarHBondContact O-N 3.16Å; D223-Q226 PolarHBondContact OD1-N 3.01Å; D223-E227 WeakPolarHBondContact O-CB 3.47Å; D223-E227 PolarHBondContact O-N 3.37Å; D223-K316 IonicContact OD2-NZ 3.41Å; D223-K316 PolarHBondContact OD2-NZ 3.21Å; D223-K316 VanDerWaalsContact OD2-NZ 3.14Å
224F98.1Very high97.8Very high16 Ų1658.2 Ų58.27%0.0733%0.325CS..Hα-helixtrans-62.3-43.2-172.7177.5-102.6000112.5E227 M228 F256 R257 E260 F267F224-E227 PolarHBondContact O-N 2.95Å; F224-M228 HydrophobicContact CD1-CG 4.28Å; F224-M228 HydrophobicContact CE1-CG 3.79Å; F224-M228 HydrophobicContact CE2-CG 4.08Å; F224-M228 HydrophobicContact CE2-SD 4.35Å; F224-M228 HydrophobicContact CZ-CG 3.69Å; F224-M228 HydrophobicContact CZ-SD 4.03Å; F224-M228 WeakPolarHBondContact O-CB 3.33Å; F224-M228 WeakPolarHBondContact O-CG 3.46Å; F224-M228 PolarHBondContact O-N 2.78Å; F224-F256 AromaticContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CE2 4.24Å; F224-F256 AromaticContact CE2-CD2 3.93Å; F224-F256 HydrophobicContact CE2-CD2 3.93Å; F224-F256 HydrophobicContact CE2-CE2 4.03Å; F224-R257 HydrophobicContact CE2-CG 3.9Å; F224-R257 HydrophobicContact CZ-CG 4.04Å; F224-E260 HydrophobicContact CB-CG 4.41Å; F224-E260 HydrophobicContact CD1-CG 4.39Å; F224-E260 HydrophobicContact CD2-CB 3.8Å; F224-E260 HydrophobicContact CD2-CG 3.42Å; F224-E260 VanDerWaalsContact CD2-CG 3.42Å; F224-E260 HydrophobicContact CE2-CB 3.81Å; F224-E260 HydrophobicContact CE2-CG 3.69Å; F224-E260 HydrophobicContact CG-CG 3.81Å; F224-E260 HydrophobicContact CZ-CG 4.27Å; F224-F267 HydrophobicContact CE1-CE2 4.15Å; F224-F267 AromaticContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE2-CE2 4.17Å; F224-F267 AromaticContact CZ-CE2 3.69Å; F224-F267 HydrophobicContact CZ-CE2 3.69Å; F224-F267 AromaticContact CZ-CZ 3.79Å; F224-F267 HydrophobicContact CZ-CZ 3.79Å
225E97.9Very high97.5Very high126 Ų12661.9 Ų61.959%0.58935%0.352SS*.Hα-helixtrans-68.5-41.3-177.9-63.4-57.2148.100111.5D223 M228 A229D223-E225 PolarHBondContact O-N 3.21Å; D223-E225 PolarHBondContact OD1-N 3.11Å; E225-M228 PolarHBondContact O-N 3.45Å; E225-A229 PolarHBondContact O-N 3.21Å
226Q97.9Very high97.4Very high131 Ų13160.3 Ų60.361%0.61235%0.353SS*.Hα-helixtrans-63.8-41.8174.3-174.3-177.7-12.600111.9D223 M228 A229 T230D223-Q226 HydrophobicContact CB-CB 3.93Å; D223-Q226 PolarHBondContact O-N 3.16Å; D223-Q226 PolarHBondContact OD1-N 3.01Å; Q226-M228 VanDerWaalsContact C-N 3.35Å; Q226-A229 PolarHBondContact O-N 3.3Å; Q226-T230 PolarHBondContact O-N 2.93Å; Q226-T230 PolarHBondContact O-OG1 2.82Å
227E98.1Very high97.3Very high42 Ų4255.1 Ų55.120%0.19633%0.332CS..Hα-helixtrans-65.6-39.4178-155.577.5-134.100111Y219 A221 D223 F224 T230 A231 L237 F256Y219-E227 PolarHBondContact OH-OE1 2.84Å; A221-E227 HydrophobicContact CB-CB 3.74Å; A221-E227 HydrophobicContact CB-CG 3.83Å; D223-E227 WeakPolarHBondContact O-CB 3.47Å; D223-E227 PolarHBondContact O-N 3.37Å; F224-E227 PolarHBondContact O-N 2.95Å; E227-T230 PolarHBondContact O-N 3.24Å; E227-A231 WeakPolarHBondContact O-CB 3.45Å; E227-A231 PolarHBondContact O-N 3.36Å; E227-L237 HydrophobicContact CG-CD1 4.05Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.28Å; E227-L237 VanDerWaalsContact OE1-CD2 3.3Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.42Å; E227-F256 HydrophobicContact CB-CD2 4.06Å; E227-F256 HydrophobicContact CB-CE1 4.45Å; E227-F256 HydrophobicContact CB-CE2 3.8Å; E227-F256 HydrophobicContact CB-CZ 4.01Å; E227-F256 HydrophobicContact CG-CD1 3.75Å; E227-F256 HydrophobicContact CG-CD2 3.9Å; E227-F256 HydrophobicContact CG-CE1 3.69Å; E227-F256 HydrophobicContact CG-CE2 3.86Å; E227-F256 HydrophobicContact CG-CG 3.84Å; E227-F256 HydrophobicContact CG-CZ 3.75Å
228M97.9Very high97.2Very high54 Ų5457.4 Ų57.427%0.26634%0.342SS..Hα-helixtrans-59.9-46.4172.2-79.7-59.1-64.600112.3F224 E225 Q226 T230 A231 A232 N253 F256 R257F224-M228 HydrophobicContact CD1-CG 4.28Å; F224-M228 HydrophobicContact CE1-CG 3.79Å; F224-M228 HydrophobicContact CE2-CG 4.08Å; F224-M228 HydrophobicContact CE2-SD 4.35Å; F224-M228 HydrophobicContact CZ-CG 3.69Å; F224-M228 HydrophobicContact CZ-SD 4.03Å; F224-M228 WeakPolarHBondContact O-CB 3.33Å; F224-M228 WeakPolarHBondContact O-CG 3.46Å; F224-M228 PolarHBondContact O-N 2.78Å; E225-M228 PolarHBondContact O-N 3.45Å; Q226-M228 VanDerWaalsContact C-N 3.35Å; M228-T230 VanDerWaalsContact C-N 3.3Å; M228-T230 PolarHBondContact O-N 3.02Å; M228-A231 PolarHBondContact O-N 3.37Å; M228-A232 WeakPolarHBondContact O-CB 3.21Å; M228-A232 PolarHBondContact O-N 3.03Å; M228-N253 HydrophobicContact SD-CB 4.26Å; M228-F256 HydrophobicContact CG-CE2 3.83Å; M228-F256 HydrophobicContact CG-CZ 4.33Å; M228-F256 HydrophobicContact SD-CE2 3.56Å; M228-F256 VanDerWaalsContact SD-CE2 3.56Å; M228-F256 HydrophobicContact SD-CZ 3.79Å; M228-R257 HydrophobicContact SD-CG 3.86Å
229A98Very high97.2Very high61 Ų6162.3 Ų62.350%0.50436%0.363SS..Hα-helixtrans-63.3-37.2177.100000112.3E225 Q226 A232 S233E225-A229 PolarHBondContact O-N 3.21Å; Q226-A229 PolarHBondContact O-N 3.3Å; A229-A232 PolarHBondContact O-N 3.21Å; A229-S233 PolarHBondContact O-N 2.89Å; A229-S233 PolarHBondContact O-OG 3.27Å
230T97.7Very high97.1Very high46 Ų4664.8 Ų64.828%0.28239%0.385SS..Hα-helixtrans-66.4-45.2175.3-560000110.8Q226 E227 M228 A232 S233 S234 L237Q226-T230 PolarHBondContact O-N 2.93Å; Q226-T230 PolarHBondContact O-OG1 2.82Å; E227-T230 PolarHBondContact O-N 3.24Å; M228-T230 VanDerWaalsContact C-N 3.3Å; M228-T230 PolarHBondContact O-N 3.02Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 2.89Å; T230-S233 PolarHBondContact O-N 2.63Å; T230-S233 PolarHBondContact O-OG 2.9Å; T230-S234 WeakPolarHBondContact O-CB 3.29Å; T230-S234 PolarHBondContact O-N 3.04Å; T230-L237 HydrophobicContact CG2-CD1 3.93Å; T230-L237 HydrophobicContact CG2-CG 4.3Å
231A96.8Very high97.1Very high24 Ų2466 Ų6620%0.19839%0.389CS..Hα-helixtrans-64.5-30177.700000113.4E227 M228 S233 L237 N253 F256E227-A231 WeakPolarHBondContact O-CB 3.45Å; E227-A231 PolarHBondContact O-N 3.36Å; M228-A231 PolarHBondContact O-N 3.37Å; A231-S233 VanDerWaalsContact C-N 3.35Å; A231-L237 HydrophobicContact CB-CD1 3.96Å; A231-N253 HydrophobicContact CB-CB 3.92Å; A231-F256 HydrophobicContact CB-CE1 3.98Å; A231-F256 HydrophobicContact CB-CZ 3.87Å
232A96.3Very high97.1Very high93 Ų9372.4 Ų72.477%0.76942%0.419SS*.Hα-helixtrans-75.1-24.4176.600000113.1M228 A229 T230M228-A232 WeakPolarHBondContact O-CB 3.21Å; M228-A232 PolarHBondContact O-N 3.03Å; A229-A232 PolarHBondContact O-N 3.21Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 2.89Å
233S95.7Very high97Very high102 Ų10269 Ų6971%0.71340%0.401SS*.Hα-helixtrans-106.7-13.6-175.356.40000114.2A229 T230 A231A229-S233 PolarHBondContact O-N 2.89Å; A229-S233 PolarHBondContact O-OG 3.27Å; T230-S233 PolarHBondContact O-N 2.63Å; T230-S233 PolarHBondContact O-OG 2.9Å; A231-S233 VanDerWaalsContact C-N 3.35Å
234S93.2Very high96.7Very high48 Ų4871.4 Ų71.434%0.33642%0.42SS..  trans-146.7141.8-174.4178.30000112.1T230 S236T230-S234 WeakPolarHBondContact O-CB 3.29Å; T230-S234 PolarHBondContact O-N 3.04Å; S234-S236 VanDerWaalsContact C-N 3.25Å; S234-S236 PolarHBondContact O-N 2.76Å; S234-S236 WeakPolarHBondContact OG-CB 3.39Å; S234-S236 PolarHBondContact OG-N 2.71Å; S234-S236 PolarHBondContact OG-OG 3.47Å
235S94Very high96.5Very high85 Ų8576.2 Ų76.259%0.59445%0.447SS*.G310 helixtrans-83.22.8169.858.50000113.4L237 E238S235-L237 PolarHBondContact O-N 3.14Å; S235-E238 WeakPolarHBondContact CB-OE2 3.21Å; S235-E238 VanDerWaalsContact O-CB 3.32Å; S235-E238 WeakPolarHBondContact O-CB 3.32Å; S235-E238 WeakPolarHBondContact O-CG 3.41Å; S235-E238 PolarHBondContact O-N 3.08Å
236S95.3Very high96.4Very high81 Ų8172.1 Ų72.157%0.56644%0.438SS*.G310 helixtrans-58.7-23.1-178.358.20000114.3S234S234-S236 VanDerWaalsContact C-N 3.25Å; S234-S236 PolarHBondContact O-N 2.76Å; S234-S236 WeakPolarHBondContact OG-CB 3.39Å; S234-S236 PolarHBondContact OG-N 2.71Å; S234-S236 PolarHBondContact OG-OG 3.47Å
237L96.2Very high96.3Very high26 Ų2670.9 Ų70.914%0.13643%0.433CS..G310 helixtrans-89.4-7.7178.6-58.7-179.8000113E227 T230 A231 S235 R255 F256E227-L237 HydrophobicContact CG-CD1 4.05Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.28Å; E227-L237 VanDerWaalsContact OE1-CD2 3.3Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.42Å; T230-L237 HydrophobicContact CG2-CD1 3.93Å; T230-L237 HydrophobicContact CG2-CG 4.3Å; A231-L237 HydrophobicContact CB-CD1 3.96Å; S235-L237 PolarHBondContact O-N 3.14Å; L237-R255 PolarHBondContact O-NH1 3.06Å; L237-F256 HydrophobicContact CD1-CE1 4.1Å
238E97.5Very high96.2Very high77 Ų7773 Ų7336%0.3645%0.448SS..  trans-73.7146.1179.1-59.4-168.8139.300111.8R197 S235 T250 I251R197-E238 IonicContact CZ-OE1 3.88Å; R197-E238 IonicContact NH2-OE1 2.77Å; R197-E238 PolarHBondContact NH2-OE1 3.3Å; S235-E238 WeakPolarHBondContact CB-OE2 3.21Å; S235-E238 VanDerWaalsContact O-CB 3.32Å; S235-E238 WeakPolarHBondContact O-CB 3.32Å; S235-E238 WeakPolarHBondContact O-CG 3.41Å; S235-E238 PolarHBondContact O-N 3.08Å; E238-T250 HydrophobicContact CB-CG2 3.79Å; E238-T250 HydrophobicContact CG-CG2 4.21Å; E238-I251 WeakPolarHBondContact CA-O 3.33Å
239K98Very high96.2Very high106 Ų10670.4 Ų70.446%0.46144%0.435SS..EExtended strand (participates in β ladder)trans-134140.3172.3-69.5-66.8-179.1-175.90110.3L217 I251 R255L217-K239 HydrophobicContact CD1-CB 4.21Å; L217-K239 HydrophobicContact CD2-CB 4.21Å; K239-I251 PolarHBondContact N-O 3.47Å; K239-I251 PolarHBondContact O-N 2.93Å; K239-R255 VanDerWaalsContact CG-NH1 3.35Å
240S97.3Very high96.2Very high85 Ų8569.8 Ų69.859%0.59443%0.425SS*.EExtended strand (participates in β ladder)trans-80.1144.3170.753.80000111I249S240-I249 CarbonylContact C-O 3.53Å; S240-I249 VanDerWaalsContact CA-O 3.31Å; S240-I249 WeakPolarHBondContact CA-O 3.39Å
241Y98.1Very high96.2Very high29 Ų2967.6 Ų67.611%0.11441%0.412CS..EExtended strand (participates in β ladder)trans-131.5132.2170.7-175.9-86.9000109.1I209 D212 I213 K216 L217 L243 V248 I249I209-Y241 HydrophobicContact CG2-CE1 3.79Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.28Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.44Å; D212-Y241 VanDerWaalsContact OD2-CZ 3.31Å; D212-Y241 PolarHBondContact OD2-OH 3Å; I213-Y241 HydrophobicContact CD1-CD1 4.02Å; I213-Y241 HydrophobicContact CD1-CE1 4.16Å; I213-Y241 HydrophobicContact CD1-CG 4.31Å; I213-Y241 HydrophobicContact CG1-CD1 3.77Å; I213-Y241 HydrophobicContact CG1-CD2 3.67Å; I213-Y241 HydrophobicContact CG1-CE1 3.77Å; I213-Y241 HydrophobicContact CG1-CE2 3.65Å; I213-Y241 HydrophobicContact CG1-CG 3.72Å; K216-Y241 HydrophobicContact CD-CE2 4.31Å; L217-Y241 HydrophobicContact CD1-CD2 4.01Å; L217-Y241 HydrophobicContact CD1-CG 4.41Å; Y241-L243 HydrophobicContact CD1-CD2 4.07Å; Y241-L243 HydrophobicContact CE1-CD2 4.08Å; Y241-V248 WeakPolarHBondContact O-CA 3.44Å; Y241-I249 HydrophobicContact CD1-CG1 4.43Å; Y241-I249 PolarHBondContact N-O 3.23Å; Y241-I249 PolarHBondContact O-N 3.3Å
242E98Very high96.2Very high137 Ų13766.6 Ų66.664%0.6440%0.404SS*.EExtended strand (participates in β ladder)trans-92.3118.6177.2-171.8177.3166.700109.8V248E242-V248 HydrophobicContact CB-CG2 4.42Å; E242-V248 HydrophobicContact CG-CG2 4.36Å
243L96Very high96.3Very high20 Ų2063.9 Ų63.911%0.10538%0.376CS..  trans-72.3159.2175.5-65178.4000110.7F201 I209 Y241 D245 G246 Q247 I249F201-L243 HydrophobicContact CE1-CD2 4.05Å; F201-L243 HydrophobicContact CZ-CD2 4.17Å; I209-L243 HydrophobicContact CG2-CD2 3.68Å; Y241-L243 HydrophobicContact CD1-CD2 4.07Å; Y241-L243 HydrophobicContact CE1-CD2 4.08Å; L243-D245 WeakPolarHBondContact CB-OD1 3.46Å; L243-D245 PolarHBondContact O-N 2.81Å; L243-G246 WeakPolarHBondContact O-CA 3.49Å; L243-G246 PolarHBondContact O-N 3.18Å; L243-Q247 HydrophobicContact CB-CB 4.43Å; L243-Q247 VanDerWaalsContact CB-O 3.29Å; L243-Q247 WeakPolarHBondContact CB-O 3.26Å; L243-Q247 HydrophobicContact CD1-CB 4.15Å; L243-Q247 HydrophobicContact CD1-CG 4.35Å; L243-Q247 WeakPolarHBondContact CG-O 3.44Å; L243-Q247 PolarHBondContact N-O 3.43Å; L243-I249 HydrophobicContact CD1-CG2 3.73Å; L243-I249 HydrophobicContact CD2-CD1 3.94Å; L243-I249 HydrophobicContact CD2-CG1 4.42Å; L243-I249 HydrophobicContact CG-CD1 4.33Å; L243-I249 HydrophobicContact CG-CG1 4.36Å; L243-I249 HydrophobicContact CG-CG2 4.19Å
244P93.1Very high96.4Very high110 Ų11059.4 Ų59.471%0.71434%0.344SS*.THydrogen-bonded Turntrans-59.2-19.7-179.7-26.736.1000115.7I209 G246I209-P244 HydrophobicContact CD1-CG 3.84Å; I209-P244 HydrophobicContact CG1-CG 4.18Å; P244-G246 VanDerWaalsContact C-N 3.31Å
245D93.5Very high96.7Very high118 Ų11858.7 Ų58.763%0.63133%0.334SS*.THydrogen-bonded Turntrans-87.71.8174.863.3-0.8000113.3L243 Q247L243-D245 WeakPolarHBondContact CB-OD1 3.46Å; L243-D245 PolarHBondContact O-N 2.81Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.33Å; D245-Q247 PolarHBondContact OD1-N 3.02Å
246G95.1Very high96.9Very high40 Ų4054.6 Ų54.641%0.41231%0.306SS..SBendtrans86-3.3-177.500000114.2L243 P244 V248L243-G246 WeakPolarHBondContact O-CA 3.49Å; L243-G246 PolarHBondContact O-N 3.18Å; P244-G246 VanDerWaalsContact C-N 3.31Å; G246-V248 PolarHBondContact O-N 3.36Å
247Q95.8Very high97Very high105 Ų10553.1 Ų53.149%0.49129%0.288SS..  trans-69.1129175.7-180179.9-200110.2L243 D245 I249L243-Q247 HydrophobicContact CB-CB 4.43Å; L243-Q247 VanDerWaalsContact CB-O 3.29Å; L243-Q247 WeakPolarHBondContact CB-O 3.26Å; L243-Q247 HydrophobicContact CD1-CB 4.15Å; L243-Q247 HydrophobicContact CD1-CG 4.35Å; L243-Q247 WeakPolarHBondContact CG-O 3.44Å; L243-Q247 PolarHBondContact N-O 3.43Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.33Å; D245-Q247 PolarHBondContact OD1-N 3.02Å; Q247-I249 HydrophobicContact CG-CG2 4.42Å
248V97.2Very high97.1Very high85 Ų8551.9 Ų51.952%0.51528%0.281SS..EExtended strand (participates in β ladder)trans-93.6124.2175-177.40000110.1Y241 E242 G246Y241-V248 WeakPolarHBondContact O-CA 3.44Å; E242-V248 HydrophobicContact CB-CG2 4.42Å; E242-V248 HydrophobicContact CG-CG2 4.36Å; G246-V248 PolarHBondContact O-N 3.36Å
249I97.2Very high97.2Very high1 Ų148.2 Ų48.21%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-110.3156.8174.563.6171.1000110.9Y199 F201 I213 S240 Y241 L243 Q247 I251Y199-I249 HydrophobicContact CD1-CB 4.3Å; Y199-I249 HydrophobicContact CD1-CG2 3.83Å; Y199-I249 HydrophobicContact CD2-CB 4.41Å; Y199-I249 HydrophobicContact CE1-CB 3.88Å; Y199-I249 HydrophobicContact CE1-CG2 3.56Å; Y199-I249 HydrophobicContact CE2-CB 3.99Å; Y199-I249 HydrophobicContact CG-CG2 4.43Å; F201-I249 HydrophobicContact CZ-CD1 3.93Å; I213-I249 HydrophobicContact CD1-CD1 4.02Å; S240-I249 CarbonylContact C-O 3.53Å; S240-I249 VanDerWaalsContact CA-O 3.31Å; S240-I249 WeakPolarHBondContact CA-O 3.39Å; Y241-I249 HydrophobicContact CD1-CG1 4.43Å; Y241-I249 PolarHBondContact N-O 3.23Å; Y241-I249 PolarHBondContact O-N 3.3Å; L243-I249 HydrophobicContact CD1-CG2 3.73Å; L243-I249 HydrophobicContact CD2-CD1 3.94Å; L243-I249 HydrophobicContact CD2-CG1 4.42Å; L243-I249 HydrophobicContact CG-CD1 4.33Å; L243-I249 HydrophobicContact CG-CG1 4.36Å; L243-I249 HydrophobicContact CG-CG2 4.19Å; Q247-I249 HydrophobicContact CG-CG2 4.42Å; I249-I251 HydrophobicContact CD1-CD1 3.61Å; I249-I251 HydrophobicContact CG1-CD1 3.87Å
250T97.5Very high97.2Very high47 Ų4743.1 Ų43.129%0.28824%0.242SC..EExtended strand (participates in β ladder)trans-110.7123.1179.4-59.40000110.3R197 Y199 E238R197-T250 PolarHBondContact NE-O 3Å; Y199-T250 WeakPolarHBondContact CE2-O 3.35Å; Y199-T250 PolarHBondContact OH-N 2.82Å; E238-T250 HydrophobicContact CB-CG2 3.79Å; E238-T250 HydrophobicContact CG-CG2 4.21Å
251I98.1Very high97.3Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-104.8122.4176.6-40.5-50.6000108.2L194 I213 L217 E238 K239 I249 E254 R255L194-I251 HydrophobicContact CD2-CD1 3.75Å; L194-I251 HydrophobicContact CD2-CG2 4.22Å; I213-I251 HydrophobicContact CG2-CD1 4.37Å; I213-I251 HydrophobicContact CG2-CG1 4Å; I213-I251 HydrophobicContact CG2-CG2 4.46Å; L217-I251 HydrophobicContact CD1-CB 4.38Å; L217-I251 HydrophobicContact CD1-CG1 3.9Å; E238-I251 WeakPolarHBondContact CA-O 3.33Å; K239-I251 PolarHBondContact N-O 3.47Å; K239-I251 PolarHBondContact O-N 2.93Å; I249-I251 HydrophobicContact CD1-CD1 3.61Å; I249-I251 HydrophobicContact CG1-CD1 3.87Å; I251-E254 HydrophobicContact CG2-CB 4.1Å; I251-R255 HydrophobicContact CB-CG 4.1Å; I251-R255 HydrophobicContact CG2-CG 3.61Å; I251-R255 WeakPolarHBondContact O-CD 3.46Å
252G97.7Very high97.3Very high3 Ų337.8 Ų37.83%0.03121%0.209CC..  trans-109-116.8-176.400000112.2E254 R255G252-E254 VanDerWaalsContact C-OE2 3.26Å; G252-E254 VanDerWaalsContact CA-OE2 3.31Å; G252-E254 WeakPolarHBondContact CA-OE2 3.33Å; G252-E254 PolarHBondContact N-OE2 3.35Å; G252-E254 PolarHBondContact O-N 2.94Å; G252-E254 VanDerWaalsContact O-N 3.16Å; G252-R255 WeakPolarHBondContact O-CB 3.4Å; G252-R255 WeakPolarHBondContact O-CG 3.36Å; G252-R255 PolarHBondContact O-N 3.5Å; G252-R255 VanDerWaalsContact O-N 3.16Å
253N97.6Very high97.3Very high37 Ų3731.6 Ų31.620%0.19818%0.18CC..THydrogen-bonded Turntrans-65.5-16.4-17764.145.9000113.7M228 A231 R255 F256 R257M228-N253 HydrophobicContact SD-CB 4.26Å; A231-N253 HydrophobicContact CB-CB 3.92Å; N253-R255 PolarHBondContact O-N 3.3Å; N253-R255 VanDerWaalsContact O-N 3.1Å; N253-F256 VanDerWaalsContact CA-CE1 3.48Å; N253-F256 HydrophobicContact CB-CE1 3.7Å; N253-F256 HydrophobicContact CB-CE2 4.46Å; N253-F256 HydrophobicContact CB-CZ 3.62Å; N253-F256 PolarHBondContact O-N 3.21Å; N253-F256 VanDerWaalsContact O-N 3.12Å; N253-R257 HydrophobicContact CB-CG 4.5Å; N253-R257 WeakPolarHBondContact O-CB 3.5Å; N253-R257 WeakPolarHBondContact O-CG 3.45Å; N253-R257 PolarHBondContact O-N 3.18Å; N253-R257 WeakPolarHBondContact OD1-CD 3.49Å; N253-R257 PolarHBondContact OD1-NH1 2.78Å
254E98.3Very high97.4Very high8 Ų833.7 Ų33.74%0.03719%0.189CC..Hα-helixtrans-57.7-27.3174.7-54.677.9-163.200111.4L190 I193 L194 R197 I251 G252 F256 C258L190-E254 HydrophobicContact CD1-CB 3.9Å; I193-E254 HydrophobicContact CB-CG 4.23Å; I193-E254 HydrophobicContact CD1-CB 3.72Å; I193-E254 HydrophobicContact CD1-CG 4.05Å; I193-E254 HydrophobicContact CG1-CB 3.92Å; I193-E254 HydrophobicContact CG1-CG 3.83Å; L194-E254 HydrophobicContact CD2-CB 4.44Å; L194-E254 HydrophobicContact CD2-CG 4.34Å; R197-E254 WeakPolarHBondContact CD-OE1 3.45Å; R197-E254 IonicContact CZ-OE2 2.72Å; R197-E254 IonicContact NH1-OE1 3.82Å; R197-E254 PolarHBondContact NH1-OE1 2.95Å; R197-E254 IonicContact NH1-OE2 3.02Å; R197-E254 PolarHBondContact NH1-OE2 3.12Å; R197-E254 VanDerWaalsContact NH1-OE2 3.16Å; I251-E254 HydrophobicContact CG2-CB 4.1Å; G252-E254 VanDerWaalsContact C-OE2 3.26Å; G252-E254 VanDerWaalsContact CA-OE2 3.31Å; G252-E254 WeakPolarHBondContact CA-OE2 3.33Å; G252-E254 PolarHBondContact N-OE2 3.35Å; G252-E254 PolarHBondContact O-N 2.94Å; G252-E254 VanDerWaalsContact O-N 3.16Å; E254-F256 VanDerWaalsContact C-N 3.3Å; E254-F256 PolarHBondContact O-N 2.97Å; E254-C258 VanDerWaalsContact O-CB 3.23Å; E254-C258 WeakPolarHBondContact O-CB 3.31Å; E254-C258 PolarHBondContact O-N 2.9Å; E254-C258 VanDerWaalsContact O-N 3.08Å
255R98.6Very high97.7Very high32 Ų3228.7 Ų28.712%0.12116%0.156CC..Hα-helixtrans-58.4-36.8177.3-63.8177.565.3-139.1-10.2113.4L217 C218 Y219 L237 K239 I251 G252 N253 P259L217-R255 HydrophobicContact CB-CG 4.42Å; L217-R255 VanDerWaalsContact O-CZ 3.31Å; L217-R255 PolarHBondContact O-NE 3.3Å; L217-R255 PolarHBondContact O-NH2 3.43Å; C218-R255 CarbonylContact C-O 3.16Å; C218-R255 WeakPolarHBondContact CA-O 3.46Å; C218-R255 WeakPolarHBondContact CB-O 3.29Å; Y219-R255 HydrophobicContact CD1-CB 4.1Å; Y219-R255 HydrophobicContact CE1-CB 3.78Å; Y219-R255 PolarHBondContact N-O 2.9Å; L237-R255 PolarHBondContact O-NH1 3.06Å; K239-R255 VanDerWaalsContact CG-NH1 3.35Å; I251-R255 HydrophobicContact CB-CG 4.1Å; I251-R255 HydrophobicContact CG2-CG 3.61Å; I251-R255 WeakPolarHBondContact O-CD 3.46Å; G252-R255 WeakPolarHBondContact O-CB 3.4Å; G252-R255 WeakPolarHBondContact O-CG 3.36Å; G252-R255 PolarHBondContact O-N 3.5Å; G252-R255 VanDerWaalsContact O-N 3.16Å; N253-R255 PolarHBondContact O-N 3.3Å; N253-R255 VanDerWaalsContact O-N 3.1Å; R255-P259 WeakPolarHBondContact O-CD 3.37Å
256F98.6Very high97.9Very high0 Ų026.8 Ų26.80%015%0.152CC..Hα-helixtrans-111.7-23.3179.564.1-93.8000113.2Y219 A221 F224 E227 M228 A231 L237 N253 E254 C258 P259 E260Y219-F256 HydrophobicContact CD2-CB 4.4Å; Y219-F256 HydrophobicContact CE1-CB 4.23Å; Y219-F256 HydrophobicContact CE1-CD1 4.37Å; Y219-F256 HydrophobicContact CE2-CB 3.98Å; Y219-F256 AromaticContact CZ-CD1 3.89Å; Y219-F256 VanDerWaalsContact O-CA 3.28Å; Y219-F256 WeakPolarHBondContact O-CA 3.41Å; Y219-F256 WeakPolarHBondContact O-CB 3.45Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.49Å; A221-F256 HydrophobicContact CB-CB 4.21Å; A221-F256 HydrophobicContact CB-CD2 4.31Å; A221-F256 HydrophobicContact CB-CG 4.47Å; F224-F256 AromaticContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CE2 4.24Å; F224-F256 AromaticContact CE2-CD2 3.93Å; F224-F256 HydrophobicContact CE2-CD2 3.93Å; F224-F256 HydrophobicContact CE2-CE2 4.03Å; E227-F256 HydrophobicContact CB-CD2 4.06Å; E227-F256 HydrophobicContact CB-CE1 4.45Å; E227-F256 HydrophobicContact CB-CE2 3.8Å; E227-F256 HydrophobicContact CB-CZ 4.01Å; E227-F256 HydrophobicContact CG-CD1 3.75Å; E227-F256 HydrophobicContact CG-CD2 3.9Å; E227-F256 HydrophobicContact CG-CE1 3.69Å; E227-F256 HydrophobicContact CG-CE2 3.86Å; E227-F256 HydrophobicContact CG-CG 3.84Å; E227-F256 HydrophobicContact CG-CZ 3.75Å; M228-F256 HydrophobicContact CG-CE2 3.83Å; M228-F256 HydrophobicContact CG-CZ 4.33Å; M228-F256 HydrophobicContact SD-CE2 3.56Å; M228-F256 VanDerWaalsContact SD-CE2 3.56Å; M228-F256 HydrophobicContact SD-CZ 3.79Å; A231-F256 HydrophobicContact CB-CE1 3.98Å; A231-F256 HydrophobicContact CB-CZ 3.87Å; L237-F256 HydrophobicContact CD1-CE1 4.1Å; N253-F256 VanDerWaalsContact CA-CE1 3.48Å; N253-F256 HydrophobicContact CB-CE1 3.7Å; N253-F256 HydrophobicContact CB-CE2 4.46Å; N253-F256 HydrophobicContact CB-CZ 3.62Å; N253-F256 PolarHBondContact O-N 3.21Å; N253-F256 VanDerWaalsContact O-N 3.12Å; E254-F256 VanDerWaalsContact C-N 3.3Å; E254-F256 PolarHBondContact O-N 2.97Å; F256-C258 VanDerWaalsContact C-N 3.35Å; F256-P259 WeakPolarHBondContact O-CD 3.19Å; F256-E260 WeakPolarHBondContact O-CB 3.35Å; F256-E260 PolarHBondContact O-N 3.34Å
257R98.3Very high97.9Very high49 Ų4927.6 Ų27.619%0.18515%0.145CC..Hα-helixtrans-62.1-39.6169.7-75.7174.768.6-156.3-3.3112.9Y189 I193 E196 F224 M228 N253 E260Y189-R257 WeakPolarHBondContact CE1-O 3.29Å; I193-R257 HydrophobicContact CD1-CB 4.19Å; E196-R257 IonicContact OE2-CZ 3.88Å; E196-R257 IonicContact OE2-NH1 3.69Å; E196-R257 IonicContact OE2-NH2 3.09Å; E196-R257 PolarHBondContact OE2-NH2 2.75Å; E196-R257 VanDerWaalsContact OE2-NH2 3.09Å; F224-R257 HydrophobicContact CE2-CG 3.9Å; F224-R257 HydrophobicContact CZ-CG 4.04Å; M228-R257 HydrophobicContact SD-CG 3.86Å; N253-R257 HydrophobicContact CB-CG 4.5Å; N253-R257 WeakPolarHBondContact O-CB 3.5Å; N253-R257 WeakPolarHBondContact O-CG 3.45Å; N253-R257 PolarHBondContact O-N 3.18Å; N253-R257 WeakPolarHBondContact OD1-CD 3.49Å; N253-R257 PolarHBondContact OD1-NH1 2.78Å; R257-E260 WeakPolarHBondContact O-CB 3.49Å; R257-E260 PolarHBondContact O-N 3.16Å
258C98.7Very high97.9Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-57.6-61.7179.3169.70000112L186 L190 I193 E254 F256 E260 A261L186-C258 WeakPolarHBondContact CD2-O 3.28Å; L186-C258 PolarHBondContact O-SG 3.21Å; L190-C258 HydrophobicContact CB-CB 4.34Å; L190-C258 HydrophobicContact CD1-CB 4.01Å; I193-C258 HydrophobicContact CD1-CB 4.06Å; E254-C258 VanDerWaalsContact O-CB 3.23Å; E254-C258 WeakPolarHBondContact O-CB 3.31Å; E254-C258 PolarHBondContact O-N 2.9Å; E254-C258 VanDerWaalsContact O-N 3.08Å; F256-C258 VanDerWaalsContact C-N 3.35Å; C258-E260 PolarHBondContact O-N 3.38Å; C258-A261 WeakPolarHBondContact O-CB 3.15Å; C258-A261 PolarHBondContact O-N 2.94Å
259P98.7Very high97.8Very high0 Ų024.5 Ų24.50%014%0.144CC..Hα-helixtrans-70-16.2-179.229.2-36.7000113.7C218 Y219 V220 R255 F256 A261 L262 F307C218-P259 HydrophobicContact CB-CG 4.35Å; Y219-P259 WeakPolarHBondContact O-CG 3.36Å; V220-P259 HydrophobicContact CG2-CB 3.87Å; V220-P259 HydrophobicContact CG2-CG 4.32Å; R255-P259 WeakPolarHBondContact O-CD 3.37Å; F256-P259 WeakPolarHBondContact O-CD 3.19Å; P259-A261 PolarHBondContact O-N 3.07Å; P259-L262 WeakPolarHBondContact O-CB 3.2Å; P259-L262 PolarHBondContact O-N 3.09Å; P259-F307 HydrophobicContact CB-CD1 4.36Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE1 4.39Å; P259-F307 HydrophobicContact CB-CE2 3.76Å; P259-F307 HydrophobicContact CB-CG 4.08Å; P259-F307 HydrophobicContact CB-CZ 4.09Å
260E98.7Very high97.7Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-57.5-28171.3-171.662.9-15800112F224 F256 R257 C258 L262 F263 Q264 F267 R313F224-E260 HydrophobicContact CB-CG 4.41Å; F224-E260 HydrophobicContact CD1-CG 4.39Å; F224-E260 HydrophobicContact CD2-CB 3.8Å; F224-E260 HydrophobicContact CD2-CG 3.42Å; F224-E260 VanDerWaalsContact CD2-CG 3.42Å; F224-E260 HydrophobicContact CE2-CB 3.81Å; F224-E260 HydrophobicContact CE2-CG 3.69Å; F224-E260 HydrophobicContact CG-CG 3.81Å; F224-E260 HydrophobicContact CZ-CG 4.27Å; F256-E260 WeakPolarHBondContact O-CB 3.35Å; F256-E260 PolarHBondContact O-N 3.34Å; R257-E260 WeakPolarHBondContact O-CB 3.49Å; R257-E260 PolarHBondContact O-N 3.16Å; C258-E260 PolarHBondContact O-N 3.38Å; E260-L262 PolarHBondContact O-N 2.88Å; E260-F263 CarbonylContact O-C 3.54Å; E260-F263 WeakPolarHBondContact O-CA 3.42Å; E260-F263 PolarHBondContact O-N 3.12Å; E260-Q264 HydrophobicContact CG-CG 4.46Å; E260-Q264 PolarHBondContact O-N 3.47Å; E260-F267 HydrophobicContact CB-CD2 4.32Å; E260-F267 HydrophobicContact CB-CE2 3.97Å; E260-F267 HydrophobicContact CG-CD2 4.27Å; E260-F267 HydrophobicContact CG-CE2 3.63Å; E260-F267 HydrophobicContact CG-CZ 4.34Å; E260-R313 IonicContact OE1-CZ 2.72Å; E260-R313 IonicContact OE1-NH1 2.95Å; E260-R313 PolarHBondContact OE1-NH1 2.89Å; E260-R313 IonicContact OE1-NH2 3.18Å; E260-R313 PolarHBondContact OE1-NH2 3.39Å; E260-R313 IonicContact OE2-CZ 3.14Å; E260-R313 IonicContact OE2-NH1 2.75Å; E260-R313 PolarHBondContact OE2-NH1 3.36Å; E260-R313 IonicContact OE2-NH2 3.87Å
261A98.4Very high97.6Very high0 Ų034.8 Ų34.80%019%0.19CC..THydrogen-bonded Turntrans-57.6-24.5175.700000113.2L181 L186 Y189 C258 P259 F263 Q264 P265 F267 L268L181-A261 VanDerWaalsContact CD2-O 3.23Å; L181-A261 WeakPolarHBondContact CD2-O 3.43Å; L186-A261 HydrophobicContact CD2-CB 3.84Å; Y189-A261 HydrophobicContact CD1-CB 3.93Å; Y189-A261 HydrophobicContact CE1-CB 3.99Å; C258-A261 WeakPolarHBondContact O-CB 3.15Å; C258-A261 PolarHBondContact O-N 2.94Å; P259-A261 PolarHBondContact O-N 3.07Å; A261-F263 VanDerWaalsContact C-N 3.27Å; A261-F263 PolarHBondContact O-N 3.28Å; A261-Q264 CarbonylContact O-C 3.19Å; A261-Q264 VanDerWaalsContact O-C 3.26Å; A261-P265 VanDerWaalsContact O-CA 3.3Å; A261-P265 WeakPolarHBondContact O-CA 3.11Å; A261-P265 VanDerWaalsContact O-N 3.12Å; A261-F267 HydrophobicContact CB-CB 4.31Å; A261-L268 HydrophobicContact CB-CD1 3.81Å; A261-L268 HydrophobicContact CB-CG 4.1Å
262L98.7Very high97.5Very high2 Ų236.9 Ų36.91%0.0121%0.205CC..THydrogen-bonded Turntrans-64.6-32.5171.5-66.3171.5000112.4L181 L186 P259 E260 G274 V275 T304 F307 I310L181-L262 HydrophobicContact CD2-CD2 4.39Å; L181-L262 HydrophobicContact CG-CD2 4.22Å; L186-L262 HydrophobicContact CD1-CD1 4.02Å; L186-L262 HydrophobicContact CD1-CD2 4.04Å; L186-L262 HydrophobicContact CD1-CG 3.91Å; L186-L262 HydrophobicContact CD2-CG 4.39Å; P259-L262 WeakPolarHBondContact O-CB 3.2Å; P259-L262 PolarHBondContact O-N 3.09Å; E260-L262 PolarHBondContact O-N 2.88Å; L262-G274 CarbonylContact O-C 3.51Å; L262-G274 VanDerWaalsContact O-CA 3.28Å; L262-G274 WeakPolarHBondContact O-CA 3.25Å; L262-V275 HydrophobicContact CB-CG1 4.21Å; L262-V275 HydrophobicContact CB-CG2 4.15Å; L262-V275 HydrophobicContact CD2-CG1 4.33Å; L262-V275 PolarHBondContact O-N 2.9Å; L262-T304 HydrophobicContact CD1-CG2 3.77Å; L262-T304 HydrophobicContact CD2-CG2 4.01Å; L262-T304 HydrophobicContact CG-CG2 4.48Å; L262-F307 HydrophobicContact CD1-CD2 4.23Å; L262-F307 HydrophobicContact CD1-CE2 4.26Å; L262-I310 HydrophobicContact CD1-CD1 4.32Å
263F98.7Very high97.5Very high6 Ų638.2 Ų38.23%0.02622%0.215CC..THydrogen-bonded Turntrans-92.5-30.1179-64.5-95.8000111.2V220 E260 A261 G274 V275 H276 I310 R313 M314 E317V220-F263 HydrophobicContact CG1-CD2 4.35Å; V220-F263 HydrophobicContact CG1-CE2 3.64Å; V220-F263 HydrophobicContact CG1-CZ 4.09Å; V220-F263 HydrophobicContact CG2-CE2 4.05Å; E260-F263 CarbonylContact O-C 3.54Å; E260-F263 WeakPolarHBondContact O-CA 3.42Å; E260-F263 PolarHBondContact O-N 3.12Å; A261-F263 VanDerWaalsContact C-N 3.27Å; A261-F263 PolarHBondContact O-N 3.28Å; F263-G274 WeakPolarHBondContact O-CA 3.35Å; F263-V275 HydrophobicContact CD1-CG2 4.36Å; F263-V275 HydrophobicContact CE1-CG2 4.09Å; F263-V275 HydrophobicContact CE2-CG2 4.35Å; F263-V275 HydrophobicContact CZ-CG2 4.08Å; F263-H276 HydrophobicContact CD1-CB 4.26Å; F263-H276 AromaticContact CD1-CE1 3.95Å; F263-H276 AromaticContact CD1-CG 3.91Å; F263-H276 AromaticContact CD1-ND1 3.28Å; F263-H276 VanDerWaalsContact CD1-ND1 3.28Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.27Å; F263-H276 HydrophobicContact CE1-CB 4.23Å; F263-H276 PolarHBondContact O-CE1 3.29Å; F263-I310 HydrophobicContact CE2-CG1 4.31Å; F263-I310 HydrophobicContact CZ-CG1 4.08Å; F263-R313 HydrophobicContact CD1-CG 3.86Å; F263-R313 HydrophobicContact CD2-CG 4.5Å; F263-R313 HydrophobicContact CE1-CB 4.17Å; F263-R313 HydrophobicContact CE1-CG 3.37Å; F263-R313 HydrophobicContact CE2-CG 4.06Å; F263-R313 HydrophobicContact CG-CG 4.43Å; F263-R313 HydrophobicContact CZ-CB 3.94Å; F263-R313 HydrophobicContact CZ-CG 3.49Å; F263-R313 VanDerWaalsContact CZ-CG 3.49Å; F263-M314 HydrophobicContact CE1-CG 4.35Å; F263-M314 HydrophobicContact CE1-SD 3.73Å; F263-M314 HydrophobicContact CZ-CG 4.22Å; F263-M314 HydrophobicContact CZ-SD 3.97Å; F263-E317 HydrophobicContact CD1-CG 4.33Å; F263-E317 HydrophobicContact CE1-CG 4.45Å
264Q97.9Very high97.5Very high65 Ų6536.5 Ų36.530%0.30421%0.207SC..  trans-128.978.2178.2-60.5-173.6-1.400111.1E260 A261 S266 F267E260-Q264 HydrophobicContact CG-CG 4.46Å; E260-Q264 PolarHBondContact O-N 3.47Å; A261-Q264 CarbonylContact O-C 3.19Å; A261-Q264 VanDerWaalsContact O-C 3.26Å; Q264-S266 PolarHBondContact O-N 3.31Å; Q264-F267 HydrophobicContact CB-CD1 4.4Å; Q264-F267 HydrophobicContact CB-CE1 4.43Å; Q264-F267 WeakPolarHBondContact O-CB 3.45Å; Q264-F267 PolarHBondContact O-N 3.09Å
265P98.4Very high97.5Very high4 Ų436.3 Ų36.33%0.02621%0.206CC..G310 helixtrans-58.1-18.1-179.2-27.536.9000114.6L181 A261 F267 L268 G269 M270 S272L181-P265 HydrophobicContact CD2-CB 4.1Å; L181-P265 HydrophobicContact CD2-CG 3.99Å; A261-P265 VanDerWaalsContact O-CA 3.3Å; A261-P265 WeakPolarHBondContact O-CA 3.11Å; A261-P265 VanDerWaalsContact O-N 3.12Å; P265-F267 PolarHBondContact O-N 3.07Å; P265-L268 WeakPolarHBondContact O-CA 3.33Å; P265-L268 WeakPolarHBondContact O-CB 3.44Å; P265-L268 PolarHBondContact O-N 3.02Å; P265-G269 PolarHBondContact O-N 2.84Å; P265-M270 CarbonylContact C-O 3.6Å; P265-M270 HydrophobicContact CB-CB 3.78Å; P265-M270 HydrophobicContact CB-SD 4.35Å; P265-M270 WeakPolarHBondContact O-CB 3.21Å; P265-M270 PolarHBondContact O-N 2.93Å; P265-M270 VanDerWaalsContact O-N 3.12Å; P265-S272 VanDerWaalsContact CB-OG 3.29Å; P265-S272 WeakPolarHBondContact CB-OG 3.26Å; P265-S272 WeakPolarHBondContact CG-O 3.47Å
266S97.2Very high97.5Very high79 Ų7935.5 Ų35.555%0.55220%0.203SC*.G310 helixtrans-57.8-24.5172.361.10000113.7Q264 L268 G269 M270Q264-S266 PolarHBondContact O-N 3.31Å; S266-L268 PolarHBondContact O-N 2.8Å; S266-G269 PolarHBondContact O-N 2.87Å; S266-M270 WeakPolarHBondContact CA-O 3.21Å; S266-M270 PolarHBondContact N-O 2.79Å
267F95.1Very high97.5Very high57 Ų5739.3 Ų39.325%0.2522%0.221CC..G310 helixtrans-61.4-24.9171.5-75.85.4000112.9Y189 F224 E260 A261 Q264 P265Y189-F267 HydrophobicContact CE1-CB 4.32Å; Y189-F267 HydrophobicContact CE1-CD2 4.49Å; F224-F267 HydrophobicContact CE1-CE2 4.15Å; F224-F267 AromaticContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE1-CZ 3.79Å; F224-F267 HydrophobicContact CE2-CE2 4.17Å; F224-F267 AromaticContact CZ-CE2 3.69Å; F224-F267 HydrophobicContact CZ-CE2 3.69Å; F224-F267 AromaticContact CZ-CZ 3.79Å; F224-F267 HydrophobicContact CZ-CZ 3.79Å; E260-F267 HydrophobicContact CB-CD2 4.32Å; E260-F267 HydrophobicContact CB-CE2 3.97Å; E260-F267 HydrophobicContact CG-CD2 4.27Å; E260-F267 HydrophobicContact CG-CE2 3.63Å; E260-F267 HydrophobicContact CG-CZ 4.34Å; A261-F267 HydrophobicContact CB-CB 4.31Å; Q264-F267 HydrophobicContact CB-CD1 4.4Å; Q264-F267 HydrophobicContact CB-CE1 4.43Å; Q264-F267 WeakPolarHBondContact O-CB 3.45Å; Q264-F267 PolarHBondContact O-N 3.09Å; P265-F267 PolarHBondContact O-N 3.07Å
268L96.3Very high97.5Very high55 Ų5537.7 Ų37.729%0.28822%0.217SC..G310 helixtrans-97.33.8173.9-73.7169000112.9L181 D185 Y189 A261 P265 S266 M270L181-L268 HydrophobicContact CD1-CD1 3.24Å; L181-L268 HydrophobicContact CD2-CD1 4.44Å; L181-L268 HydrophobicContact CG-CD1 4.46Å; 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 3.68Å; Y189-L268 HydrophobicContact CG-CG 4.35Å; A261-L268 HydrophobicContact CB-CD1 3.81Å; A261-L268 HydrophobicContact CB-CG 4.1Å; P265-L268 WeakPolarHBondContact O-CA 3.33Å; P265-L268 WeakPolarHBondContact O-CB 3.44Å; P265-L268 PolarHBondContact O-N 3.02Å; S266-L268 PolarHBondContact O-N 2.8Å; L268-M270 VanDerWaalsContact C-N 3.29Å; L268-M270 HydrophobicContact CB-CG 4.05Å; L268-M270 HydrophobicContact CB-SD 4.22Å; L268-M270 HydrophobicContact CD1-SD 4.44Å
269G95.7Very high97.5Very high69 Ų6937.7 Ų37.771%0.71122%0.217SC*.THydrogen-bonded Turntrans73.719.3-173.400000113.6P265 S266P265-G269 PolarHBondContact O-N 2.84Å; S266-G269 PolarHBondContact O-N 2.87Å
270M95.5Very high97.5Very high53 Ų5339.5 Ų39.526%0.26123%0.225SC..  trans-91.3132.6178-57.7175.973.600110.9L179 D180 L181 P265 S266 L268 S272L179-M270 HydrophobicContact CD1-CE 4.38Å; D180-M270 WeakPolarHBondContact O-CE 3.37Å; L181-M270 HydrophobicContact CB-CE 4.08Å; L181-M270 HydrophobicContact CB-SD 4.08Å; L181-M270 HydrophobicContact CD1-SD 4.24Å; L181-M270 HydrophobicContact CD2-SD 4.37Å; L181-M270 HydrophobicContact CG-SD 4.46Å; P265-M270 CarbonylContact C-O 3.6Å; P265-M270 HydrophobicContact CB-CB 3.78Å; P265-M270 HydrophobicContact CB-SD 4.35Å; P265-M270 WeakPolarHBondContact O-CB 3.21Å; P265-M270 PolarHBondContact O-N 2.93Å; P265-M270 VanDerWaalsContact O-N 3.12Å; S266-M270 WeakPolarHBondContact CA-O 3.21Å; S266-M270 PolarHBondContact N-O 2.79Å; L268-M270 VanDerWaalsContact C-N 3.29Å; L268-M270 HydrophobicContact CB-CG 4.05Å; L268-M270 HydrophobicContact CB-SD 4.22Å; L268-M270 HydrophobicContact CD1-SD 4.44Å; M270-S272 VanDerWaalsContact C-N 3.28Å; M270-S272 PolarHBondContact O-N 3.14Å
271E94.4Very high97.5Very high212 Ų21242.6 Ų42.699%0.99124%0.241SC*.  trans-89.761.3171.5-64.4-175.4174.700110.6
272S95.3Very high97.5Very high44 Ų4442.6 Ų42.631%0.30824%0.241SC..SBendtrans-132.9154.7179.455.20000111.6L179 P265 M270L179-S272 WeakPolarHBondContact CD1-OG 3.32Å; P265-S272 VanDerWaalsContact CB-OG 3.29Å; P265-S272 WeakPolarHBondContact CB-OG 3.26Å; P265-S272 WeakPolarHBondContact CG-O 3.47Å; M270-S272 VanDerWaalsContact C-N 3.28Å; M270-S272 PolarHBondContact O-N 3.14Å
273A97.7Very high97.5Very high30 Ų3042.5 Ų42.525%0.24824%0.241CC..  trans-68.2147.8174.200000110.8E277 T278A273-E277 HydrophobicContact CB-CB 3.85Å; A273-E277 WeakPolarHBondContact CB-OE2 3.47Å; A273-T278 PolarHBondContact O-OG1 2.93Å
274G98.5Very high97.5Very high2 Ų244.8 Ų44.82%0.02125%0.252CS..  trans-64.8169.617300000112.7L262 F263 H276 E277 T278L262-G274 CarbonylContact O-C 3.51Å; L262-G274 VanDerWaalsContact O-CA 3.28Å; L262-G274 WeakPolarHBondContact O-CA 3.25Å; F263-G274 WeakPolarHBondContact O-CA 3.35Å; G274-H276 VanDerWaalsContact C-N 3.26Å; G274-H276 PolarHBondContact O-N 3.07Å; G274-E277 PolarHBondContact O-N 3.27Å; G274-T278 VanDerWaalsContact O-CB 3.28Å; G274-T278 WeakPolarHBondContact O-CB 3.32Å; G274-T278 PolarHBondContact O-N 2.8Å; G274-T278 PolarHBondContact O-OG1 3.36Å
275V98.6Very high97.5Very high3 Ų347.1 Ų47.12%0.01826%0.261CS..Hα-helixtrans-61.6-32.2-178.3-67.40000113.6L154 T161 L179 L262 F263 T279 M314L154-V275 HydrophobicContact CD1-CB 4.12Å; L154-V275 HydrophobicContact CD1-CG1 4.35Å; L154-V275 HydrophobicContact CD2-CB 4.07Å; L154-V275 HydrophobicContact CD2-CG2 4.38Å; T161-V275 HydrophobicContact CG2-CG1 4.04Å; L179-V275 HydrophobicContact CD2-CG1 4.15Å; L262-V275 HydrophobicContact CB-CG1 4.21Å; L262-V275 HydrophobicContact CB-CG2 4.15Å; L262-V275 HydrophobicContact CD2-CG1 4.33Å; L262-V275 PolarHBondContact O-N 2.9Å; F263-V275 HydrophobicContact CD1-CG2 4.36Å; F263-V275 HydrophobicContact CE1-CG2 4.09Å; F263-V275 HydrophobicContact CE2-CG2 4.35Å; F263-V275 HydrophobicContact CZ-CG2 4.08Å; V275-T279 WeakPolarHBondContact O-CB 3.39Å; V275-T279 PolarHBondContact O-N 3.06Å; V275-T279 PolarHBondContact O-OG1 3.03Å; V275-M314 HydrophobicContact CB-SD 4.5Å; V275-M314 HydrophobicContact CG2-SD 3.73Å
276H98.6Very high97.5Very high15 Ų1547 Ų477%0.06926%0.261CS..Hα-helixtrans-69.9-49.3177.460.1-70.1000111.8F263 G274 T279 F280 M314 E317F263-H276 HydrophobicContact CD1-CB 4.26Å; F263-H276 AromaticContact CD1-CE1 3.95Å; F263-H276 AromaticContact CD1-CG 3.91Å; F263-H276 AromaticContact CD1-ND1 3.28Å; F263-H276 VanDerWaalsContact CD1-ND1 3.28Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.27Å; F263-H276 HydrophobicContact CE1-CB 4.23Å; F263-H276 PolarHBondContact O-CE1 3.29Å; G274-H276 VanDerWaalsContact C-N 3.26Å; G274-H276 PolarHBondContact O-N 3.07Å; H276-T279 PolarHBondContact O-N 3.34Å; H276-F280 WeakPolarHBondContact O-CB 3.43Å; H276-F280 PolarHBondContact O-N 3.5Å; H276-M314 HydrophobicContact CB-CE 4.26Å; H276-M314 HydrophobicContact CB-SD 3.9Å; H276-E317 HydrophobicContact CB-CB 3.66Å; H276-E317 HydrophobicContact CB-CG 4.32Å
277E98.5Very high97.4Very high81 Ų8148.8 Ų48.838%0.37926%0.264SS..Hα-helixtrans-63.8-41173.4-77.7176.7-172.800111.7A273 G274 T279 F280 N281 L321A273-E277 HydrophobicContact CB-CB 3.85Å; A273-E277 WeakPolarHBondContact CB-OE2 3.47Å; G274-E277 PolarHBondContact O-N 3.27Å; E277-T279 VanDerWaalsContact C-N 3.32Å; E277-T279 PolarHBondContact O-N 3.27Å; E277-F280 WeakPolarHBondContact O-CB 3.42Å; E277-F280 PolarHBondContact O-N 2.93Å; E277-N281 VanDerWaalsContact O-CB 3.27Å; E277-N281 WeakPolarHBondContact O-CB 3.49Å; E277-N281 PolarHBondContact O-N 3.05Å; E277-N281 PolarHBondContact O-ND2 3.23Å; E277-N281 VanDerWaalsContact O-ND2 3.16Å; E277-L321 HydrophobicContact CG-CD1 3.92Å
278T98.7Very high97.5Very high14 Ų1450.7 Ų50.79%0.08628%0.28CS..Hα-helixtrans-61.2-43.6176.4-59.90000110.4T163 L177 A273 G274 N281 S282T163-T278 HydrophobicContact CG2-CG2 3.9Å; L177-T278 HydrophobicContact CB-CG2 3.71Å; L177-T278 HydrophobicContact CD1-CG2 3.98Å; L177-T278 WeakPolarHBondContact CD1-O 3.45Å; A273-T278 PolarHBondContact O-OG1 2.93Å; G274-T278 VanDerWaalsContact O-CB 3.28Å; G274-T278 WeakPolarHBondContact O-CB 3.32Å; G274-T278 PolarHBondContact O-N 2.8Å; G274-T278 PolarHBondContact O-OG1 3.36Å; T278-N281 PolarHBondContact O-N 3.47Å; T278-S282 WeakPolarHBondContact O-CB 3.47Å; T278-S282 PolarHBondContact O-N 3.02Å
279T98.8Very high97.5Very high0 Ų055 Ų550%030%0.303CS..Hα-helixtrans-63.2-45.3175.7-570000111.1I152 T163 V275 H276 E277 S282 I283 T298 I318I152-T279 HydrophobicContact CD1-CG2 3.97Å; I152-T279 HydrophobicContact CG1-CG2 4.5Å; I152-T279 HydrophobicContact CG2-CG2 4.21Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.43Å; V275-T279 WeakPolarHBondContact O-CB 3.39Å; V275-T279 PolarHBondContact O-N 3.06Å; V275-T279 PolarHBondContact O-OG1 3.03Å; H276-T279 PolarHBondContact O-N 3.34Å; E277-T279 VanDerWaalsContact C-N 3.32Å; E277-T279 PolarHBondContact O-N 3.27Å; T279-S282 PolarHBondContact O-N 3.1Å; T279-I283 HydrophobicContact CG2-CD1 4.46Å; T279-I283 WeakPolarHBondContact O-CG1 3.45Å; T279-I283 PolarHBondContact O-N 3.09Å; T279-I283 VanDerWaalsContact O-N 3.13Å; T279-T298 HydrophobicContact CG2-CG2 4.04Å; T279-I318 HydrophobicContact CG2-CD1 3.88Å
280F98.5Very high97.5Very high39 Ų3952.7 Ų52.717%0.17127%0.274CS..Hα-helixtrans-59.1-47.3175.2168.7-93.7000112.3H276 E277 S282 I283 M284 Y295 L321H276-F280 WeakPolarHBondContact O-CB 3.43Å; H276-F280 PolarHBondContact O-N 3.5Å; E277-F280 WeakPolarHBondContact O-CB 3.42Å; E277-F280 PolarHBondContact O-N 2.93Å; F280-S282 VanDerWaalsContact C-N 3.31Å; F280-S282 PolarHBondContact O-N 3.03Å; F280-I283 PolarHBondContact O-N 2.76Å; F280-M284 HydrophobicContact CD1-CG 4.15Å; F280-M284 HydrophobicContact CD2-CG 4.41Å; F280-M284 HydrophobicContact CE1-CG 3.63Å; F280-M284 HydrophobicContact CE2-CE 3.89Å; F280-M284 HydrophobicContact CE2-CG 3.91Å; F280-M284 HydrophobicContact CE2-SD 4.37Å; F280-M284 HydrophobicContact CZ-CE 4.2Å; F280-M284 HydrophobicContact CZ-CG 3.5Å; F280-M284 VanDerWaalsContact CZ-CG 3.5Å; F280-M284 HydrophobicContact CZ-SD 4.08Å; F280-M284 WeakPolarHBondContact O-CG 3.22Å; F280-M284 PolarHBondContact O-N 3.38Å; F280-Y295 HydrophobicContact CD2-CE1 4.43Å; F280-Y295 WeakPolarHBondContact CD2-OH 3.38Å; F280-Y295 VanDerWaalsContact CE2-OH 3.25Å; F280-Y295 WeakPolarHBondContact CE2-OH 3.48Å; F280-L321 HydrophobicContact CB-CB 4.45Å; F280-L321 HydrophobicContact CB-CD1 3.97Å; F280-L321 HydrophobicContact CD2-CB 3.69Å; F280-L321 HydrophobicContact CE2-CB 4.05Å; F280-L321 VanDerWaalsContact CE2-O 3.26Å; F280-L321 WeakPolarHBondContact CE2-O 3.26Å; F280-L321 HydrophobicContact CG-CB 3.98Å; F280-L321 HydrophobicContact CG-CD1 4.17Å
281N98.5Very high97.6Very high65 Ų6552.6 Ų52.635%0.34827%0.271SS..Hα-helixtrans-62.8-37.9179.9-72.8-27.4000111.7L177 E277 T278 M284 K285L177-N281 HydrophobicContact CD1-CB 3.75Å; E277-N281 VanDerWaalsContact O-CB 3.27Å; E277-N281 WeakPolarHBondContact O-CB 3.49Å; E277-N281 PolarHBondContact O-N 3.05Å; E277-N281 PolarHBondContact O-ND2 3.23Å; E277-N281 VanDerWaalsContact O-ND2 3.16Å; T278-N281 PolarHBondContact O-N 3.47Å; N281-M284 PolarHBondContact O-N 3.31Å; N281-K285 WeakPolarHBondContact O-CG 3.49Å; N281-K285 PolarHBondContact O-N 2.92Å
282S98.6Very high97.8Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-62.3-45.3174177.10000111.6I152 T163 P165 A175 T278 T279 F280 M284 K285 C286I152-S282 WeakPolarHBondContact CD1-OG 3.33Å; T163-S282 WeakPolarHBondContact OG1-CB 3.25Å; P165-S282 VanDerWaalsContact CD-OG 3.32Å; P165-S282 WeakPolarHBondContact CD-OG 3.28Å; P165-S282 WeakPolarHBondContact CG-OG 3.29Å; A175-S282 WeakPolarHBondContact O-CB 3.41Å; A175-S282 PolarHBondContact O-OG 3.45Å; T278-S282 WeakPolarHBondContact O-CB 3.47Å; T278-S282 PolarHBondContact O-N 3.02Å; T279-S282 PolarHBondContact O-N 3.1Å; F280-S282 VanDerWaalsContact C-N 3.31Å; F280-S282 PolarHBondContact O-N 3.03Å; S282-M284 VanDerWaalsContact C-N 3.32Å; S282-M284 PolarHBondContact O-N 3.2Å; S282-K285 PolarHBondContact O-N 2.91Å; S282-C286 PolarHBondContact O-SG 2.83Å
283I98.5Very high97.9Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-63.2-39174.2-61.1169.3000111.1I152 T279 F280 K285 C286 R291 L294 Y295I152-I283 HydrophobicContact CD1-CD1 4.4Å; I152-I283 HydrophobicContact CD1-CG1 3.67Å; I152-I283 HydrophobicContact CG2-CD1 4.02Å; I152-I283 HydrophobicContact CG2-CG1 4.2Å; T279-I283 HydrophobicContact CG2-CD1 4.46Å; T279-I283 WeakPolarHBondContact O-CG1 3.45Å; T279-I283 PolarHBondContact O-N 3.09Å; T279-I283 VanDerWaalsContact O-N 3.13Å; F280-I283 PolarHBondContact O-N 2.76Å; I283-K285 PolarHBondContact O-N 3.5Å; I283-C286 VanDerWaalsContact O-CB 3.28Å; I283-C286 WeakPolarHBondContact O-CB 3.39Å; I283-C286 PolarHBondContact O-N 3.12Å; I283-R291 HydrophobicContact CG2-CB 3.86Å; I283-R291 HydrophobicContact CG2-CG 3.87Å; I283-R291 PolarHBondContact O-NE 2.93Å; I283-L294 HydrophobicContact CD1-CB 4.43Å; I283-L294 HydrophobicContact CG1-CB 4.12Å; I283-L294 HydrophobicContact CG1-CD1 4.47Å; I283-L294 HydrophobicContact CG2-CB 4.23Å; I283-L294 HydrophobicContact CG2-CD1 4.28Å; I283-Y295 HydrophobicContact CB-CE1 4.39Å; I283-Y295 HydrophobicContact CD1-CD1 3.4Å; I283-Y295 HydrophobicContact CD1-CE1 3.39Å; I283-Y295 HydrophobicContact CD1-CG 4.12Å; I283-Y295 HydrophobicContact CG1-CE1 4.49Å; I283-Y295 HydrophobicContact CG2-CD1 4.47Å; I283-Y295 HydrophobicContact CG2-CD2 4.1Å; I283-Y295 HydrophobicContact CG2-CE1 4.12Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.46Å
284M97.8Very high97.9Very high53 Ų5348.8 Ų48.826%0.26124%0.244SC..Hα-helixtrans-67.7-21.7178.2-76.1-62.7123.200113.9F280 N281 S282 C286 R291 Y295F280-M284 HydrophobicContact CD1-CG 4.15Å; F280-M284 HydrophobicContact CD2-CG 4.41Å; F280-M284 HydrophobicContact CE1-CG 3.63Å; F280-M284 HydrophobicContact CE2-CE 3.89Å; F280-M284 HydrophobicContact CE2-CG 3.91Å; F280-M284 HydrophobicContact CE2-SD 4.37Å; F280-M284 HydrophobicContact CZ-CE 4.2Å; F280-M284 HydrophobicContact CZ-CG 3.5Å; F280-M284 VanDerWaalsContact CZ-CG 3.5Å; F280-M284 HydrophobicContact CZ-SD 4.08Å; F280-M284 WeakPolarHBondContact O-CG 3.22Å; F280-M284 PolarHBondContact O-N 3.38Å; N281-M284 PolarHBondContact O-N 3.31Å; S282-M284 VanDerWaalsContact C-N 3.32Å; S282-M284 PolarHBondContact O-N 3.2Å; M284-C286 VanDerWaalsContact C-N 3.29Å; M284-R291 PolarHBondContact O-NH2 2.93Å; M284-R291 PolarHBondContact SD-NH1 3.09Å; M284-Y295 HydrophobicContact CE-CE2 4.09Å; M284-Y295 WeakPolarHBondContact CE-OH 3.47Å
285K98.3Very high97.9Very high114 Ų11448.7 Ų48.750%0.49624%0.243SC..THydrogen-bonded Turntrans-78-14171.4-73.6-176.7175.4-162.60113.4A175 L177 N281 S282 I283A175-K285 HydrophobicContact CB-CB 3.71Å; L177-K285 HydrophobicContact CD2-CD 4.08Å; L177-K285 VanDerWaalsContact CD2-NZ 3.34Å; N281-K285 WeakPolarHBondContact O-CG 3.49Å; N281-K285 PolarHBondContact O-N 2.92Å; S282-K285 PolarHBondContact O-N 2.91Å; I283-K285 PolarHBondContact O-N 3.5Å
286C98Very high97.8Very high2 Ų249.8 Ų49.81%0.01425%0.252CS..SBendtrans-85.2160177.9-59.30000111.7P165 L172 A175 S282 I283 M284 I290 R291 L294P165-C286 VanDerWaalsContact CB-SG 3.59Å; L172-C286 HydrophobicContact CD1-CB 4.48Å; A175-C286 VanDerWaalsContact CB-SG 3.55Å; S282-C286 PolarHBondContact O-SG 2.83Å; I283-C286 VanDerWaalsContact O-CB 3.28Å; I283-C286 WeakPolarHBondContact O-CB 3.39Å; I283-C286 PolarHBondContact O-N 3.12Å; M284-C286 VanDerWaalsContact C-N 3.29Å; C286-I290 HydrophobicContact CB-CD1 3.96Å; C286-I290 HydrophobicContact CB-CG1 4.09Å; C286-R291 VanDerWaalsContact O-CZ 3.3Å; C286-R291 PolarHBondContact O-NE 3.09Å; C286-R291 PolarHBondContact O-NH2 3.17Å; C286-L294 HydrophobicContact CB-CD1 3.75Å; C286-L294 VanDerWaalsContact SG-CD1 3.56Å
287D96.7Very high97.8Very high116 Ų11650.7 Ų50.762%0.6226%0.257SS*.  trans-59.5143.1175-67.8-40.8000112D289 I290 R291D287-D289 PolarHBondContact O-N 3.4Å; D287-D289 VanDerWaalsContact O-N 3.16Å; D287-I290 VanDerWaalsContact O-CG1 3.29Å; D287-I290 WeakPolarHBondContact O-CG1 3.48Å; D287-I290 PolarHBondContact O-N 3.13Å; D287-R291 WeakPolarHBondContact O-CG 3.49Å; D287-R291 PolarHBondContact O-N 3.03Å
288V96Very high97.8Very high98 Ų9846.9 Ų46.959%0.59424%0.239SC*.Hα-helixtrans-55.5-37.8-174175.10000112.1I290 R291V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 3.28Å; V288-R291 PolarHBondContact O-N 2.8Å
289D95.9Very high97.8Very high145 Ų14546.2 Ų46.278%0.77524%0.235SC*.Hα-helixtrans-65-29.8-174.2-64.4-18000113D287D287-D289 PolarHBondContact O-N 3.4Å; D287-D289 VanDerWaalsContact O-N 3.16Å
290I97Very high97.8Very high20 Ų2046.2 Ų46.210%0.10324%0.235CC..Hα-helixtrans-96.1-13.9-177.867.7166.5000113.3Y167 L172 C286 D287 V288 K292 D293 L294Y167-I290 HydrophobicContact CD2-CB 3.99Å; Y167-I290 HydrophobicContact CD2-CD1 4.32Å; Y167-I290 HydrophobicContact CD2-CG2 3.58Å; Y167-I290 HydrophobicContact CE2-CB 4.21Å; Y167-I290 HydrophobicContact CE2-CG2 3.46Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.46Å; Y167-I290 HydrophobicContact CG-CG2 4.36Å; L172-I290 HydrophobicContact CD1-CD1 3.49Å; L172-I290 VanDerWaalsContact CD1-CD1 3.49Å; C286-I290 HydrophobicContact CB-CD1 3.96Å; C286-I290 HydrophobicContact CB-CG1 4.09Å; D287-I290 VanDerWaalsContact O-CG1 3.29Å; D287-I290 WeakPolarHBondContact O-CG1 3.48Å; D287-I290 PolarHBondContact O-N 3.13Å; V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 3.28Å; I290-K292 PolarHBondContact O-N 2.99Å; I290-D293 PolarHBondContact O-N 3.49Å; I290-L294 HydrophobicContact CD1-CD1 4.16Å; I290-L294 HydrophobicContact CG1-CD1 4.23Å; I290-L294 WeakPolarHBondContact O-CG 3.31Å; I290-L294 PolarHBondContact O-N 2.96Å; I290-L294 VanDerWaalsContact O-N 3.07Å
291R98Very high97.8Very high51 Ų5144.3 Ų44.319%0.19223%0.227CC..Hα-helixtrans-58.2-36.4-175.4-63.5-174.7-171175.11.1112.9I283 M284 C286 D287 V288 D293 L294 Y295I283-R291 HydrophobicContact CG2-CB 3.86Å; I283-R291 HydrophobicContact CG2-CG 3.87Å; I283-R291 PolarHBondContact O-NE 2.93Å; M284-R291 PolarHBondContact O-NH2 2.93Å; M284-R291 PolarHBondContact SD-NH1 3.09Å; C286-R291 VanDerWaalsContact O-CZ 3.3Å; C286-R291 PolarHBondContact O-NE 3.09Å; C286-R291 PolarHBondContact O-NH2 3.17Å; D287-R291 WeakPolarHBondContact O-CG 3.49Å; D287-R291 PolarHBondContact O-N 3.03Å; V288-R291 PolarHBondContact O-N 2.8Å; R291-D293 VanDerWaalsContact C-N 3.29Å; R291-D293 PolarHBondContact O-N 2.86Å; R291-L294 PolarHBondContact O-N 3.12Å; R291-Y295 HydrophobicContact CB-CD2 4.35Å; R291-Y295 HydrophobicContact CB-CE2 4.3Å; R291-Y295 WeakPolarHBondContact O-CB 3.05Å; R291-Y295 WeakPolarHBondContact O-CD2 3.38Å; R291-Y295 PolarHBondContact O-N 2.91Å
292K97.4Very high97.8Very high139 Ų13941.6 Ų41.660%0.60421%0.214SC*.Hα-helixtrans-57.6-44.5176.8178.8-173170.1-168.10111.2I290 A296 M326I290-K292 PolarHBondContact O-N 2.99Å; K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 3.49Å; K292-A296 VanDerWaalsContact O-N 3.08Å; K292-M326 HydrophobicContact CB-SD 4.12Å
293D97.4Very high97.7Very high68 Ų6843.7 Ų43.736%0.36424%0.236SC..Hα-helixtrans-73.5-35.7-179.1-62.9-39.4000111.7T150 I290 R291 A296 N297T150-D293 HydrophobicContact CG2-CB 3.87Å; I290-D293 PolarHBondContact O-N 3.49Å; R291-D293 VanDerWaalsContact C-N 3.29Å; R291-D293 PolarHBondContact O-N 2.86Å; D293-A296 PolarHBondContact O-N 3Å; D293-N297 WeakPolarHBondContact O-CB 3.25Å; D293-N297 PolarHBondContact O-N 3.4Å; D293-N297 PolarHBondContact O-ND2 3.38Å
294L98.2Very high97.7Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-63.1-46.6173.6-60.7-179.2000111.7G151 P165 I283 C286 I290 R291 A296 N297 T298G151-L294 VanDerWaalsContact C-CD2 3.47Å; G151-L294 VanDerWaalsContact O-CD2 3.29Å; G151-L294 WeakPolarHBondContact O-CD2 3.48Å; P165-L294 HydrophobicContact CB-CD1 4.04Å; P165-L294 HydrophobicContact CB-CD2 4.29Å; I283-L294 HydrophobicContact CD1-CB 4.43Å; I283-L294 HydrophobicContact CG1-CB 4.12Å; I283-L294 HydrophobicContact CG1-CD1 4.47Å; I283-L294 HydrophobicContact CG2-CB 4.23Å; I283-L294 HydrophobicContact CG2-CD1 4.28Å; C286-L294 HydrophobicContact CB-CD1 3.75Å; C286-L294 VanDerWaalsContact SG-CD1 3.56Å; I290-L294 HydrophobicContact CD1-CD1 4.16Å; I290-L294 HydrophobicContact CG1-CD1 4.23Å; I290-L294 WeakPolarHBondContact O-CG 3.31Å; I290-L294 PolarHBondContact O-N 2.96Å; I290-L294 VanDerWaalsContact O-N 3.07Å; R291-L294 PolarHBondContact O-N 3.12Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-A296 PolarHBondContact O-N 3.01Å; L294-N297 CarbonylContact O-C 3.53Å; L294-N297 VanDerWaalsContact O-C 3.28Å; L294-N297 PolarHBondContact O-N 2.84Å; L294-N297 VanDerWaalsContact O-N 3.16Å; L294-T298 PolarHBondContact O-N 3.43Å
295Y98.2Very high97.8Very high0 Ų041.6 Ų41.60%023%0.226CC..Hα-helixtrans-64.2-35.9176.6-81.5-52.2000113.5F280 I283 M284 R291 N297 I318 A322 M326 K327 I328 K329F280-Y295 HydrophobicContact CD2-CE1 4.43Å; F280-Y295 WeakPolarHBondContact CD2-OH 3.38Å; F280-Y295 VanDerWaalsContact CE2-OH 3.25Å; F280-Y295 WeakPolarHBondContact CE2-OH 3.48Å; I283-Y295 HydrophobicContact CB-CE1 4.39Å; I283-Y295 HydrophobicContact CD1-CD1 3.4Å; I283-Y295 HydrophobicContact CD1-CE1 3.39Å; I283-Y295 HydrophobicContact CD1-CG 4.12Å; I283-Y295 HydrophobicContact CG1-CE1 4.49Å; I283-Y295 HydrophobicContact CG2-CD1 4.47Å; I283-Y295 HydrophobicContact CG2-CD2 4.1Å; I283-Y295 HydrophobicContact CG2-CE1 4.12Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.46Å; M284-Y295 HydrophobicContact CE-CE2 4.09Å; M284-Y295 WeakPolarHBondContact CE-OH 3.47Å; R291-Y295 HydrophobicContact CB-CD2 4.35Å; R291-Y295 HydrophobicContact CB-CE2 4.3Å; R291-Y295 WeakPolarHBondContact O-CB 3.05Å; R291-Y295 WeakPolarHBondContact O-CD2 3.38Å; R291-Y295 PolarHBondContact O-N 2.91Å; Y295-N297 PolarHBondContact O-N 2.82Å; Y295-I318 HydrophobicContact CD1-CG2 3.89Å; Y295-I318 HydrophobicContact CE1-CG2 3.81Å; Y295-A322 HydrophobicContact CD1-CB 4.29Å; Y295-A322 HydrophobicContact CE1-CB 3.74Å; Y295-A322 HydrophobicContact CE2-CB 4.26Å; Y295-M326 HydrophobicContact CD2-CB 3.95Å; Y295-M326 HydrophobicContact CD2-CG 3.73Å; Y295-M326 HydrophobicContact CD2-SD 4.09Å; Y295-M326 HydrophobicContact CE2-CB 4.47Å; Y295-M326 HydrophobicContact CE2-CG 3.98Å; Y295-M326 HydrophobicContact CG-CB 4.4Å; Y295-K327 CarbonylContact C-O 3.26Å; Y295-I328 HydrophobicContact CD1-CD1 3.37Å; Y295-I328 HydrophobicContact CD2-CD1 4.36Å; Y295-I328 HydrophobicContact CE1-CD1 4.11Å; Y295-I328 HydrophobicContact CG-CD1 3.53Å; Y295-I328 WeakPolarHBondContact O-CA 3.5Å; Y295-K329 PolarHBondContact O-N 3.33Å
296A97.5Very high97.8Very high26 Ų2639.2 Ų39.222%0.21522%0.217CC..THydrogen-bonded Turntrans-75.8-6.6177.500000113.2K292 D293 L294 K329K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 3.49Å; K292-A296 VanDerWaalsContact O-N 3.08Å; D293-A296 PolarHBondContact O-N 3Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-A296 PolarHBondContact O-N 3.01Å; A296-K329 WeakPolarHBondContact O-CB 3.45Å
297N97.7Very high97.8Very high34 Ų3439.7 Ų39.718%0.18222%0.219CC..THydrogen-bonded Turntrans-142.955.1-175.5-62.7-70.2000111.8R148 G151 I152 D293 L294 Y295 V299R148-N297 WeakPolarHBondContact CD-OD1 3.31Å; R148-N297 PolarHBondContact NE-OD1 2.8Å; G151-N297 WeakPolarHBondContact CA-O 3.41Å; I152-N297 PolarHBondContact N-O 2.91Å; D293-N297 WeakPolarHBondContact O-CB 3.25Å; D293-N297 PolarHBondContact O-N 3.4Å; D293-N297 PolarHBondContact O-ND2 3.38Å; L294-N297 CarbonylContact O-C 3.53Å; L294-N297 VanDerWaalsContact O-C 3.28Å; L294-N297 PolarHBondContact O-N 2.84Å; L294-N297 VanDerWaalsContact O-N 3.16Å; Y295-N297 PolarHBondContact O-N 2.82Å; N297-V299 PolarHBondContact O-N 2.93Å
298T98.6Very high97.9Very high0 Ų038.1 Ų38.10%022%0.215CC..EExtended strand (participates in β ladder)trans-81.8107168.8-58.20000109.7I152 T279 L294 I318 K329 I330 V331I152-T298 HydrophobicContact CG2-CG2 4.11Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.33Å; I152-T298 CarbonylContact O-C 3.58Å; I152-T298 VanDerWaalsContact O-CA 3.31Å; I152-T298 WeakPolarHBondContact O-CA 3.44Å; T279-T298 HydrophobicContact CG2-CG2 4.04Å; L294-T298 PolarHBondContact O-N 3.43Å; T298-I318 HydrophobicContact CG2-CD1 4.22Å; T298-K329 PolarHBondContact N-O 3.17Å; T298-I330 HydrophobicContact CG2-CD1 3.78Å; T298-I330 CarbonylContact O-C 3.53Å; T298-I330 WeakPolarHBondContact O-CA 3.3Å; T298-V331 PolarHBondContact O-N 2.9Å
299V98.7Very high98Very high0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-98.9130.4-178.2-178.30000110.3L143 I152 V153 L154 N297 V331L143-V299 HydrophobicContact CD1-CB 4.42Å; L143-V299 HydrophobicContact CD1-CG2 3.68Å; I152-V299 PolarHBondContact O-N 3.37Å; V153-V299 CarbonylContact C-O 3.54Å; V153-V299 WeakPolarHBondContact CA-O 3.29Å; V153-V299 HydrophobicContact CG2-CB 4.24Å; L154-V299 PolarHBondContact N-O 3.01Å; N297-V299 PolarHBondContact O-N 2.93Å; V299-V331 CarbonylContact C-O 3.49Å; V299-V331 WeakPolarHBondContact CA-O 3.19Å; V299-V331 HydrophobicContact CG2-CB 4.1Å; V299-V331 HydrophobicContact CG2-CG1 4.47Å
300L98.8Very high98.1Very high0 Ų028 Ų280%017%0.165CC..EExtended strand (participates in β ladder)trans-90.8131.3173.9-55.1-168.7000110.2L154 T305 I310 A311 I330 V331 A332 R336L154-L300 HydrophobicContact CB-CD2 3.98Å; L154-L300 HydrophobicContact CD2-CD2 3.93Å; L154-L300 HydrophobicContact CG-CD2 4.47Å; L300-T305 HydrophobicContact CB-CG2 4.33Å; L300-I310 HydrophobicContact CD1-CG2 3.96Å; L300-A311 HydrophobicContact CD1-CB 4.12Å; L300-I330 HydrophobicContact CD1-CG2 3.83Å; L300-I330 HydrophobicContact CD2-CG2 4.09Å; L300-I330 HydrophobicContact CG-CG2 3.74Å; L300-V331 PolarHBondContact N-O 3.05Å; L300-A332 HydrophobicContact CB-CB 4.34Å; L300-A332 HydrophobicContact CD1-CB 4Å; L300-A332 HydrophobicContact CG-CB 4.32Å; L300-R336 WeakPolarHBondContact O-CB 3.43Å
301S98.5Very high98.2Very high0 Ų028.3 Ų28.30%017%0.17CC..EExtended strand (participates in β ladder)trans-134.2152.2-179.9171.10000111.2S142 L154 D155 S156 T305S142-S301 WeakPolarHBondContact CB-OG 3.46Å; S142-S301 WeakPolarHBondContact OG-CB 3.47Å; S142-S301 PolarHBondContact OG-OG 3.26Å; L154-S301 PolarHBondContact O-N 2.97Å; D155-S301 WeakPolarHBondContact CA-O 3.29Å; D155-S301 VanDerWaalsContact OD1-C 3.31Å; D155-S301 WeakPolarHBondContact OD1-CB 3.48Å; D155-S301 PolarHBondContact OD1-OG 2.97Å; S156-S301 PolarHBondContact N-O 2.86Å; S301-T305 WeakPolarHBondContact O-CG2 3.36Å; S301-T305 PolarHBondContact O-OG1 3.05Å
302G97.8Very high98.3Very high8 Ų830.9 Ų30.98%0.08219%0.187CC..SBendtrans90.8159.2171.200000114S156 T304 T305 R336S156-G302 CarbonylContact O-C 3.54Å; S156-G302 WeakPolarHBondContact O-CA 3.45Å; G302-T304 VanDerWaalsContact C-N 3.34Å; G302-T304 PolarHBondContact O-N 2.84Å; G302-T305 PolarHBondContact O-N 2.7Å; G302-T305 VanDerWaalsContact O-N 3.14Å; G302-T305 PolarHBondContact O-OG1 2.98Å; G302-R336 PolarHBondContact N-O 3.38Å; G302-R336 VanDerWaalsContact N-O 3.13Å
303G97.3Very high98.3Very high44 Ų4424.7 Ų24.745%0.45416%0.16SC..G310 helixtrans-62.8-33.3-170.100000114.5S156 T305 M306S156-G303 PolarHBondContact O-N 2.87Å; G303-T305 PolarHBondContact O-N 2.82Å; G303-M306 WeakPolarHBondContact O-CB 3.5Å; G303-M306 VanDerWaalsContact O-CG 3.24Å; G303-M306 WeakPolarHBondContact O-CG 3.29Å; G303-M306 PolarHBondContact O-N 3.48Å
304T98.5Very high98.4Very high8 Ų821.5 Ų21.55%0.04914%0.143CC..G310 helixtrans-71.7-22.9179.6-65.50000111.7S156 G157 G183 L186 L262 G302 M306 F307S156-T304 WeakPolarHBondContact O-CB 3.4Å; S156-T304 PolarHBondContact O-N 2.87Å; S156-T304 VanDerWaalsContact OG-CB 3.28Å; S156-T304 WeakPolarHBondContact OG-CB 3.42Å; S156-T304 VanDerWaalsContact OG-CG2 3.3Å; S156-T304 WeakPolarHBondContact OG-CG2 3.03Å; G157-T304 PolarHBondContact O-OG1 3.13Å; G183-T304 VanDerWaalsContact CA-OG1 3.3Å; G183-T304 WeakPolarHBondContact CA-OG1 3.37Å; G183-T304 PolarHBondContact N-OG1 3.37Å; G183-T304 VanDerWaalsContact N-OG1 3.14Å; L186-T304 HydrophobicContact CD1-CG2 3.86Å; L262-T304 HydrophobicContact CD1-CG2 3.77Å; L262-T304 HydrophobicContact CD2-CG2 4.01Å; L262-T304 HydrophobicContact CG-CG2 4.48Å; G302-T304 VanDerWaalsContact C-N 3.34Å; G302-T304 PolarHBondContact O-N 2.84Å; T304-M306 PolarHBondContact O-N 3.32Å; T304-F307 HydrophobicContact CG2-CE2 4.12Å; T304-F307 WeakPolarHBondContact O-CD2 3.45Å
305T98.7Very high98.4Very high1 Ų124.4 Ų24.41%0.00616%0.157CC..G310 helixtrans-77.83.9171.275.40000113.5L300 S301 G302 G303 F307 I310 R336L300-T305 HydrophobicContact CB-CG2 4.33Å; S301-T305 WeakPolarHBondContact O-CG2 3.36Å; S301-T305 PolarHBondContact O-OG1 3.05Å; G302-T305 PolarHBondContact O-N 2.7Å; G302-T305 VanDerWaalsContact O-N 3.14Å; G302-T305 PolarHBondContact O-OG1 2.98Å; G303-T305 PolarHBondContact O-N 2.82Å; T305-F307 VanDerWaalsContact C-N 3.29Å; T305-F307 PolarHBondContact O-N 3.32Å; T305-I310 VanDerWaalsContact O-CG2 3.26Å; T305-I310 WeakPolarHBondContact O-CG2 3.14Å; T305-R336 VanDerWaalsContact O-CZ 3.25Å; T305-R336 PolarHBondContact O-NE 3.48Å; T305-R336 PolarHBondContact O-NH2 3.09Å; T305-R336 WeakPolarHBondContact OG1-CD 3.45Å; T305-R336 PolarHBondContact OG1-NE 3.23Å
306M98.4Very high98.4Very high63 Ų6328.1 Ų28.131%0.3117%0.173SC..G310 helixtrans-79.2-8.3177.8-64.1-63.6-63.300113.8G303 T304 R336 K337G303-M306 WeakPolarHBondContact O-CB 3.5Å; G303-M306 VanDerWaalsContact O-CG 3.24Å; G303-M306 WeakPolarHBondContact O-CG 3.29Å; G303-M306 PolarHBondContact O-N 3.48Å; T304-M306 PolarHBondContact O-N 3.32Å; M306-R336 HydrophobicContact SD-CG 3.47Å; M306-R336 WeakPolarHBondContact SD-CG 3.25Å; M306-K337 HydrophobicContact CE-CG 4.36Å; M306-K337 HydrophobicContact CG-CB 3.96Å; M306-K337 HydrophobicContact SD-CB 3.93Å; M306-K337 HydrophobicContact SD-CG 4.22Å
307F98.7Very high98.5Very high13 Ų1328.7 Ų28.76%0.05717%0.171CC..SBendtrans-55.6129.3176.4-71.3-57.8000111.4L186 K214 C218 V220 P259 L262 T304 T305 I310L186-F307 HydrophobicContact CD1-CE2 3.65Å; L186-F307 HydrophobicContact CD1-CZ 4.08Å; K214-F307 HydrophobicContact CD-CZ 4.08Å; K214-F307 HydrophobicContact CG-CE1 3.94Å; K214-F307 HydrophobicContact CG-CZ 3.79Å; C218-F307 HydrophobicContact CB-CD1 4.07Å; C218-F307 HydrophobicContact CB-CE1 3.64Å; V220-F307 HydrophobicContact CG2-CB 3.93Å; V220-F307 HydrophobicContact CG2-CG 4.49Å; P259-F307 HydrophobicContact CB-CD1 4.36Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE1 4.39Å; P259-F307 HydrophobicContact CB-CE2 3.76Å; P259-F307 HydrophobicContact CB-CG 4.08Å; P259-F307 HydrophobicContact CB-CZ 4.09Å; L262-F307 HydrophobicContact CD1-CD2 4.23Å; L262-F307 HydrophobicContact CD1-CE2 4.26Å; T304-F307 HydrophobicContact CG2-CE2 4.12Å; T304-F307 WeakPolarHBondContact O-CD2 3.45Å; T305-F307 VanDerWaalsContact C-N 3.29Å; T305-F307 PolarHBondContact O-N 3.32Å; F307-I310 HydrophobicContact CB-CB 4.47Å; F307-I310 WeakPolarHBondContact O-CG2 3.34Å; F307-I310 PolarHBondContact O-N 3.18Å
308P98.7Very high98.5Very high82 Ų8227.1 Ų27.153%0.53216%0.163SC..THydrogen-bonded Turntrans-55141.7169.4-23.733.9000110.8V220 I310V220-P308 PolarHBondContact N-O 2.91Å; P308-I310 VanDerWaalsContact C-N 3.29Å; P308-I310 PolarHBondContact O-N 2.98Å
309G98.6Very high98.5Very high28 Ų2830.6 Ų30.629%0.28918%0.184SC..THydrogen-bonded Turntrans81.9-10.8178.900000116A311 D312 R313G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 3.29Å; G309-D312 PolarHBondContact O-N 2.94Å; G309-R313 PolarHBondContact O-N 3.49Å
310I98.8Very high98.4Very high4 Ų434.5 Ų34.52%0.02122%0.216CC..Hα-helixtrans-63.3-37.3-177.3-163.9174.8000112.6V220 L262 F263 L300 T305 F307 P308 R313 M314V220-I310 HydrophobicContact CB-CB 4.3Å; V220-I310 HydrophobicContact CG2-CB 3.9Å; V220-I310 HydrophobicContact CG2-CG1 4.09Å; L262-I310 HydrophobicContact CD1-CD1 4.32Å; F263-I310 HydrophobicContact CE2-CG1 4.31Å; F263-I310 HydrophobicContact CZ-CG1 4.08Å; L300-I310 HydrophobicContact CD1-CG2 3.96Å; T305-I310 VanDerWaalsContact O-CG2 3.26Å; T305-I310 WeakPolarHBondContact O-CG2 3.14Å; F307-I310 HydrophobicContact CB-CB 4.47Å; F307-I310 WeakPolarHBondContact O-CG2 3.34Å; F307-I310 PolarHBondContact O-N 3.18Å; P308-I310 VanDerWaalsContact C-N 3.29Å; P308-I310 PolarHBondContact O-N 2.98Å; I310-R313 PolarHBondContact O-N 2.86Å; I310-M314 HydrophobicContact CG1-CG 4.34Å; I310-M314 WeakPolarHBondContact O-CB 3.36Å; I310-M314 VanDerWaalsContact O-CG 3.22Å; I310-M314 WeakPolarHBondContact O-CG 3.49Å; I310-M314 PolarHBondContact O-N 3.37Å
311A98.7Very high98.4Very high25 Ų2537.6 Ų37.621%0.20723%0.232CC..Hα-helixtrans-65.4-43.1179.200000111.5L300 G309 M314 Q315 I330 A332L300-A311 HydrophobicContact CD1-CB 4.12Å; G309-A311 VanDerWaalsContact C-N 3.32Å; G309-A311 PolarHBondContact O-N 3.29Å; A311-M314 PolarHBondContact O-N 3.19Å; A311-Q315 VanDerWaalsContact O-CB 3.31Å; A311-Q315 WeakPolarHBondContact O-CB 3.4Å; A311-Q315 PolarHBondContact O-N 2.91Å; A311-I330 HydrophobicContact CB-CG2 4.08Å; A311-A332 HydrophobicContact CB-CB 3.88Å
312D98.7Very high98.3Very high105 Ų10538.1 Ų38.156%0.56124%0.237SC*.Hα-helixtrans-67.3-41178.2-57.4-54.6000111.4L222 G309 Q315 K316L222-D312 HydrophobicContact CD1-CB 4.18Å; G309-D312 PolarHBondContact O-N 2.94Å; D312-Q315 WeakPolarHBondContact O-CB 3.48Å; D312-Q315 PolarHBondContact O-N 3.21Å; D312-K316 PolarHBondContact O-N 3.21Å
313R98.7Very high98.2Very high10 Ų1040.5 Ų40.54%0.03825%0.251CS..Hα-helixtrans-63.6-47.7174.5-17564.6176.6-72-9.4111.5V220 A221 L222 E260 F263 G309 I310 Q315 K316 E317V220-R313 HydrophobicContact CG1-CB 3.47Å; V220-R313 VanDerWaalsContact CG1-CB 3.47Å; V220-R313 HydrophobicContact CG1-CG 3.66Å; A221-R313 WeakPolarHBondContact O-CD 3.39Å; A221-R313 PolarHBondContact O-NH1 3.24Å; L222-R313 WeakPolarHBondContact O-CD 3.44Å; E260-R313 IonicContact OE1-CZ 2.72Å; E260-R313 IonicContact OE1-NH1 2.95Å; E260-R313 PolarHBondContact OE1-NH1 2.89Å; E260-R313 IonicContact OE1-NH2 3.18Å; E260-R313 PolarHBondContact OE1-NH2 3.39Å; E260-R313 IonicContact OE2-CZ 3.14Å; E260-R313 IonicContact OE2-NH1 2.75Å; E260-R313 PolarHBondContact OE2-NH1 3.36Å; E260-R313 IonicContact OE2-NH2 3.87Å; F263-R313 HydrophobicContact CD1-CG 3.86Å; F263-R313 HydrophobicContact CD2-CG 4.5Å; F263-R313 HydrophobicContact CE1-CB 4.17Å; F263-R313 HydrophobicContact CE1-CG 3.37Å; F263-R313 HydrophobicContact CE2-CG 4.06Å; F263-R313 HydrophobicContact CG-CG 4.43Å; F263-R313 HydrophobicContact CZ-CB 3.94Å; F263-R313 HydrophobicContact CZ-CG 3.49Å; F263-R313 VanDerWaalsContact CZ-CG 3.49Å; G309-R313 PolarHBondContact O-N 3.49Å; I310-R313 PolarHBondContact O-N 2.86Å; R313-Q315 VanDerWaalsContact C-N 3.28Å; R313-Q315 PolarHBondContact O-N 3.43Å; R313-K316 PolarHBondContact O-N 3.13Å; R313-E317 HydrophobicContact CG-CG 4.26Å; R313-E317 IonicContact CZ-OE1 2.74Å; R313-E317 IonicContact NE-OE1 2.87Å; R313-E317 PolarHBondContact NE-OE1 3.42Å; R313-E317 IonicContact NH2-OE1 3.69Å; R313-E317 PolarHBondContact NH2-OE1 2.84Å; R313-E317 VanDerWaalsContact O-CG 3.3Å; R313-E317 WeakPolarHBondContact O-CG 3.47Å; R313-E317 PolarHBondContact O-N 3.49Å
314M98.7Very high98Very high0 Ų044.6 Ų44.60%027%0.272CS..Hα-helixtrans-58.6-40.6174.4-71.5-64.9-65.500111.8L154 F263 V275 H276 I310 A311 I318 I330L154-M314 HydrophobicContact CD2-CE 3.79Å; L154-M314 HydrophobicContact CD2-SD 4.17Å; F263-M314 HydrophobicContact CE1-CG 4.35Å; F263-M314 HydrophobicContact CE1-SD 3.73Å; F263-M314 HydrophobicContact CZ-CG 4.22Å; F263-M314 HydrophobicContact CZ-SD 3.97Å; V275-M314 HydrophobicContact CB-SD 4.5Å; V275-M314 HydrophobicContact CG2-SD 3.73Å; H276-M314 HydrophobicContact CB-CE 4.26Å; H276-M314 HydrophobicContact CB-SD 3.9Å; I310-M314 HydrophobicContact CG1-CG 4.34Å; I310-M314 WeakPolarHBondContact O-CB 3.36Å; I310-M314 VanDerWaalsContact O-CG 3.22Å; I310-M314 WeakPolarHBondContact O-CG 3.49Å; I310-M314 PolarHBondContact O-N 3.37Å; A311-M314 PolarHBondContact O-N 3.19Å; M314-I318 HydrophobicContact CE-CD1 3.86Å; M314-I318 HydrophobicContact CE-CG1 4.32Å; M314-I318 WeakPolarHBondContact O-CB 3.42Å; M314-I318 VanDerWaalsContact O-CG1 3.3Å; M314-I318 WeakPolarHBondContact O-CG1 3.49Å; M314-I318 PolarHBondContact O-N 3.43Å; M314-I330 HydrophobicContact CB-CD1 4.11Å; M314-I330 HydrophobicContact CB-CG1 4.11Å
315Q98.6Very high97.8Very high62 Ų6250 Ų5029%0.2931%0.306SS..Hα-helixtrans-61.6-47.4177.3-177.37060.200111A311 D312 R313 T319 I328 I330A311-Q315 VanDerWaalsContact O-CB 3.31Å; A311-Q315 WeakPolarHBondContact O-CB 3.4Å; A311-Q315 PolarHBondContact O-N 2.91Å; D312-Q315 WeakPolarHBondContact O-CB 3.48Å; D312-Q315 PolarHBondContact O-N 3.21Å; R313-Q315 VanDerWaalsContact C-N 3.28Å; R313-Q315 PolarHBondContact O-N 3.43Å; Q315-T319 PolarHBondContact NE2-OG1 3.03Å; Q315-T319 WeakPolarHBondContact O-CB 3.32Å; Q315-T319 PolarHBondContact O-N 3.18Å; Q315-T319 VanDerWaalsContact O-N 3.15Å; Q315-T319 PolarHBondContact O-OG1 3.39Å; Q315-I328 PolarHBondContact NE2-O 3.42Å; Q315-I330 HydrophobicContact CB-CG1 3.75Å; Q315-I330 VanDerWaalsContact OE1-N 3.12Å
316K98.6Very high97.6Very high78 Ų7852.2 Ų52.234%0.33932%0.317SS..Hα-helixtrans-58.9-54.2176.4175.6-177.6168.1-175.80111.1L222 D223 D312 R313 T319 A320L222-K316 HydrophobicContact CD1-CB 4.1Å; L222-K316 HydrophobicContact CD1-CD 3.87Å; L222-K316 HydrophobicContact CG-CD 4.15Å; L222-K316 WeakPolarHBondContact O-CD 3.29Å; L222-K316 PolarHBondContact O-NZ 3.07Å; D223-K316 IonicContact OD2-NZ 3.41Å; D223-K316 PolarHBondContact OD2-NZ 3.21Å; D223-K316 VanDerWaalsContact OD2-NZ 3.14Å; D312-K316 PolarHBondContact O-N 3.21Å; R313-K316 PolarHBondContact O-N 3.13Å; K316-T319 PolarHBondContact O-N 2.76Å; K316-A320 PolarHBondContact O-N 3.47Å; K316-A320 VanDerWaalsContact O-N 3.1Å
317E98.5Very high97.5Very high38 Ų3857.3 Ų57.318%0.17834%0.337CS..Hα-helixtrans-69.2-44.5-171.9-61.3-62.8179.600112.6F263 H276 R313 T319 A320 L321F263-E317 HydrophobicContact CD1-CG 4.33Å; F263-E317 HydrophobicContact CE1-CG 4.45Å; H276-E317 HydrophobicContact CB-CB 3.66Å; H276-E317 HydrophobicContact CB-CG 4.32Å; R313-E317 HydrophobicContact CG-CG 4.26Å; R313-E317 IonicContact CZ-OE1 2.74Å; R313-E317 IonicContact NE-OE1 2.87Å; R313-E317 PolarHBondContact NE-OE1 3.42Å; R313-E317 IonicContact NH2-OE1 3.69Å; R313-E317 PolarHBondContact NH2-OE1 2.84Å; R313-E317 VanDerWaalsContact O-CG 3.3Å; R313-E317 WeakPolarHBondContact O-CG 3.47Å; R313-E317 PolarHBondContact O-N 3.49Å; E317-T319 VanDerWaalsContact C-N 3.29Å; E317-T319 PolarHBondContact O-N 3.09Å; E317-A320 PolarHBondContact O-N 3.06Å; E317-L321 WeakPolarHBondContact O-CG 3.34Å; E317-L321 PolarHBondContact O-N 3.45Å; E317-L321 VanDerWaalsContact O-N 3.12Å
318I98.3Very high97.4Very high0 Ų057.4 Ų57.40%034%0.338CS..Hα-helixtrans-65.1-36.5176.8-62.3-177.2000110.7T279 Y295 T298 M314 A320 L321 A322 I328 I330T279-I318 HydrophobicContact CG2-CD1 3.88Å; Y295-I318 HydrophobicContact CD1-CG2 3.89Å; Y295-I318 HydrophobicContact CE1-CG2 3.81Å; T298-I318 HydrophobicContact CG2-CD1 4.22Å; M314-I318 HydrophobicContact CE-CD1 3.86Å; M314-I318 HydrophobicContact CE-CG1 4.32Å; M314-I318 WeakPolarHBondContact O-CB 3.42Å; M314-I318 VanDerWaalsContact O-CG1 3.3Å; M314-I318 WeakPolarHBondContact O-CG1 3.49Å; M314-I318 PolarHBondContact O-N 3.43Å; I318-A320 VanDerWaalsContact C-N 3.27Å; I318-A320 PolarHBondContact O-N 2.79Å; I318-L321 PolarHBondContact O-N 3.05Å; I318-A322 WeakPolarHBondContact O-CB 3.33Å; I318-A322 PolarHBondContact O-N 3.44Å; I318-I328 HydrophobicContact CB-CG2 4Å; I318-I328 HydrophobicContact CG2-CD1 4.07Å; I318-I328 HydrophobicContact CG2-CG1 4.16Å; I318-I328 HydrophobicContact CG2-CG2 3.69Å; I318-I330 HydrophobicContact CD1-CD1 3.89Å
319T98.1Very high97.4Very high73 Ų7358.3 Ų58.345%0.44833%0.334SS..Hα-helixtrans-63.9-34.2176.6-57.70000111.9Q315 K316 E317Q315-T319 PolarHBondContact NE2-OG1 3.03Å; Q315-T319 WeakPolarHBondContact O-CB 3.32Å; Q315-T319 PolarHBondContact O-N 3.18Å; Q315-T319 VanDerWaalsContact O-N 3.15Å; Q315-T319 PolarHBondContact O-OG1 3.39Å; K316-T319 PolarHBondContact O-N 2.76Å; E317-T319 VanDerWaalsContact C-N 3.29Å; E317-T319 PolarHBondContact O-N 3.09Å
320A98Very high97.4Very high82 Ų8258 Ų5868%0.67833%0.325SS*.Hα-helixtrans-72.1-33.8176.600000112.9K316 E317 I318K316-A320 PolarHBondContact O-N 3.47Å; K316-A320 VanDerWaalsContact O-N 3.1Å; E317-A320 PolarHBondContact O-N 3.06Å; I318-A320 VanDerWaalsContact C-N 3.27Å; I318-A320 PolarHBondContact O-N 2.79Å
321L97.8Very high97.4Very high65 Ų6558.8 Ų58.834%0.3433%0.33SS..Hα-helixtrans-83.1-36.1-180-66.8173.9000113.4E277 F280 E317 I318E277-L321 HydrophobicContact CG-CD1 3.92Å; F280-L321 HydrophobicContact CB-CB 4.45Å; F280-L321 HydrophobicContact CB-CD1 3.97Å; F280-L321 HydrophobicContact CD2-CB 3.69Å; F280-L321 HydrophobicContact CE2-CB 4.05Å; F280-L321 VanDerWaalsContact CE2-O 3.26Å; F280-L321 WeakPolarHBondContact CE2-O 3.26Å; F280-L321 HydrophobicContact CG-CB 3.98Å; F280-L321 HydrophobicContact CG-CD1 4.17Å; E317-L321 WeakPolarHBondContact O-CG 3.34Å; E317-L321 PolarHBondContact O-N 3.45Å; E317-L321 VanDerWaalsContact O-N 3.12Å; I318-L321 PolarHBondContact O-N 3.05Å
322A96.5Very high97.4Very high11 Ų1159.3 Ų59.39%0.09133%0.334CS..SBendtrans-74.3154.2-17500000112.5Y295 I318 S324 M326 I328Y295-A322 HydrophobicContact CD1-CB 4.29Å; Y295-A322 HydrophobicContact CE1-CB 3.74Å; Y295-A322 HydrophobicContact CE2-CB 4.26Å; I318-A322 WeakPolarHBondContact O-CB 3.33Å; I318-A322 PolarHBondContact O-N 3.44Å; A322-S324 PolarHBondContact O-N 2.92Å; A322-M326 HydrophobicContact CB-CB 4.46Å; A322-I328 HydrophobicContact CB-CD1 3.66Å; A322-I328 HydrophobicContact CB-CG1 4.26Å
323P94.6Very high97.3Very high59 Ų5955 Ų5538%0.38331%0.312SS..  trans-55.8138.8172-22.532.3000111.2T325 M326P323-T325 PolarHBondContact O-N 3.16Å; P323-M326 HydrophobicContact CB-CG 4.16Å; P323-M326 HydrophobicContact CG-CG 4.25Å; P323-M326 WeakPolarHBondContact O-CB 3.33Å; P323-M326 PolarHBondContact O-N 3.32Å
324S93.9Very high97.2Very high129 Ų12959.5 Ų59.590%0.90234%0.342SS*.THydrogen-bonded Turntrans-60.6-16.1-17561.60000114.9A322 M326A322-S324 PolarHBondContact O-N 2.92Å; S324-M326 VanDerWaalsContact C-N 3.34Å
325T93.5Very high97Very high123 Ų12363.7 Ų63.776%0.75536%0.362SS*.THydrogen-bonded Turntrans-80.1-14.6174.6560000113.3P323P323-T325 PolarHBondContact O-N 3.16Å
326M94.9Very high96.9Very high47 Ų4762 Ų6223%0.23235%0.353CS..SBendtrans-83.5133-178.8-63-60.6178.500110.6K292 Y295 A322 P323 S324 I328K292-M326 HydrophobicContact CB-SD 4.12Å; Y295-M326 HydrophobicContact CD2-CB 3.95Å; Y295-M326 HydrophobicContact CD2-CG 3.73Å; Y295-M326 HydrophobicContact CD2-SD 4.09Å; Y295-M326 HydrophobicContact CE2-CB 4.47Å; Y295-M326 HydrophobicContact CE2-CG 3.98Å; Y295-M326 HydrophobicContact CG-CB 4.4Å; A322-M326 HydrophobicContact CB-CB 4.46Å; P323-M326 HydrophobicContact CB-CG 4.16Å; P323-M326 HydrophobicContact CG-CG 4.25Å; P323-M326 WeakPolarHBondContact O-CB 3.33Å; P323-M326 PolarHBondContact O-N 3.32Å; S324-M326 VanDerWaalsContact C-N 3.34Å; M326-I328 HydrophobicContact CB-CD1 3.99Å
327K96Very high96.9Very high170 Ų17062.4 Ų62.474%0.73936%0.355SS*.  trans-89.4112.2170.9-177.1177179.8176.70109Y295Y295-K327 CarbonylContact C-O 3.26Å
328I98.1Very high96.8Very high15 Ų1563.3 Ų63.38%0.07736%0.357CS..  trans-88.4132.7178.5-49.1-46.5000109.3Y295 Q315 I318 A322 M326 I330Y295-I328 HydrophobicContact CD1-CD1 3.37Å; Y295-I328 HydrophobicContact CD2-CD1 4.36Å; Y295-I328 HydrophobicContact CE1-CD1 4.11Å; Y295-I328 HydrophobicContact CG-CD1 3.53Å; Y295-I328 WeakPolarHBondContact O-CA 3.5Å; Q315-I328 PolarHBondContact NE2-O 3.42Å; I318-I328 HydrophobicContact CB-CG2 4Å; I318-I328 HydrophobicContact CG2-CD1 4.07Å; I318-I328 HydrophobicContact CG2-CG1 4.16Å; I318-I328 HydrophobicContact CG2-CG2 3.69Å; A322-I328 HydrophobicContact CB-CD1 3.66Å; A322-I328 HydrophobicContact CB-CG1 4.26Å; M326-I328 HydrophobicContact CB-CD1 3.99Å; I328-I330 HydrophobicContact CG2-CD1 4.24Å
329K98.3Very high96.8Very high101 Ų10163.4 Ų63.444%0.43936%0.358SS..  trans-138.7116.5172.4177.9-177.3179.9-179.30110.2Y295 A296 T298 V331Y295-K329 PolarHBondContact O-N 3.33Å; A296-K329 WeakPolarHBondContact O-CB 3.45Å; T298-K329 PolarHBondContact N-O 3.17Å; K329-V331 HydrophobicContact CD-CG2 4.45Å; K329-V331 HydrophobicContact CG-CG2 4.3Å
330I98.6Very high96.8Very high22 Ų2260.4 Ų60.411%0.11334%0.339CS..EExtended strand (participates in β ladder)trans-86.9130.3169.9-49.5-52.6000109.6T298 L300 A311 M314 Q315 I318 I328T298-I330 HydrophobicContact CG2-CD1 3.78Å; T298-I330 CarbonylContact O-C 3.53Å; T298-I330 WeakPolarHBondContact O-CA 3.3Å; L300-I330 HydrophobicContact CD1-CG2 3.83Å; L300-I330 HydrophobicContact CD2-CG2 4.09Å; L300-I330 HydrophobicContact CG-CG2 3.74Å; A311-I330 HydrophobicContact CB-CG2 4.08Å; M314-I330 HydrophobicContact CB-CD1 4.11Å; M314-I330 HydrophobicContact CB-CG1 4.11Å; Q315-I330 HydrophobicContact CB-CG1 3.75Å; Q315-I330 VanDerWaalsContact OE1-N 3.12Å; I318-I330 HydrophobicContact CD1-CD1 3.89Å; I328-I330 HydrophobicContact CG2-CD1 4.24Å
331V98.3Very high96.8Very high20 Ų2056.5 Ų56.512%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-113.1113176.6-178.70000107.7T298 V299 L300 K329 P333T298-V331 PolarHBondContact O-N 2.9Å; V299-V331 CarbonylContact C-O 3.49Å; V299-V331 WeakPolarHBondContact CA-O 3.19Å; V299-V331 HydrophobicContact CG2-CB 4.1Å; V299-V331 HydrophobicContact CG2-CG1 4.47Å; L300-V331 PolarHBondContact N-O 3.05Å; K329-V331 HydrophobicContact CD-CG2 4.45Å; K329-V331 HydrophobicContact CG-CG2 4.3Å; V331-P333 HydrophobicContact CG1-CG 4.38Å
332A98Very high96.8Very high35 Ų3554.7 Ų54.729%0.28930%0.297SS..  trans-124.484.5-179.500000109.9L300 A311L300-A332 HydrophobicContact CB-CB 4.34Å; L300-A332 HydrophobicContact CD1-CB 4Å; L300-A332 HydrophobicContact CG-CB 4.32Å; A311-A332 HydrophobicContact CB-CB 3.88Å
333P96.7Very high96.9Very high16 Ų1654.1 Ų54.110%0.10429%0.293CS..  trans-55.8141.7177.6-23.133.8000111.3V331 E335 R336V331-P333 HydrophobicContact CG1-CG 4.38Å; P333-E335 WeakPolarHBondContact CB-OE1 3.44Å; P333-E335 PolarHBondContact O-N 3.14Å; P333-R336 HydrophobicContact CB-CB 4.23Å; P333-R336 HydrophobicContact CG-CB 4.49Å; P333-R336 WeakPolarHBondContact O-CB 3.46Å; P333-R336 WeakPolarHBondContact O-CD 3.46Å; P333-R336 WeakPolarHBondContact O-CG 3.29Å; P333-R336 PolarHBondContact O-N 3.23Å; P333-R336 VanDerWaalsContact O-N 3.14Å; P333-R336 PolarHBondContact O-NH1 3.48Å
334P96.5Very high97Very high103 Ų10351.3 Ų51.367%0.66927%0.274SS*.THydrogen-bonded Turntrans-57-37.4178.4-25.934.6000113.3R336P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 2.85Å
335E95.5Very high97.2Very high88 Ų8845.4 Ų45.441%0.41123%0.233SC..THydrogen-bonded Turntrans-88.913.6-179.866.3-70.3159.900113.6P333 K337 Y338 I342P333-E335 WeakPolarHBondContact CB-OE1 3.44Å; P333-E335 PolarHBondContact O-N 3.14Å; E335-K337 PolarHBondContact O-N 3.48Å; E335-Y338 WeakPolarHBondContact O-CA 3.36Å; E335-Y338 PolarHBondContact O-N 2.85Å; E335-I342 HydrophobicContact CB-CD1 4.3Å; E335-I342 HydrophobicContact CG-CD1 3.59Å
336R97.3Very high97.3Very high27 Ų2743.1 Ų43.110%0.10222%0.215CC..G310 helixtrans-58.6-17.1-171.967.4-170.7172.6-77.21.7116.8L300 G302 T305 M306 P333 P334 Y338 S339L300-R336 WeakPolarHBondContact O-CB 3.43Å; G302-R336 PolarHBondContact N-O 3.38Å; G302-R336 VanDerWaalsContact N-O 3.13Å; T305-R336 VanDerWaalsContact O-CZ 3.25Å; T305-R336 PolarHBondContact O-NE 3.48Å; T305-R336 PolarHBondContact O-NH2 3.09Å; T305-R336 WeakPolarHBondContact OG1-CD 3.45Å; T305-R336 PolarHBondContact OG1-NE 3.23Å; M306-R336 HydrophobicContact SD-CG 3.47Å; M306-R336 WeakPolarHBondContact SD-CG 3.25Å; P333-R336 HydrophobicContact CB-CB 4.23Å; P333-R336 HydrophobicContact CG-CB 4.49Å; P333-R336 WeakPolarHBondContact O-CB 3.46Å; P333-R336 WeakPolarHBondContact O-CD 3.46Å; P333-R336 WeakPolarHBondContact O-CG 3.29Å; P333-R336 PolarHBondContact O-N 3.23Å; P333-R336 VanDerWaalsContact O-N 3.14Å; P333-R336 PolarHBondContact O-NH1 3.48Å; P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 2.85Å; R336-Y338 PolarHBondContact O-N 2.87Å; R336-S339 VanDerWaalsContact CA-OG 3.29Å; R336-S339 WeakPolarHBondContact CA-OG 3.4Å; R336-S339 PolarHBondContact O-N 3.15Å
337K96.9Very high97.2Very high87 Ų8741.8 Ų41.838%0.37821%0.209SC..G310 helixtrans-60.8-19.8167.157.3167.8174.2167.90113.3K19 M306 E335K19-K337 WeakPolarHBondContact CE-O 3.46Å; M306-K337 HydrophobicContact CE-CG 4.36Å; M306-K337 HydrophobicContact CG-CB 3.96Å; M306-K337 HydrophobicContact SD-CB 3.93Å; M306-K337 HydrophobicContact SD-CG 4.22Å; E335-K337 PolarHBondContact O-N 3.48Å
338Y97.7Very high97.2Very high57 Ų5733.8 Ų33.822%0.22418%0.175CC..G310 helixtrans-115.53.7-179.9-52.3-36000113K19 P28 V31 E335 R336 V340 W341 I342K19-Y338 HydrophobicContact CD-CD1 3.71Å; K19-Y338 HydrophobicContact CD-CE1 4.27Å; P28-Y338 HydrophobicContact CG-CD1 4.28Å; P28-Y338 HydrophobicContact CG-CG 4.31Å; V31-Y338 HydrophobicContact CG2-CE1 4.18Å; E335-Y338 WeakPolarHBondContact O-CA 3.36Å; E335-Y338 PolarHBondContact O-N 2.85Å; R336-Y338 PolarHBondContact O-N 2.87Å; Y338-V340 PolarHBondContact O-N 2.94Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; Y338-W341 PolarHBondContact O-N 3Å; Y338-I342 WeakPolarHBondContact O-CG1 3.35Å; Y338-I342 PolarHBondContact O-N 3.45Å
339S98Very high96.9Very high2 Ų236.1 Ų36.11%0.01419%0.193CC..Hα-helixtrans-52.9-40.4-175.8-79.70000113.5S142 A145 R336 W341 I342 G343S142-S339 WeakPolarHBondContact OG-CB 3.4Å; A145-S339 VanDerWaalsContact CB-O 3.25Å; A145-S339 WeakPolarHBondContact CB-O 3.29Å; R336-S339 VanDerWaalsContact CA-OG 3.29Å; R336-S339 WeakPolarHBondContact CA-OG 3.4Å; R336-S339 PolarHBondContact O-N 3.15Å; S339-W341 PolarHBondContact O-N 2.96Å; S339-I342 PolarHBondContact O-N 2.91Å; S339-G343 PolarHBondContact O-N 3.33Å
340V98.2Very high96.6Very high9 Ų934.9 Ų34.96%0.05519%0.19CC..Hα-helixtrans-57.5-51.6176.8173.80000111D12 T107 Q138 L141 S142 Y338 G343 G344D12-V340 HydrophobicContact CB-CG1 4.03Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.49Å; T107-V340 HydrophobicContact CG2-CG1 3.76Å; Q138-V340 HydrophobicContact CB-CG1 3.97Å; Q138-V340 HydrophobicContact CB-CG2 3.87Å; Q138-V340 HydrophobicContact CG-CG1 3.76Å; Q138-V340 HydrophobicContact CG-CG2 4.34Å; L141-V340 WeakPolarHBondContact CB-O 3.37Å; L141-V340 HydrophobicContact CD1-CG1 4.45Å; S142-V340 WeakPolarHBondContact OG-CG2 3.27Å; S142-V340 PolarHBondContact OG-N 2.8Å; Y338-V340 PolarHBondContact O-N 2.94Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; V340-G343 PolarHBondContact O-N 2.92Å; V340-G344 PolarHBondContact O-N 3.41Å
341W98.5Very high96.1Very high0 Ų038.3 Ų38.30%022%0.216CC..Hα-helixtrans-67.2-42.9-178.5-176.491.6000111.3V10 D12 K19 D25 A27 P28 Y338 S339 G343 G344 S345V10-W341 HydrophobicContact CG1-CG 4.22Å; V10-W341 PolarHBondContact O-NE1 2.83Å; D12-W341 HydrophobicContact CB-CB 4.24Å; K19-W341 HydrophobicContact CB-CB 4.46Å; K19-W341 HydrophobicContact CB-CG 4.47Å; D25-W341 HydrophobicContact CB-CH2 3.89Å; D25-W341 WeakPolarHBondContact O-CH2 3.43Å; D25-W341 WeakPolarHBondContact O-CZ3 3.01Å; A27-W341 VanDerWaalsContact C-CH2 3.43Å; A27-W341 VanDerWaalsContact O-CH2 3.29Å; A27-W341 WeakPolarHBondContact O-CH2 3.46Å; P28-W341 HydrophobicContact CB-CD2 3.76Å; P28-W341 HydrophobicContact CB-CE3 4.23Å; P28-W341 HydrophobicContact CB-CG 4Å; P28-W341 HydrophobicContact CB-CZ2 4.49Å; P28-W341 HydrophobicContact CG-CD2 4.32Å; P28-W341 HydrophobicContact CG-CE3 4.43Å; Y338-W341 PolarHBondContact O-N 3Å; S339-W341 PolarHBondContact O-N 2.96Å; W341-G343 VanDerWaalsContact C-N 3.3Å; W341-G343 PolarHBondContact O-N 3.39Å; W341-G344 PolarHBondContact O-N 2.8Å; W341-S345 WeakPolarHBondContact O-CB 3.12Å; W341-S345 PolarHBondContact O-N 2.92Å
342I98Very high95.6Very high27 Ų2742.7 Ų42.714%0.13824%0.243CC..Hα-helixtrans-60.3-42.6176.4-66.4168.2000110.3A145 E335 Y338 S339 G344 S345 I346A145-I342 HydrophobicContact CB-CB 4.12Å; A145-I342 HydrophobicContact CB-CG2 3.91Å; E335-I342 HydrophobicContact CB-CD1 4.3Å; E335-I342 HydrophobicContact CG-CD1 3.59Å; Y338-I342 WeakPolarHBondContact O-CG1 3.35Å; Y338-I342 PolarHBondContact O-N 3.45Å; S339-I342 PolarHBondContact O-N 2.91Å; I342-G344 PolarHBondContact O-N 3.48Å; I342-S345 WeakPolarHBondContact O-CB 3.37Å; I342-S345 PolarHBondContact O-N 3.48Å; I342-I346 HydrophobicContact CG2-CD1 3.9Å; I342-I346 WeakPolarHBondContact O-CG1 3.49Å; I342-I346 PolarHBondContact O-N 2.95Å
343G97.4Very high95.2Very high0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-62.7-41.117600000113L141 S339 V340 W341 L347L141-G343 VanDerWaalsContact O-CA 3.22Å; L141-G343 WeakPolarHBondContact O-CA 3.3Å; S339-G343 PolarHBondContact O-N 3.33Å; V340-G343 PolarHBondContact O-N 2.92Å; W341-G343 VanDerWaalsContact C-N 3.3Å; W341-G343 PolarHBondContact O-N 3.39Å; G343-L347 VanDerWaalsContact O-CB 3.28Å; G343-L347 WeakPolarHBondContact O-CB 3.36Å; G343-L347 PolarHBondContact O-N 3.21Å
344G97.4Very high94.7Very high0 Ų044.3 Ų44.30%024%0.243CC..Hα-helixtrans-63.6-41.4172.400000112.6V340 W341 I342 L347 A348V340-G344 PolarHBondContact O-N 3.41Å; W341-G344 PolarHBondContact O-N 2.8Å; I342-G344 PolarHBondContact O-N 3.48Å; G344-L347 PolarHBondContact O-N 3.4Å; G344-A348 VanDerWaalsContact O-CB 3.25Å; G344-A348 WeakPolarHBondContact O-CB 3.44Å; G344-A348 PolarHBondContact O-N 3.24Å
345S97.4Very high94.4Very high5 Ų547.5 Ų47.54%0.03525%0.249CC..Hα-helixtrans-60.4-50.3176.4-178.70000110.7G24 D25 W341 I342 S349G24-S345 PolarHBondContact N-OG 2.99Å; D25-S345 PolarHBondContact O-OG 2.79Å; D25-S345 VanDerWaalsContact O-OG 3.05Å; W341-S345 WeakPolarHBondContact O-CB 3.12Å; W341-S345 PolarHBondContact O-N 2.92Å; I342-S345 WeakPolarHBondContact O-CB 3.37Å; I342-S345 PolarHBondContact O-N 3.48Å; S345-S349 WeakPolarHBondContact O-CB 3.47Å; S345-S349 PolarHBondContact O-N 3.07Å; S345-S349 VanDerWaalsContact O-N 3.14Å; S345-S349 PolarHBondContact O-OG 2.98Å; S345-S349 VanDerWaalsContact O-OG 3.05Å
346I95.1Very high94.3Very high74 Ų7446.6 Ų46.638%0.37925%0.246SC..Hα-helixtrans-59.2-51.7176.1-67.5164.7000110.6I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.9Å; I342-I346 WeakPolarHBondContact O-CG1 3.49Å; I342-I346 PolarHBondContact O-N 2.95Å; I346-A348 PolarHBondContact O-N 2.94Å; I346-S349 PolarHBondContact O-N 3.44Å; I346-L350 WeakPolarHBondContact O-CG 3.27Å; I346-L350 PolarHBondContact O-N 2.73Å
347L94.6Very high94.2Very high19 Ų1946 Ų4610%0.09924%0.244CC..Hα-helixtrans-59.4-47.5-176.4-178.364.3000111.7L105 Y134 L141 G343 G344 S349 L350 F353L105-L347 HydrophobicContact CD1-CD2 4.24Å; Y134-L347 HydrophobicContact CE1-CD2 4.46Å; L141-L347 HydrophobicContact CD2-CB 4.34Å; L141-L347 HydrophobicContact CD2-CD2 3.56Å; G343-L347 VanDerWaalsContact O-CB 3.28Å; G343-L347 WeakPolarHBondContact O-CB 3.36Å; G343-L347 PolarHBondContact O-N 3.21Å; G344-L347 PolarHBondContact O-N 3.4Å; L347-S349 PolarHBondContact O-N 3.29Å; L347-L350 HydrophobicContact CD1-CD1 4.36Å; L347-L350 WeakPolarHBondContact O-CB 3.26Å; L347-L350 PolarHBondContact O-N 2.75Å; L347-L350 VanDerWaalsContact O-N 3.16Å; L347-F353 HydrophobicContact CD1-CB 4.48Å; L347-F353 HydrophobicContact CD1-CD2 3.54Å; L347-F353 HydrophobicContact CD1-CE2 3.96Å; L347-F353 HydrophobicContact CD1-CG 4.12Å; L347-F353 HydrophobicContact CD2-CD2 4.12Å; L347-F353 HydrophobicContact CD2-CE2 3.64Å; L347-F353 HydrophobicContact CD2-CZ 4.06Å; L347-F353 HydrophobicContact CG-CD1 4.47Å; L347-F353 HydrophobicContact CG-CD2 3.59Å; L347-F353 HydrophobicContact CG-CE1 4.47Å; L347-F353 HydrophobicContact CG-CE2 3.61Å; L347-F353 HydrophobicContact CG-CG 4.03Å; L347-F353 HydrophobicContact CG-CZ 4.05Å; L347-F353 WeakPolarHBondContact O-CB 3.3Å; L347-F353 WeakPolarHBondContact O-CD1 3.23Å; L347-F353 VanDerWaalsContact O-CG 3.3Å; L347-F353 WeakPolarHBondContact O-CG 3.43Å
348A95Very high94.3Very high3 Ų341.9 Ų41.93%0.02523%0.226CC..Hα-helixtrans-67.4-22.3-179.700000113.3A8 V10 A23 L105 G344 I346 W357A8-A348 HydrophobicContact CB-CB 4.16Å; V10-A348 HydrophobicContact CG2-CB 4.35Å; A23-A348 HydrophobicContact CB-CB 3.6Å; L105-A348 HydrophobicContact CD1-CB 4.23Å; G344-A348 VanDerWaalsContact O-CB 3.25Å; G344-A348 WeakPolarHBondContact O-CB 3.44Å; G344-A348 PolarHBondContact O-N 3.24Å; I346-A348 PolarHBondContact O-N 2.94Å; A348-W357 HydrophobicContact CB-CH2 4.33Å; A348-W357 HydrophobicContact CB-CZ2 4.06Å
349S92.2Very high94.3Very high64 Ų6441 Ų4145%0.44823%0.228SC..THydrogen-bonded Turntrans-86.1-6.4174.6-640000114.4G24 S345 I346 L347G24-S349 WeakPolarHBondContact CA-OG 3.42Å; G24-S349 PolarHBondContact N-OG 3.01Å; S345-S349 WeakPolarHBondContact O-CB 3.47Å; S345-S349 PolarHBondContact O-N 3.07Å; S345-S349 VanDerWaalsContact O-N 3.14Å; S345-S349 PolarHBondContact O-OG 2.98Å; S345-S349 VanDerWaalsContact O-OG 3.05Å; I346-S349 PolarHBondContact O-N 3.44Å; L347-S349 PolarHBondContact O-N 3.29Å
350L90.7Very high94.2Very high74 Ų7443.7 Ų43.739%0.38724%0.239SC..  trans-76.3127.7176.7-64.2177.5000110.8I346 L347 T352 F353I346-L350 WeakPolarHBondContact O-CG 3.27Å; I346-L350 PolarHBondContact O-N 2.73Å; L347-L350 HydrophobicContact CD1-CD1 4.36Å; L347-L350 WeakPolarHBondContact O-CB 3.26Å; L347-L350 PolarHBondContact O-N 2.75Å; L347-L350 VanDerWaalsContact O-N 3.16Å; L350-T352 PolarHBondContact O-N 3.02Å; L350-F353 HydrophobicContact CB-CB 4.03Å; L350-F353 VanDerWaalsContact O-CB 3.29Å; L350-F353 WeakPolarHBondContact O-CB 3.24Å; L350-F353 PolarHBondContact O-N 2.81Å
351S88.3Confident94.2Very high95 Ų9549.5 Ų49.566%0.66427%0.266SS*.G310 helixtrans-59.7-33.3175.757.30000112.8F353 Q354S351-F353 PolarHBondContact O-N 3.5Å; S351-Q354 WeakPolarHBondContact O-CB 3.17Å; S351-Q354 WeakPolarHBondContact O-CG 3.3Å; S351-Q354 PolarHBondContact O-N 2.86Å
352T87.4Confident94.2Very high112 Ų11251.8 Ų51.869%0.68728%0.277SS*.G310 helixtrans-68.1-22.1175.152.40000113.1L350 Q354L350-T352 PolarHBondContact O-N 3.02Å; T352-Q354 VanDerWaalsContact C-N 3.32Å
353F89.6Confident94.2Very high8 Ų851.1 Ų51.14%0.03527%0.272CS..G310 helixtrans-78.4-17.2178.2-177-104000112.6L105 Y134 L347 L350 S351 Q355 M356 W357L105-F353 HydrophobicContact CD1-CE1 4.29Å; L105-F353 HydrophobicContact CD1-CZ 4.1Å; Y134-F353 HydrophobicContact CD1-CE2 4.11Å; Y134-F353 AromaticContact CD1-CZ 3.62Å; Y134-F353 HydrophobicContact CD1-CZ 3.62Å; Y134-F353 HydrophobicContact CD2-CE2 4.11Å; Y134-F353 AromaticContact CD2-CZ 3.81Å; Y134-F353 HydrophobicContact CD2-CZ 3.81Å; Y134-F353 HydrophobicContact CE1-CE2 4.06Å; Y134-F353 HydrophobicContact CE1-CZ 4.05Å; Y134-F353 HydrophobicContact CE2-CE2 4.05Å; Y134-F353 HydrophobicContact CE2-CZ 4.22Å; Y134-F353 HydrophobicContact CG-CE2 4.15Å; Y134-F353 AromaticContact CG-CZ 3.5Å; Y134-F353 HydrophobicContact CG-CZ 3.5Å; L347-F353 HydrophobicContact CD1-CB 4.48Å; L347-F353 HydrophobicContact CD1-CD2 3.54Å; L347-F353 HydrophobicContact CD1-CE2 3.96Å; L347-F353 HydrophobicContact CD1-CG 4.12Å; L347-F353 HydrophobicContact CD2-CD2 4.12Å; L347-F353 HydrophobicContact CD2-CE2 3.64Å; L347-F353 HydrophobicContact CD2-CZ 4.06Å; L347-F353 HydrophobicContact CG-CD1 4.47Å; L347-F353 HydrophobicContact CG-CD2 3.59Å; L347-F353 HydrophobicContact CG-CE1 4.47Å; L347-F353 HydrophobicContact CG-CE2 3.61Å; L347-F353 HydrophobicContact CG-CG 4.03Å; L347-F353 HydrophobicContact CG-CZ 4.05Å; L347-F353 WeakPolarHBondContact O-CB 3.3Å; L347-F353 WeakPolarHBondContact O-CD1 3.23Å; L347-F353 VanDerWaalsContact O-CG 3.3Å; L347-F353 WeakPolarHBondContact O-CG 3.43Å; L350-F353 HydrophobicContact CB-CB 4.03Å; L350-F353 VanDerWaalsContact O-CB 3.29Å; L350-F353 WeakPolarHBondContact O-CB 3.24Å; L350-F353 PolarHBondContact O-N 2.81Å; S351-F353 PolarHBondContact O-N 3.5Å; F353-Q355 PolarHBondContact O-N 2.73Å; F353-M356 HydrophobicContact CD2-CB 3.75Å; F353-M356 HydrophobicContact CD2-CG 3.98Å; F353-M356 HydrophobicContact CE2-CB 3.74Å; F353-M356 HydrophobicContact CE2-CG 4.33Å; F353-M356 HydrophobicContact CG-CB 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.38Å; F353-M356 VanDerWaalsContact O-CB 3.3Å; F353-M356 WeakPolarHBondContact O-CB 3.29Å; F353-M356 PolarHBondContact O-N 3.3Å; F353-W357 AromaticContact CD1-CE2 3.94Å; F353-W357 HydrophobicContact CD1-CZ2 4.12Å; F353-W357 AromaticContact CD1-NE1 3.96Å; F353-W357 AromaticContact CE1-CD2 3.96Å; F353-W357 HydrophobicContact CE1-CD2 3.96Å; F353-W357 AromaticContact CE1-CE2 3.59Å; F353-W357 HydrophobicContact CE1-CE3 4.31Å; 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 4.33Å
354Q86.6Confident94.2Very high77 Ų7756 Ų5636%0.3630%0.299SS..G310 helixtrans-58.4-25-176.6-62.7-58-25.600113.8S351 T352 W357S351-Q354 WeakPolarHBondContact O-CB 3.17Å; S351-Q354 WeakPolarHBondContact O-CG 3.3Å; S351-Q354 PolarHBondContact O-N 2.86Å; T352-Q354 VanDerWaalsContact C-N 3.32Å; Q354-W357 VanDerWaalsContact OE1-NE1 3.07Å
355Q89.8Confident94.2Very high169 Ų16962.6 Ų62.679%0.7933%0.329SS*.G310 helixtrans-83.5-11.1177.4-52.5-16617.900114F353 K374F353-Q355 PolarHBondContact O-N 2.73Å; Q355-K374 PolarHBondContact O-NZ 3Å
356M93.5Very high94.2Very high69 Ų6965 Ų6534%0.3435%0.346SS..THydrogen-bonded Turntrans-87.4-20.3-178.4-63.4-58.9-62.400112.8Y134 F353 K374Y134-M356 HydrophobicContact CD2-CB 4.43Å; Y134-M356 WeakPolarHBondContact CD2-O 3.37Å; Y134-M356 HydrophobicContact CE2-CB 4.21Å; Y134-M356 HydrophobicContact CE2-CE 4.47Å; F353-M356 HydrophobicContact CD2-CB 3.75Å; F353-M356 HydrophobicContact CD2-CG 3.98Å; F353-M356 HydrophobicContact CE2-CB 3.74Å; F353-M356 HydrophobicContact CE2-CG 4.33Å; F353-M356 HydrophobicContact CG-CB 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.38Å; F353-M356 VanDerWaalsContact O-CB 3.3Å; F353-M356 WeakPolarHBondContact O-CB 3.29Å; F353-M356 PolarHBondContact O-N 3.3Å; M356-K374 WeakPolarHBondContact CE-O 3.48Å
357W96.5Very high94.3Very high15 Ų1562.5 Ų62.56%0.05734%0.339CS..SBendtrans-53.4141.1173-69.2120.5000111A8 P103 L105 A132 A348 F353 Q354A8-W357 HydrophobicContact CB-CH2 3.88Å; A8-W357 HydrophobicContact CB-CZ2 3.66Å; P103-W357 HydrophobicContact CB-CD2 4.37Å; P103-W357 HydrophobicContact CB-CE3 4.38Å; P103-W357 HydrophobicContact CB-CH2 4.05Å; P103-W357 HydrophobicContact CB-CZ2 4.02Å; P103-W357 HydrophobicContact CB-CZ3 4.24Å; L105-W357 HydrophobicContact CB-CH2 3.88Å; L105-W357 HydrophobicContact CB-CZ3 4.16Å; A132-W357 HydrophobicContact CB-CB 4.11Å; A132-W357 HydrophobicContact CB-CG 4.44Å; A348-W357 HydrophobicContact CB-CH2 4.33Å; A348-W357 HydrophobicContact CB-CZ2 4.06Å; F353-W357 AromaticContact CD1-CE2 3.94Å; F353-W357 HydrophobicContact CD1-CZ2 4.12Å; F353-W357 AromaticContact CD1-NE1 3.96Å; F353-W357 AromaticContact CE1-CD2 3.96Å; F353-W357 HydrophobicContact CE1-CD2 3.96Å; F353-W357 AromaticContact CE1-CE2 3.59Å; F353-W357 HydrophobicContact CE1-CE3 4.31Å; 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 4.33Å; Q354-W357 VanDerWaalsContact OE1-NE1 3.07Å
358I98Very high94.4Very high0 Ų063.3 Ų63.30%035%0.345CS..EExtended strand (participates in β ladder)trans-86.3117.9163.7-58.6161.9000105.2F125 A132 M133 E362 I370 V371 K374F125-I358 HydrophobicContact CE2-CB 4.48Å; F125-I358 HydrophobicContact CE2-CG2 3.82Å; F125-I358 HydrophobicContact CZ-CB 4.32Å; F125-I358 HydrophobicContact CZ-CG2 3.87Å; F125-I358 WeakPolarHBondContact CZ-O 3.3Å; A132-I358 CarbonylContact C-O 3.59Å; A132-I358 WeakPolarHBondContact CA-O 3.28Å; A132-I358 WeakPolarHBondContact CB-O 3.25Å; M133-I358 PolarHBondContact N-O 3.36Å; M133-I358 WeakPolarHBondContact O-CB 3.49Å; M133-I358 PolarHBondContact O-N 2.55Å; I358-E362 HydrophobicContact CG2-CB 4.47Å; I358-I370 HydrophobicContact CD1-CG2 4.33Å; I358-I370 HydrophobicContact CG2-CB 4.49Å; I358-I370 HydrophobicContact CG2-CG1 4.03Å; I358-I370 HydrophobicContact CG2-CG2 3.57Å; I358-V371 HydrophobicContact CD1-CB 4.16Å; I358-V371 HydrophobicContact CD1-CG2 4.25Å; I358-K374 HydrophobicContact CD1-CB 4.21Å; I358-K374 HydrophobicContact CG1-CB 3.75Å; I358-K374 HydrophobicContact CG1-CG 4.09Å
359S97.6Very high94.5Very high38 Ų3864.5 Ų64.527%0.26636%0.358SS..EExtended strand (participates in β ladder)trans-81.4157.7174.361.80000111.6Q361 E362 Y363S359-Q361 PolarHBondContact O-N 2.8Å; S359-E362 PolarHBondContact N-OE2 2.84Å; S359-E362 PolarHBondContact O-N 2.73Å; S359-E362 VanDerWaalsContact OG-CG 3.31Å; S359-E362 WeakPolarHBondContact OG-CG 3.32Å; S359-E362 PolarHBondContact OG-N 3.34Å; S359-E362 PolarHBondContact OG-OE2 3.19Å; S359-Y363 PolarHBondContact O-N 2.9Å
360K97.5Very high94.8Very high59 Ų5962 Ų6226%0.25734%0.339SS..Hα-helixtrans-54-38.5171.9-179.964.7-176.6175.20112.1F125 P131 Y363 D364F125-K360 HydrophobicContact CB-CD 4.11Å; F125-K360 HydrophobicContact CD1-CB 4.12Å; F125-K360 HydrophobicContact CD1-CD 3.54Å; F125-K360 HydrophobicContact CD1-CG 4.44Å; F125-K360 VanDerWaalsContact CE1-CA 3.5Å; F125-K360 HydrophobicContact CE1-CB 4.01Å; F125-K360 HydrophobicContact CE1-CD 4.28Å; F125-K360 HydrophobicContact CG-CD 4.12Å; F125-K360 PolarHBondContact O-NZ 3.43Å; P131-K360 PolarHBondContact O-N 3.13Å; K360-Y363 HydrophobicContact CD-CD1 4.35Å; K360-Y363 WeakPolarHBondContact O-CB 3.37Å; K360-Y363 PolarHBondContact O-N 3.35Å; K360-D364 VanDerWaalsContact CE-OD1 3.23Å; K360-D364 WeakPolarHBondContact CE-OD1 3.11Å; K360-D364 IonicContact NZ-OD1 3.36Å; K360-D364 PolarHBondContact NZ-OD1 2.99Å; K360-D364 VanDerWaalsContact O-CG 3.22Å; K360-D364 PolarHBondContact O-N 2.82Å
361Q97.3Very high95.1Very high131 Ų13158.4 Ų58.461%0.61232%0.32SS*.Hα-helixtrans-62.6-49.5176.3-176.3-176-9.700112.3S359 Y363 D364 E365S359-Q361 PolarHBondContact O-N 2.8Å; Q361-Y363 PolarHBondContact O-N 2.95Å; Q361-D364 PolarHBondContact O-N 3.42Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.18Å; Q361-E365 PolarHBondContact NE2-OE1 3.38Å; Q361-E365 WeakPolarHBondContact O-CG 3.5Å; Q361-E365 PolarHBondContact O-N 2.94Å
362E97.7Very high95.5Very high49 Ų4955.8 Ų55.823%0.22930%0.297CS..Hα-helixtrans-60.6-36.3178.1-74.7168.2125.300111.8I358 S359 S366 I370 K374I358-E362 HydrophobicContact CG2-CB 4.47Å; S359-E362 PolarHBondContact N-OE2 2.84Å; S359-E362 PolarHBondContact O-N 2.73Å; S359-E362 VanDerWaalsContact OG-CG 3.31Å; S359-E362 WeakPolarHBondContact OG-CG 3.32Å; S359-E362 PolarHBondContact OG-N 3.34Å; S359-E362 PolarHBondContact OG-OE2 3.19Å; E362-S366 WeakPolarHBondContact O-CB 3.31Å; E362-S366 PolarHBondContact O-N 2.97Å; E362-I370 HydrophobicContact CB-CG1 4.4Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 2.73Å; E362-K374 PolarHBondContact OE1-NZ 2.96Å; E362-K374 IonicContact OE2-NZ 2.88Å
363Y98.1Very high95.8Very high12 Ų1258.7 Ų58.75%0.04730%0.296CS..Hα-helixtrans-65.6-46.7173.6168.8-94.7000112.4T121 F125 E126 S359 K360 Q361 E365 S366 G367 P368T121-Y363 HydrophobicContact CG2-CD2 3.81Å; T121-Y363 HydrophobicContact CG2-CE2 4.13Å; F125-Y363 HydrophobicContact CB-CD1 3.65Å; F125-Y363 HydrophobicContact CB-CD2 4.38Å; F125-Y363 HydrophobicContact CB-CE1 3.69Å; F125-Y363 HydrophobicContact CB-CE2 4.4Å; F125-Y363 HydrophobicContact CB-CG 4.01Å; F125-Y363 AromaticContact CD2-CD1 3.88Å; F125-Y363 HydrophobicContact CD2-CD1 3.88Å; F125-Y363 AromaticContact CD2-CD2 3.43Å; F125-Y363 HydrophobicContact CD2-CD2 3.43Å; F125-Y363 VanDerWaalsContact CD2-CD2 3.43Å; F125-Y363 HydrophobicContact CD2-CE1 4.47Å; F125-Y363 HydrophobicContact CD2-CE2 4.06Å; F125-Y363 AromaticContact CD2-CG 3.31Å; F125-Y363 HydrophobicContact CD2-CG 3.31Å; F125-Y363 AromaticContact CE2-CD2 3.99Å; F125-Y363 HydrophobicContact CE2-CD2 3.99Å; F125-Y363 AromaticContact CE2-CG 3.81Å; F125-Y363 HydrophobicContact CE2-CG 3.81Å; F125-Y363 AromaticContact CG-CD1 3.81Å; F125-Y363 HydrophobicContact CG-CD1 3.81Å; F125-Y363 HydrophobicContact CG-CD2 4.2Å; F125-Y363 HydrophobicContact CG-CE1 4.33Å; F125-Y363 AromaticContact CG-CG 3.73Å; F125-Y363 HydrophobicContact CG-CG 3.73Å; E126-Y363 HydrophobicContact CG-CE1 4.33Å; E126-Y363 VanDerWaalsContact CG-OH 3.3Å; E126-Y363 WeakPolarHBondContact CG-OH 3.36Å; E126-Y363 PolarHBondContact OE1-OH 3.19Å; S359-Y363 PolarHBondContact O-N 2.9Å; K360-Y363 HydrophobicContact CD-CD1 4.35Å; K360-Y363 WeakPolarHBondContact O-CB 3.37Å; K360-Y363 PolarHBondContact O-N 3.35Å; Q361-Y363 PolarHBondContact O-N 2.95Å; Y363-E365 PolarHBondContact O-N 3.15Å; Y363-S366 PolarHBondContact O-N 3.19Å; Y363-G367 WeakPolarHBondContact O-CA 3.31Å; Y363-G367 PolarHBondContact O-N 2.97Å; Y363-P368 HydrophobicContact CE2-CB 4.38Å; Y363-P368 HydrophobicContact CE2-CG 3.93Å
364D98Very high96Very high104 Ų10460.6 Ų60.656%0.55630%0.304SS*.Hα-helixtrans-63.9-30.2179.6-67.1-22.8000111.5K360 Q361K360-D364 VanDerWaalsContact CE-OD1 3.23Å; K360-D364 WeakPolarHBondContact CE-OD1 3.11Å; K360-D364 IonicContact NZ-OD1 3.36Å; K360-D364 PolarHBondContact NZ-OD1 2.99Å; K360-D364 VanDerWaalsContact O-CG 3.22Å; K360-D364 PolarHBondContact O-N 2.82Å; Q361-D364 PolarHBondContact O-N 3.42Å
365E97.7Very high96.2Very high138 Ų13857 Ų5765%0.64529%0.287SS*.Hα-helixtrans-79.6-40.1177.1-70.7175.6-16700113.9Q361 Y363Q361-E365 WeakPolarHBondContact CG-OE1 3.18Å; Q361-E365 PolarHBondContact NE2-OE1 3.38Å; Q361-E365 WeakPolarHBondContact O-CG 3.5Å; Q361-E365 PolarHBondContact O-N 2.94Å; Y363-E365 PolarHBondContact O-N 3.15Å
366S97.1Very high95.8Very high55 Ų5556.3 Ų56.339%0.38528%0.282SS..Hα-helixtrans-109-10.9-171.4-66.50000114.7E362 Y363E362-S366 WeakPolarHBondContact O-CB 3.31Å; E362-S366 PolarHBondContact O-N 2.97Å; Y363-S366 PolarHBondContact O-N 3.19Å
367G97.5Very high96Very high22 Ų2255.7 Ų55.723%0.22728%0.279CS..  trans67.4-170.7-171.700000114Y363 G369 I370Y363-G367 WeakPolarHBondContact O-CA 3.31Å; Y363-G367 PolarHBondContact O-N 2.97Å; G367-G369 PolarHBondContact O-N 3.31Å; G367-I370 VanDerWaalsContact O-CG2 3.26Å; G367-I370 WeakPolarHBondContact O-CG2 3.16Å; G367-I370 PolarHBondContact O-N 3.36Å
368P97.1Very high95.9Very high36 Ų3657.8 Ų57.823%0.23429%0.291CS..G310 helixtrans-56.7-26.5-176.2-2633.1000115.3E118 Q122 Y363 I370 V371E118-P368 HydrophobicContact CB-CB 3.74Å; E118-P368 HydrophobicContact CG-CB 4.02Å; Q122-P368 HydrophobicContact CB-CG 4.33Å; Y363-P368 HydrophobicContact CE2-CB 4.38Å; Y363-P368 HydrophobicContact CE2-CG 3.93Å; P368-I370 PolarHBondContact O-N 3.05Å; P368-I370 VanDerWaalsContact O-N 3.13Å; P368-V371 WeakPolarHBondContact O-CG1 3.43Å; P368-V371 PolarHBondContact O-N 3.17Å
369G97.2Very high95.8Very high28 Ų2861.1 Ų61.129%0.28931%0.307SS..G310 helixtrans-66.5-10.9-178.500000114.8G367 V371 H372G367-G369 PolarHBondContact O-N 3.31Å; G369-V371 PolarHBondContact O-N 3.18Å; G369-H372 PolarHBondContact O-CD2 3.09Å; G369-H372 PolarHBondContact O-N 2.89Å
370I97.6Very high95.7Very high10 Ų1062.4 Ų62.45%0.05131%0.31CS..G310 helixtrans-56.4-30.5175.2-170.958.1000112.6T121 I358 E362 G367 P368 H372 R373 K374T121-I370 HydrophobicContact CG2-CG2 4.38Å; I358-I370 HydrophobicContact CD1-CG2 4.33Å; I358-I370 HydrophobicContact CG2-CB 4.49Å; I358-I370 HydrophobicContact CG2-CG1 4.03Å; I358-I370 HydrophobicContact CG2-CG2 3.57Å; E362-I370 HydrophobicContact CB-CG1 4.4Å; G367-I370 VanDerWaalsContact O-CG2 3.26Å; G367-I370 WeakPolarHBondContact O-CG2 3.16Å; G367-I370 PolarHBondContact O-N 3.36Å; P368-I370 PolarHBondContact O-N 3.05Å; P368-I370 VanDerWaalsContact O-N 3.13Å; I370-H372 PolarHBondContact O-N 3.25Å; I370-R373 HydrophobicContact CD1-CB 4.46Å; I370-R373 PolarHBondContact O-N 2.88Å; I370-K374 HydrophobicContact CD1-CG 4.42Å; I370-K374 HydrophobicContact CG1-CG 4.48Å; I370-K374 PolarHBondContact O-N 3.15Å
371V97.5Very high95.6Very high0 Ų062.6 Ų62.60%031%0.313CS..Hα-helixtrans-57.1-33.6178.971.20000112.8R117 E118 T121 V135 I358 P368 G369 R373 K374 C375R117-V371 HydrophobicContact CB-CG1 3.72Å; R117-V371 HydrophobicContact CB-CG2 4.22Å; E118-V371 HydrophobicContact CG-CG1 4.45Å; T121-V371 WeakPolarHBondContact OG1-CB 3.44Å; V135-V371 HydrophobicContact CB-CG2 4.38Å; V135-V371 HydrophobicContact CG2-CG2 4Å; I358-V371 HydrophobicContact CD1-CB 4.16Å; I358-V371 HydrophobicContact CD1-CG2 4.25Å; P368-V371 WeakPolarHBondContact O-CG1 3.43Å; P368-V371 PolarHBondContact O-N 3.17Å; G369-V371 PolarHBondContact O-N 3.18Å; V371-R373 PolarHBondContact O-N 3.07Å; V371-K374 PolarHBondContact O-N 3.03Å; V371-C375 HydrophobicContact CG2-CB 4.05Å; V371-C375 WeakPolarHBondContact O-CB 3.41Å; V371-C375 PolarHBondContact O-N 2.86Å
372H96Very high95.5Very high39 Ų3958.1 Ų58.118%0.18129%0.293CS..Hα-helixtrans-74.8-11.6179.2-52.7-52.8000113.7K114 E118 G369 I370 F376K114-H372 VanDerWaalsContact CB-CE1 3.47Å; K114-H372 WeakPolarHBondContact CB-CE1 3.35Å; K114-H372 PolarHBondContact O-CE1 2.86Å; E118-H372 WeakPolarHBondContact CG-NE2 3.34Å; E118-H372 IonicContact OE1-CD2 2.73Å; E118-H372 IonicContact OE1-CE1 3.63Å; E118-H372 IonicContact OE1-NE2 3.62Å; E118-H372 PolarHBondContact OE1-NE2 3.36Å; G369-H372 PolarHBondContact O-CD2 3.09Å; G369-H372 PolarHBondContact O-N 2.89Å; I370-H372 PolarHBondContact O-N 3.25Å; H372-F376 WeakPolarHBondContact O-CE1 2.91Å
373R93.6Very high95.3Very high174 Ų17458.7 Ų58.766%0.65730%0.298SS*.Hα-helixtrans-101.7-18.2179.1-60.7-177.2-176.1166.32.5113.3I370 V371 F376I370-R373 HydrophobicContact CD1-CB 4.46Å; I370-R373 PolarHBondContact O-N 2.88Å; V371-R373 PolarHBondContact O-N 3.07Å; R373-F376 VanDerWaalsContact C-CZ 3.4Å; R373-F376 WeakPolarHBondContact O-CE2 3.45Å; R373-F376 WeakPolarHBondContact O-CZ 3.46Å
374K93.1Very high95.1Very high48 Ų4862.3 Ų62.321%0.20932%0.317CS..Hα-helixtrans-116-32.3-173.9-75.4-82.2-170.4136.50113Q355 M356 I358 E362 I370 V371Q355-K374 PolarHBondContact O-NZ 3Å; M356-K374 WeakPolarHBondContact CE-O 3.48Å; I358-K374 HydrophobicContact CD1-CB 4.21Å; I358-K374 HydrophobicContact CG1-CB 3.75Å; I358-K374 HydrophobicContact CG1-CG 4.09Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 2.73Å; E362-K374 PolarHBondContact OE1-NZ 2.96Å; E362-K374 IonicContact OE2-NZ 2.88Å; I370-K374 HydrophobicContact CD1-CG 4.42Å; I370-K374 HydrophobicContact CG1-CG 4.48Å; I370-K374 PolarHBondContact O-N 3.15Å; V371-K374 PolarHBondContact O-N 3.03Å
375C92.1Very high94.9Very high1 Ų158.8 Ų58.81%0.00730%0.297CS..  trans-107103.9-178.3-56.30000109.7R117 Y134 V135 V371R117-C375 PolarHBondContact NH1-O 2.85Å; R117-C375 PolarHBondContact NH2-O 2.96Å; Y134-C375 WeakPolarHBondContact CD2-SG 3.46Å; Y134-C375 HydrophobicContact CE2-CB 4.17Å; Y134-C375 VanDerWaalsContact CE2-SG 3.52Å; V135-C375 HydrophobicContact CB-CB 4.38Å; V135-C375 PolarHBondContact N-SG 3.23Å; V135-C375 VanDerWaalsContact N-SG 3.38Å; V135-C375 WeakPolarHBondContact O-CB 3.23Å; V371-C375 HydrophobicContact CG2-CB 4.05Å; V371-C375 WeakPolarHBondContact O-CB 3.41Å; V371-C375 PolarHBondContact O-N 2.86Å
376F82Confident94.6Very high155 Ų15551.6 Ų51.668%0.6827%0.265SS*.  trans-109.60-178.2-61-73.6000112.9H372 R373H372-F376 WeakPolarHBondContact O-CE1 2.91Å; R373-F376 VanDerWaalsContact C-CZ 3.4Å; R373-F376 WeakPolarHBondContact O-CE2 3.45Å; R373-F376 WeakPolarHBondContact O-CZ 3.46Å

Retrieved 376 of 376 residues in 159.7 ms (Link to these results)

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