A0A087Y4E4_POEFO Loading...

Trafficking protein particle complex subunit 9

AlphaFold DB , UniProt , Accession A0A087Y4E4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,150 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
1M75.1Confident84Confident46 Ų4625 Ų2523%0.22714%0.137CC..  0121.20-165.3173-68.700106.1N65 W68 R75 V341 I342M1-N65 VanDerWaalsContact CG-OD1 3.23Å; M1-N65 WeakPolarHBondContact CG-OD1 3.49Å; M1-W68 HydrophobicContact CB-CZ2 4.13Å; M1-W68 HydrophobicContact CE-CB 3.6Å; M1-W68 HydrophobicContact CE-CD2 3.62Å; M1-W68 HydrophobicContact CE-CE3 4.26Å; M1-W68 HydrophobicContact CE-CG 3.29Å; M1-R75 PolarHBondContact SD-NH1 3.39Å; M1-R75 VanDerWaalsContact SD-NH1 3.4Å; M1-V341 HydrophobicContact CB-CB 4.2Å; M1-V341 HydrophobicContact CB-CG1 4.47Å; M1-V341 HydrophobicContact CB-CG2 4.3Å; M1-V341 HydrophobicContact CG-CB 4.08Å; M1-V341 HydrophobicContact CG-CG1 3.81Å; M1-V341 HydrophobicContact CG-CG2 4.31Å; M1-V341 HydrophobicContact SD-CB 3.87Å; M1-V341 HydrophobicContact SD-CG1 3.26Å; M1-V341 WeakPolarHBondContact SD-CG1 3.32Å; M1-I342 HydrophobicContact CE-CD1 3.6Å; M1-I342 HydrophobicContact SD-CD1 3.9Å
2S68.8Low84.7Confident48 Ų4824.5 Ų24.534%0.33613%0.134SC..  trans-92.4-39.3-171.438.50000112.4E64S2-E64 WeakPolarHBondContact CB-OE2 3.32Å; S2-E64 PolarHBondContact OG-OE2 2.93Å
3V80Confident85.5Confident33 Ų3322.7 Ų22.720%0.213%0.125CC..SBendtrans-128.1127.7-171.5-170.20000112.1L62 E382V3-L62 HydrophobicContact CB-CD1 4.16Å; V3-L62 HydrophobicContact CG2-CD1 3.79Å; V3-E382 WeakPolarHBondContact CG2-OE1 3.25Å
4P84.4Confident86.1Confident8 Ų822.9 Ų22.95%0.05212%0.124CC..  trans-71.1136.717327.7-33.6000113.2Y6 V341 L344 E345 L375P4-Y6 HydrophobicContact CB-CE1 4.24Å; P4-Y6 HydrophobicContact CB-CE2 4.34Å; P4-Y6 HydrophobicContact CG-CD2 4.31Å; P4-Y6 HydrophobicContact CG-CE1 3.98Å; P4-Y6 HydrophobicContact CG-CE2 3.58Å; P4-Y6 VanDerWaalsContact CG-OH 3.26Å; P4-Y6 WeakPolarHBondContact CG-OH 3.31Å; P4-Y6 PolarHBondContact O-N 3.18Å; P4-V341 HydrophobicContact CB-CG1 3.86Å; P4-L344 HydrophobicContact CB-CD2 3.81Å; P4-L344 HydrophobicContact CG-CD2 3.91Å; P4-E345 HydrophobicContact CB-CG 4.35Å; P4-L375 HydrophobicContact CG-CD1 4.29Å
5D85.4Confident86.7Confident29 Ų2922.2 Ų22.216%0.15512%0.121CC..  trans-88.286.9166.4-178.77.2000109.7M7 Q8 R56 R58 E345D5-M7 PolarHBondContact O-N 3.27Å; D5-M7 WeakPolarHBondContact OD1-CB 3.43Å; D5-M7 PolarHBondContact OD1-N 3.08Å; D5-Q8 HydrophobicContact CB-CG 3.93Å; D5-Q8 WeakPolarHBondContact O-CB 3.33Å; D5-Q8 PolarHBondContact O-N 3.5Å; D5-Q8 WeakPolarHBondContact OD2-CG 3.44Å; D5-R56 IonicContact OD1-NH2 2.57Å; D5-R56 IonicContact OD2-CZ 3.59Å; D5-R56 VanDerWaalsContact OD2-CZ 3.28Å; D5-R56 IonicContact OD2-NH1 3.54Å; D5-R56 PolarHBondContact OD2-NH1 2.94Å; D5-R56 IonicContact OD2-NH2 2.66Å; D5-R56 PolarHBondContact OD2-NH2 2.8Å; D5-R58 VanDerWaalsContact CG-NH2 3.25Å; D5-R58 IonicContact OD1-NH2 3.5Å; D5-R58 PolarHBondContact OD1-NH2 3.01Å; D5-R58 IonicContact OD2-CZ 3.66Å; D5-R58 IonicContact OD2-NH2 2.75Å; D5-R58 PolarHBondContact OD2-NH2 2.81Å; D5-E345 PolarHBondContact N-OE1 3.49Å
6Y85Confident87.3Confident9 Ų920.9 Ų20.94%0.03511%0.114CC..THydrogen-bonded Turntrans-57.9-17177.8-70-64.1000115.1P4 Q8 L344 R352 Q385 R386 I389P4-Y6 HydrophobicContact CB-CE1 4.24Å; P4-Y6 HydrophobicContact CB-CE2 4.34Å; P4-Y6 HydrophobicContact CG-CD2 4.31Å; P4-Y6 HydrophobicContact CG-CE1 3.98Å; P4-Y6 HydrophobicContact CG-CE2 3.58Å; P4-Y6 VanDerWaalsContact CG-OH 3.26Å; P4-Y6 WeakPolarHBondContact CG-OH 3.31Å; P4-Y6 PolarHBondContact O-N 3.18Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Y6-L344 HydrophobicContact CD1-CD2 4.36Å; Y6-L344 HydrophobicContact CE1-CD2 3.43Å; Y6-L344 VanDerWaalsContact CE1-CD2 3.43Å; Y6-L344 HydrophobicContact CE1-CG 4.28Å; Y6-R352 PolarHBondContact O-NH2 3.02Å; Y6-Q385 HydrophobicContact CD2-CG 4.07Å; Y6-Q385 HydrophobicContact CE2-CG 4.2Å; Y6-R386 HydrophobicContact CE1-CG 4.43Å; Y6-R386 HydrophobicContact CE2-CB 4.48Å; Y6-R386 VanDerWaalsContact OH-CB 3.28Å; Y6-R386 WeakPolarHBondContact OH-CB 3.35Å; Y6-R386 WeakPolarHBondContact OH-CG 3.47Å; Y6-I389 HydrophobicContact CD1-CB 4.15Å; Y6-I389 HydrophobicContact CD1-CG1 4.32Å; Y6-I389 HydrophobicContact CD1-CG2 3.75Å; Y6-I389 HydrophobicContact CD2-CG1 3.97Å; Y6-I389 HydrophobicContact CG-CB 4.06Å; Y6-I389 HydrophobicContact CG-CG1 3.71Å; Y6-I389 HydrophobicContact CG-CG2 3.91Å
7M83.4Confident87.7Confident65 Ų6519.7 Ų19.732%0.3211%0.107SC..THydrogen-bonded Turntrans-84.1-5.1178.3-63.2-55.2-67.700112.9D5 M266 R352 I389D5-M7 PolarHBondContact O-N 3.27Å; D5-M7 WeakPolarHBondContact OD1-CB 3.43Å; D5-M7 PolarHBondContact OD1-N 3.08Å; M7-M266 HydrophobicContact CE-CE 3.88Å; M7-M266 HydrophobicContact CE-SD 3.65Å; M7-R352 PolarHBondContact O-NH1 3.28Å; M7-I389 HydrophobicContact SD-CD1 4.41Å
8Q84.8Confident88.2Confident3 Ų318.6 Ų18.61%0.01410%0.101CC..  trans-61.3139.1-177.2-81.1-167.826.300113.8D5 Y6 D12 R75 E345D5-Q8 HydrophobicContact CB-CG 3.93Å; D5-Q8 WeakPolarHBondContact O-CB 3.33Å; D5-Q8 PolarHBondContact O-N 3.5Å; D5-Q8 WeakPolarHBondContact OD2-CG 3.44Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Q8-D12 WeakPolarHBondContact CA-OD2 3.48Å; Q8-R75 VanDerWaalsContact NE2-NH1 3.14Å; Q8-E345 PolarHBondContact NE2-OE2 2.97Å; Q8-E345 PolarHBondContact OE1-OE2 2.9Å
9C91.6Very high88.7Confident7 Ų717.6 Ų17.65%0.04710%0.096CC..  trans-121.4174.2173.7-54.60000111.7E11 D12 T262 K349 R352C9-E11 VanDerWaalsContact C-N 3.27Å; C9-E11 WeakPolarHBondContact CB-OE2 3.13Å; C9-E11 PolarHBondContact O-N 3.28Å; C9-D12 PolarHBondContact N-OD2 2.84Å; C9-D12 PolarHBondContact O-N 2.82Å; C9-T262 WeakPolarHBondContact CB-OG1 3.43Å; C9-K349 VanDerWaalsContact O-CE 3.24Å; C9-K349 WeakPolarHBondContact O-CE 3.47Å; C9-R352 PolarHBondContact SG-NH1 3.18Å
10A92.8Very high89.1Confident0 Ų016.8 Ų16.80%09%0.091CC..SBendtrans-62-36.9169.700000111.9D12 H13 V254A10-D12 PolarHBondContact O-N 2.81Å; A10-H13 WeakPolarHBondContact O-CB 3.42Å; A10-H13 PolarHBondContact O-N 2.78Å; A10-V254 HydrophobicContact CB-CB 3.83Å; A10-V254 HydrophobicContact CB-CG1 3.52Å; A10-V254 HydrophobicContact CB-CG2 4.29Å
11E92.7Very high89.3Confident27 Ų2717.5 Ų17.513%0.1269%0.094CC..G310 helixtrans-68.5-19.9-177.7-5774.7-162.200112.5C9 H13 Q14 I255 G261 T262C9-E11 VanDerWaalsContact C-N 3.27Å; C9-E11 WeakPolarHBondContact CB-OE2 3.13Å; C9-E11 PolarHBondContact O-N 3.28Å; E11-H13 PolarHBondContact O-N 3.48Å; E11-H13 VanDerWaalsContact O-N 3.14Å; E11-Q14 WeakPolarHBondContact O-CG 3.48Å; E11-Q14 PolarHBondContact O-N 3.45Å; E11-Q14 VanDerWaalsContact O-N 3.08Å; E11-I255 HydrophobicContact CG-CG1 4.29Å; E11-G261 WeakPolarHBondContact OE1-CA 3.1Å; E11-T262 VanDerWaalsContact CD-N 3.34Å; E11-T262 WeakPolarHBondContact OE1-CB 3.33Å; E11-T262 WeakPolarHBondContact OE1-CG2 3.44Å; E11-T262 PolarHBondContact OE1-N 3.3Å; E11-T262 PolarHBondContact OE1-OG1 3.2Å; E11-T262 VanDerWaalsContact OE1-OG1 3.11Å; E11-T262 PolarHBondContact OE2-N 3.34Å; E11-T262 PolarHBondContact OE2-OG1 3.18Å
12D92.6Very high90.3Very high19 Ų1918.2 Ų18.210%0.10210%0.102CC..G310 helixtrans-60.9-26.4175.8-70-42.8000111.2Q8 C9 A10 Q14 T15 R56 H74Q8-D12 WeakPolarHBondContact CA-OD2 3.48Å; C9-D12 PolarHBondContact N-OD2 2.84Å; C9-D12 PolarHBondContact O-N 2.82Å; A10-D12 PolarHBondContact O-N 2.81Å; D12-Q14 PolarHBondContact O-N 2.87Å; D12-T15 PolarHBondContact O-N 2.91Å; D12-T15 PolarHBondContact O-OG1 2.79Å; D12-R56 WeakPolarHBondContact OD1-CD 3.31Å; D12-R56 IonicContact OD1-CZ 3.71Å; D12-R56 IonicContact OD1-NE 3.22Å; D12-R56 PolarHBondContact OD1-NE 2.83Å; D12-R56 IonicContact OD1-NH2 2.89Å; D12-R56 IonicContact OD2-CZ 2.74Å; D12-R56 IonicContact OD2-NE 3.68Å; D12-R56 IonicContact OD2-NH1 2.68Å; D12-R56 IonicContact OD2-NH2 3.44Å; D12-R56 PolarHBondContact OD2-NH2 2.88Å; D12-H74 WeakPolarHBondContact O-CB 3.33Å
13H94.7Very high91.3Very high1 Ų116.2 Ų16.21%0.0059%0.088CC..G310 helixtrans-63.9-22.6176.9-74.3-114.1000114A10 E11 H74 L214 Q215 E247 S251A10-H13 WeakPolarHBondContact O-CB 3.42Å; A10-H13 PolarHBondContact O-N 2.78Å; E11-H13 PolarHBondContact O-N 3.48Å; E11-H13 VanDerWaalsContact O-N 3.14Å; H13-H74 AromaticContact CD2-CE1 3.7Å; H13-H74 AromaticContact CD2-ND1 3.93Å; H13-H74 AromaticContact CE1-CE1 3.53Å; H13-H74 AromaticContact CE1-ND1 3.93Å; H13-H74 AromaticContact CG-CE1 3.8Å; H13-H74 AromaticContact CG-ND1 3.61Å; H13-H74 AromaticContact ND1-CE1 3.68Å; H13-H74 AromaticContact ND1-ND1 3.6Å; H13-H74 AromaticContact NE2-CE1 3.51Å; H13-L214 HydrophobicContact CB-CD2 3.74Å; H13-Q215 WeakPolarHBondContact O-CG 3.43Å; H13-E247 IonicContact CE1-OE1 2.79Å; H13-E247 PolarHBondContact CE1-OE1 3.37Å; H13-E247 IonicContact NE2-OE1 3.54Å; H13-E247 PolarHBondContact NE2-OE1 3.13Å; H13-S251 PolarHBondContact CD2-OG 2.83Å; H13-S251 PolarHBondContact NE2-OG 3.44Å
14Q94.4Very high91.5Very high25 Ų2516.4 Ų16.412%0.11710%0.096CC..G310 helixtrans-92.5-0.2172.360168.91000113.4E11 D12 Y54 L214 I255E11-Q14 WeakPolarHBondContact O-CG 3.48Å; E11-Q14 PolarHBondContact O-N 3.45Å; E11-Q14 VanDerWaalsContact O-N 3.08Å; D12-Q14 PolarHBondContact O-N 2.87Å; Q14-Y54 HydrophobicContact CG-CD2 4.15Å; Q14-L214 HydrophobicContact CB-CD1 4.25Å; Q14-L214 HydrophobicContact CB-CG 3.95Å; Q14-I255 HydrophobicContact CB-CD1 3.88Å; Q14-I255 HydrophobicContact CG-CD1 3.71Å; Q14-I255 HydrophobicContact CG-CG1 4.47Å
15T94.9Very high91.5Very high13 Ų1323.2 Ų23.28%0.0813%0.131CC..EExtended strand (participates in β ladder)trans-94.7148.2-17768.30000112.6D12 Y54 R56 Q215D12-T15 PolarHBondContact O-N 2.91Å; D12-T15 PolarHBondContact O-OG1 2.79Å; T15-Y54 CarbonylContact C-O 3.59Å; T15-Y54 VanDerWaalsContact CA-O 3.28Å; T15-Y54 WeakPolarHBondContact CA-O 3.29Å; T15-R56 HydrophobicContact CG2-CB 4.41Å; T15-Q215 PolarHBondContact O-NE2 2.84Å
16V95.6Very high91.8Very high1 Ų122.9 Ų22.91%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-91.4138.5161.4-68.90000110.2L53 Y54 I55 R56 V78 I155 L159 Q215V16-L53 HydrophobicContact CG1-CD1 3.95Å; V16-L53 HydrophobicContact CG2-CD1 4.09Å; V16-L53 HydrophobicContact CG2-CD2 4.24Å; V16-L53 HydrophobicContact CG2-CG 4.17Å; V16-Y54 WeakPolarHBondContact CG2-O 3.47Å; V16-Y54 PolarHBondContact N-O 2.79Å; V16-I55 HydrophobicContact CG2-CB 4.34Å; V16-I55 HydrophobicContact CG2-CG1 3.86Å; V16-I55 HydrophobicContact CG2-CG2 4.3Å; V16-R56 PolarHBondContact O-N 3.32Å; V16-V78 HydrophobicContact CB-CG2 3.71Å; V16-V78 HydrophobicContact CG1-CG2 4.17Å; V16-I155 HydrophobicContact CG2-CG2 4.47Å; V16-L159 HydrophobicContact CG1-CD2 4.1Å; V16-Q215 HydrophobicContact CG1-CB 4.45Å
17L95.3Very high92.1Very high1 Ų125.4 Ų25.41%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-94.5123.5-177.9177.368.1000110.9R56 R58 Y61 R75 K76 V77 V78 G79L17-R56 WeakPolarHBondContact CA-O 3.49Å; L17-R56 HydrophobicContact CD1-CG 4.47Å; L17-R58 HydrophobicContact CD1-CB 4.24Å; L17-R58 HydrophobicContact CD1-CG 3.67Å; L17-Y61 HydrophobicContact CD2-CD1 4.21Å; L17-Y61 HydrophobicContact CD2-CD2 4.01Å; L17-Y61 HydrophobicContact CD2-CE1 3.81Å; L17-Y61 HydrophobicContact CD2-CE2 3.59Å; L17-Y61 HydrophobicContact CD2-CG 4.29Å; L17-Y61 VanDerWaalsContact CD2-CZ 3.48Å; L17-R75 WeakPolarHBondContact CD2-O 3.42Å; L17-K76 WeakPolarHBondContact CB-O 3.29Å; L17-V77 HydrophobicContact CD2-CG2 3.83Å; L17-V77 HydrophobicContact CG-CG2 4.39Å; L17-V78 PolarHBondContact O-N 2.89Å; L17-G79 PolarHBondContact O-N 3.41Å
18V96.9Very high92.5Very high0 Ų029.2 Ų29.20%016%0.164CC..EExtended strand (participates in β ladder)trans-117.6126.7175.6178.30000109.5I55 R56 Y57 R58 G79 I81 F151 I155V18-I55 HydrophobicContact CB-CG2 4.19Å; V18-I55 HydrophobicContact CG2-CG2 3.61Å; V18-R56 PolarHBondContact N-O 2.74Å; V18-Y57 HydrophobicContact CB-CD1 3.65Å; V18-Y57 HydrophobicContact CB-CE1 3.84Å; V18-Y57 HydrophobicContact CG1-CD1 3.69Å; V18-Y57 HydrophobicContact CG1-CE1 3.79Å; V18-Y57 HydrophobicContact CG2-CE1 4.24Å; V18-Y57 CarbonylContact O-C 3.55Å; V18-Y57 VanDerWaalsContact O-CA 3.29Å; V18-Y57 WeakPolarHBondContact O-CA 3.45Å; V18-R58 PolarHBondContact O-N 2.86Å; V18-G79 WeakPolarHBondContact CA-O 3.33Å; V18-I81 HydrophobicContact CG1-CD1 4.07Å; V18-I81 HydrophobicContact CG1-CG1 4.07Å; V18-F151 HydrophobicContact CG1-CE1 3.9Å; V18-F151 HydrophobicContact CG1-CZ 4.33Å; V18-F151 HydrophobicContact CG2-CE1 4.21Å; V18-I155 HydrophobicContact CG2-CD1 4.06Å
19V96.1Very high92.9Very high0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-92.7133.5174.9172.40000109.6Q21 R58 Y61 V77 G79 L80 I81 Y106V19-Q21 HydrophobicContact CG1-CG 3.7Å; V19-R58 CarbonylContact C-O 3.55Å; V19-R58 VanDerWaalsContact CA-O 3.28Å; V19-R58 WeakPolarHBondContact CA-O 3.39Å; V19-Y61 HydrophobicContact CG2-CD1 4.43Å; V19-Y61 HydrophobicContact CG2-CG 4.36Å; V19-V77 HydrophobicContact CB-CG1 4.06Å; V19-V77 HydrophobicContact CG2-CB 4.33Å; V19-V77 HydrophobicContact CG2-CG1 3.65Å; V19-V77 HydrophobicContact CG2-CG2 3.67Å; V19-G79 PolarHBondContact N-O 3.24Å; V19-L80 HydrophobicContact CB-CD1 4.3Å; V19-L80 HydrophobicContact CG1-CD1 4.19Å; V19-L80 WeakPolarHBondContact O-CA 3.41Å; V19-I81 PolarHBondContact O-N 2.73Å; V19-Y106 HydrophobicContact CG1-CE2 4.37Å
20V96.9Very high93Very high0 Ų035.5 Ų35.50%020%0.196CC..EExtended strand (participates in β ladder)trans-117.5112.6178.2-172.40000109.5F31 Y35 I38 Y57 R58 H59 I81 I83V20-F31 HydrophobicContact CG1-CE2 4.29Å; V20-F31 HydrophobicContact CG1-CZ 4.37Å; V20-Y35 HydrophobicContact CB-CD2 3.76Å; V20-Y35 HydrophobicContact CB-CE2 3.9Å; V20-Y35 HydrophobicContact CG1-CD2 3.87Å; V20-Y35 HydrophobicContact CG2-CD2 4.15Å; V20-Y35 HydrophobicContact CG2-CE2 4.07Å; V20-I38 HydrophobicContact CG1-CD1 3.84Å; V20-I38 HydrophobicContact CG2-CG2 4.11Å; V20-Y57 HydrophobicContact CG2-CD1 3.86Å; V20-Y57 HydrophobicContact CG2-CG 4.48Å; V20-R58 PolarHBondContact N-O 2.99Å; V20-H59 WeakPolarHBondContact O-CA 3.47Å; V20-I81 CarbonylContact C-O 3.59Å; V20-I81 VanDerWaalsContact CA-O 3.22Å; V20-I81 WeakPolarHBondContact CA-O 3.47Å; V20-I81 HydrophobicContact CG1-CB 4.44Å; V20-I81 HydrophobicContact CG2-CB 4.38Å; V20-I83 HydrophobicContact CG1-CD1 3.84Å; V20-I83 HydrophobicContact CG1-CG1 4.44Å
21Q95.1Very high93.1Very high32 Ų3236.1 Ų36.115%0.1520%0.199CC..EExtended strand (participates in β ladder)trans-124.1139.5-172.1-81.8172.3-21.700112.7V19 I81 C82 I83V19-Q21 HydrophobicContact CG1-CG 3.7Å; Q21-I81 PolarHBondContact N-O 3.44Å; Q21-C82 CarbonylContact O-C 3.57Å; Q21-C82 VanDerWaalsContact O-CA 3.28Å; Q21-C82 WeakPolarHBondContact O-CA 3.36Å; Q21-I83 PolarHBondContact O-N 2.97Å
22P94.4Very high93.2Very high62 Ų6237.9 Ų37.940%0.40321%0.206SC..EExtended strand (participates in β ladder)trans-72.9137.116631-30.3000109.5V26 F31 I83P22-V26 HydrophobicContact CB-CB 4.17Å; P22-V26 HydrophobicContact CB-CG2 4.16Å; P22-F31 HydrophobicContact CB-CD2 3.79Å; P22-F31 HydrophobicContact CB-CE2 4.01Å; P22-F31 HydrophobicContact CB-CG 4.48Å; P22-F31 VanDerWaalsContact CD-CE2 3.5Å; P22-F31 HydrophobicContact CG-CD2 4.22Å; P22-F31 HydrophobicContact CG-CE2 4.12Å; P22-I83 CarbonylContact C-O 3.57Å; P22-I83 WeakPolarHBondContact CA-O 3.47Å
23V89.6Confident93.3Very high6 Ų640.5 Ų40.54%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-119.9119.9174.4177.80000108.2C82 I83 T84 R98 Q102V23-C82 HydrophobicContact CG2-CB 3.62Å; V23-I83 PolarHBondContact N-O 3.45Å; V23-T84 WeakPolarHBondContact O-CA 3.48Å; V23-T84 WeakPolarHBondContact O-CB 2.91Å; V23-T84 PolarHBondContact O-OG1 3.08Å; V23-R98 HydrophobicContact CG1-CB 3.46Å; V23-R98 VanDerWaalsContact CG1-CB 3.46Å; V23-Q102 HydrophobicContact CG2-CG 3.97Å
24G85.4Confident93.3Very high36 Ų3640.5 Ų40.537%0.37122%0.217SC..SBendtrans80.7-155.1-172.400000113.2V26G24-V26 PolarHBondContact O-N 2.91Å
25I84.8Confident93.4Very high152 Ų15240.9 Ų40.978%0.77922%0.217SC*.SBendtrans-92.891.7-174.1-56.9175000109.5T85I25-T85 PolarHBondContact O-OG1 2.88Å
26V91.3Very high93.4Very high22 Ų2247.6 Ų47.613%0.13325%0.246CC..  trans-107.3123.9174.6-173.70000109P22 G24 E28 F31 I83 T85 F138P22-V26 HydrophobicContact CB-CB 4.17Å; P22-V26 HydrophobicContact CB-CG2 4.16Å; G24-V26 PolarHBondContact O-N 2.91Å; V26-E28 PolarHBondContact O-N 3.47Å; V26-F31 HydrophobicContact CG1-CB 3.89Å; V26-I83 HydrophobicContact CG1-CG2 4.28Å; V26-I83 WeakPolarHBondContact CG2-O 3.42Å; V26-T85 HydrophobicContact CG2-CG2 4.42Å; V26-F138 HydrophobicContact CG1-CE1 4.4Å; V26-F138 HydrophobicContact CG1-CZ 4.05Å
27P91.6Very high93.3Very high61 Ų6150.1 Ų50.140%0.39626%0.255SS..  trans-56.4134.9172.6-24.334.3000111.4D29 Q30 F31P27-D29 VanDerWaalsContact C-N 3.33Å; P27-D29 WeakPolarHBondContact CB-OD1 3.21Å; P27-D29 PolarHBondContact O-N 3.04Å; P27-Q30 HydrophobicContact CB-CB 4.26Å; P27-Q30 HydrophobicContact CB-CG 4.03Å; P27-Q30 HydrophobicContact CG-CG 4.4Å; P27-Q30 PolarHBondContact O-N 3.27Å; P27-Q30 VanDerWaalsContact O-N 3.13Å; P27-F31 PolarHBondContact O-N 2.91Å
28E91.6Very high93.4Very high145 Ų14550 Ų5068%0.67826%0.255SS*.Hα-helixtrans-62-39.7-171.6-173.6177.2-17900112.5V26 Q30 F31 F32V26-E28 PolarHBondContact O-N 3.47Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 2.87Å; E28-F31 PolarHBondContact O-N 3.08Å; E28-F32 HydrophobicContact CG-CD2 3.7Å; E28-F32 HydrophobicContact CG-CE2 3.6Å; E28-F32 VanDerWaalsContact O-CD2 3.28Å; E28-F32 WeakPolarHBondContact O-CD2 3.46Å; E28-F32 PolarHBondContact O-N 2.71Å
29D92.6Very high93.3Very high102 Ų10251.6 Ų51.655%0.54527%0.267SS..Hα-helixtrans-59.7-42.8175.163.6-50.7000111.9P27 K33P27-D29 VanDerWaalsContact C-N 3.33Å; P27-D29 WeakPolarHBondContact CB-OD1 3.21Å; P27-D29 PolarHBondContact O-N 3.04Å; D29-K33 WeakPolarHBondContact O-CB 3.43Å; D29-K33 PolarHBondContact O-N 2.92Å
30Q93.2Very high93.2Very high40 Ų4054.6 Ų54.619%0.18729%0.288CS..Hα-helixtrans-73-41178.7-60.4-55.7-38.900112P27 E28 F32 K33 I34 F138P27-Q30 HydrophobicContact CB-CB 4.26Å; P27-Q30 HydrophobicContact CB-CG 4.03Å; P27-Q30 HydrophobicContact CG-CG 4.4Å; P27-Q30 PolarHBondContact O-N 3.27Å; P27-Q30 VanDerWaalsContact O-N 3.13Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 2.87Å; Q30-F32 PolarHBondContact O-N 2.77Å; Q30-K33 WeakPolarHBondContact O-CB 3.42Å; Q30-K33 PolarHBondContact O-N 2.81Å; Q30-I34 PolarHBondContact O-N 2.83Å; Q30-F138 HydrophobicContact CB-CD1 3.95Å; Q30-F138 HydrophobicContact CB-CD2 4.06Å; Q30-F138 HydrophobicContact CB-CE1 3.97Å; Q30-F138 HydrophobicContact CB-CE2 4.09Å; Q30-F138 HydrophobicContact CB-CG 3.99Å; Q30-F138 HydrophobicContact CB-CZ 4.04Å; Q30-F138 HydrophobicContact CG-CD2 4.09Å; Q30-F138 HydrophobicContact CG-CE2 4.37Å; Q30-F138 HydrophobicContact CG-CG 4.28Å; Q30-F138 VanDerWaalsContact OE1-CB 3.23Å
31F95.3Very high93.1Very high13 Ų1355 Ų556%0.05729%0.29CS..Hα-helixtrans-56.7-51.8173.6173.9-98.9000110.8V20 P22 V26 P27 E28 K33 I34 Y35 H59 I83V20-F31 HydrophobicContact CG1-CE2 4.29Å; V20-F31 HydrophobicContact CG1-CZ 4.37Å; P22-F31 HydrophobicContact CB-CD2 3.79Å; P22-F31 HydrophobicContact CB-CE2 4.01Å; P22-F31 HydrophobicContact CB-CG 4.48Å; P22-F31 VanDerWaalsContact CD-CE2 3.5Å; P22-F31 HydrophobicContact CG-CD2 4.22Å; P22-F31 HydrophobicContact CG-CE2 4.12Å; V26-F31 HydrophobicContact CG1-CB 3.89Å; P27-F31 PolarHBondContact O-N 2.91Å; E28-F31 PolarHBondContact O-N 3.08Å; F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 3.13Å; F31-I34 PolarHBondContact O-N 2.84Å; F31-Y35 HydrophobicContact CE1-CD2 4.47Å; F31-Y35 HydrophobicContact CZ-CD2 4.29Å; F31-Y35 VanDerWaalsContact O-CB 3.31Å; F31-Y35 WeakPolarHBondContact O-CB 3.44Å; F31-Y35 PolarHBondContact O-N 3.11Å; F31-H59 HydrophobicContact CE1-CB 3.91Å; F31-H59 HydrophobicContact CZ-CB 3.86Å; F31-I83 HydrophobicContact CD2-CB 4.28Å; F31-I83 HydrophobicContact CD2-CD1 3.84Å; F31-I83 HydrophobicContact CE2-CD1 3.82Å
32F95.5Very high92.9Very high64 Ų6456.2 Ų56.228%0.28130%0.303SS..Hα-helixtrans-69.6-26.1-179.1-77.9-63000113.2E28 Q30 Y35 K36 H59E28-F32 HydrophobicContact CG-CD2 3.7Å; E28-F32 HydrophobicContact CG-CE2 3.6Å; E28-F32 VanDerWaalsContact O-CD2 3.28Å; E28-F32 WeakPolarHBondContact O-CD2 3.46Å; E28-F32 PolarHBondContact O-N 2.71Å; Q30-F32 PolarHBondContact O-N 2.77Å; F32-Y35 HydrophobicContact CD1-CD1 4.4Å; F32-K36 WeakPolarHBondContact O-CB 3.25Å; F32-K36 VanDerWaalsContact O-CG 3.25Å; F32-K36 WeakPolarHBondContact O-CG 3.37Å; F32-K36 PolarHBondContact O-N 2.83Å; F32-H59 AromaticContact CE1-CD2 3.97Å; F32-H59 AromaticContact CE1-NE2 3.89Å
33K93.8Very high92.8Very high75 Ų7558 Ų5833%0.32631%0.306SS..Hα-helixtrans-62.2-49.1170.5-179.5173175.2164.70111.4D29 Q30 F31 R37 E139D29-K33 WeakPolarHBondContact O-CB 3.43Å; D29-K33 PolarHBondContact O-N 2.92Å; Q30-K33 WeakPolarHBondContact O-CB 3.42Å; Q30-K33 PolarHBondContact O-N 2.81Å; F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 3.13Å; K33-R37 PolarHBondContact O-N 3.28Å; K33-E139 IonicContact NZ-OE1 2.75Å; K33-E139 PolarHBondContact NZ-OE1 3.02Å; K33-E139 IonicContact NZ-OE2 3.83Å; K33-E139 PolarHBondContact NZ-OE2 3.34Å
34I95.2Very high92.9Very high0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-71.6-40.4177.6-60.7-56.5000111.7Q30 F31 K36 R37 I38 I83 L116 F118 F138Q30-I34 PolarHBondContact O-N 2.83Å; F31-I34 PolarHBondContact O-N 2.84Å; I34-K36 VanDerWaalsContact C-N 3.26Å; I34-K36 PolarHBondContact O-N 3.07Å; I34-R37 WeakPolarHBondContact O-CA 3.37Å; I34-R37 WeakPolarHBondContact O-CB 3.4Å; I34-R37 PolarHBondContact O-N 2.82Å; I34-I38 HydrophobicContact CG2-CD1 3.92Å; I34-I38 HydrophobicContact CG2-CG1 4.3Å; I34-I38 PolarHBondContact O-N 2.78Å; I34-I83 HydrophobicContact CB-CD1 3.97Å; I34-I83 HydrophobicContact CG2-CD1 3.59Å; I34-I83 HydrophobicContact CG2-CG1 4.15Å; I34-L116 HydrophobicContact CG2-CD1 4.28Å; I34-F118 HydrophobicContact CD1-CE1 4.12Å; I34-F118 HydrophobicContact CD1-CZ 3.89Å; I34-F118 HydrophobicContact CG1-CE1 4.47Å; I34-F118 HydrophobicContact CG1-CE2 4.36Å; I34-F118 HydrophobicContact CG1-CZ 3.92Å; I34-F118 HydrophobicContact CG2-CZ 4.22Å; I34-F138 HydrophobicContact CD1-CD1 4.13Å; I34-F138 HydrophobicContact CG1-CD1 3.62Å; I34-F138 HydrophobicContact CG1-CE1 4.11Å
35Y95.8Very high93.2Very high34 Ų3461.2 Ų61.213%0.13331%0.314CS..Hα-helixtrans-54.5-42.6174.8179.1-91.4000111.7V20 F31 F32 R37 I38 A39 Y57 H59V20-Y35 HydrophobicContact CB-CD2 3.76Å; V20-Y35 HydrophobicContact CB-CE2 3.9Å; V20-Y35 HydrophobicContact CG1-CD2 3.87Å; V20-Y35 HydrophobicContact CG2-CD2 4.15Å; V20-Y35 HydrophobicContact CG2-CE2 4.07Å; F31-Y35 HydrophobicContact CE1-CD2 4.47Å; F31-Y35 HydrophobicContact CZ-CD2 4.29Å; F31-Y35 VanDerWaalsContact O-CB 3.31Å; F31-Y35 WeakPolarHBondContact O-CB 3.44Å; F31-Y35 PolarHBondContact O-N 3.11Å; F32-Y35 HydrophobicContact CD1-CD1 4.4Å; Y35-R37 VanDerWaalsContact C-N 3.3Å; Y35-R37 PolarHBondContact O-N 2.78Å; Y35-I38 PolarHBondContact O-N 2.86Å; Y35-A39 HydrophobicContact CE1-CB 4.24Å; Y35-A39 WeakPolarHBondContact O-CB 3.26Å; Y35-A39 PolarHBondContact O-N 2.87Å; Y35-Y57 PolarHBondContact OH-O 3.04Å; Y35-Y57 VanDerWaalsContact OH-O 3.08Å; Y35-H59 HydrophobicContact CD2-CB 4Å; Y35-H59 AromaticContact CE1-ND1 3.98Å; Y35-H59 HydrophobicContact CE2-CB 3.63Å; Y35-H59 AromaticContact CE2-ND1 3.81Å; Y35-H59 AromaticContact CZ-ND1 3.49Å; Y35-H59 PolarHBondContact OH-ND1 3.24Å
36K94.9Very high93.2Very high154 Ų15454.6 Ų54.667%0.6728%0.28SS*.Hα-helixtrans-62.3-35175.6-78.3172.3-177.3174.70112.8F32 I34 S40F32-K36 WeakPolarHBondContact O-CB 3.25Å; F32-K36 VanDerWaalsContact O-CG 3.25Å; F32-K36 WeakPolarHBondContact O-CG 3.37Å; F32-K36 PolarHBondContact O-N 2.83Å; I34-K36 VanDerWaalsContact C-N 3.26Å; I34-K36 PolarHBondContact O-N 3.07Å; K36-S40 PolarHBondContact O-N 2.9Å; K36-S40 VanDerWaalsContact O-N 3.08Å
37R94.8Very high92.3Very high53 Ų5360.9 Ų60.920%0.230%0.302CS..Hα-helixtrans-70.8-46.2176-66.7-175.767.5-164.3-4.7111.4K33 I34 Y35 A39 S40 C141 E145K33-R37 PolarHBondContact O-N 3.28Å; I34-R37 WeakPolarHBondContact O-CA 3.37Å; I34-R37 WeakPolarHBondContact O-CB 3.4Å; I34-R37 PolarHBondContact O-N 2.82Å; Y35-R37 VanDerWaalsContact C-N 3.3Å; Y35-R37 PolarHBondContact O-N 2.78Å; R37-A39 PolarHBondContact O-N 2.79Å; R37-S40 WeakPolarHBondContact O-CB 3.19Å; R37-S40 PolarHBondContact O-N 2.79Å; R37-S40 VanDerWaalsContact O-N 3.15Å; R37-S40 PolarHBondContact O-OG 3.01Å; R37-C141 PolarHBondContact NH1-O 3.41Å; R37-C141 PolarHBondContact NH1-SG 3.04Å; R37-C141 PolarHBondContact NH2-O 2.85Å; R37-E145 IonicContact CZ-OE1 3.04Å; R37-E145 IonicContact CZ-OE2 3.98Å; R37-E145 IonicContact NE-OE1 3.74Å; R37-E145 PolarHBondContact NE-OE1 3.25Å; R37-E145 IonicContact NE-OE2 2.98Å; R37-E145 IonicContact NH2-OE1 3.86Å; R37-E145 PolarHBondContact NH2-OE1 3.39Å; R37-E145 IonicContact NH2-OE2 3.82Å; R37-E145 PolarHBondContact NH2-OE2 3.03Å
38I95.8Very high91.1Very high0 Ų066.5 Ų66.50%033%0.328CS..Hα-helixtrans-57-51.6173-65.5165.9000110.3V20 I34 Y35 S40 V41 Y57 I81 I83 L116 V144 V148V20-I38 HydrophobicContact CG1-CD1 3.84Å; V20-I38 HydrophobicContact CG2-CG2 4.11Å; I34-I38 HydrophobicContact CG2-CD1 3.92Å; I34-I38 HydrophobicContact CG2-CG1 4.3Å; I34-I38 PolarHBondContact O-N 2.78Å; Y35-I38 PolarHBondContact O-N 2.86Å; I38-S40 PolarHBondContact O-N 2.99Å; I38-S40 VanDerWaalsContact O-N 3.13Å; I38-V41 PolarHBondContact O-N 2.87Å; I38-Y57 HydrophobicContact CG2-CD1 3.65Å; I38-Y57 HydrophobicContact CG2-CE1 3.49Å; I38-Y57 VanDerWaalsContact CG2-CE1 3.49Å; I38-Y57 HydrophobicContact CG2-CG 4.3Å; I38-I81 HydrophobicContact CD1-CG2 3.86Å; I38-I81 HydrophobicContact CG2-CD1 3.68Å; I38-I83 HydrophobicContact CD1-CD1 3.85Å; I38-I83 HydrophobicContact CD1-CG1 4.34Å; I38-L116 HydrophobicContact CD1-CD1 4.12Å; I38-V144 HydrophobicContact CG1-CG1 4.33Å; I38-V148 HydrophobicContact CB-CG2 4.4Å; I38-V148 HydrophobicContact CG1-CG2 4.01Å; I38-V148 HydrophobicContact CG2-CG1 4.35Å; I38-V148 HydrophobicContact CG2-CG2 4.23Å
39A95.1Very high89.9Confident32 Ų3261.2 Ų61.226%0.26431%0.308SS..THydrogen-bonded Turntrans-67.9-12-178.500000113.9Y35 R37 Y57Y35-A39 HydrophobicContact CE1-CB 4.24Å; Y35-A39 WeakPolarHBondContact O-CB 3.26Å; Y35-A39 PolarHBondContact O-N 2.87Å; R37-A39 PolarHBondContact O-N 2.79Å; A39-Y57 HydrophobicContact CB-CD2 4.13Å; A39-Y57 HydrophobicContact CB-CG 4.5Å
40S94.8Very high89.1Confident63 Ų6365.3 Ų65.344%0.44132%0.323SS..THydrogen-bonded Turntrans-70.2-23.917280.50000112.5K36 R37 I38 S42K36-S40 PolarHBondContact O-N 2.9Å; K36-S40 VanDerWaalsContact O-N 3.08Å; R37-S40 WeakPolarHBondContact O-CB 3.19Å; R37-S40 PolarHBondContact O-N 2.79Å; R37-S40 VanDerWaalsContact O-N 3.15Å; R37-S40 PolarHBondContact O-OG 3.01Å; I38-S40 PolarHBondContact O-N 2.99Å; I38-S40 VanDerWaalsContact O-N 3.13Å; S40-S42 VanDerWaalsContact C-N 3.27Å; S40-S42 PolarHBondContact O-N 2.81Å; S40-S42 VanDerWaalsContact O-N 3.15Å
41V93.9Very high88.7Confident8 Ų865.9 Ų65.95%0.04832%0.324CS..  trans-87.665.8173.2-171.10000109.3I38 V44 Y57 E145 V148 E149I38-V41 PolarHBondContact O-N 2.87Å; V41-V44 HydrophobicContact CG1-CG2 3.6Å; V41-Y57 WeakPolarHBondContact O-CE2 3.48Å; V41-Y57 PolarHBondContact O-OH 2.79Å; V41-E145 HydrophobicContact CG2-CB 3.88Å; V41-E145 HydrophobicContact CG2-CG 4.13Å; V41-V148 HydrophobicContact CB-CB 4.47Å; V41-V148 HydrophobicContact CB-CG1 3.81Å; V41-V148 HydrophobicContact CG1-CG1 4.05Å; V41-V148 HydrophobicContact CG2-CB 4.26Å; V41-V148 HydrophobicContact CG2-CG1 4.12Å; V41-E149 HydrophobicContact CG1-CG 3.73Å
42S92.2Very high88.4Confident58 Ų5868.2 Ų68.241%0.40634%0.337SS..  trans-86.7-11-177.759.80000114.2S40 I55S40-S42 VanDerWaalsContact C-N 3.27Å; S40-S42 PolarHBondContact O-N 2.81Å; S40-S42 VanDerWaalsContact O-N 3.15Å; S42-I55 PolarHBondContact O-N 2.8Å
43Q91.9Very high88.3Confident101 Ų10165.2 Ų65.247%0.47232%0.324SS..EExtended strand (participates in β ladder)trans-146.7138.517762.7-175.96.600109.7L53 Y54Q43-L53 VanDerWaalsContact CA-O 3.29Å; Q43-L53 WeakPolarHBondContact CA-O 3.41Å; Q43-Y54 HydrophobicContact CB-CD1 4.19Å; Q43-Y54 HydrophobicContact CB-CE1 4.35Å
44V92.4Very high88.3Confident9 Ų964.9 Ų64.96%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-130.4131.5177178.30000109V41 I46 L53 I55 E149 V152 E153V41-V44 HydrophobicContact CG1-CG2 3.6Å; V44-I46 HydrophobicContact CG1-CD1 4.47Å; V44-L53 PolarHBondContact N-O 2.83Å; V44-L53 PolarHBondContact O-N 2.83Å; V44-I55 HydrophobicContact CG2-CD1 4.09Å; V44-E149 HydrophobicContact CG2-CG 4.27Å; V44-V152 HydrophobicContact CB-CB 4.48Å; V44-V152 HydrophobicContact CB-CG1 3.75Å; V44-V152 HydrophobicContact CG1-CG1 4.34Å; V44-V152 HydrophobicContact CG2-CB 3.93Å; V44-V152 HydrophobicContact CG2-CG1 3.6Å; V44-V152 HydrophobicContact CG2-CG2 4.35Å; V44-E153 HydrophobicContact CG1-CG 4.38Å
45N89.9Confident88.3Confident99 Ų9965.3 Ų65.353%0.52932%0.323SS..EExtended strand (participates in β ladder)trans-82.8117.7173.5-172.7-3.4000108.9R47 R51 L52N45-R47 PolarHBondContact O-N 2.87Å; N45-R51 PolarHBondContact OD1-O 2.88Å; N45-L52 HydrophobicContact CB-CD2 4.02Å
46I86.5Confident88.2Confident13 Ų1365 Ų657%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-77.5118-178.7-55.4-56.5000108.9V44 S49 R51 L53 F156V44-I46 HydrophobicContact CG1-CD1 4.47Å; I46-S49 PolarHBondContact O-N 2.79Å; I46-S49 PolarHBondContact O-OG 2.97Å; I46-R51 PolarHBondContact N-O 2.81Å; I46-L53 HydrophobicContact CD1-CB 4.08Å; I46-L53 HydrophobicContact CG1-CB 4.28Å; I46-F156 HydrophobicContact CB-CD1 4.42Å; I46-F156 HydrophobicContact CB-CE1 4.41Å; I46-F156 HydrophobicContact CD1-CB 3.71Å; I46-F156 HydrophobicContact CD1-CD1 4.04Å; I46-F156 HydrophobicContact CD1-CD2 3.89Å; I46-F156 HydrophobicContact CD1-CG 3.56Å; I46-F156 HydrophobicContact CG1-CB 4.45Å; I46-F156 HydrophobicContact CG1-CD1 4.03Å; I46-F156 HydrophobicContact CG1-CD2 3.73Å; I46-F156 HydrophobicContact CG1-CE1 4.29Å; I46-F156 HydrophobicContact CG1-CE2 3.97Å; I46-F156 HydrophobicContact CG1-CG 3.76Å; I46-F156 HydrophobicContact CG1-CZ 4.25Å; I46-F156 HydrophobicContact CG2-CD1 3.55Å; I46-F156 HydrophobicContact CG2-CE1 3.51Å; I46-F156 HydrophobicContact CG2-CG 4.18Å; I46-F156 HydrophobicContact CG2-CZ 4.08Å
47R71.3Confident88.2Confident154 Ų15458.5 Ų58.558%0.58129%0.293SS*.THydrogen-bonded Turntrans-48.7140.5176.9-54.7-178.2-147.2-170.310.6109.9N45 S49 D150 E153N45-R47 PolarHBondContact O-N 2.87Å; R47-S49 VanDerWaalsContact C-N 3.27Å; R47-S49 PolarHBondContact O-N 2.83Å; R47-S49 VanDerWaalsContact O-N 3.15Å; R47-D150 IonicContact NH2-OD1 2.9Å; R47-E153 IonicContact CZ-OE1 3.45Å; R47-E153 VanDerWaalsContact CZ-OE1 3.26Å; R47-E153 IonicContact CZ-OE2 3.69Å; R47-E153 IonicContact NE-OE1 2.9Å; R47-E153 PolarHBondContact NE-OE1 2.88Å; R47-E153 IonicContact NE-OE2 3.57Å; R47-E153 VanDerWaalsContact NH2-CD 3.31Å; R47-E153 IonicContact NH2-OE1 2.81Å; R47-E153 PolarHBondContact NH2-OE1 2.81Å; R47-E153 IonicContact NH2-OE2 3.36Å; R47-E153 PolarHBondContact NH2-OE2 2.85Å
48D65.9Low88.1Confident179 Ų17959.1 Ų59.196%0.95730%0.295SS*.THydrogen-bonded Turntrans69.7-3.2177.9-48-40.9000118
49S67.7Low87.9Confident35 Ų3563 Ų6325%0.24531%0.313CS..THydrogen-bonded Turntrans-123.9-3.2-176710000117.4I46 R47 R51I46-S49 PolarHBondContact O-N 2.79Å; I46-S49 PolarHBondContact O-OG 2.97Å; R47-S49 VanDerWaalsContact C-N 3.27Å; R47-S49 PolarHBondContact O-N 2.83Å; R47-S49 VanDerWaalsContact O-N 3.15Å; S49-R51 VanDerWaalsContact CB-NE 3.31Å; S49-R51 WeakPolarHBondContact O-CG 3.35Å; S49-R51 PolarHBondContact O-N 2.99Å; S49-R51 PolarHBondContact OG-NE 2.98Å; S49-R51 VanDerWaalsContact OG-NE 3.08Å
50Q74.5Confident87.5Confident187 Ų18768.2 Ų68.287%0.87433%0.332SS*.THydrogen-bonded Turntrans5115-171.2-62.6-163.8-11.600114.4
51R85.9Confident87.1Confident52 Ų5266.3 Ų66.320%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-90.6141-180-67.3-179.6-69.9-174.3-8.3110N45 I46 S49 E160 A216 M218N45-R51 PolarHBondContact OD1-O 2.88Å; I46-R51 PolarHBondContact N-O 2.81Å; S49-R51 VanDerWaalsContact CB-NE 3.31Å; S49-R51 WeakPolarHBondContact O-CG 3.35Å; S49-R51 PolarHBondContact O-N 2.99Å; S49-R51 PolarHBondContact OG-NE 2.98Å; S49-R51 VanDerWaalsContact OG-NE 3.08Å; R51-E160 IonicContact CZ-OE1 3.39Å; R51-E160 VanDerWaalsContact NH1-CD 3.34Å; R51-E160 IonicContact NH1-OE1 2.66Å; R51-E160 PolarHBondContact NH1-OE1 3.43Å; R51-E160 IonicContact NH1-OE2 3.94Å; R51-E160 PolarHBondContact NH1-OE2 3.36Å; R51-E160 IonicContact NH2-OE1 3.7Å; R51-A216 WeakPolarHBondContact CD-O 3.18Å; R51-M218 PolarHBondContact NH1-SD 2.83Å
52L88.5Confident86.7Confident63 Ų6368.6 Ų68.633%0.3333%0.327SS..EExtended strand (participates in β ladder)trans-102.1125.5172.5-70.7167.6000109.1N45 Y54N45-L52 HydrophobicContact CB-CD2 4.02Å; L52-Y54 HydrophobicContact CB-CE2 4.08Å
53L92.6Very high86.3Confident0 Ų069 Ų690%033%0.328CS..EExtended strand (participates in β ladder)trans-94.7127.2168.6-177.661.2000108.8V16 Q43 V44 I46 I55 V152 F156 L159 Q215V16-L53 HydrophobicContact CG1-CD1 3.95Å; V16-L53 HydrophobicContact CG2-CD1 4.09Å; V16-L53 HydrophobicContact CG2-CD2 4.24Å; V16-L53 HydrophobicContact CG2-CG 4.17Å; Q43-L53 VanDerWaalsContact CA-O 3.29Å; Q43-L53 WeakPolarHBondContact CA-O 3.41Å; V44-L53 PolarHBondContact N-O 2.83Å; V44-L53 PolarHBondContact O-N 2.83Å; I46-L53 HydrophobicContact CD1-CB 4.08Å; I46-L53 HydrophobicContact CG1-CB 4.28Å; L53-I55 VanDerWaalsContact O-CD1 3.32Å; L53-I55 WeakPolarHBondContact O-CD1 3.35Å; L53-V152 HydrophobicContact CD2-CG1 3.57Å; L53-V152 HydrophobicContact CG-CG1 4.27Å; L53-F156 HydrophobicContact CB-CD2 4.49Å; L53-F156 HydrophobicContact CD1-CD2 4.48Å; L53-F156 HydrophobicContact CD2-CB 3.85Å; L53-F156 HydrophobicContact CD2-CD2 4.16Å; L53-F156 HydrophobicContact CD2-CG 4.49Å; L53-L159 HydrophobicContact CD1-CD2 4.14Å; L53-Q215 WeakPolarHBondContact CD1-O 3.34Å
54Y94.3Very high86Confident68 Ų6868.9 Ų68.927%0.26733%0.327SS..EExtended strand (participates in β ladder)trans-100.8136.7178-64.1-85.1000110.9Q14 T15 V16 Q43 L52Q14-Y54 HydrophobicContact CG-CD2 4.15Å; T15-Y54 CarbonylContact C-O 3.59Å; T15-Y54 VanDerWaalsContact CA-O 3.28Å; T15-Y54 WeakPolarHBondContact CA-O 3.29Å; V16-Y54 WeakPolarHBondContact CG2-O 3.47Å; V16-Y54 PolarHBondContact N-O 2.79Å; Q43-Y54 HydrophobicContact CB-CD1 4.19Å; Q43-Y54 HydrophobicContact CB-CE1 4.35Å; L52-Y54 HydrophobicContact CB-CE2 4.08Å
55I95.1Very high85.7Confident10 Ų1069 Ų695%0.05133%0.328CS..EExtended strand (participates in β ladder)trans-123.4129.9-172.7-51.191.9000110.4V16 V18 S42 V44 L53 Y57 V152V16-I55 HydrophobicContact CG2-CB 4.34Å; V16-I55 HydrophobicContact CG2-CG1 3.86Å; V16-I55 HydrophobicContact CG2-CG2 4.3Å; V18-I55 HydrophobicContact CB-CG2 4.19Å; V18-I55 HydrophobicContact CG2-CG2 3.61Å; S42-I55 PolarHBondContact O-N 2.8Å; V44-I55 HydrophobicContact CG2-CD1 4.09Å; L53-I55 VanDerWaalsContact O-CD1 3.32Å; L53-I55 WeakPolarHBondContact O-CD1 3.35Å; I55-Y57 HydrophobicContact CB-CE2 3.88Å; I55-Y57 HydrophobicContact CG2-CD1 4.24Å; I55-Y57 HydrophobicContact CG2-CD2 4.07Å; I55-Y57 HydrophobicContact CG2-CE1 3.71Å; I55-Y57 HydrophobicContact CG2-CE2 3.53Å; I55-Y57 HydrophobicContact CG2-CG 4.41Å; I55-V152 HydrophobicContact CD1-CG1 3.62Å; I55-V152 HydrophobicContact CD1-CG2 4.09Å; I55-V152 HydrophobicContact CG1-CG1 3.84Å; I55-V152 HydrophobicContact CG1-CG2 3.88Å
56R94Very high85.7Confident28 Ų2864.8 Ų64.811%0.10631%0.305CS..EExtended strand (participates in β ladder)trans-109.5111.5175-169.5179.2-163.2-146.56.9109.1D5 D12 T15 V16 L17 V18D5-R56 IonicContact OD1-NH2 2.57Å; D5-R56 IonicContact OD2-CZ 3.59Å; D5-R56 VanDerWaalsContact OD2-CZ 3.28Å; D5-R56 IonicContact OD2-NH1 3.54Å; D5-R56 PolarHBondContact OD2-NH1 2.94Å; D5-R56 IonicContact OD2-NH2 2.66Å; D5-R56 PolarHBondContact OD2-NH2 2.8Å; D12-R56 WeakPolarHBondContact OD1-CD 3.31Å; D12-R56 IonicContact OD1-CZ 3.71Å; D12-R56 IonicContact OD1-NE 3.22Å; D12-R56 PolarHBondContact OD1-NE 2.83Å; D12-R56 IonicContact OD1-NH2 2.89Å; D12-R56 IonicContact OD2-CZ 2.74Å; D12-R56 IonicContact OD2-NE 3.68Å; D12-R56 IonicContact OD2-NH1 2.68Å; D12-R56 IonicContact OD2-NH2 3.44Å; D12-R56 PolarHBondContact OD2-NH2 2.88Å; T15-R56 HydrophobicContact CG2-CB 4.41Å; V16-R56 PolarHBondContact O-N 3.32Å; L17-R56 WeakPolarHBondContact CA-O 3.49Å; L17-R56 HydrophobicContact CD1-CG 4.47Å; V18-R56 PolarHBondContact N-O 2.74Å
57Y94.9Very high85.8Confident17 Ų1769.8 Ų69.87%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-91.9136.2176.2-58.1-85.8000111.4V18 V20 Y35 I38 A39 V41 I55 I81 V148V18-Y57 HydrophobicContact CB-CD1 3.65Å; V18-Y57 HydrophobicContact CB-CE1 3.84Å; V18-Y57 HydrophobicContact CG1-CD1 3.69Å; V18-Y57 HydrophobicContact CG1-CE1 3.79Å; V18-Y57 HydrophobicContact CG2-CE1 4.24Å; V18-Y57 CarbonylContact O-C 3.55Å; V18-Y57 VanDerWaalsContact O-CA 3.29Å; V18-Y57 WeakPolarHBondContact O-CA 3.45Å; V20-Y57 HydrophobicContact CG2-CD1 3.86Å; V20-Y57 HydrophobicContact CG2-CG 4.48Å; Y35-Y57 PolarHBondContact OH-O 3.04Å; Y35-Y57 VanDerWaalsContact OH-O 3.08Å; I38-Y57 HydrophobicContact CG2-CD1 3.65Å; I38-Y57 HydrophobicContact CG2-CE1 3.49Å; I38-Y57 VanDerWaalsContact CG2-CE1 3.49Å; I38-Y57 HydrophobicContact CG2-CG 4.3Å; A39-Y57 HydrophobicContact CB-CD2 4.13Å; A39-Y57 HydrophobicContact CB-CG 4.5Å; V41-Y57 WeakPolarHBondContact O-CE2 3.48Å; V41-Y57 PolarHBondContact O-OH 2.79Å; I55-Y57 HydrophobicContact CB-CE2 3.88Å; I55-Y57 HydrophobicContact CG2-CD1 4.24Å; I55-Y57 HydrophobicContact CG2-CD2 4.07Å; I55-Y57 HydrophobicContact CG2-CE1 3.71Å; I55-Y57 HydrophobicContact CG2-CE2 3.53Å; I55-Y57 HydrophobicContact CG2-CG 4.41Å; Y57-I81 HydrophobicContact CE1-CD1 4.23Å; Y57-V148 VanDerWaalsContact OH-CG1 3.28Å; Y57-V148 WeakPolarHBondContact OH-CG1 3.26Å
58R92.8Very high86.8Confident66 Ų6662.7 Ų62.725%0.24930%0.301CS..EExtended strand (participates in β ladder)trans-132.3129.2173.4-67.7-62.3-161.8169.912.5110.3D5 L17 V18 V19 V20D5-R58 VanDerWaalsContact CG-NH2 3.25Å; D5-R58 IonicContact OD1-NH2 3.5Å; D5-R58 PolarHBondContact OD1-NH2 3.01Å; D5-R58 IonicContact OD2-CZ 3.66Å; D5-R58 IonicContact OD2-NH2 2.75Å; D5-R58 PolarHBondContact OD2-NH2 2.81Å; L17-R58 HydrophobicContact CD1-CB 4.24Å; L17-R58 HydrophobicContact CD1-CG 3.67Å; V18-R58 PolarHBondContact O-N 2.86Å; V19-R58 CarbonylContact C-O 3.55Å; V19-R58 VanDerWaalsContact CA-O 3.28Å; V19-R58 WeakPolarHBondContact CA-O 3.39Å; V20-R58 PolarHBondContact N-O 2.99Å
59H91.7Very high87.9Confident80 Ų8054.1 Ų54.137%0.3726%0.256SS..SBendtrans-89.4-15.3172.358.7-82.2000113.5V20 F31 F32 Y35V20-H59 WeakPolarHBondContact O-CA 3.47Å; F31-H59 HydrophobicContact CE1-CB 3.91Å; F31-H59 HydrophobicContact CZ-CB 3.86Å; F32-H59 AromaticContact CE1-CD2 3.97Å; F32-H59 AromaticContact CE1-NE2 3.89Å; Y35-H59 HydrophobicContact CD2-CB 4Å; Y35-H59 AromaticContact CE1-ND1 3.98Å; Y35-H59 HydrophobicContact CE2-CB 3.63Å; Y35-H59 AromaticContact CE2-ND1 3.81Å; Y35-H59 AromaticContact CZ-ND1 3.49Å; Y35-H59 PolarHBondContact OH-ND1 3.24Å
60H86.4Confident89Confident142 Ų14255.2 Ų55.266%0.65726%0.259SS*.SBendtrans-131.5115.8173.1-172.679.9000108.9
61Y87.2Confident90Very high23 Ų2346.3 Ų46.39%0.0922%0.217CC..  trans-147.5121.9179.3-168.6-100.5000110.8L17 V19 N65 N66 R75 V77 Y106L17-Y61 HydrophobicContact CD2-CD1 4.21Å; L17-Y61 HydrophobicContact CD2-CD2 4.01Å; L17-Y61 HydrophobicContact CD2-CE1 3.81Å; L17-Y61 HydrophobicContact CD2-CE2 3.59Å; L17-Y61 HydrophobicContact CD2-CG 4.29Å; L17-Y61 VanDerWaalsContact CD2-CZ 3.48Å; V19-Y61 HydrophobicContact CG2-CD1 4.43Å; V19-Y61 HydrophobicContact CG2-CG 4.36Å; Y61-N65 HydrophobicContact CE1-CB 3.93Å; Y61-N65 HydrophobicContact CE2-CB 4.11Å; Y61-N65 VanDerWaalsContact OH-CB 3.24Å; Y61-N65 WeakPolarHBondContact OH-CB 3.31Å; Y61-N66 HydrophobicContact CE1-CB 4.19Å; Y61-R75 WeakPolarHBondContact OH-CB 3.47Å; Y61-R75 PolarHBondContact OH-O 2.75Å; Y61-V77 HydrophobicContact CD1-CG2 3.57Å; Y61-V77 HydrophobicContact CE1-CG2 3.65Å; Y61-Y106 PolarHBondContact O-OH 3.33Å
62L84.7Confident90.3Very high57 Ų5743.9 Ų43.930%0.29821%0.208SC..  trans-73128.7-178-65.1174.4000110.9V3 E64 N65V3-L62 HydrophobicContact CB-CD1 4.16Å; V3-L62 HydrophobicContact CG2-CD1 3.79Å; L62-E64 PolarHBondContact O-N 3.43Å; L62-N65 WeakPolarHBondContact O-CB 3.42Å; L62-N65 PolarHBondContact O-N 2.79Å
63P84.5Confident90.6Very high65 Ų6541 Ų4142%0.42219%0.193SC..Hα-helixtrans-56-31.9177.1-27.936000114.1N65 N66 E67 V105P63-N65 PolarHBondContact O-N 3.36Å; P63-N66 WeakPolarHBondContact O-CA 3.46Å; P63-N66 WeakPolarHBondContact O-CB 3.48Å; P63-N66 PolarHBondContact O-N 3.45Å; P63-E67 PolarHBondContact O-N 3.49Å; P63-V105 HydrophobicContact CG-CG1 4.04Å
64E84.5Confident90.6Very high99 Ų9941 Ų4146%0.46319%0.193SC..Hα-helixtrans-58.8-29.1175.9-62.8-178.7-176.800113.4S2 L62 N66S2-E64 WeakPolarHBondContact CB-OE2 3.32Å; S2-E64 PolarHBondContact OG-OE2 2.93Å; L62-E64 PolarHBondContact O-N 3.43Å; E64-N66 VanDerWaalsContact C-N 3.34Å
65N87.6Confident90.5Very high12 Ų1238 Ų386%0.06418%0.181CC..Hα-helixtrans-74.4-29176.7-68.9-10.4000111.4M1 Y61 L62 P63 E67 W68M1-N65 VanDerWaalsContact CG-OD1 3.23Å; M1-N65 WeakPolarHBondContact CG-OD1 3.49Å; Y61-N65 HydrophobicContact CE1-CB 3.93Å; Y61-N65 HydrophobicContact CE2-CB 4.11Å; Y61-N65 VanDerWaalsContact OH-CB 3.24Å; Y61-N65 WeakPolarHBondContact OH-CB 3.31Å; L62-N65 WeakPolarHBondContact O-CB 3.42Å; L62-N65 PolarHBondContact O-N 2.79Å; P63-N65 PolarHBondContact O-N 3.36Å; N65-E67 VanDerWaalsContact C-N 3.28Å; N65-E67 PolarHBondContact O-N 3.36Å; N65-W68 PolarHBondContact O-N 3.17Å
66N89.4Confident90.4Very high10 Ų1038.2 Ų38.25%0.05318%0.182CC..Hα-helixtrans-65.5-31.5176.2-166.247.8000111.7Y61 P63 E64 W68 G69 K76 V77 T109Y61-N66 HydrophobicContact CE1-CB 4.19Å; P63-N66 WeakPolarHBondContact O-CA 3.46Å; P63-N66 WeakPolarHBondContact O-CB 3.48Å; P63-N66 PolarHBondContact O-N 3.45Å; E64-N66 VanDerWaalsContact C-N 3.34Å; N66-W68 PolarHBondContact O-N 3.23Å; N66-G69 WeakPolarHBondContact O-CA 3.35Å; N66-G69 PolarHBondContact O-N 2.65Å; N66-K76 WeakPolarHBondContact OD1-CA 3.27Å; N66-V77 PolarHBondContact OD1-N 3.22Å; N66-T109 PolarHBondContact ND2-OG1 3.31Å; N66-T109 PolarHBondContact OD1-OG1 2.96Å
67E88.3Confident90.5Very high118 Ų11836.9 Ų36.955%0.55118%0.177SC*.THydrogen-bonded Turntrans-63.6-20.6178.1-56.4-169.7156.300113.5P63 N65 P181P63-E67 PolarHBondContact O-N 3.49Å; N65-E67 VanDerWaalsContact C-N 3.28Å; N65-E67 PolarHBondContact O-N 3.36Å; E67-P181 HydrophobicContact CB-CG 3.69Å
68W91.7Very high90.6Very high5 Ų536.2 Ų36.22%0.01917%0.174CC..THydrogen-bonded Turntrans-862.8173.9-7174.5000112.9M1 N65 N66 D70 F71 Q72 V180 P181 F182 I342M1-W68 HydrophobicContact CB-CZ2 4.13Å; M1-W68 HydrophobicContact CE-CB 3.6Å; M1-W68 HydrophobicContact CE-CD2 3.62Å; M1-W68 HydrophobicContact CE-CE3 4.26Å; M1-W68 HydrophobicContact CE-CG 3.29Å; N65-W68 PolarHBondContact O-N 3.17Å; N66-W68 PolarHBondContact O-N 3.23Å; W68-D70 VanDerWaalsContact C-N 3.3Å; W68-D70 PolarHBondContact O-N 2.87Å; W68-F71 HydrophobicContact CE3-CB 4.45Å; W68-F71 AromaticContact CE3-CD1 3.85Å; W68-F71 HydrophobicContact CE3-CD1 3.85Å; W68-F71 HydrophobicContact CE3-CE1 4.46Å; W68-F71 HydrophobicContact CE3-CG 4.36Å; W68-F71 HydrophobicContact CZ3-CD1 4.18Å; W68-F71 HydrophobicContact CZ3-CE1 4.37Å; W68-F71 WeakPolarHBondContact O-CA 3.47Å; W68-F71 VanDerWaalsContact O-CB 3.27Å; W68-F71 WeakPolarHBondContact O-CB 3.31Å; W68-F71 PolarHBondContact O-N 3.49Å; W68-Q72 PolarHBondContact O-N 3.22Å; W68-V180 HydrophobicContact CE3-CB 4.37Å; W68-V180 HydrophobicContact CE3-CG1 4.39Å; W68-V180 HydrophobicContact CZ3-CB 4.3Å; W68-V180 HydrophobicContact CZ3-CG1 4.34Å; W68-P181 HydrophobicContact CD2-CG 4.48Å; W68-P181 HydrophobicContact CG-CG 4.33Å; W68-F182 HydrophobicContact CH2-CD1 4.1Å; W68-F182 AromaticContact CH2-CE1 3.56Å; W68-F182 HydrophobicContact CH2-CE1 3.56Å; W68-F182 HydrophobicContact CZ2-CD1 4.16Å; W68-F182 HydrophobicContact CZ2-CE1 4.09Å; W68-F182 HydrophobicContact CZ3-CE1 4.28Å; W68-I342 HydrophobicContact CE3-CD1 4.14Å; W68-I342 HydrophobicContact CE3-CG1 4.16Å; W68-I342 HydrophobicContact CH2-CG1 4.25Å; W68-I342 HydrophobicContact CZ3-CD1 4.27Å; W68-I342 HydrophobicContact CZ3-CG1 3.77Å
69G90.7Very high90.7Very high0 Ų033 Ų330%016%0.163CC..THydrogen-bonded Turntrans-60.9-33-176.400000114.3N66 F71 Q72 T73 K76N66-G69 WeakPolarHBondContact O-CA 3.35Å; N66-G69 PolarHBondContact O-N 2.65Å; G69-F71 PolarHBondContact O-N 2.86Å; G69-Q72 WeakPolarHBondContact CA-O 3.25Å; G69-Q72 CarbonylContact O-C 3.58Å; G69-Q72 PolarHBondContact O-N 3.35Å; G69-T73 WeakPolarHBondContact O-CA 3.25Å; G69-T73 PolarHBondContact O-N 2.92Å; G69-K76 WeakPolarHBondContact O-CE 3.18Å
70D90.1Very high91Very high57 Ų5729.2 Ų29.231%0.30515%0.145SC..THydrogen-bonded Turntrans-67.3-29.3175.4-77.6-28.3000112.6W68 K76 H208 W241W68-D70 VanDerWaalsContact C-N 3.3Å; W68-D70 PolarHBondContact O-N 2.87Å; D70-K76 VanDerWaalsContact OD1-CE 3.25Å; D70-K76 WeakPolarHBondContact OD1-CE 3.44Å; D70-K76 IonicContact OD1-NZ 2.8Å; D70-K76 PolarHBondContact OD1-NZ 3.13Å; D70-H208 PolarHBondContact O-ND1 2.97Å; D70-H208 IonicContact OD1-CE1 3.89Å; D70-W241 WeakPolarHBondContact O-CH2 3.33Å
71F94.4Very high91.5Very high1 Ų122.6 Ų22.60%0.00411%0.114CC..THydrogen-bonded Turntrans-79.5-39.2176.2-172.2-115.3000112.5W68 G69 V180 K207 L240 W241 A244 Y333 I342W68-F71 HydrophobicContact CE3-CB 4.45Å; W68-F71 AromaticContact CE3-CD1 3.85Å; W68-F71 HydrophobicContact CE3-CD1 3.85Å; W68-F71 HydrophobicContact CE3-CE1 4.46Å; W68-F71 HydrophobicContact CE3-CG 4.36Å; W68-F71 HydrophobicContact CZ3-CD1 4.18Å; W68-F71 HydrophobicContact CZ3-CE1 4.37Å; W68-F71 WeakPolarHBondContact O-CA 3.47Å; W68-F71 VanDerWaalsContact O-CB 3.27Å; W68-F71 WeakPolarHBondContact O-CB 3.31Å; W68-F71 PolarHBondContact O-N 3.49Å; G69-F71 PolarHBondContact O-N 2.86Å; F71-V180 HydrophobicContact CB-CG1 3.77Å; F71-V180 HydrophobicContact CD1-CG1 4.38Å; F71-V180 HydrophobicContact CD2-CG1 3.41Å; F71-V180 VanDerWaalsContact CD2-CG1 3.41Å; F71-V180 HydrophobicContact CE2-CG1 4.02Å; F71-V180 HydrophobicContact CG-CG1 3.6Å; F71-K207 PolarHBondContact O-NZ 2.9Å; F71-L240 HydrophobicContact CE2-CD1 4.34Å; F71-L240 HydrophobicContact CE2-CD2 4.36Å; F71-L240 HydrophobicContact CE2-CG 3.76Å; F71-L240 HydrophobicContact CZ-CD1 3.83Å; F71-L240 HydrophobicContact CZ-CG 3.77Å; F71-L240 WeakPolarHBondContact CZ-O 3.15Å; F71-W241 HydrophobicContact CB-CH2 4.39Å; F71-W241 AromaticContact CD2-CD2 3.79Å; F71-W241 HydrophobicContact CD2-CD2 3.79Å; F71-W241 AromaticContact CD2-CE2 3.66Å; F71-W241 HydrophobicContact CD2-CE3 4.04Å; F71-W241 HydrophobicContact CD2-CG 4.37Å; F71-W241 HydrophobicContact CD2-CH2 4.09Å; F71-W241 AromaticContact CD2-CZ2 3.84Å; F71-W241 HydrophobicContact CD2-CZ2 3.84Å; F71-W241 HydrophobicContact CD2-CZ3 4.18Å; F71-W241 AromaticContact CE2-CD2 3.97Å; F71-W241 HydrophobicContact CE2-CD2 3.97Å; F71-W241 HydrophobicContact CE2-CE3 4.43Å; F71-W241 HydrophobicContact CE2-CG 4.08Å; F71-A244 HydrophobicContact CD2-CB 4.26Å; F71-A244 HydrophobicContact CE1-CB 4.06Å; F71-A244 HydrophobicContact CE2-CB 3.59Å; F71-A244 HydrophobicContact CZ-CB 3.5Å; F71-A244 VanDerWaalsContact CZ-CB 3.5Å; F71-Y333 HydrophobicContact CE1-CE1 4.36Å; F71-Y333 AromaticContact CZ-CE1 3.98Å; F71-Y333 HydrophobicContact CZ-CE1 3.98Å; F71-I342 HydrophobicContact CE1-CG2 4.23Å
72Q93.9Very high91.9Very high1 Ų121.5 Ų21.51%0.00511%0.11CC..  trans-140.2100178.8-77.2177.3-2200109.1W68 G69 H74 R75 E247W68-Q72 PolarHBondContact O-N 3.22Å; G69-Q72 WeakPolarHBondContact CA-O 3.25Å; G69-Q72 CarbonylContact O-C 3.58Å; G69-Q72 PolarHBondContact O-N 3.35Å; Q72-H74 PolarHBondContact O-N 3.38Å; Q72-H74 VanDerWaalsContact O-N 3.17Å; Q72-R75 HydrophobicContact CB-CG 4.29Å; Q72-R75 WeakPolarHBondContact O-CB 3.44Å; Q72-R75 PolarHBondContact O-N 2.91Å; Q72-R75 VanDerWaalsContact OE1-CZ 3.26Å; Q72-E247 PolarHBondContact NE2-OE2 2.57Å
73T94.2Very high92.5Very high1 Ų118.8 Ų18.81%0.00610%0.096CC..G310 helixtrans-65.1-24-169.263.20000114.5G69 R75 K76 H208 D211 L212 Q215G69-T73 WeakPolarHBondContact O-CA 3.25Å; G69-T73 PolarHBondContact O-N 2.92Å; T73-R75 PolarHBondContact O-N 2.96Å; T73-R75 VanDerWaalsContact O-N 3.12Å; T73-K76 VanDerWaalsContact O-CB 3.32Å; T73-K76 WeakPolarHBondContact O-CB 3.46Å; T73-K76 PolarHBondContact O-N 2.89Å; T73-H208 WeakPolarHBondContact CG2-CE1 3.44Å; T73-D211 HydrophobicContact CG2-CB 3.77Å; T73-D211 WeakPolarHBondContact OG1-CB 3.24Å; T73-L212 HydrophobicContact CG2-CD2 4.3Å; T73-Q215 VanDerWaalsContact CB-OE1 3.29Å; T73-Q215 PolarHBondContact O-NE2 2.81Å; T73-Q215 VanDerWaalsContact OG1-CD 3.25Å; T73-Q215 PolarHBondContact OG1-OE1 3.11Å
74H93.1Very high93Very high2 Ų215.8 Ų15.81%0.0098%0.076CC..G310 helixtrans-65.5-9.5173.666.1-97000113.9D12 H13 Q72D12-H74 WeakPolarHBondContact O-CB 3.33Å; H13-H74 AromaticContact CD2-CE1 3.7Å; H13-H74 AromaticContact CD2-ND1 3.93Å; H13-H74 AromaticContact CE1-CE1 3.53Å; H13-H74 AromaticContact CE1-ND1 3.93Å; H13-H74 AromaticContact CG-CE1 3.8Å; H13-H74 AromaticContact CG-ND1 3.61Å; H13-H74 AromaticContact ND1-CE1 3.68Å; H13-H74 AromaticContact ND1-ND1 3.6Å; H13-H74 AromaticContact NE2-CE1 3.51Å; Q72-H74 PolarHBondContact O-N 3.38Å; Q72-H74 VanDerWaalsContact O-N 3.17Å
75R92.2Very high93.3Very high4 Ų412.6 Ų12.62%0.0156%0.064CC..G310 helixtrans-89.3-13.3169.3-62.4-167.6-167.3-100.7-4.2113.7M1 Q8 L17 Y61 Q72 T73 V77 I342 E345M1-R75 PolarHBondContact SD-NH1 3.39Å; M1-R75 VanDerWaalsContact SD-NH1 3.4Å; Q8-R75 VanDerWaalsContact NE2-NH1 3.14Å; L17-R75 WeakPolarHBondContact CD2-O 3.42Å; Y61-R75 WeakPolarHBondContact OH-CB 3.47Å; Y61-R75 PolarHBondContact OH-O 2.75Å; Q72-R75 HydrophobicContact CB-CG 4.29Å; Q72-R75 WeakPolarHBondContact O-CB 3.44Å; Q72-R75 PolarHBondContact O-N 2.91Å; Q72-R75 VanDerWaalsContact OE1-CZ 3.26Å; T73-R75 PolarHBondContact O-N 2.96Å; T73-R75 VanDerWaalsContact O-N 3.12Å; R75-V77 PolarHBondContact O-N 3.1Å; R75-I342 VanDerWaalsContact NH2-CD1 3.28Å; R75-E345 IonicContact CZ-OE2 2.96Å; R75-E345 VanDerWaalsContact CZ-OE2 3.31Å; R75-E345 IonicContact NH1-OE1 3.6Å; R75-E345 PolarHBondContact NH1-OE1 3.29Å; R75-E345 IonicContact NH1-OE2 3.2Å; R75-E345 PolarHBondContact NH1-OE2 2.81Å; R75-E345 IonicContact NH2-OE1 3.57Å; R75-E345 IonicContact NH2-OE2 3.86Å; R75-E345 PolarHBondContact NH2-OE2 2.83Å
76K92.9Very high93.4Very high14 Ų1412.2 Ų12.26%0.0616%0.062CC..SBendtrans-68.8120.4179.1-71.7-172.4178.1-169.80109.4L17 N66 G69 D70 T73 V78 T109L17-K76 WeakPolarHBondContact CB-O 3.29Å; N66-K76 WeakPolarHBondContact OD1-CA 3.27Å; G69-K76 WeakPolarHBondContact O-CE 3.18Å; D70-K76 VanDerWaalsContact OD1-CE 3.25Å; D70-K76 WeakPolarHBondContact OD1-CE 3.44Å; D70-K76 IonicContact OD1-NZ 2.8Å; D70-K76 PolarHBondContact OD1-NZ 3.13Å; T73-K76 VanDerWaalsContact O-CB 3.32Å; T73-K76 WeakPolarHBondContact O-CB 3.46Å; T73-K76 PolarHBondContact O-N 2.89Å; K76-V78 HydrophobicContact CB-CG1 3.97Å; K76-V78 PolarHBondContact O-N 2.79Å; K76-T109 HydrophobicContact CB-CG2 4.49Å; K76-T109 HydrophobicContact CD-CG2 4.34Å; K76-T109 HydrophobicContact CG-CG2 4.21Å
77V95.3Very high93.3Very high0 Ų016.7 Ų16.70%09%0.086CC..EExtended strand (participates in β ladder)trans-68.3102.4165.6-178.90000107.1L17 V19 Y61 N66 R75 G79 Y106 T109L17-V77 HydrophobicContact CD2-CG2 3.83Å; L17-V77 HydrophobicContact CG-CG2 4.39Å; V19-V77 HydrophobicContact CB-CG1 4.06Å; V19-V77 HydrophobicContact CG2-CB 4.33Å; V19-V77 HydrophobicContact CG2-CG1 3.65Å; V19-V77 HydrophobicContact CG2-CG2 3.67Å; Y61-V77 HydrophobicContact CD1-CG2 3.57Å; Y61-V77 HydrophobicContact CE1-CG2 3.65Å; N66-V77 PolarHBondContact OD1-N 3.22Å; R75-V77 PolarHBondContact O-N 3.1Å; V77-G79 WeakPolarHBondContact CG1-O 3.2Å; V77-Y106 HydrophobicContact CB-CD1 3.83Å; V77-Y106 HydrophobicContact CB-CE1 4.35Å; V77-Y106 HydrophobicContact CB-CG 4.16Å; V77-Y106 HydrophobicContact CG1-CD1 4.01Å; V77-Y106 HydrophobicContact CG1-CD2 4.26Å; V77-Y106 HydrophobicContact CG1-CE1 4.47Å; V77-Y106 HydrophobicContact CG1-CG 3.89Å; V77-Y106 HydrophobicContact CG2-CD1 3.85Å; V77-Y106 HydrophobicContact CG2-CE1 3.88Å; V77-T109 CarbonylContact O-C 3.52Å; V77-T109 WeakPolarHBondContact O-CB 3.4Å; V77-T109 PolarHBondContact O-OG1 3.5Å
78V96.4Very high93.2Very high3 Ų313 Ų132%0.0187%0.073CC..EExtended strand (participates in β ladder)trans-101.4-16.2179.8-63.10000112.1V16 L17 K76 Y111 D112 I155V16-V78 HydrophobicContact CB-CG2 3.71Å; V16-V78 HydrophobicContact CG1-CG2 4.17Å; L17-V78 PolarHBondContact O-N 2.89Å; K76-V78 HydrophobicContact CB-CG1 3.97Å; K76-V78 PolarHBondContact O-N 2.79Å; V78-Y111 HydrophobicContact CB-CD1 4.21Å; V78-Y111 HydrophobicContact CB-CD2 3.88Å; V78-Y111 HydrophobicContact CB-CE1 4.38Å; V78-Y111 HydrophobicContact CB-CE2 4.11Å; V78-Y111 HydrophobicContact CB-CG 3.92Å; V78-Y111 HydrophobicContact CG1-CD1 4.16Å; V78-Y111 HydrophobicContact CG1-CD2 4.08Å; V78-Y111 HydrophobicContact CG1-CE1 3.83Å; V78-Y111 HydrophobicContact CG1-CE2 3.79Å; V78-Y111 HydrophobicContact CG1-CG 4.25Å; V78-Y111 WeakPolarHBondContact O-CA 3.41Å; V78-Y111 WeakPolarHBondContact O-CB 3.35Å; V78-Y111 PolarHBondContact O-N 3.25Å; V78-D112 PolarHBondContact O-N 3.14Å; V78-I155 HydrophobicContact CG2-CG2 4.02Å
79G96.4Very high92.8Very high0 Ų014.2 Ų14.20%08%0.084CC..EExtended strand (participates in β ladder)trans-132.7146.5175.500000112.9L17 V18 V19 V77 D112L17-G79 PolarHBondContact O-N 3.41Å; V18-G79 WeakPolarHBondContact CA-O 3.33Å; V19-G79 PolarHBondContact N-O 3.24Å; V77-G79 WeakPolarHBondContact CG1-O 3.2Å; G79-D112 WeakPolarHBondContact CA-O 3.4Å
80L96.9Very high92.6Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-129.9123.6173.717765.6000110.2V19 Q102 K103 L110 D112 S113 R114V19-L80 HydrophobicContact CB-CD1 4.3Å; V19-L80 HydrophobicContact CG1-CD1 4.19Å; V19-L80 WeakPolarHBondContact O-CA 3.41Å; L80-Q102 HydrophobicContact CD2-CB 4.04Å; L80-K103 HydrophobicContact CD2-CG 4.11Å; L80-L110 HydrophobicContact CB-CD1 3.71Å; L80-L110 HydrophobicContact CB-CD2 4.49Å; L80-D112 PolarHBondContact N-O 3.25Å; L80-S113 CarbonylContact O-C 3.5Å; L80-S113 WeakPolarHBondContact O-CA 3.18Å; L80-R114 PolarHBondContact O-N 3.39Å
81I97.3Very high92.4Very high2 Ų224 Ų241%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-115.1117.3170.1-57.7172.8000108.5V18 V19 V20 Q21 I38 Y57 R114 L116 V148 F151V18-I81 HydrophobicContact CG1-CD1 4.07Å; V18-I81 HydrophobicContact CG1-CG1 4.07Å; V19-I81 PolarHBondContact O-N 2.73Å; V20-I81 CarbonylContact C-O 3.59Å; V20-I81 VanDerWaalsContact CA-O 3.22Å; V20-I81 WeakPolarHBondContact CA-O 3.47Å; V20-I81 HydrophobicContact CG1-CB 4.44Å; V20-I81 HydrophobicContact CG2-CB 4.38Å; Q21-I81 PolarHBondContact N-O 3.44Å; I38-I81 HydrophobicContact CD1-CG2 3.86Å; I38-I81 HydrophobicContact CG2-CD1 3.68Å; Y57-I81 HydrophobicContact CE1-CD1 4.23Å; I81-R114 CarbonylContact C-O 3.54Å; I81-R114 WeakPolarHBondContact CA-O 3.42Å; I81-L116 HydrophobicContact CG2-CD1 4.16Å; I81-L116 HydrophobicContact CG2-CG 4.11Å; I81-V148 HydrophobicContact CD1-CG2 4.33Å; I81-F151 HydrophobicContact CD1-CD1 3.9Å; I81-F151 HydrophobicContact CD1-CE1 3.72Å; I81-F151 HydrophobicContact CG1-CD1 4.15Å; I81-F151 HydrophobicContact CG1-CE1 3.67Å; I81-F151 HydrophobicContact CG1-CZ 3.99Å
82C96.4Very high92.1Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-100135.7174.8-710000110.4Q21 V23 F99 R114 L115 L116Q21-C82 CarbonylContact O-C 3.57Å; Q21-C82 VanDerWaalsContact O-CA 3.28Å; Q21-C82 WeakPolarHBondContact O-CA 3.36Å; V23-C82 HydrophobicContact CG2-CB 3.62Å; C82-F99 HydrophobicContact CB-CD2 3.65Å; C82-F99 HydrophobicContact CB-CE2 3.86Å; C82-R114 PolarHBondContact N-O 3.49Å; C82-L115 HydrophobicContact CB-CD1 3.53Å; C82-L115 CarbonylContact O-C 3.51Å; C82-L115 WeakPolarHBondContact O-CA 3.41Å; C82-L116 PolarHBondContact O-N 2.98Å
83I96.2Very high91.8Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-111.9129175.1-63.5166000107.7V20 Q21 P22 V23 V26 F31 I34 I38 F118 F138V20-I83 HydrophobicContact CG1-CD1 3.84Å; V20-I83 HydrophobicContact CG1-CG1 4.44Å; Q21-I83 PolarHBondContact O-N 2.97Å; P22-I83 CarbonylContact C-O 3.57Å; P22-I83 WeakPolarHBondContact CA-O 3.47Å; V23-I83 PolarHBondContact N-O 3.45Å; V26-I83 HydrophobicContact CG1-CG2 4.28Å; V26-I83 WeakPolarHBondContact CG2-O 3.42Å; F31-I83 HydrophobicContact CD2-CB 4.28Å; F31-I83 HydrophobicContact CD2-CD1 3.84Å; F31-I83 HydrophobicContact CE2-CD1 3.82Å; I34-I83 HydrophobicContact CB-CD1 3.97Å; I34-I83 HydrophobicContact CG2-CD1 3.59Å; I34-I83 HydrophobicContact CG2-CG1 4.15Å; I38-I83 HydrophobicContact CD1-CD1 3.85Å; I38-I83 HydrophobicContact CD1-CG1 4.34Å; I83-F118 HydrophobicContact CG2-CD2 4.14Å; I83-F118 HydrophobicContact CG2-CE2 3.9Å; I83-F138 HydrophobicContact CG2-CE1 4.3Å
84T94.6Very high91.6Very high2 Ų233.5 Ų33.51%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-142.1153.8-178.9-166.10000112.2V23 T95 L115 L116 V117 F118V23-T84 WeakPolarHBondContact O-CA 3.48Å; V23-T84 WeakPolarHBondContact O-CB 2.91Å; V23-T84 PolarHBondContact O-OG1 3.08Å; T84-T95 HydrophobicContact CG2-CG2 3.61Å; T84-L115 HydrophobicContact CG2-CD1 3.78Å; T84-L115 HydrophobicContact CG2-CG 4.26Å; T84-L116 PolarHBondContact N-O 3.46Å; T84-V117 HydrophobicContact CG2-CB 4.13Å; T84-V117 HydrophobicContact CG2-CG1 4.07Å; T84-V117 HydrophobicContact CG2-CG2 3.86Å; T84-F118 PolarHBondContact O-N 3.01Å
85T92.4Very high91.4Very high33 Ų3333.8 Ų33.820%0.20218%0.181CC..EExtended strand (participates in β ladder)trans-103.2129.316751.50000108.3I25 V26 F118 F138I25-T85 PolarHBondContact O-OG1 2.88Å; V26-T85 HydrophobicContact CG2-CG2 4.42Å; T85-F118 WeakPolarHBondContact CA-O 3.22Å; T85-F138 HydrophobicContact CG2-CE2 3.58Å; T85-F138 HydrophobicContact CG2-CZ 3.49Å; T85-F138 VanDerWaalsContact CG2-CZ 3.49Å
86C89.4Confident91.2Very high3 Ų334.7 Ų34.72%0.0219%0.189CC..  trans-137.2106175.4-172.80000107S88 V117 F118 G119 L120C86-S88 PolarHBondContact SG-O 3.1Å; C86-V117 HydrophobicContact CB-CG1 3.63Å; C86-F118 PolarHBondContact N-O 3.28Å; C86-G119 CarbonylContact O-C 3.56Å; C86-L120 HydrophobicContact CB-CD1 4.49Å; C86-L120 WeakPolarHBondContact O-CA 3.37Å; C86-L120 PolarHBondContact O-N 2.95Å
87N86.8Confident91.1Very high105 Ų10540.8 Ų40.856%0.56122%0.218SC*.  trans-88.4-17.7-172.4-64.5-24.2000113G119 Q121N87-G119 WeakPolarHBondContact CA-O 3.47Å; N87-Q121 WeakPolarHBondContact O-CB 3.46Å; N87-Q121 PolarHBondContact O-N 3.39Å
88S85.6Confident90.8Very high40 Ų4046 Ų4628%0.2824%0.237SC..BIsolated β-bridgetrans-139.5137.9-173.4170.90000110.6C86 K90 D91C86-S88 PolarHBondContact SG-O 3.1Å; S88-K90 PolarHBondContact O-N 2.87Å; S88-K90 PolarHBondContact OG-N 2.89Å; S88-D91 PolarHBondContact O-N 3.47Å
89A84.6Confident90.7Very high31 Ų3146 Ų4626%0.25624%0.237SC..G310 helixtrans-57.3-19.5175.200000113.6W92 Q121 I124A89-W92 WeakPolarHBondContact O-CB 3.45Å; A89-Q121 PolarHBondContact N-O 2.9Å; A89-I124 HydrophobicContact CB-CG1 4.14Å
90K84.9Confident90.4Very high185 Ų18551.1 Ų51.180%0.80426%0.261SS*.G310 helixtrans-71.7-28.1176-64.6-176.2-179.6178.40113.7S88 W92 P93S88-K90 PolarHBondContact O-N 2.87Å; S88-K90 PolarHBondContact OG-N 2.89Å; K90-W92 VanDerWaalsContact C-N 3.29Å; K90-P93 WeakPolarHBondContact O-CD 3.17Å
91D86.4Confident90.1Very high78 Ų7852.6 Ų52.642%0.41728%0.276SS..G310 helixtrans-87.6-5.7-178.1-56.3-32.7000111.9S88 Q94 T95S88-D91 PolarHBondContact O-N 3.47Å; D91-Q94 PolarHBondContact O-N 3.08Å; D91-T95 PolarHBondContact O-N 2.89Å; D91-T95 VanDerWaalsContact O-N 3.09Å; D91-T95 PolarHBondContact O-OG1 2.89Å
92W87.9Confident89.8Confident12 Ų1255.5 Ų55.55%0.04529%0.29CS..Hα-helixtrans-59.1-47.7-178175.4-111.5000113.8A89 K90 Q94 T95 A96 L115 V117 I124 E126 V132 F134A89-W92 WeakPolarHBondContact O-CB 3.45Å; K90-W92 VanDerWaalsContact C-N 3.29Å; W92-Q94 VanDerWaalsContact C-N 3.3Å; W92-Q94 PolarHBondContact O-N 2.95Å; W92-T95 HydrophobicContact CZ3-CG2 4.49Å; W92-T95 WeakPolarHBondContact O-CB 3.37Å; W92-T95 PolarHBondContact O-N 3.14Å; W92-A96 HydrophobicContact CZ2-CB 4.32Å; W92-A96 WeakPolarHBondContact O-CB 3.42Å; W92-A96 PolarHBondContact O-N 3.31Å; W92-L115 HydrophobicContact CH2-CD2 3.93Å; W92-L115 HydrophobicContact CZ3-CD2 4.11Å; W92-V117 HydrophobicContact CH2-CG2 4.23Å; W92-V117 HydrophobicContact CZ3-CG1 4.38Å; W92-V117 HydrophobicContact CZ3-CG2 3.72Å; W92-I124 HydrophobicContact CB-CD1 3.95Å; W92-I124 HydrophobicContact CB-CG1 4.28Å; W92-I124 VanDerWaalsContact CD1-CG2 3.46Å; W92-I124 HydrophobicContact CD2-CD1 3.55Å; W92-I124 HydrophobicContact CE3-CD1 3.94Å; W92-I124 HydrophobicContact CG-CD1 3.54Å; W92-I124 HydrophobicContact CG-CG1 4.11Å; W92-I124 HydrophobicContact CG-CG2 4.09Å; W92-E126 PolarHBondContact NE1-OE2 3.29Å; W92-V132 HydrophobicContact CH2-CG1 3.57Å; W92-V132 HydrophobicContact CH2-CG2 4.27Å; W92-V132 HydrophobicContact CZ2-CG1 4.27Å; W92-V132 HydrophobicContact CZ3-CG1 4.41Å; W92-F134 HydrophobicContact CE3-CE1 4.03Å; W92-F134 HydrophobicContact CE3-CZ 4.31Å; W92-F134 AromaticContact CH2-CE1 3.99Å; W92-F134 HydrophobicContact CH2-CE1 3.99Å; W92-F134 AromaticContact CH2-CZ 3.68Å; W92-F134 HydrophobicContact CH2-CZ 3.68Å; W92-F134 AromaticContact CZ2-CZ 3.94Å; W92-F134 HydrophobicContact CZ2-CZ 3.94Å; W92-F134 AromaticContact CZ3-CE1 3.69Å; W92-F134 HydrophobicContact CZ3-CE1 3.69Å; W92-F134 AromaticContact CZ3-CZ 3.87Å; W92-F134 HydrophobicContact CZ3-CZ 3.87Å
93P88.7Confident89.6Confident89 Ų8957.1 Ų57.158%0.57830%0.297SS*.Hα-helixtrans-58.3-41.2-179.5-24.835.5000112.8K90 A96 E97K90-P93 WeakPolarHBondContact O-CD 3.17Å; P93-A96 PolarHBondContact O-N 3.07Å; P93-E97 WeakPolarHBondContact O-CB 3.39Å; P93-E97 PolarHBondContact O-N 2.89Å
94Q88.4Confident89.3Confident101 Ų10162.7 Ų62.747%0.47232%0.323SS..Hα-helixtrans-67.6-37.4177.2-170.9-17943.200111.7D91 W92 R98D91-Q94 PolarHBondContact O-N 3.08Å; W92-Q94 VanDerWaalsContact C-N 3.3Å; W92-Q94 PolarHBondContact O-N 2.95Å; Q94-R98 VanDerWaalsContact O-CG 3.3Å; Q94-R98 WeakPolarHBondContact O-CG 3.36Å; Q94-R98 PolarHBondContact O-N 2.65Å
95T88.8Confident89.1Confident7 Ų766 Ų664%0.04334%0.343CS..Hα-helixtrans-67.7-42.6177.4-56.70000111.3T84 D91 W92 R98 F99T84-T95 HydrophobicContact CG2-CG2 3.61Å; D91-T95 PolarHBondContact O-N 2.89Å; D91-T95 VanDerWaalsContact O-N 3.09Å; D91-T95 PolarHBondContact O-OG1 2.89Å; W92-T95 HydrophobicContact CZ3-CG2 4.49Å; W92-T95 WeakPolarHBondContact O-CB 3.37Å; W92-T95 PolarHBondContact O-N 3.14Å; T95-R98 PolarHBondContact O-N 3.07Å; T95-F99 PolarHBondContact O-N 3.16Å
96A87.9Confident89Confident23 Ų2364.5 Ų64.519%0.1933%0.334CS..Hα-helixtrans-63.6-41.2175.700000112W92 P93 F99 H100W92-A96 HydrophobicContact CZ2-CB 4.32Å; W92-A96 WeakPolarHBondContact O-CB 3.42Å; W92-A96 PolarHBondContact O-N 3.31Å; P93-A96 PolarHBondContact O-N 3.07Å; A96-F99 PolarHBondContact O-N 3.2Å; A96-H100 PolarHBondContact O-N 2.85Å
97E90.7Very high88.9Confident143 Ų14368.4 Ų68.467%0.66836%0.361SS*.Hα-helixtrans-63.2-44.4174.7-173.6-179.3-165.900111.8P93 F99 H100 G101P93-E97 WeakPolarHBondContact O-CB 3.39Å; P93-E97 PolarHBondContact O-N 2.89Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 3.22Å; E97-H100 WeakPolarHBondContact O-CB 3.24Å; E97-H100 PolarHBondContact O-N 2.75Å; E97-H100 VanDerWaalsContact O-N 3.13Å; E97-G101 PolarHBondContact O-N 3.4Å
98R91Very high89Confident108 Ų10868.4 Ų68.441%0.40837%0.369SS..Hα-helixtrans-62.1-38.5175.9-71.7174.6-179167.44.2112.4V23 Q94 T95 G101 Q102V23-R98 HydrophobicContact CG1-CB 3.46Å; V23-R98 VanDerWaalsContact CG1-CB 3.46Å; Q94-R98 VanDerWaalsContact O-CG 3.3Å; Q94-R98 WeakPolarHBondContact O-CG 3.36Å; Q94-R98 PolarHBondContact O-N 2.65Å; T95-R98 PolarHBondContact O-N 3.07Å; R98-G101 PolarHBondContact O-N 3.01Å; R98-Q102 PolarHBondContact O-N 3.42Å; R98-Q102 VanDerWaalsContact O-N 3.12Å
99F92.3Very high89.3Confident4 Ų467.1 Ų67.12%0.01836%0.36CS..Hα-helixtrans-63.6-42.4173.6175.5-132.7000111.4C82 T95 A96 E97 G101 Q102 K103 L115C82-F99 HydrophobicContact CB-CD2 3.65Å; C82-F99 HydrophobicContact CB-CE2 3.86Å; T95-F99 PolarHBondContact O-N 3.16Å; A96-F99 PolarHBondContact O-N 3.2Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 3.22Å; F99-G101 PolarHBondContact O-N 2.83Å; F99-Q102 PolarHBondContact O-N 3.44Å; F99-K103 HydrophobicContact CE1-CD 4.45Å; F99-K103 HydrophobicContact CE2-CG 4.32Å; F99-K103 HydrophobicContact CZ-CD 4.36Å; F99-K103 PolarHBondContact O-N 3.28Å; F99-K103 VanDerWaalsContact O-N 3.11Å; F99-L115 HydrophobicContact CB-CD1 4.22Å; F99-L115 HydrophobicContact CB-CD2 4.02Å; F99-L115 HydrophobicContact CD1-CB 3.85Å; F99-L115 HydrophobicContact CD1-CD2 3.87Å; F99-L115 HydrophobicContact CD1-CG 4.33Å; F99-L115 HydrophobicContact CD2-CB 4.11Å; F99-L115 HydrophobicContact CD2-CD1 4.03Å; F99-L115 HydrophobicContact CD2-CG 4.49Å; F99-L115 HydrophobicContact CE1-CB 3.63Å; F99-L115 HydrophobicContact CE1-CD2 4.45Å; F99-L115 HydrophobicContact CE2-CB 3.93Å; F99-L115 HydrophobicContact CG-CB 4.07Å; F99-L115 HydrophobicContact CG-CD1 4.07Å; F99-L115 HydrophobicContact CG-CD2 3.96Å; F99-L115 HydrophobicContact CG-CG 4.26Å; F99-L115 HydrophobicContact CZ-CB 3.66Å
100H91.4Very high89.7Confident108 Ų10867.2 Ų67.250%0.536%0.355SS..Hα-helixtrans-59.8-45.5174.7-167.271.7000111.8A96 E97 Q102 K103 E104A96-H100 PolarHBondContact O-N 2.85Å; E97-H100 WeakPolarHBondContact O-CB 3.24Å; E97-H100 PolarHBondContact O-N 2.75Å; E97-H100 VanDerWaalsContact O-N 3.13Å; H100-Q102 VanDerWaalsContact C-N 3.28Å; H100-Q102 PolarHBondContact O-N 3Å; H100-K103 WeakPolarHBondContact O-CB 3.46Å; H100-K103 PolarHBondContact O-N 2.77Å; H100-E104 IonicContact CD2-OE1 3.94Å; H100-E104 IonicContact NE2-OE1 3.83Å; H100-E104 PolarHBondContact O-N 2.97Å
101G91.2Very high90.2Very high31 Ų3159.9 Ų59.932%0.3232%0.323SS..Hα-helixtrans-57.6-37.5175.600000113.2E97 R98 F99 E104E97-G101 PolarHBondContact O-N 3.4Å; R98-G101 PolarHBondContact O-N 3.01Å; F99-G101 PolarHBondContact O-N 2.83Å; G101-E104 PolarHBondContact O-N 3.33Å
102Q90.1Very high90.7Very high62 Ų6257.7 Ų57.729%0.2931%0.311SS..Hα-helixtrans-69.4-33.8174-66.9-56.7-33.800113.1V23 L80 R98 F99 H100 E104V23-Q102 HydrophobicContact CG2-CG 3.97Å; L80-Q102 HydrophobicContact CD2-CB 4.04Å; R98-Q102 PolarHBondContact O-N 3.42Å; R98-Q102 VanDerWaalsContact O-N 3.12Å; F99-Q102 PolarHBondContact O-N 3.44Å; H100-Q102 VanDerWaalsContact C-N 3.28Å; H100-Q102 PolarHBondContact O-N 3Å; Q102-E104 VanDerWaalsContact C-N 3.34Å
103K91.3Very high91Very high35 Ų3557.6 Ų57.615%0.15231%0.312CS..Hα-helixtrans-64.3-39.8174-65-172.9-169.4-1590111.6L80 F99 H100 V105 Y106 S107 L110 S113 D131L80-K103 HydrophobicContact CD2-CG 4.11Å; F99-K103 HydrophobicContact CE1-CD 4.45Å; F99-K103 HydrophobicContact CE2-CG 4.32Å; F99-K103 HydrophobicContact CZ-CD 4.36Å; F99-K103 PolarHBondContact O-N 3.28Å; F99-K103 VanDerWaalsContact O-N 3.11Å; H100-K103 WeakPolarHBondContact O-CB 3.46Å; H100-K103 PolarHBondContact O-N 2.77Å; K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 3.43Å; K103-Y106 PolarHBondContact O-N 2.91Å; K103-S107 PolarHBondContact O-N 2.92Å; K103-L110 HydrophobicContact CB-CD2 4.28Å; K103-L110 HydrophobicContact CG-CD2 4.4Å; K103-S113 WeakPolarHBondContact CD-OG 3.47Å; K103-S113 WeakPolarHBondContact CE-OG 3.45Å; K103-S113 PolarHBondContact NZ-OG 2.81Å; K103-D131 IonicContact NZ-OD2 3.31Å; K103-D131 PolarHBondContact NZ-OD2 3.2Å
104E91.4Very high91.4Very high116 Ų11655.4 Ų55.454%0.54229%0.292SS..Hα-helixtrans-59.1-37.5-178.5-72.6-174.9160.900112.5H100 G101 Q102 Y106 S107H100-E104 IonicContact CD2-OE1 3.94Å; H100-E104 IonicContact NE2-OE1 3.83Å; H100-E104 PolarHBondContact O-N 2.97Å; G101-E104 PolarHBondContact O-N 3.33Å; Q102-E104 VanDerWaalsContact C-N 3.34Å; E104-Y106 PolarHBondContact O-N 2.99Å; E104-Y106 VanDerWaalsContact O-N 3.16Å; E104-S107 WeakPolarHBondContact O-CB 3.48Å; E104-S107 PolarHBondContact O-N 3.22Å; E104-S107 PolarHBondContact O-OG 3.05Å
105V89Confident91.7Very high71 Ų7150.6 Ų50.643%0.4327%0.27SS..Hα-helixtrans-54.1-36.2178.5179.70000112.4P63 K103P63-V105 HydrophobicContact CG-CG1 4.04Å; K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 3.43Å
106Y90.4Very high92Very high3 Ų350.6 Ų50.61%0.01227%0.27CS..THydrogen-bonded Turntrans-115.410.7-176.7-55.2-70.9000113.7V19 Y61 V77 K103 E104 S108 T109 L110V19-Y106 HydrophobicContact CG1-CE2 4.37Å; Y61-Y106 PolarHBondContact O-OH 3.33Å; V77-Y106 HydrophobicContact CB-CD1 3.83Å; V77-Y106 HydrophobicContact CB-CE1 4.35Å; V77-Y106 HydrophobicContact CB-CG 4.16Å; V77-Y106 HydrophobicContact CG1-CD1 4.01Å; V77-Y106 HydrophobicContact CG1-CD2 4.26Å; V77-Y106 HydrophobicContact CG1-CE1 4.47Å; V77-Y106 HydrophobicContact CG1-CG 3.89Å; V77-Y106 HydrophobicContact CG2-CD1 3.85Å; V77-Y106 HydrophobicContact CG2-CE1 3.88Å; K103-Y106 PolarHBondContact O-N 2.91Å; E104-Y106 PolarHBondContact O-N 2.99Å; E104-Y106 VanDerWaalsContact O-N 3.16Å; Y106-S108 PolarHBondContact O-N 3.26Å; Y106-T109 PolarHBondContact O-N 3.24Å; Y106-T109 PolarHBondContact O-OG1 3.45Å; Y106-L110 WeakPolarHBondContact O-CB 3.5Å; Y106-L110 PolarHBondContact O-N 3.34Å
107S88.6Confident92.2Very high85 Ų8549.5 Ų49.559%0.59426%0.261SS*.THydrogen-bonded Turntrans-52.9-29.8-171.954.80000115K103 E104 T109K103-S107 PolarHBondContact O-N 2.92Å; E104-S107 WeakPolarHBondContact O-CB 3.48Å; E104-S107 PolarHBondContact O-N 3.22Å; E104-S107 PolarHBondContact O-OG 3.05Å; S107-T109 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 2.95Å
108S87.4Confident92.3Very high104 Ų10442.8 Ų42.873%0.72723%0.229SC*.THydrogen-bonded Turntrans-71.3-20.4179.560.60000114.3Y106Y106-S108 PolarHBondContact O-N 3.26Å
109T92.5Very high92.2Very high14 Ų1438.4 Ų38.49%0.08622%0.218CC..THydrogen-bonded Turntrans-124-17.5-175.957.10000114.1N66 K76 V77 Y106 S107 Y111N66-T109 PolarHBondContact ND2-OG1 3.31Å; N66-T109 PolarHBondContact OD1-OG1 2.96Å; K76-T109 HydrophobicContact CB-CG2 4.49Å; K76-T109 HydrophobicContact CD-CG2 4.34Å; K76-T109 HydrophobicContact CG-CG2 4.21Å; V77-T109 CarbonylContact O-C 3.52Å; V77-T109 WeakPolarHBondContact O-CB 3.4Å; V77-T109 PolarHBondContact O-OG1 3.5Å; Y106-T109 PolarHBondContact O-N 3.24Å; Y106-T109 PolarHBondContact O-OG1 3.45Å; S107-T109 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 2.95Å; T109-Y111 WeakPolarHBondContact O-CD1 3.25Å; T109-Y111 VanDerWaalsContact O-CE1 3.23Å; T109-Y111 WeakPolarHBondContact O-CE1 3.34Å
110L93.7Very high91.9Very high32 Ų3240.1 Ų40.117%0.16823%0.227CC..  trans-64.5131.4-174.3-164.466.3000112.2L80 K103 Y106 D112L80-L110 HydrophobicContact CB-CD1 3.71Å; L80-L110 HydrophobicContact CB-CD2 4.49Å; K103-L110 HydrophobicContact CB-CD2 4.28Å; K103-L110 HydrophobicContact CG-CD2 4.4Å; Y106-L110 WeakPolarHBondContact O-CB 3.5Å; Y106-L110 PolarHBondContact O-N 3.34Å; L110-D112 VanDerWaalsContact CD1-O 3.31Å; L110-D112 WeakPolarHBondContact CD1-O 3.44Å
111Y95.4Very high91.3Very high32 Ų3242.3 Ų42.313%0.12524%0.237CC..SBendtrans-99.6-41.9176.4-65.73.1000110.6V78 T109 I155 V158 L159 K162V78-Y111 HydrophobicContact CB-CD1 4.21Å; V78-Y111 HydrophobicContact CB-CD2 3.88Å; V78-Y111 HydrophobicContact CB-CE1 4.38Å; V78-Y111 HydrophobicContact CB-CE2 4.11Å; V78-Y111 HydrophobicContact CB-CG 3.92Å; V78-Y111 HydrophobicContact CG1-CD1 4.16Å; V78-Y111 HydrophobicContact CG1-CD2 4.08Å; V78-Y111 HydrophobicContact CG1-CE1 3.83Å; V78-Y111 HydrophobicContact CG1-CE2 3.79Å; V78-Y111 HydrophobicContact CG1-CG 4.25Å; V78-Y111 WeakPolarHBondContact O-CA 3.41Å; V78-Y111 WeakPolarHBondContact O-CB 3.35Å; V78-Y111 PolarHBondContact O-N 3.25Å; T109-Y111 WeakPolarHBondContact O-CD1 3.25Å; T109-Y111 VanDerWaalsContact O-CE1 3.23Å; T109-Y111 WeakPolarHBondContact O-CE1 3.34Å; Y111-I155 HydrophobicContact CD2-CG2 4.22Å; Y111-V158 HydrophobicContact CD1-CG1 4.03Å; Y111-V158 HydrophobicContact CD2-CB 3.96Å; Y111-V158 HydrophobicContact CD2-CG1 3.8Å; Y111-V158 HydrophobicContact CE2-CG1 4.39Å; Y111-V158 HydrophobicContact CG-CB 4.07Å; Y111-V158 HydrophobicContact CG-CG1 3.61Å; Y111-L159 HydrophobicContact CD2-CB 4.43Å; Y111-L159 HydrophobicContact CE2-CB 4.02Å; Y111-L159 HydrophobicContact CE2-CD1 4.12Å; Y111-K162 HydrophobicContact CE1-CD 3.78Å; Y111-K162 HydrophobicContact CE2-CD 4.44Å
112D95.6Very high90.5Very high32 Ų3243.5 Ų43.517%0.17125%0.25CS..EExtended strand (participates in β ladder)trans-149163.1175-158.7-2.6000111.4V78 G79 L80 L110 R114 F151 S154 I155V78-D112 PolarHBondContact O-N 3.14Å; G79-D112 WeakPolarHBondContact CA-O 3.4Å; L80-D112 PolarHBondContact N-O 3.25Å; L110-D112 VanDerWaalsContact CD1-O 3.31Å; L110-D112 WeakPolarHBondContact CD1-O 3.44Å; D112-R114 IonicContact OD1-CZ 3.27Å; D112-R114 IonicContact OD1-NH1 2.61Å; D112-R114 PolarHBondContact OD1-NH1 3.4Å; D112-R114 IonicContact OD2-CZ 2.66Å; D112-R114 IonicContact OD2-NH1 3.29Å; D112-R114 PolarHBondContact OD2-NH1 3.3Å; D112-R114 IonicContact OD2-NH2 3.13Å; D112-R114 PolarHBondContact OD2-NH2 3.46Å; D112-F151 HydrophobicContact CB-CD2 4.09Å; D112-F151 HydrophobicContact CB-CE2 3.77Å; D112-S154 VanDerWaalsContact OD2-CB 3.29Å; D112-S154 WeakPolarHBondContact OD2-CB 3.38Å; D112-S154 PolarHBondContact OD2-OG 2.78Å; D112-I155 HydrophobicContact CB-CG1 4.16Å
113S95.8Very high89.7Confident9 Ų949.8 Ų49.86%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-143.6150.1175.749.10000112.8L80 K103 D131L80-S113 CarbonylContact O-C 3.5Å; L80-S113 WeakPolarHBondContact O-CA 3.18Å; K103-S113 WeakPolarHBondContact CD-OG 3.47Å; K103-S113 WeakPolarHBondContact CE-OG 3.45Å; K103-S113 PolarHBondContact NZ-OG 2.81Å; S113-D131 WeakPolarHBondContact O-CB 3.47Å
114R95.9Very high89.1Confident43 Ų4350 Ų5016%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-134.7143.2176.5-65.1-69.5179-92.8-4.7111.2L80 I81 C82 D112 D131 F151L80-R114 PolarHBondContact O-N 3.39Å; I81-R114 CarbonylContact C-O 3.54Å; I81-R114 WeakPolarHBondContact CA-O 3.42Å; C82-R114 PolarHBondContact N-O 3.49Å; D112-R114 IonicContact OD1-CZ 3.27Å; D112-R114 IonicContact OD1-NH1 2.61Å; D112-R114 PolarHBondContact OD1-NH1 3.4Å; D112-R114 IonicContact OD2-CZ 2.66Å; D112-R114 IonicContact OD2-NH1 3.29Å; D112-R114 PolarHBondContact OD2-NH1 3.3Å; D112-R114 IonicContact OD2-NH2 3.13Å; D112-R114 PolarHBondContact OD2-NH2 3.46Å; R114-D131 CarbonylContact C-O 3.47Å; R114-D131 WeakPolarHBondContact CA-O 3.49Å; R114-F151 HydrophobicContact CB-CD2 4.46Å; R114-F151 HydrophobicContact CG-CB 3.91Å; R114-F151 HydrophobicContact CG-CD2 3.37Å; R114-F151 HydrophobicContact CG-CE2 3.97Å; R114-F151 HydrophobicContact CG-CG 3.75Å
115L94.8Very high88Confident0 Ų050 Ų500%030%0.302CS..EExtended strand (participates in β ladder)trans-115.5120171.2-178.965.7000109.6C82 T84 W92 F99 V117 D131 V132 A133C82-L115 HydrophobicContact CB-CD1 3.53Å; C82-L115 CarbonylContact O-C 3.51Å; C82-L115 WeakPolarHBondContact O-CA 3.41Å; T84-L115 HydrophobicContact CG2-CD1 3.78Å; T84-L115 HydrophobicContact CG2-CG 4.26Å; W92-L115 HydrophobicContact CH2-CD2 3.93Å; W92-L115 HydrophobicContact CZ3-CD2 4.11Å; F99-L115 HydrophobicContact CB-CD1 4.22Å; F99-L115 HydrophobicContact CB-CD2 4.02Å; F99-L115 HydrophobicContact CD1-CB 3.85Å; F99-L115 HydrophobicContact CD1-CD2 3.87Å; F99-L115 HydrophobicContact CD1-CG 4.33Å; F99-L115 HydrophobicContact CD2-CB 4.11Å; F99-L115 HydrophobicContact CD2-CD1 4.03Å; F99-L115 HydrophobicContact CD2-CG 4.49Å; F99-L115 HydrophobicContact CE1-CB 3.63Å; F99-L115 HydrophobicContact CE1-CD2 4.45Å; F99-L115 HydrophobicContact CE2-CB 3.93Å; F99-L115 HydrophobicContact CG-CB 4.07Å; F99-L115 HydrophobicContact CG-CD1 4.07Å; F99-L115 HydrophobicContact CG-CD2 3.96Å; F99-L115 HydrophobicContact CG-CG 4.26Å; F99-L115 HydrophobicContact CZ-CB 3.66Å; L115-V117 HydrophobicContact CD2-CG2 3.84Å; L115-V117 HydrophobicContact CG-CG2 3.75Å; L115-D131 PolarHBondContact N-O 3.01Å; L115-V132 HydrophobicContact CB-CG2 4.38Å; L115-V132 HydrophobicContact CD2-CG1 4.49Å; L115-V132 HydrophobicContact CD2-CG2 4.5Å; L115-V132 WeakPolarHBondContact O-CA 3.44Å; L115-A133 PolarHBondContact O-N 3.41Å
116L94.9Very high86.9Confident7 Ų750.8 Ų50.84%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-99.8114.4172.8-49.6-173.1000108.8I34 I38 I81 C82 T84 F118 A133 Y135 V144I34-L116 HydrophobicContact CG2-CD1 4.28Å; I38-L116 HydrophobicContact CD1-CD1 4.12Å; I81-L116 HydrophobicContact CG2-CD1 4.16Å; I81-L116 HydrophobicContact CG2-CG 4.11Å; C82-L116 PolarHBondContact O-N 2.98Å; T84-L116 PolarHBondContact N-O 3.46Å; L116-F118 HydrophobicContact CB-CE2 3.76Å; L116-F118 HydrophobicContact CB-CZ 4.27Å; L116-A133 HydrophobicContact CD2-CB 3.67Å; L116-Y135 HydrophobicContact CB-CE2 4.18Å; L116-Y135 HydrophobicContact CD2-CE2 4.16Å; L116-V144 HydrophobicContact CD1-CG1 4.32Å
117V93Very high85.8Confident0 Ų059 Ų590%034%0.339CS..EExtended strand (participates in β ladder)trans-109.2125.2-174.1-172.70000109.1T84 C86 W92 L115 V132 A133 F134 Y135T84-V117 HydrophobicContact CG2-CB 4.13Å; T84-V117 HydrophobicContact CG2-CG1 4.07Å; T84-V117 HydrophobicContact CG2-CG2 3.86Å; C86-V117 HydrophobicContact CB-CG1 3.63Å; W92-V117 HydrophobicContact CH2-CG2 4.23Å; W92-V117 HydrophobicContact CZ3-CG1 4.38Å; W92-V117 HydrophobicContact CZ3-CG2 3.72Å; L115-V117 HydrophobicContact CD2-CG2 3.84Å; L115-V117 HydrophobicContact CG-CG2 3.75Å; V117-V132 HydrophobicContact CG2-CG1 3.98Å; V117-A133 PolarHBondContact N-O 3.09Å; V117-F134 HydrophobicContact CB-CD1 3.64Å; V117-F134 HydrophobicContact CB-CE1 3.97Å; V117-F134 HydrophobicContact CB-CG 4.47Å; V117-F134 HydrophobicContact CG1-CD1 3.75Å; V117-F134 HydrophobicContact CG1-CE1 3.9Å; V117-F134 HydrophobicContact CG2-CD1 4.08Å; V117-F134 HydrophobicContact CG2-CE1 3.95Å; V117-F134 CarbonylContact O-C 3.55Å; V117-F134 WeakPolarHBondContact O-CA 3.46Å; V117-Y135 PolarHBondContact O-N 3.45Å
118F93.3Very high84.8Confident2 Ų264.8 Ų64.81%0.00936%0.357CS..EExtended strand (participates in β ladder)trans-115.4138.2-178.7-63.7-89.9000111.4I34 I83 T84 T85 C86 L116 Y135 G137 F138 C141I34-F118 HydrophobicContact CD1-CE1 4.12Å; I34-F118 HydrophobicContact CD1-CZ 3.89Å; I34-F118 HydrophobicContact CG1-CE1 4.47Å; I34-F118 HydrophobicContact CG1-CE2 4.36Å; I34-F118 HydrophobicContact CG1-CZ 3.92Å; I34-F118 HydrophobicContact CG2-CZ 4.22Å; I83-F118 HydrophobicContact CG2-CD2 4.14Å; I83-F118 HydrophobicContact CG2-CE2 3.9Å; T84-F118 PolarHBondContact O-N 3.01Å; T85-F118 WeakPolarHBondContact CA-O 3.22Å; C86-F118 PolarHBondContact N-O 3.28Å; L116-F118 HydrophobicContact CB-CE2 3.76Å; L116-F118 HydrophobicContact CB-CZ 4.27Å; F118-Y135 WeakPolarHBondContact CA-O 3.15Å; F118-Y135 HydrophobicContact CD1-CD2 4.04Å; F118-Y135 HydrophobicContact CD1-CG 4.11Å; F118-Y135 AromaticContact CE1-CD2 3.55Å; F118-Y135 HydrophobicContact CE1-CD2 3.55Å; F118-Y135 HydrophobicContact CE1-CE2 4.35Å; F118-Y135 AromaticContact CE1-CG 3.78Å; F118-Y135 HydrophobicContact CE1-CG 3.78Å; F118-Y135 HydrophobicContact CE2-CD2 4.28Å; F118-Y135 AromaticContact CZ-CD2 3.69Å; F118-Y135 HydrophobicContact CZ-CD2 3.69Å; F118-Y135 HydrophobicContact CZ-CE2 4.15Å; F118-Y135 HydrophobicContact CZ-CG 4.37Å; F118-G137 WeakPolarHBondContact CD1-O 3.11Å; F118-F138 HydrophobicContact CB-CD1 4.42Å; F118-F138 HydrophobicContact CB-CD2 4.35Å; F118-F138 HydrophobicContact CB-CE1 4.1Å; F118-F138 HydrophobicContact CB-CE2 4.01Å; F118-F138 HydrophobicContact CB-CZ 3.88Å; F118-F138 AromaticContact CD1-CD1 3.85Å; F118-F138 HydrophobicContact CD1-CD1 3.85Å; F118-F138 HydrophobicContact CD1-CE1 4.16Å; F118-F138 HydrophobicContact CD1-CG 4.16Å; F118-F138 HydrophobicContact CD2-CD1 4.08Å; F118-F138 AromaticContact CD2-CE1 3.59Å; F118-F138 HydrophobicContact CD2-CE1 3.59Å; F118-F138 HydrophobicContact CD2-CZ 4.07Å; F118-F138 HydrophobicContact CE1-CD1 4.07Å; F118-F138 HydrophobicContact CE2-CD1 4.31Å; F118-F138 HydrophobicContact CE2-CE1 4.02Å; F118-F138 AromaticContact CG-CD1 3.85Å; F118-F138 HydrophobicContact CG-CD1 3.85Å; F118-F138 AromaticContact CG-CE1 3.67Å; F118-F138 HydrophobicContact CG-CE1 3.67Å; F118-F138 HydrophobicContact CG-CE2 4.43Å; F118-F138 HydrophobicContact CG-CG 4.31Å; F118-F138 AromaticContact CG-CZ 3.98Å; F118-F138 HydrophobicContact CG-CZ 3.98Å; F118-F138 HydrophobicContact CZ-CD1 4.31Å; F118-F138 HydrophobicContact CZ-CE1 4.47Å; F118-C141 HydrophobicContact CE1-CB 3.88Å
119G88.8Confident84.5Confident17 Ų1764.5 Ų64.518%0.17534%0.34CS..  trans929.6166.800000116.8C86 N87 Q121 Y135 P136C86-G119 CarbonylContact O-C 3.56Å; N87-G119 WeakPolarHBondContact CA-O 3.47Å; G119-Q121 PolarHBondContact O-N 3.38Å; G119-Y135 PolarHBondContact N-O 2.88Å; G119-P136 WeakPolarHBondContact CA-O 3.47Å
120L86.1Confident83.9Confident39 Ų3970 Ų7020%0.20437%0.374CS..  trans-65.4121.7-174.2-175.874.1000112.8C86 I124 F134C86-L120 HydrophobicContact CB-CD1 4.49Å; C86-L120 WeakPolarHBondContact O-CA 3.37Å; C86-L120 PolarHBondContact O-N 2.95Å; L120-I124 HydrophobicContact CD1-CD1 4Å; L120-I124 HydrophobicContact CD1-CG1 4.42Å; L120-I124 HydrophobicContact CD2-CD1 3.31Å; L120-I124 HydrophobicContact CD2-CG1 3.87Å; L120-I124 HydrophobicContact CG-CD1 4.3Å; L120-F134 HydrophobicContact CB-CD1 4.38Å; L120-F134 HydrophobicContact CD2-CD1 3.63Å; L120-F134 HydrophobicContact CD2-CE1 3.74Å; L120-F134 HydrophobicContact CD2-CG 4.43Å
121Q78.7Confident83.7Confident154 Ų15469.6 Ų69.672%0.7237%0.371SS*.BIsolated β-bridgetrans-107.7123.7170.8-57.2-177.9-8.100110.4N87 A89 G119N87-Q121 WeakPolarHBondContact O-CB 3.46Å; N87-Q121 PolarHBondContact O-N 3.39Å; A89-Q121 PolarHBondContact N-O 2.9Å; G119-Q121 PolarHBondContact O-N 3.38Å
122G74.4Confident83.5Confident57 Ų5769 Ų6959%0.58837%0.371SS*.SBendtrans102.5169.5-176.900000113.8
123E73.2Confident83.3Confident193 Ų19367.7 Ų67.790%0.90237%0.365SS*.  trans-94.8136178.9-67.6-173.6168.300111.3
124I78Confident83.1Confident41 Ų4171.3 Ų71.321%0.2138%0.38CS..  trans-96.6130170.9-62.1164.9000107.5A89 W92 L120 E126 F134A89-I124 HydrophobicContact CB-CG1 4.14Å; W92-I124 HydrophobicContact CB-CD1 3.95Å; W92-I124 HydrophobicContact CB-CG1 4.28Å; W92-I124 VanDerWaalsContact CD1-CG2 3.46Å; W92-I124 HydrophobicContact CD2-CD1 3.55Å; W92-I124 HydrophobicContact CE3-CD1 3.94Å; W92-I124 HydrophobicContact CG-CD1 3.54Å; W92-I124 HydrophobicContact CG-CG1 4.11Å; W92-I124 HydrophobicContact CG-CG2 4.09Å; L120-I124 HydrophobicContact CD1-CD1 4Å; L120-I124 HydrophobicContact CD1-CG1 4.42Å; L120-I124 HydrophobicContact CD2-CD1 3.31Å; L120-I124 HydrophobicContact CD2-CG1 3.87Å; L120-I124 HydrophobicContact CG-CD1 4.3Å; I124-E126 HydrophobicContact CG2-CB 3.82Å; I124-E126 PolarHBondContact O-N 3.07Å; I124-E126 VanDerWaalsContact O-N 3.09Å; I124-F134 HydrophobicContact CD1-CE1 3.64Å; I124-F134 HydrophobicContact CD1-CZ 3.71Å
125A68.1Low82.9Confident115 Ų11569.7 Ų69.795%0.9537%0.374SS*.  trans-76.114.5-178.200000114.9
126E66.7Low82.6Confident88 Ų8873.9 Ų73.941%0.41140%0.401SS..SBendtrans-88.7145.3-175.5-161.7174.717100111.1W92 I124 R129W92-E126 PolarHBondContact NE1-OE2 3.29Å; I124-E126 HydrophobicContact CG2-CB 3.82Å; I124-E126 PolarHBondContact O-N 3.07Å; I124-E126 VanDerWaalsContact O-N 3.09Å; E126-R129 WeakPolarHBondContact OE1-CD 3.46Å; E126-R129 IonicContact OE1-NH1 3.63Å; E126-R129 PolarHBondContact OE1-NH1 3.45Å
127Q66.1Low82.4Confident176 Ų17674.4 Ų74.482%0.82241%0.408SS*.  trans-57.9145.3173.8-89.5170.3-28.500110.9R129Q127-R129 PolarHBondContact O-N 3.37Å
128Q68.4Low82.2Confident205 Ų20575.9 Ų75.996%0.95841%0.414SS*.  trans-55.8112.6176.3-78.7-177.2-13.200110.5
129R80.6Confident82.1Confident98 Ų9882.2 Ų82.237%0.3744%0.444SS..  trans-96.1129.4177.4-79-179.964.4163.52.6109.9E126 Q127 D131 V132E126-R129 WeakPolarHBondContact OE1-CD 3.46Å; E126-R129 IonicContact OE1-NH1 3.63Å; E126-R129 PolarHBondContact OE1-NH1 3.45Å; Q127-R129 PolarHBondContact O-N 3.37Å; R129-D131 WeakPolarHBondContact CB-OD1 3.44Å; R129-D131 IonicContact CZ-OD1 2.57Å; R129-D131 IonicContact CZ-OD2 2.82Å; R129-D131 IonicContact NE-OD1 3.86Å; R129-D131 PolarHBondContact NE-OD1 3.41Å; R129-D131 IonicContact NE-OD2 2.79Å; R129-D131 IonicContact NH2-OD1 3.26Å; R129-D131 PolarHBondContact NH2-OD1 2.86Å; R129-D131 IonicContact NH2-OD2 3.7Å; R129-D131 PolarHBondContact NH2-OD2 3.42Å; R129-D131 PolarHBondContact O-N 2.94Å; R129-V132 HydrophobicContact CB-CB 4.26Å; R129-V132 HydrophobicContact CB-CG2 4.09Å; R129-V132 PolarHBondContact O-N 2.98Å
130T81.5Confident82Confident131 Ų13187.8 Ų87.880%0.80447%0.465SS*.THydrogen-bonded Turntrans-69.5-20.4178.151.70000112.8
131D88.1Confident82.2Confident22 Ų2286 Ų8612%0.11846%0.456CS..THydrogen-bonded Turntrans-87.60.5178.270.2-36.4000114.1K103 S113 R114 L115 R129K103-D131 IonicContact NZ-OD2 3.31Å; K103-D131 PolarHBondContact NZ-OD2 3.2Å; S113-D131 WeakPolarHBondContact O-CB 3.47Å; R114-D131 CarbonylContact C-O 3.47Å; R114-D131 WeakPolarHBondContact CA-O 3.49Å; L115-D131 PolarHBondContact N-O 3.01Å; R129-D131 WeakPolarHBondContact CB-OD1 3.44Å; R129-D131 IonicContact CZ-OD1 2.57Å; R129-D131 IonicContact CZ-OD2 2.82Å; R129-D131 IonicContact NE-OD1 3.86Å; R129-D131 PolarHBondContact NE-OD1 3.41Å; R129-D131 IonicContact NE-OD2 2.79Å; R129-D131 IonicContact NH2-OD1 3.26Å; R129-D131 PolarHBondContact NH2-OD1 2.86Å; R129-D131 IonicContact NH2-OD2 3.7Å; R129-D131 PolarHBondContact NH2-OD2 3.42Å; R129-D131 PolarHBondContact O-N 2.94Å
132V91.9Very high82.7Confident19 Ų1984 Ų8412%0.11546%0.459CS..EExtended strand (participates in β ladder)trans-126.8135.4-177.5-177.60000111.1W92 L115 V117 R129 F134W92-V132 HydrophobicContact CH2-CG1 3.57Å; W92-V132 HydrophobicContact CH2-CG2 4.27Å; W92-V132 HydrophobicContact CZ2-CG1 4.27Å; W92-V132 HydrophobicContact CZ3-CG1 4.41Å; L115-V132 HydrophobicContact CB-CG2 4.38Å; L115-V132 HydrophobicContact CD2-CG1 4.49Å; L115-V132 HydrophobicContact CD2-CG2 4.5Å; L115-V132 WeakPolarHBondContact O-CA 3.44Å; V117-V132 HydrophobicContact CG2-CG1 3.98Å; R129-V132 HydrophobicContact CB-CB 4.26Å; R129-V132 HydrophobicContact CB-CG2 4.09Å; R129-V132 PolarHBondContact O-N 2.98Å; V132-F134 HydrophobicContact CG1-CD2 4.2Å; V132-F134 HydrophobicContact CG1-CE1 4.21Å; V132-F134 HydrophobicContact CG1-CE2 3.56Å; V132-F134 HydrophobicContact CG1-CZ 3.57Å
133A91.1Very high83.5Confident6 Ų683.8 Ų83.85%0.0545%0.445CS..EExtended strand (participates in β ladder)trans-129.7116.1-176.400000110.4L115 L116 V117 Y135 R147L115-A133 PolarHBondContact O-N 3.41Å; L116-A133 HydrophobicContact CD2-CB 3.67Å; V117-A133 PolarHBondContact N-O 3.09Å; A133-Y135 HydrophobicContact CB-CE2 4.07Å; A133-R147 VanDerWaalsContact CA-NH1 3.27Å
134F90.6Very high84.5Confident85 Ų8574.6 Ų74.637%0.37340%0.402SS..EExtended strand (participates in β ladder)trans-96.4137.4177-60.8-83.4000112W92 V117 L120 I124 V132W92-F134 HydrophobicContact CE3-CE1 4.03Å; W92-F134 HydrophobicContact CE3-CZ 4.31Å; W92-F134 AromaticContact CH2-CE1 3.99Å; W92-F134 HydrophobicContact CH2-CE1 3.99Å; W92-F134 AromaticContact CH2-CZ 3.68Å; W92-F134 HydrophobicContact CH2-CZ 3.68Å; W92-F134 AromaticContact CZ2-CZ 3.94Å; W92-F134 HydrophobicContact CZ2-CZ 3.94Å; W92-F134 AromaticContact CZ3-CE1 3.69Å; W92-F134 HydrophobicContact CZ3-CE1 3.69Å; W92-F134 AromaticContact CZ3-CZ 3.87Å; W92-F134 HydrophobicContact CZ3-CZ 3.87Å; V117-F134 HydrophobicContact CB-CD1 3.64Å; V117-F134 HydrophobicContact CB-CE1 3.97Å; V117-F134 HydrophobicContact CB-CG 4.47Å; V117-F134 HydrophobicContact CG1-CD1 3.75Å; V117-F134 HydrophobicContact CG1-CE1 3.9Å; V117-F134 HydrophobicContact CG2-CD1 4.08Å; V117-F134 HydrophobicContact CG2-CE1 3.95Å; V117-F134 CarbonylContact O-C 3.55Å; V117-F134 WeakPolarHBondContact O-CA 3.46Å; L120-F134 HydrophobicContact CB-CD1 4.38Å; L120-F134 HydrophobicContact CD2-CD1 3.63Å; L120-F134 HydrophobicContact CD2-CE1 3.74Å; L120-F134 HydrophobicContact CD2-CG 4.43Å; I124-F134 HydrophobicContact CD1-CE1 3.64Å; I124-F134 HydrophobicContact CD1-CZ 3.71Å; V132-F134 HydrophobicContact CG1-CD2 4.2Å; V132-F134 HydrophobicContact CG1-CE1 4.21Å; V132-F134 HydrophobicContact CG1-CE2 3.56Å; V132-F134 HydrophobicContact CG1-CZ 3.57Å
135Y92.1Very high85.3Confident8 Ų875 Ų753%0.03140%0.403CS..EExtended strand (participates in β ladder)trans-129.4138.9175.8-62.2-74.4000110.7L116 V117 F118 G119 A133 G137 C141 D143 V144 R147L116-Y135 HydrophobicContact CB-CE2 4.18Å; L116-Y135 HydrophobicContact CD2-CE2 4.16Å; V117-Y135 PolarHBondContact O-N 3.45Å; F118-Y135 WeakPolarHBondContact CA-O 3.15Å; F118-Y135 HydrophobicContact CD1-CD2 4.04Å; F118-Y135 HydrophobicContact CD1-CG 4.11Å; F118-Y135 AromaticContact CE1-CD2 3.55Å; F118-Y135 HydrophobicContact CE1-CD2 3.55Å; F118-Y135 HydrophobicContact CE1-CE2 4.35Å; F118-Y135 AromaticContact CE1-CG 3.78Å; F118-Y135 HydrophobicContact CE1-CG 3.78Å; F118-Y135 HydrophobicContact CE2-CD2 4.28Å; F118-Y135 AromaticContact CZ-CD2 3.69Å; F118-Y135 HydrophobicContact CZ-CD2 3.69Å; F118-Y135 HydrophobicContact CZ-CE2 4.15Å; F118-Y135 HydrophobicContact CZ-CG 4.37Å; G119-Y135 PolarHBondContact N-O 2.88Å; A133-Y135 HydrophobicContact CB-CE2 4.07Å; Y135-G137 PolarHBondContact O-N 3.2Å; Y135-C141 HydrophobicContact CD1-CB 3.29Å; Y135-C141 HydrophobicContact CD2-CB 4.31Å; Y135-C141 HydrophobicContact CE1-CB 3.63Å; Y135-C141 HydrophobicContact CG-CB 3.66Å; Y135-D143 WeakPolarHBondContact CE1-OD1 3.32Å; Y135-V144 HydrophobicContact CE1-CG2 3.96Å; Y135-V144 HydrophobicContact CE2-CG2 4Å; Y135-V144 WeakPolarHBondContact OH-CG2 3.41Å; Y135-R147 WeakPolarHBondContact OH-CD 3.34Å
136P88.5Confident86.5Confident89 Ų8977.7 Ų77.758%0.57839%0.388SS*.SBendtrans-58.3-33.6175.2-24.734.2000113.4G119 E140G119-P136 WeakPolarHBondContact CA-O 3.47Å; P136-E140 HydrophobicContact CB-CB 4.22Å; P136-E140 HydrophobicContact CG-CB 4.4Å
137G90.3Very high87.7Confident17 Ų1777.5 Ų77.518%0.17538%0.384CS..SBendtrans-172.8175.2177.600000112.9F118 Y135 E139 E140F118-G137 WeakPolarHBondContact CD1-O 3.11Å; Y135-G137 PolarHBondContact O-N 3.2Å; G137-E139 PolarHBondContact O-N 2.86Å; G137-E140 PolarHBondContact O-N 2.89Å
138F90.8Very high89.1Confident31 Ų3169.3 Ų69.314%0.13635%0.346CS..SBendtrans-67.6-18.8-176.7-69.3-79.8000114.4V26 Q30 I34 I83 T85 F118 C141V26-F138 HydrophobicContact CG1-CE1 4.4Å; V26-F138 HydrophobicContact CG1-CZ 4.05Å; Q30-F138 HydrophobicContact CB-CD1 3.95Å; Q30-F138 HydrophobicContact CB-CD2 4.06Å; Q30-F138 HydrophobicContact CB-CE1 3.97Å; Q30-F138 HydrophobicContact CB-CE2 4.09Å; Q30-F138 HydrophobicContact CB-CG 3.99Å; Q30-F138 HydrophobicContact CB-CZ 4.04Å; Q30-F138 HydrophobicContact CG-CD2 4.09Å; Q30-F138 HydrophobicContact CG-CE2 4.37Å; Q30-F138 HydrophobicContact CG-CG 4.28Å; Q30-F138 VanDerWaalsContact OE1-CB 3.23Å; I34-F138 HydrophobicContact CD1-CD1 4.13Å; I34-F138 HydrophobicContact CG1-CD1 3.62Å; I34-F138 HydrophobicContact CG1-CE1 4.11Å; I83-F138 HydrophobicContact CG2-CE1 4.3Å; T85-F138 HydrophobicContact CG2-CE2 3.58Å; T85-F138 HydrophobicContact CG2-CZ 3.49Å; T85-F138 VanDerWaalsContact CG2-CZ 3.49Å; F118-F138 HydrophobicContact CB-CD1 4.42Å; F118-F138 HydrophobicContact CB-CD2 4.35Å; F118-F138 HydrophobicContact CB-CE1 4.1Å; F118-F138 HydrophobicContact CB-CE2 4.01Å; F118-F138 HydrophobicContact CB-CZ 3.88Å; F118-F138 AromaticContact CD1-CD1 3.85Å; F118-F138 HydrophobicContact CD1-CD1 3.85Å; F118-F138 HydrophobicContact CD1-CE1 4.16Å; F118-F138 HydrophobicContact CD1-CG 4.16Å; F118-F138 HydrophobicContact CD2-CD1 4.08Å; F118-F138 AromaticContact CD2-CE1 3.59Å; F118-F138 HydrophobicContact CD2-CE1 3.59Å; F118-F138 HydrophobicContact CD2-CZ 4.07Å; F118-F138 HydrophobicContact CE1-CD1 4.07Å; F118-F138 HydrophobicContact CE2-CD1 4.31Å; F118-F138 HydrophobicContact CE2-CE1 4.02Å; F118-F138 AromaticContact CG-CD1 3.85Å; F118-F138 HydrophobicContact CG-CD1 3.85Å; F118-F138 AromaticContact CG-CE1 3.67Å; F118-F138 HydrophobicContact CG-CE1 3.67Å; F118-F138 HydrophobicContact CG-CE2 4.43Å; F118-F138 HydrophobicContact CG-CG 4.31Å; F118-F138 AromaticContact CG-CZ 3.98Å; F118-F138 HydrophobicContact CG-CZ 3.98Å; F118-F138 HydrophobicContact CZ-CD1 4.31Å; F118-F138 HydrophobicContact CZ-CE1 4.47Å; F138-C141 PolarHBondContact O-SG 3.29Å
139E89.5Confident90.3Very high136 Ų13663.5 Ų63.564%0.63632%0.319SS*.SBendtrans-88.3-29.7172.8-56.9-56.5151.500112.3K33 G137 C141K33-E139 IonicContact NZ-OE1 2.75Å; K33-E139 PolarHBondContact NZ-OE1 3.02Å; K33-E139 IonicContact NZ-OE2 3.83Å; K33-E139 PolarHBondContact NZ-OE2 3.34Å; G137-E139 PolarHBondContact O-N 2.86Å; E139-C141 PolarHBondContact O-N 2.87Å
140E87.6Confident90.9Very high133 Ų13362.1 Ų62.162%0.62132%0.318SS*.SBendtrans-9861.2-173.2-67.1177.7-11900111.2P136 G137P136-E140 HydrophobicContact CB-CB 4.22Å; P136-E140 HydrophobicContact CG-CB 4.4Å; G137-E140 PolarHBondContact O-N 2.89Å
141C89.4Confident91.6Very high2 Ų255.9 Ų55.91%0.01428%0.28CS..  trans-144.455.1-175.857.50000112.4R37 F118 Y135 F138 E139 D143 V144R37-C141 PolarHBondContact NH1-O 3.41Å; R37-C141 PolarHBondContact NH1-SG 3.04Å; R37-C141 PolarHBondContact NH2-O 2.85Å; F118-C141 HydrophobicContact CE1-CB 3.88Å; Y135-C141 HydrophobicContact CD1-CB 3.29Å; Y135-C141 HydrophobicContact CD2-CB 4.31Å; Y135-C141 HydrophobicContact CE1-CB 3.63Å; Y135-C141 HydrophobicContact CG-CB 3.66Å; F138-C141 PolarHBondContact O-SG 3.29Å; E139-C141 PolarHBondContact O-N 2.87Å; C141-D143 VanDerWaalsContact C-N 3.3Å; C141-D143 PolarHBondContact O-N 2.79Å; C141-V144 HydrophobicContact CB-CG2 3.64Å; C141-V144 VanDerWaalsContact O-CG2 3.27Å; C141-V144 WeakPolarHBondContact O-CG2 3.23Å; C141-V144 PolarHBondContact O-N 3.03Å
142S89.3Confident91.9Very high111 Ų11154.8 Ų54.878%0.77628%0.275SS*.THydrogen-bonded Turntrans-68.1-20.8-171.654.60000115.4
143D92.7Very high91.9Very high54 Ų5456 Ų5629%0.28928%0.279SS..THydrogen-bonded Turntrans-98.99.4-177.664.7-39.3000114Y135 C141 E145 R146 R147Y135-D143 WeakPolarHBondContact CE1-OD1 3.32Å; C141-D143 VanDerWaalsContact C-N 3.3Å; C141-D143 PolarHBondContact O-N 2.79Å; D143-E145 PolarHBondContact O-N 3.5Å; D143-R146 PolarHBondContact O-N 3.39Å; D143-R147 PolarHBondContact O-N 3.24Å; D143-R147 IonicContact OD1-NH2 3.75Å; D143-R147 IonicContact OD2-CZ 3.03Å; D143-R147 IonicContact OD2-NE 2.57Å; D143-R147 PolarHBondContact OD2-NE 3.23Å; D143-R147 IonicContact OD2-NH2 3.31Å; D143-R147 PolarHBondContact OD2-NH2 2.77Å
144V94.1Very high92Very high0 Ų057 Ų570%029%0.286CS..Hα-helixtrans-54.2-48.5178.61690000111.9I38 L116 Y135 C141 R146 R147 V148I38-V144 HydrophobicContact CG1-CG1 4.33Å; L116-V144 HydrophobicContact CD1-CG1 4.32Å; Y135-V144 HydrophobicContact CE1-CG2 3.96Å; Y135-V144 HydrophobicContact CE2-CG2 4Å; Y135-V144 WeakPolarHBondContact OH-CG2 3.41Å; C141-V144 HydrophobicContact CB-CG2 3.64Å; C141-V144 VanDerWaalsContact O-CG2 3.27Å; C141-V144 WeakPolarHBondContact O-CG2 3.23Å; C141-V144 PolarHBondContact O-N 3.03Å; V144-R146 VanDerWaalsContact C-N 3.34Å; V144-R146 PolarHBondContact O-N 2.78Å; V144-R147 PolarHBondContact O-N 3.32Å; V144-V148 HydrophobicContact CG1-CG2 4.44Å; V144-V148 VanDerWaalsContact O-CG2 3.28Å; V144-V148 WeakPolarHBondContact O-CG2 3.37Å; V144-V148 PolarHBondContact O-N 2.67Å
145E94.7Very high92.3Very high49 Ų4953 Ų5323%0.22927%0.268CS..Hα-helixtrans-61.3-43.3-179.6-6781.4177.100111.1R37 V41 D143 R147 V148 E149R37-E145 IonicContact CZ-OE1 3.04Å; R37-E145 IonicContact CZ-OE2 3.98Å; R37-E145 IonicContact NE-OE1 3.74Å; R37-E145 PolarHBondContact NE-OE1 3.25Å; R37-E145 IonicContact NE-OE2 2.98Å; R37-E145 IonicContact NH2-OE1 3.86Å; R37-E145 PolarHBondContact NH2-OE1 3.39Å; R37-E145 IonicContact NH2-OE2 3.82Å; R37-E145 PolarHBondContact NH2-OE2 3.03Å; V41-E145 HydrophobicContact CG2-CB 3.88Å; V41-E145 HydrophobicContact CG2-CG 4.13Å; D143-E145 PolarHBondContact O-N 3.5Å; E145-R147 PolarHBondContact O-N 3.13Å; E145-V148 CarbonylContact O-C 3.54Å; E145-V148 WeakPolarHBondContact O-CB 3.41Å; E145-V148 PolarHBondContact O-N 3.26Å; E145-V148 VanDerWaalsContact O-N 3.15Å; E145-E149 WeakPolarHBondContact O-CG 3.34Å; E145-E149 PolarHBondContact O-N 2.88Å
146R93.1Very high92.3Very high172 Ų17253.2 Ų53.265%0.64927%0.269SS*.Hα-helixtrans-62.8-42.1176.8-176.3178178.5154.11.1112.1D143 V144 V148 E149 D150D143-R146 PolarHBondContact O-N 3.39Å; V144-R146 VanDerWaalsContact C-N 3.34Å; V144-R146 PolarHBondContact O-N 2.78Å; R146-V148 VanDerWaalsContact C-N 3.27Å; R146-V148 PolarHBondContact O-N 2.95Å; R146-E149 WeakPolarHBondContact O-CB 3.29Å; R146-E149 PolarHBondContact O-N 2.94Å; R146-D150 PolarHBondContact O-N 2.97Å
147R92.5Very high92.5Very high83 Ų8354.6 Ų54.631%0.31327%0.27SS..Hα-helixtrans-66.7-30.8175.5-67.6-165.3-165.1175.36.4112.4A133 Y135 D143 V144 E145 F151A133-R147 VanDerWaalsContact CA-NH1 3.27Å; Y135-R147 WeakPolarHBondContact OH-CD 3.34Å; D143-R147 PolarHBondContact O-N 3.24Å; D143-R147 IonicContact OD1-NH2 3.75Å; D143-R147 IonicContact OD2-CZ 3.03Å; D143-R147 IonicContact OD2-NE 2.57Å; D143-R147 PolarHBondContact OD2-NE 3.23Å; D143-R147 IonicContact OD2-NH2 3.31Å; D143-R147 PolarHBondContact OD2-NH2 2.77Å; V144-R147 PolarHBondContact O-N 3.32Å; E145-R147 PolarHBondContact O-N 3.13Å; R147-F151 WeakPolarHBondContact O-CB 3.33Å; R147-F151 PolarHBondContact O-N 2.95Å; R147-F151 VanDerWaalsContact O-N 3.07Å
148V95.1Very high92.8Very high5 Ų555.9 Ų55.93%0.0328%0.275CS..Hα-helixtrans-69.8-40.6172.1174.90000110.4I38 V41 Y57 I81 V144 E145 R146 F151 V152I38-V148 HydrophobicContact CB-CG2 4.4Å; I38-V148 HydrophobicContact CG1-CG2 4.01Å; I38-V148 HydrophobicContact CG2-CG1 4.35Å; I38-V148 HydrophobicContact CG2-CG2 4.23Å; V41-V148 HydrophobicContact CB-CB 4.47Å; V41-V148 HydrophobicContact CB-CG1 3.81Å; V41-V148 HydrophobicContact CG1-CG1 4.05Å; V41-V148 HydrophobicContact CG2-CB 4.26Å; V41-V148 HydrophobicContact CG2-CG1 4.12Å; Y57-V148 VanDerWaalsContact OH-CG1 3.28Å; Y57-V148 WeakPolarHBondContact OH-CG1 3.26Å; I81-V148 HydrophobicContact CD1-CG2 4.33Å; V144-V148 HydrophobicContact CG1-CG2 4.44Å; V144-V148 VanDerWaalsContact O-CG2 3.28Å; V144-V148 WeakPolarHBondContact O-CG2 3.37Å; V144-V148 PolarHBondContact O-N 2.67Å; E145-V148 CarbonylContact O-C 3.54Å; E145-V148 WeakPolarHBondContact O-CB 3.41Å; E145-V148 PolarHBondContact O-N 3.26Å; E145-V148 VanDerWaalsContact O-N 3.15Å; R146-V148 VanDerWaalsContact C-N 3.27Å; R146-V148 PolarHBondContact O-N 2.95Å; V148-F151 WeakPolarHBondContact O-CB 3.41Å; V148-F151 PolarHBondContact O-N 2.89Å; V148-V152 HydrophobicContact CG1-CG2 4.4Å; V148-V152 VanDerWaalsContact O-CG2 3.28Å; V148-V152 WeakPolarHBondContact O-CG2 3.41Å; V148-V152 PolarHBondContact O-N 2.82Å
149E93.9Very high92.9Very high83 Ų8354.5 Ų54.539%0.38827%0.269SS..Hα-helixtrans-58.5-48.6172.5-69.8172170.300111.6V41 V44 E145 R146 F151 V152 E153V41-E149 HydrophobicContact CG1-CG 3.73Å; V44-E149 HydrophobicContact CG2-CG 4.27Å; E145-E149 WeakPolarHBondContact O-CG 3.34Å; E145-E149 PolarHBondContact O-N 2.88Å; R146-E149 WeakPolarHBondContact O-CB 3.29Å; R146-E149 PolarHBondContact O-N 2.94Å; E149-F151 VanDerWaalsContact C-N 3.28Å; E149-F151 PolarHBondContact O-N 2.98Å; E149-V152 PolarHBondContact O-N 3.32Å; E149-V152 VanDerWaalsContact O-N 3.08Å; E149-E153 PolarHBondContact O-N 2.9Å
150D92.9Very high93Very high68 Ų6849.4 Ų49.436%0.36425%0.245SC..Hα-helixtrans-60.6-36.7177.2-66.6-27.8000112R47 R146 S154R47-D150 IonicContact NH2-OD1 2.9Å; R146-D150 PolarHBondContact O-N 2.97Å; D150-S154 PolarHBondContact O-N 2.85Å; D150-S154 VanDerWaalsContact O-N 3.16Å
151F94.9Very high93.3Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-69.1-35.5173.9166.1-107.9000113.3V18 I81 D112 R114 R147 V148 E149 S154 I155V18-F151 HydrophobicContact CG1-CE1 3.9Å; V18-F151 HydrophobicContact CG1-CZ 4.33Å; V18-F151 HydrophobicContact CG2-CE1 4.21Å; I81-F151 HydrophobicContact CD1-CD1 3.9Å; I81-F151 HydrophobicContact CD1-CE1 3.72Å; I81-F151 HydrophobicContact CG1-CD1 4.15Å; I81-F151 HydrophobicContact CG1-CE1 3.67Å; I81-F151 HydrophobicContact CG1-CZ 3.99Å; D112-F151 HydrophobicContact CB-CD2 4.09Å; D112-F151 HydrophobicContact CB-CE2 3.77Å; R114-F151 HydrophobicContact CB-CD2 4.46Å; R114-F151 HydrophobicContact CG-CB 3.91Å; R114-F151 HydrophobicContact CG-CD2 3.37Å; R114-F151 HydrophobicContact CG-CE2 3.97Å; R114-F151 HydrophobicContact CG-CG 3.75Å; R147-F151 WeakPolarHBondContact O-CB 3.33Å; R147-F151 PolarHBondContact O-N 2.95Å; R147-F151 VanDerWaalsContact O-N 3.07Å; V148-F151 WeakPolarHBondContact O-CB 3.41Å; V148-F151 PolarHBondContact O-N 2.89Å; E149-F151 VanDerWaalsContact C-N 3.28Å; E149-F151 PolarHBondContact O-N 2.98Å; F151-S154 PolarHBondContact O-N 2.79Å; F151-S154 PolarHBondContact O-OG 3.3Å; F151-I155 HydrophobicContact CD1-CD1 4.17Å; F151-I155 HydrophobicContact CD2-CD1 4.5Å; F151-I155 HydrophobicContact CE1-CD1 3.57Å; F151-I155 HydrophobicContact CE2-CD1 3.98Å; F151-I155 HydrophobicContact CE2-CG1 4.34Å; F151-I155 HydrophobicContact CZ-CD1 3.51Å; F151-I155 HydrophobicContact CZ-CG1 4.35Å; F151-I155 WeakPolarHBondContact O-CG1 3.45Å; F151-I155 PolarHBondContact O-N 3.5Å
152V94.6Very high93.4Very high0 Ų049.2 Ų49.20%025%0.249CC..Hα-helixtrans-70.9-37.5175.6169.10000110.5V44 L53 I55 V148 E149 S154 I155 F156V44-V152 HydrophobicContact CB-CB 4.48Å; V44-V152 HydrophobicContact CB-CG1 3.75Å; V44-V152 HydrophobicContact CG1-CG1 4.34Å; V44-V152 HydrophobicContact CG2-CB 3.93Å; V44-V152 HydrophobicContact CG2-CG1 3.6Å; V44-V152 HydrophobicContact CG2-CG2 4.35Å; L53-V152 HydrophobicContact CD2-CG1 3.57Å; L53-V152 HydrophobicContact CG-CG1 4.27Å; I55-V152 HydrophobicContact CD1-CG1 3.62Å; I55-V152 HydrophobicContact CD1-CG2 4.09Å; I55-V152 HydrophobicContact CG1-CG1 3.84Å; I55-V152 HydrophobicContact CG1-CG2 3.88Å; V148-V152 HydrophobicContact CG1-CG2 4.4Å; V148-V152 VanDerWaalsContact O-CG2 3.28Å; V148-V152 WeakPolarHBondContact O-CG2 3.41Å; V148-V152 PolarHBondContact O-N 2.82Å; E149-V152 PolarHBondContact O-N 3.32Å; E149-V152 VanDerWaalsContact O-N 3.08Å; V152-S154 PolarHBondContact O-N 3.26Å; V152-I155 PolarHBondContact O-N 3.17Å; V152-F156 PolarHBondContact O-N 2.81Å
153E92.5Very high93.5Very high44 Ų4445 Ų4521%0.20622%0.216CC..Hα-helixtrans-61.1-40.8173.4-73.2-178.4179.900112.1V44 R47 E149 F156 I157V44-E153 HydrophobicContact CG1-CG 4.38Å; R47-E153 IonicContact CZ-OE1 3.45Å; R47-E153 VanDerWaalsContact CZ-OE1 3.26Å; R47-E153 IonicContact CZ-OE2 3.69Å; R47-E153 IonicContact NE-OE1 2.9Å; R47-E153 PolarHBondContact NE-OE1 2.88Å; R47-E153 IonicContact NE-OE2 3.57Å; R47-E153 VanDerWaalsContact NH2-CD 3.31Å; R47-E153 IonicContact NH2-OE1 2.81Å; R47-E153 PolarHBondContact NH2-OE1 2.81Å; R47-E153 IonicContact NH2-OE2 3.36Å; R47-E153 PolarHBondContact NH2-OE2 2.85Å; E149-E153 PolarHBondContact O-N 2.9Å; E153-F156 WeakPolarHBondContact O-CB 3.26Å; E153-F156 PolarHBondContact O-N 2.8Å; E153-I157 WeakPolarHBondContact O-CG1 3.32Å; E153-I157 PolarHBondContact O-N 2.88Å; E153-I157 VanDerWaalsContact O-N 3.08Å
154S93.8Very high93.3Very high27 Ų2746.1 Ų46.119%0.18922%0.222CC..Hα-helixtrans-66.5-38.8175.8640000112.7D112 D150 F151 V152 F156 I157 V158D112-S154 VanDerWaalsContact OD2-CB 3.29Å; D112-S154 WeakPolarHBondContact OD2-CB 3.38Å; D112-S154 PolarHBondContact OD2-OG 2.78Å; D150-S154 PolarHBondContact O-N 2.85Å; D150-S154 VanDerWaalsContact O-N 3.16Å; F151-S154 PolarHBondContact O-N 2.79Å; F151-S154 PolarHBondContact O-OG 3.3Å; V152-S154 PolarHBondContact O-N 3.26Å; S154-F156 VanDerWaalsContact C-N 3.28Å; S154-F156 PolarHBondContact O-N 3.01Å; S154-I157 PolarHBondContact O-N 3.08Å; S154-V158 PolarHBondContact O-N 3.49Å
155I95.2Very high93Very high1 Ų150.8 Ų50.81%0.00525%0.247CC..Hα-helixtrans-58.5-43.7171.1-71.2172.7000110.3V16 V18 V78 Y111 D112 F151 V152 I157 V158 L159V16-I155 HydrophobicContact CG2-CG2 4.47Å; V18-I155 HydrophobicContact CG2-CD1 4.06Å; V78-I155 HydrophobicContact CG2-CG2 4.02Å; Y111-I155 HydrophobicContact CD2-CG2 4.22Å; D112-I155 HydrophobicContact CB-CG1 4.16Å; F151-I155 HydrophobicContact CD1-CD1 4.17Å; F151-I155 HydrophobicContact CD2-CD1 4.5Å; F151-I155 HydrophobicContact CE1-CD1 3.57Å; F151-I155 HydrophobicContact CE2-CD1 3.98Å; F151-I155 HydrophobicContact CE2-CG1 4.34Å; F151-I155 HydrophobicContact CZ-CD1 3.51Å; F151-I155 HydrophobicContact CZ-CG1 4.35Å; F151-I155 WeakPolarHBondContact O-CG1 3.45Å; F151-I155 PolarHBondContact O-N 3.5Å; V152-I155 PolarHBondContact O-N 3.17Å; I155-I157 PolarHBondContact O-N 3.28Å; I155-V158 PolarHBondContact O-N 3.49Å; I155-L159 WeakPolarHBondContact O-CB 3.45Å; I155-L159 PolarHBondContact O-N 3.29Å
156F94.2Very high92.5Very high13 Ų1351.2 Ų51.26%0.05725%0.247CC..Hα-helixtrans-60.3-43.8179.7-179.4-95.3000112.4I46 L53 V152 E153 S154 V158 L159 E160 A216I46-F156 HydrophobicContact CB-CD1 4.42Å; I46-F156 HydrophobicContact CB-CE1 4.41Å; I46-F156 HydrophobicContact CD1-CB 3.71Å; I46-F156 HydrophobicContact CD1-CD1 4.04Å; I46-F156 HydrophobicContact CD1-CD2 3.89Å; I46-F156 HydrophobicContact CD1-CG 3.56Å; I46-F156 HydrophobicContact CG1-CB 4.45Å; I46-F156 HydrophobicContact CG1-CD1 4.03Å; I46-F156 HydrophobicContact CG1-CD2 3.73Å; I46-F156 HydrophobicContact CG1-CE1 4.29Å; I46-F156 HydrophobicContact CG1-CE2 3.97Å; I46-F156 HydrophobicContact CG1-CG 3.76Å; I46-F156 HydrophobicContact CG1-CZ 4.25Å; I46-F156 HydrophobicContact CG2-CD1 3.55Å; I46-F156 HydrophobicContact CG2-CE1 3.51Å; I46-F156 HydrophobicContact CG2-CG 4.18Å; I46-F156 HydrophobicContact CG2-CZ 4.08Å; L53-F156 HydrophobicContact CB-CD2 4.49Å; L53-F156 HydrophobicContact CD1-CD2 4.48Å; L53-F156 HydrophobicContact CD2-CB 3.85Å; L53-F156 HydrophobicContact CD2-CD2 4.16Å; L53-F156 HydrophobicContact CD2-CG 4.49Å; V152-F156 PolarHBondContact O-N 2.81Å; E153-F156 WeakPolarHBondContact O-CB 3.26Å; E153-F156 PolarHBondContact O-N 2.8Å; S154-F156 VanDerWaalsContact C-N 3.28Å; S154-F156 PolarHBondContact O-N 3.01Å; F156-V158 VanDerWaalsContact C-N 3.32Å; F156-V158 PolarHBondContact O-N 3.15Å; F156-L159 WeakPolarHBondContact O-CB 3.49Å; F156-L159 PolarHBondContact O-N 3.32Å; F156-E160 HydrophobicContact CE1-CB 4.17Å; F156-E160 HydrophobicContact CZ-CB 4.26Å; F156-E160 WeakPolarHBondContact O-CB 3.34Å; F156-E160 PolarHBondContact O-N 3.48Å; F156-A216 HydrophobicContact CE2-CB 4.39Å
157I92.7Very high92Very high117 Ų11744.4 Ų44.460%0.623%0.227SC*.Hα-helixtrans-58.8-45.8179.4-67.1165.6000110.8E153 S154 I155 E160 S161E153-I157 WeakPolarHBondContact O-CG1 3.32Å; E153-I157 PolarHBondContact O-N 2.88Å; E153-I157 VanDerWaalsContact O-N 3.08Å; S154-I157 PolarHBondContact O-N 3.08Å; I155-I157 PolarHBondContact O-N 3.28Å; I157-E160 PolarHBondContact O-N 3.31Å; I157-S161 PolarHBondContact O-N 3.35Å
158V95Very high91.1Very high45 Ų4544.7 Ų44.727%0.27324%0.238SC..Hα-helixtrans-68.2-40.1178.2-179.10000111.3Y111 S154 I155 F156 S161 K162Y111-V158 HydrophobicContact CD1-CG1 4.03Å; Y111-V158 HydrophobicContact CD2-CB 3.96Å; Y111-V158 HydrophobicContact CD2-CG1 3.8Å; Y111-V158 HydrophobicContact CE2-CG1 4.39Å; Y111-V158 HydrophobicContact CG-CB 4.07Å; Y111-V158 HydrophobicContact CG-CG1 3.61Å; S154-V158 PolarHBondContact O-N 3.49Å; I155-V158 PolarHBondContact O-N 3.49Å; F156-V158 VanDerWaalsContact C-N 3.32Å; F156-V158 PolarHBondContact O-N 3.15Å; V158-S161 PolarHBondContact O-N 3.31Å; V158-K162 HydrophobicContact CG1-CD 4.27Å; V158-K162 HydrophobicContact CG1-CG 4.49Å; V158-K162 WeakPolarHBondContact O-CB 3.43Å; V158-K162 WeakPolarHBondContact O-CG 3.4Å; V158-K162 PolarHBondContact O-N 3.05Å
159L94.4Very high89.8Confident1 Ų147.9 Ų47.91%0.00526%0.255CS..Hα-helixtrans-58.3-48.3175.4177.167.6000111.1V16 L53 Y111 I155 F156 K162 R163 L212 Q215 A216V16-L159 HydrophobicContact CG1-CD2 4.1Å; L53-L159 HydrophobicContact CD1-CD2 4.14Å; Y111-L159 HydrophobicContact CD2-CB 4.43Å; Y111-L159 HydrophobicContact CE2-CB 4.02Å; Y111-L159 HydrophobicContact CE2-CD1 4.12Å; I155-L159 WeakPolarHBondContact O-CB 3.45Å; I155-L159 PolarHBondContact O-N 3.29Å; F156-L159 WeakPolarHBondContact O-CB 3.49Å; F156-L159 PolarHBondContact O-N 3.32Å; L159-K162 PolarHBondContact O-N 2.83Å; L159-R163 WeakPolarHBondContact O-CB 3.2Å; L159-R163 PolarHBondContact O-N 3.07Å; L159-L212 HydrophobicContact CD1-CD2 3.74Å; L159-Q215 HydrophobicContact CD2-CB 4.15Å; L159-A216 HydrophobicContact CD2-CB 4.25Å
160E91.5Very high88Confident30 Ų3051.3 Ų51.314%0.1427%0.269CS..Hα-helixtrans-66.3-41.7-179-173.867.716900111.7R51 F156 I157 R163 L164R51-E160 IonicContact CZ-OE1 3.39Å; R51-E160 VanDerWaalsContact NH1-CD 3.34Å; R51-E160 IonicContact NH1-OE1 2.66Å; R51-E160 PolarHBondContact NH1-OE1 3.43Å; R51-E160 IonicContact NH1-OE2 3.94Å; R51-E160 PolarHBondContact NH1-OE2 3.36Å; R51-E160 IonicContact NH2-OE1 3.7Å; F156-E160 HydrophobicContact CE1-CB 4.17Å; F156-E160 HydrophobicContact CZ-CB 4.26Å; F156-E160 WeakPolarHBondContact O-CB 3.34Å; F156-E160 PolarHBondContact O-N 3.48Å; I157-E160 PolarHBondContact O-N 3.31Å; E160-R163 PolarHBondContact O-N 3.28Å; E160-R163 IonicContact OE1-CZ 2.7Å; E160-R163 IonicContact OE1-NE 2.74Å; E160-R163 IonicContact OE1-NH2 3.93Å; E160-R163 PolarHBondContact OE1-NH2 2.92Å; E160-R163 IonicContact OE2-CZ 2.65Å; E160-R163 IonicContact OE2-NE 3.48Å; E160-R163 PolarHBondContact OE2-NE 2.89Å; E160-R163 IonicContact OE2-NH2 3.07Å; E160-R163 PolarHBondContact OE2-NH2 3.49Å; E160-L164 HydrophobicContact CG-CD1 4.28Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.97Å
161S92.4Very high85.7Confident59 Ų5951.3 Ų51.341%0.41327%0.274SS..Hα-helixtrans-56.9-52.3172.8-172.70000111I157 V158 R163 L164 D165I157-S161 PolarHBondContact O-N 3.35Å; V158-S161 PolarHBondContact O-N 3.31Å; S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 3.34Å; S161-L164 PolarHBondContact O-N 2.97Å; S161-D165 PolarHBondContact O-N 3.38Å
162K91.4Very high83.7Confident71 Ų7155.9 Ų55.931%0.30932%0.321SS..Hα-helixtrans-63.2-34.3-179.4-74.2-174.1177-173.40112.8Y111 V158 L159 R166Y111-K162 HydrophobicContact CE1-CD 3.78Å; Y111-K162 HydrophobicContact CE2-CD 4.44Å; V158-K162 HydrophobicContact CG1-CD 4.27Å; V158-K162 HydrophobicContact CG1-CG 4.49Å; V158-K162 WeakPolarHBondContact O-CB 3.43Å; V158-K162 WeakPolarHBondContact O-CG 3.4Å; V158-K162 PolarHBondContact O-N 3.05Å; L159-K162 PolarHBondContact O-N 2.83Å; K162-R166 WeakPolarHBondContact O-CB 3.3Å; K162-R166 VanDerWaalsContact O-CG 3.32Å; K162-R166 WeakPolarHBondContact O-CG 3.41Å; K162-R166 PolarHBondContact O-N 3.18Å
163R92.2Very high81.8Confident22 Ų2262.2 Ų62.28%0.08335%0.354CS..Hα-helixtrans-65-48.1174.9-173.3-167.269.275.60110.7L159 E160 S161 R166 A167 L212 M218L159-R163 WeakPolarHBondContact O-CB 3.2Å; L159-R163 PolarHBondContact O-N 3.07Å; E160-R163 PolarHBondContact O-N 3.28Å; E160-R163 IonicContact OE1-CZ 2.7Å; E160-R163 IonicContact OE1-NE 2.74Å; E160-R163 IonicContact OE1-NH2 3.93Å; E160-R163 PolarHBondContact OE1-NH2 2.92Å; E160-R163 IonicContact OE2-CZ 2.65Å; E160-R163 IonicContact OE2-NE 3.48Å; E160-R163 PolarHBondContact OE2-NE 2.89Å; E160-R163 IonicContact OE2-NH2 3.07Å; E160-R163 PolarHBondContact OE2-NH2 3.49Å; S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 3.34Å; R163-R166 PolarHBondContact O-N 3.25Å; R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 3.23Å; R163-L212 HydrophobicContact CB-CB 4.1Å; R163-L212 HydrophobicContact CB-CD1 4.47Å; R163-L212 HydrophobicContact CG-CB 3.94Å; R163-M218 VanDerWaalsContact CZ-SD 3.54Å
164L88.9Confident80.7Confident78 Ų7866.2 Ų66.241%0.40837%0.371SS..Hα-helixtrans-63.1-45.8178.9-73.2170.8000111.8E160 S161 R166 A167 T168E160-L164 HydrophobicContact CG-CD1 4.28Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.97Å; S161-L164 PolarHBondContact O-N 2.97Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-R166 PolarHBondContact O-N 3.1Å; L164-A167 PolarHBondContact O-N 2.88Å; L164-T168 WeakPolarHBondContact O-CB 3.48Å; L164-T168 WeakPolarHBondContact O-CG2 3.33Å; L164-T168 PolarHBondContact O-N 3.4Å; L164-T168 PolarHBondContact O-OG1 2.59Å
165D86.8Confident80.1Confident98 Ų9867.5 Ų67.552%0.52438%0.376SS..Hα-helixtrans-55-50177.3-65.7-24.6000110.8S161 D169S161-D165 PolarHBondContact O-N 3.38Å; D165-D169 PolarHBondContact O-N 2.77Å
166R85.4Confident79.5Confident59 Ų5973.7 Ų73.722%0.22340%0.404CS..Hα-helixtrans-73.6-28.2-179.1-67.1178.8-177.2-127.1-0.3114.1K162 R163 L164 M205 H208 V209K162-R166 WeakPolarHBondContact O-CB 3.3Å; K162-R166 VanDerWaalsContact O-CG 3.32Å; K162-R166 WeakPolarHBondContact O-CG 3.41Å; K162-R166 PolarHBondContact O-N 3.18Å; R163-R166 PolarHBondContact O-N 3.25Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-R166 PolarHBondContact O-N 3.1Å; R166-M205 HydrophobicContact CB-SD 4.12Å; R166-M205 HydrophobicContact CG-SD 4.22Å; R166-H208 PolarHBondContact NH1-CD2 2.85Å; R166-H208 PolarHBondContact NH1-NE2 2.85Å; R166-V209 HydrophobicContact CB-CG2 3.78Å
167A81.1Confident79.2Confident29 Ų2974.3 Ų74.324%0.2441%0.408CS..Hα-helixtrans-78.1-32.6179.300000112.7R163 L164 V209R163-A167 WeakPolarHBondContact O-CB 3.28Å; R163-A167 PolarHBondContact O-N 3.23Å; L164-A167 PolarHBondContact O-N 2.88Å; A167-V209 HydrophobicContact CB-CG1 3.96Å
168T74.6Confident79.1Confident89 Ų8968.9 Ų68.955%0.54638%0.38SS..Hα-helixtrans-95.6-1.9-177.262.60000114.4L164 K170L164-T168 WeakPolarHBondContact O-CB 3.48Å; L164-T168 WeakPolarHBondContact O-CG2 3.33Å; L164-T168 PolarHBondContact O-N 3.4Å; L164-T168 PolarHBondContact O-OG1 2.59Å; T168-K170 VanDerWaalsContact C-N 3.26Å; T168-K170 WeakPolarHBondContact O-CG 3.45Å; T168-K170 PolarHBondContact O-N 3.31Å
169D67.1Low78.9Confident71 Ų7167.9 Ų67.938%0.3838%0.375SS..  trans-59.487.8177.5-162.83.8000110.9D165 S171D165-D169 PolarHBondContact O-N 2.77Å; D169-S171 PolarHBondContact OD1-OG 3.19Å
170K56.1Low78.7Confident156 Ų15667.9 Ų67.968%0.67838%0.375SS*.  trans-108.86.2176.1-69.8-175.7-179.5-173.10110.8T168T168-K170 VanDerWaalsContact C-N 3.26Å; T168-K170 WeakPolarHBondContact O-CG 3.45Å; T168-K170 PolarHBondContact O-N 3.31Å
171S45.4Very low78.5Confident68 Ų6868 Ų6848%0.47638%0.378SS..  trans-60.3142.1-178.3-23.50000109.7D169 D173D169-S171 PolarHBondContact OD1-OG 3.19Å; S171-D173 PolarHBondContact O-N 2.87Å
172G51.8Low78.3Confident95 Ų9567.5 Ų67.598%0.97937%0.369SS*.SBendtrans-64.417.9169.400000114.8
173D55.5Low78.1Confident133 Ų13364.7 Ų64.771%0.71136%0.357SS*.SBendtrans-89.9154.7178-93.2-29.1000112S171 I175S171-D173 PolarHBondContact O-N 2.87Å; D173-I175 PolarHBondContact O-N 3.19Å
174K69.6Low77.3Confident129 Ų12970.3 Ų70.356%0.56138%0.382SS*.  trans-65.5103.7179.4-68.3-174174.7-168.70109.7Q176 T192 D193K174-Q176 PolarHBondContact O-N 2.8Å; K174-T192 PolarHBondContact NZ-OG1 2.8Å; K174-D193 WeakPolarHBondContact CE-OD1 3.44Å; K174-D193 IonicContact NZ-OD1 3.35Å; K174-D193 PolarHBondContact NZ-OD1 2.86Å; K174-D193 IonicContact NZ-OD2 3.11Å; K174-D193 PolarHBondContact NZ-OD2 3.45Å; K174-D193 VanDerWaalsContact NZ-OD2 3.11Å
175I79.8Confident76.6Confident54 Ų5475.2 Ų75.228%0.27740%0.4SS..  trans-43.7124.2171.7-60.5173.1000109.5D173 L177 C201 Q202 M205D173-I175 PolarHBondContact O-N 3.19Å; I175-L177 PolarHBondContact O-N 3.01Å; I175-C201 HydrophobicContact CB-CB 4.09Å; I175-C201 HydrophobicContact CG2-CB 3.94Å; I175-Q202 HydrophobicContact CD1-CB 4.27Å; I175-Q202 HydrophobicContact CD1-CG 4.47Å; I175-M205 HydrophobicContact CG2-CB 4.1Å; I175-M205 HydrophobicContact CG2-CE 4.3Å; I175-M205 HydrophobicContact CG2-CG 4.44Å
176Q83.6Confident76Confident131 Ų13175.6 Ų75.661%0.61240%0.402SS*.  trans-60.9128.4-178.5-172.6-178.315.300111.1K174 L178K174-Q176 PolarHBondContact O-N 2.8Å; Q176-L178 PolarHBondContact O-N 3.39Å
177L87.4Confident75.5Confident26 Ų2674.9 Ų74.914%0.13640%0.4CS..  trans-73.8115.1171.4-178.568.3000109.8I175 F187 Y197 R200I175-L177 PolarHBondContact O-N 3.01Å; L177-F187 HydrophobicContact CD2-CB 4.34Å; L177-F187 HydrophobicContact CD2-CD1 4.07Å; L177-F187 HydrophobicContact CD2-CD2 4.07Å; L177-F187 HydrophobicContact CD2-CE1 4.48Å; L177-F187 HydrophobicContact CD2-CE2 4.43Å; L177-F187 HydrophobicContact CD2-CG 3.9Å; L177-Y197 HydrophobicContact CD2-CE2 3.9Å; L177-R200 HydrophobicContact CD1-CG 4.28Å
178L91.1Very high75Confident3 Ų379.3 Ų79.32%0.01642%0.424CS..  trans-78.7135168.5-56.1176.6000109.2Q176 R204 H208 W241Q176-L178 PolarHBondContact O-N 3.39Å; L178-R204 HydrophobicContact CB-CB 4.5Å; L178-R204 WeakPolarHBondContact O-CD 2.96Å; L178-R204 PolarHBondContact O-NH1 2.86Å; L178-H208 HydrophobicContact CD1-CB 3.56Å; L178-W241 HydrophobicContact CB-CH2 3.51Å; L178-W241 HydrophobicContact CB-CZ2 4.03Å; L178-W241 HydrophobicContact CB-CZ3 4.23Å; L178-W241 HydrophobicContact CD1-CH2 4.38Å; L178-W241 HydrophobicContact CD1-CZ3 4.43Å; L178-W241 WeakPolarHBondContact O-CZ2 3.39Å
179C90.3Very high74.7Confident24 Ų2479 Ų7916%0.16244%0.439CS..  trans-131.7146.9-177-66.60000111.1E183 K184C179-E183 HydrophobicContact CB-CB 4.27Å; C179-K184 HydrophobicContact CB-CG 4.29Å
180V90.9Very high75.1Confident0 Ų079 Ų790%044%0.438CS..  trans-78.3162.6164.9-49.20000110.5W68 F71 F182 E183 L240 W241W68-V180 HydrophobicContact CE3-CB 4.37Å; W68-V180 HydrophobicContact CE3-CG1 4.39Å; W68-V180 HydrophobicContact CZ3-CB 4.3Å; W68-V180 HydrophobicContact CZ3-CG1 4.34Å; F71-V180 HydrophobicContact CB-CG1 3.77Å; F71-V180 HydrophobicContact CD1-CG1 4.38Å; F71-V180 HydrophobicContact CD2-CG1 3.41Å; F71-V180 VanDerWaalsContact CD2-CG1 3.41Å; F71-V180 HydrophobicContact CE2-CG1 4.02Å; F71-V180 HydrophobicContact CG-CG1 3.6Å; V180-F182 VanDerWaalsContact C-N 3.32Å; V180-F182 HydrophobicContact CB-CE1 4.37Å; V180-F182 HydrophobicContact CG2-CD1 3.7Å; V180-F182 HydrophobicContact CG2-CD2 4.11Å; V180-F182 HydrophobicContact CG2-CE1 3.4Å; V180-F182 VanDerWaalsContact CG2-CE1 3.4Å; V180-F182 HydrophobicContact CG2-CE2 3.84Å; V180-F182 HydrophobicContact CG2-CG 4.06Å; V180-F182 HydrophobicContact CG2-CZ 3.49Å; V180-F182 VanDerWaalsContact CG2-CZ 3.49Å; V180-F182 PolarHBondContact O-N 3.36Å; V180-E183 HydrophobicContact CG2-CB 3.81Å; V180-E183 HydrophobicContact CG2-CG 3.59Å; V180-E183 PolarHBondContact N-OE2 2.91Å; V180-E183 VanDerWaalsContact N-OE2 3.16Å; V180-E183 WeakPolarHBondContact O-CB 3.43Å; V180-E183 PolarHBondContact O-N 3.34Å; V180-E183 VanDerWaalsContact O-N 3.1Å; V180-L240 HydrophobicContact CG1-CD2 3.91Å; V180-L240 HydrophobicContact CG2-CD2 3.8Å; V180-W241 HydrophobicContact CG1-CZ2 4.15Å
181P87.2Confident76.2Confident32 Ų3276.3 Ų76.321%0.20843%0.431CS..THydrogen-bonded Turntrans-55.9-38.6-171.8-30.938.5000115.4E67 W68E67-P181 HydrophobicContact CB-CG 3.69Å; W68-P181 HydrophobicContact CD2-CG 4.48Å; W68-P181 HydrophobicContact CG-CG 4.33Å
182F87.3Confident78Confident50 Ų5075.2 Ų75.222%0.21942%0.422CS..THydrogen-bonded Turntrans-80.7-20.5-178.964.2-99.5000114W68 V180 K184 L240 Y336 N338W68-F182 HydrophobicContact CH2-CD1 4.1Å; W68-F182 AromaticContact CH2-CE1 3.56Å; W68-F182 HydrophobicContact CH2-CE1 3.56Å; W68-F182 HydrophobicContact CZ2-CD1 4.16Å; W68-F182 HydrophobicContact CZ2-CE1 4.09Å; W68-F182 HydrophobicContact CZ3-CE1 4.28Å; V180-F182 VanDerWaalsContact C-N 3.32Å; V180-F182 HydrophobicContact CB-CE1 4.37Å; V180-F182 HydrophobicContact CG2-CD1 3.7Å; V180-F182 HydrophobicContact CG2-CD2 4.11Å; V180-F182 HydrophobicContact CG2-CE1 3.4Å; V180-F182 VanDerWaalsContact CG2-CE1 3.4Å; V180-F182 HydrophobicContact CG2-CE2 3.84Å; V180-F182 HydrophobicContact CG2-CG 4.06Å; V180-F182 HydrophobicContact CG2-CZ 3.49Å; V180-F182 VanDerWaalsContact CG2-CZ 3.49Å; V180-F182 PolarHBondContact O-N 3.36Å; F182-K184 VanDerWaalsContact C-N 3.33Å; F182-K184 PolarHBondContact O-N 3.42Å; F182-L240 HydrophobicContact CE1-CD2 4.44Å; F182-L240 HydrophobicContact CE2-CD2 4.3Å; F182-L240 HydrophobicContact CZ-CD2 3.63Å; F182-Y336 HydrophobicContact CE2-CD1 4.4Å; F182-Y336 HydrophobicContact CZ-CD1 4.49Å; F182-N338 HydrophobicContact CD1-CB 3.68Å; F182-N338 HydrophobicContact CE1-CB 3.89Å; F182-N338 HydrophobicContact CG-CB 4.12Å
183E87.7Confident79.3Confident11 Ų1174.7 Ų74.75%0.05140%0.397CS..G310 helixtrans-74.4-21-179-92.2-175.9149.100112.8C179 V180 K185 D186 F187 R204 W241C179-E183 HydrophobicContact CB-CB 4.27Å; V180-E183 HydrophobicContact CG2-CB 3.81Å; V180-E183 HydrophobicContact CG2-CG 3.59Å; V180-E183 PolarHBondContact N-OE2 2.91Å; V180-E183 VanDerWaalsContact N-OE2 3.16Å; V180-E183 WeakPolarHBondContact O-CB 3.43Å; V180-E183 PolarHBondContact O-N 3.34Å; V180-E183 VanDerWaalsContact O-N 3.1Å; E183-K185 PolarHBondContact O-N 3.28Å; E183-D186 PolarHBondContact O-N 3.23Å; E183-F187 HydrophobicContact CB-CD2 4.18Å; E183-F187 HydrophobicContact CB-CE2 3.77Å; E183-F187 HydrophobicContact CG-CE2 3.9Å; E183-F187 WeakPolarHBondContact O-CD2 3.34Å; E183-R204 IonicContact OE1-CZ 3Å; E183-R204 IonicContact OE1-NH1 3.26Å; E183-R204 IonicContact OE1-NH2 3.17Å; E183-R204 PolarHBondContact OE1-NH2 3.39Å; E183-R204 IonicContact OE2-CZ 3.53Å; E183-R204 IonicContact OE2-NH1 3.51Å; E183-R204 PolarHBondContact OE2-NH1 3Å; E183-R204 IonicContact OE2-NH2 3.79Å; E183-W241 PolarHBondContact OE2-NE1 2.75Å
184K76.8Confident80.8Confident140 Ų14070.1 Ų70.161%0.60938%0.375SS*.G310 helixtrans-55.3-29-173.6-68.7-179.1178.1175.50113.5C179 F182C179-K184 HydrophobicContact CB-CG 4.29Å; F182-K184 VanDerWaalsContact C-N 3.33Å; F182-K184 PolarHBondContact O-N 3.42Å
185K73.1Confident81.6Confident181 Ų18174.7 Ų74.779%0.78739%0.389SS*.G310 helixtrans-83.6-27.6178.9-63.3-178.5-178.6178.70113E183 F187E183-K185 PolarHBondContact O-N 3.28Å; K185-F187 VanDerWaalsContact C-N 3.26Å; K185-F187 PolarHBondContact O-N 3.45Å
186D74.6Confident81.9Confident107 Ų10776.1 Ų76.157%0.57239%0.394SS*.THydrogen-bonded Turntrans-76.5-15-174.3-59.4-26.9000112.6E183 L190E183-D186 PolarHBondContact O-N 3.23Å; D186-L190 WeakPolarHBondContact O-CD1 3.3Å
187F73.8Confident82.1Confident43 Ų4371.5 Ų71.519%0.18937%0.372CS..THydrogen-bonded Turntrans-102.45.9-177.2-66-69.1000114.8L177 E183 K185 G189 L190L177-F187 HydrophobicContact CD2-CB 4.34Å; L177-F187 HydrophobicContact CD2-CD1 4.07Å; L177-F187 HydrophobicContact CD2-CD2 4.07Å; L177-F187 HydrophobicContact CD2-CE1 4.48Å; L177-F187 HydrophobicContact CD2-CE2 4.43Å; L177-F187 HydrophobicContact CD2-CG 3.9Å; E183-F187 HydrophobicContact CB-CD2 4.18Å; E183-F187 HydrophobicContact CB-CE2 3.77Å; E183-F187 HydrophobicContact CG-CE2 3.9Å; E183-F187 WeakPolarHBondContact O-CD2 3.34Å; K185-F187 VanDerWaalsContact C-N 3.26Å; K185-F187 PolarHBondContact O-N 3.45Å; F187-G189 PolarHBondContact O-N 2.89Å; F187-L190 HydrophobicContact CD1-CD1 3.89Å; F187-L190 HydrophobicContact CD1-CD2 4.44Å
188V70.7Confident82.2Confident122 Ų12275.3 Ų75.374%0.73939%0.387SS*.THydrogen-bonded Turntrans-72.3120.1176.4-178.10000109.6
189G68.3Low82.1Confident83 Ų8378.7 Ų78.786%0.85640%0.401SS*.THydrogen-bonded Turntrans87.510.2178.200000115.9F187F187-G189 PolarHBondContact O-N 2.89Å
190L76.8Confident82.2Confident70 Ų7079.2 Ų79.237%0.36640%0.4SS..  trans-75145.9176.4-108.2108.1000113.2D186 F187 T192 Y197D186-L190 WeakPolarHBondContact O-CD1 3.3Å; F187-L190 HydrophobicContact CD1-CD1 3.89Å; F187-L190 HydrophobicContact CD1-CD2 4.44Å; L190-T192 PolarHBondContact O-N 2.61Å; L190-Y197 HydrophobicContact CD2-CD2 4.41Å
191D79.4Confident82.2Confident100 Ų10079.3 Ų79.354%0.53540%0.401SS..  trans-69.698.9172.1177.513.8000111.2D193 S194D191-D193 PolarHBondContact O-N 2.96Å; D191-D193 PolarHBondContact OD1-N 3.36Å; D191-S194 PolarHBondContact O-N 2.81Å; D191-S194 PolarHBondContact O-OG 3.37Å
192T82.2Confident82.4Confident46 Ų4681.3 Ų81.328%0.28241%0.407SS..THydrogen-bonded Turntrans-68.1-13.6179.164.80000114K174 L190 Y197K174-T192 PolarHBondContact NZ-OG1 2.8Å; L190-T192 PolarHBondContact O-N 2.61Å; T192-Y197 HydrophobicContact CG2-CE1 4.1Å; T192-Y197 HydrophobicContact CG2-CE2 4.41Å; T192-Y197 WeakPolarHBondContact O-CD1 3.48Å
193D80.3Confident82.7Confident84 Ų8479 Ų7945%0.44940%0.397SS..THydrogen-bonded Turntrans-96-11.2-177.3-73.2-55.3000113.5K174 D191 K198K174-D193 WeakPolarHBondContact CE-OD1 3.44Å; K174-D193 IonicContact NZ-OD1 3.35Å; K174-D193 PolarHBondContact NZ-OD1 2.86Å; K174-D193 IonicContact NZ-OD2 3.11Å; K174-D193 PolarHBondContact NZ-OD2 3.45Å; K174-D193 VanDerWaalsContact NZ-OD2 3.11Å; D191-D193 PolarHBondContact O-N 2.96Å; D191-D193 PolarHBondContact OD1-N 3.36Å; D193-K198 WeakPolarHBondContact O-CE 3.5Å; D193-K198 PolarHBondContact O-NZ 2.79Å; D193-K198 IonicContact OD1-NZ 3.77Å
194S86.3Confident83Confident36 Ų3678.5 Ų78.525%0.25240%0.395SS..SBendtrans-58.7142.3176.271.70000113.2D191 H196 Y197 K198D191-S194 PolarHBondContact O-N 2.81Å; D191-S194 PolarHBondContact O-OG 3.37Å; S194-H196 PolarHBondContact O-N 3.21Å; S194-Y197 PolarHBondContact O-N 2.68Å; S194-Y197 VanDerWaalsContact O-N 3.16Å; S194-Y197 WeakPolarHBondContact OG-CB 3.39Å; S194-Y197 PolarHBondContact OG-N 3.41Å; S194-K198 PolarHBondContact O-N 2.86Å
195R85.3Confident83.8Confident226 Ų22672.7 Ų72.785%0.85337%0.37SS*.Hα-helixtrans-56.7-36176-173.7179.2-178.5-172.81.3112K199R195-K199 VanDerWaalsContact O-CB 3.32Å; R195-K199 WeakPolarHBondContact O-CB 3.37Å; R195-K199 PolarHBondContact O-N 2.83Å
196H87.7Confident84.8Confident83 Ų8367 Ų6738%0.38434%0.344SS..Hα-helixtrans-67.4-43.3179-165.3-84000112S194 R200 V236S194-H196 PolarHBondContact O-N 3.21Å; H196-R200 PolarHBondContact CE1-NH2 3.12Å; H196-R200 VanDerWaalsContact CE1-NH2 3.35Å; H196-R200 WeakPolarHBondContact O-CB 3.48Å; H196-R200 PolarHBondContact O-N 2.85Å; H196-V236 PolarHBondContact CE1-O 3.07Å; H196-V236 VanDerWaalsContact NE2-CA 3.34Å; H196-V236 WeakPolarHBondContact NE2-CA 3.32Å; H196-V236 WeakPolarHBondContact NE2-CB 3.43Å; H196-V236 PolarHBondContact NE2-O 2.7Å
197Y88.3Confident85.8Confident35 Ų3562 Ų6214%0.13732%0.317CS..Hα-helixtrans-64.3-45.6175.7-177.1-89.6000112L177 L190 T192 S194 K199 R200 C201L177-Y197 HydrophobicContact CD2-CE2 3.9Å; L190-Y197 HydrophobicContact CD2-CD2 4.41Å; T192-Y197 HydrophobicContact CG2-CE1 4.1Å; T192-Y197 HydrophobicContact CG2-CE2 4.41Å; T192-Y197 WeakPolarHBondContact O-CD1 3.48Å; S194-Y197 PolarHBondContact O-N 2.68Å; S194-Y197 VanDerWaalsContact O-N 3.16Å; S194-Y197 WeakPolarHBondContact OG-CB 3.39Å; S194-Y197 PolarHBondContact OG-N 3.41Å; Y197-K199 PolarHBondContact O-N 3Å; Y197-R200 WeakPolarHBondContact O-CB 3.44Å; Y197-R200 PolarHBondContact O-N 2.9Å; Y197-C201 WeakPolarHBondContact CE1-SG 3.43Å; Y197-C201 PolarHBondContact O-N 3.03Å; Y197-C201 PolarHBondContact O-SG 2.79Å
198K88.1Confident86.8Confident106 Ų10660 Ų6046%0.46131%0.308SS..Hα-helixtrans-60.7-44.7177.3-71.9172.8175.8156.60112D193 S194 R200 C201 Q202D193-K198 WeakPolarHBondContact O-CE 3.5Å; D193-K198 PolarHBondContact O-NZ 2.79Å; D193-K198 IonicContact OD1-NZ 3.77Å; S194-K198 PolarHBondContact O-N 2.86Å; K198-R200 VanDerWaalsContact C-N 3.34Å; K198-R200 PolarHBondContact O-N 2.92Å; K198-C201 PolarHBondContact O-N 2.73Å; K198-Q202 WeakPolarHBondContact O-CB 3.31Å; K198-Q202 PolarHBondContact O-N 2.84Å
199K89.8Confident88Confident73 Ų7354.2 Ų54.232%0.31727%0.273SS..Hα-helixtrans-65.2-35.6176.7-173.2171.4178.6-178.30112.3R195 Y197 G203 L232 V236R195-K199 VanDerWaalsContact O-CB 3.32Å; R195-K199 WeakPolarHBondContact O-CB 3.37Å; R195-K199 PolarHBondContact O-N 2.83Å; Y197-K199 PolarHBondContact O-N 3Å; K199-G203 PolarHBondContact O-N 2.85Å; K199-L232 HydrophobicContact CD-CD2 4.47Å; K199-L232 WeakPolarHBondContact CE-O 3.24Å; K199-L232 HydrophobicContact CG-CB 4.49Å; K199-L232 HydrophobicContact CG-CD2 4.02Å; K199-V236 HydrophobicContact CB-CG1 3.78Å; K199-V236 HydrophobicContact CD-CG1 3.74Å; K199-V236 HydrophobicContact CG-CG1 3.7Å
200R91.4Very high89.3Confident35 Ų3550.3 Ų50.313%0.13223%0.232CC..Hα-helixtrans-61.7-52.2171.3-179.8-179.4-66.5135.5-4.3111.9L177 H196 Y197 K198 Q202 G203 R204 V236 D238L177-R200 HydrophobicContact CD1-CG 4.28Å; H196-R200 PolarHBondContact CE1-NH2 3.12Å; H196-R200 VanDerWaalsContact CE1-NH2 3.35Å; H196-R200 WeakPolarHBondContact O-CB 3.48Å; H196-R200 PolarHBondContact O-N 2.85Å; Y197-R200 WeakPolarHBondContact O-CB 3.44Å; Y197-R200 PolarHBondContact O-N 2.9Å; K198-R200 VanDerWaalsContact C-N 3.34Å; K198-R200 PolarHBondContact O-N 2.92Å; R200-Q202 VanDerWaalsContact C-N 3.28Å; R200-Q202 PolarHBondContact O-N 2.79Å; R200-G203 PolarHBondContact O-N 2.96Å; R200-R204 HydrophobicContact CG-CG 4.44Å; R200-R204 WeakPolarHBondContact O-CG 3.48Å; R200-R204 PolarHBondContact O-N 2.79Å; R200-V236 HydrophobicContact CB-CG2 4.25Å; R200-D238 WeakPolarHBondContact CD-OD2 3.25Å; R200-D238 VanDerWaalsContact CG-OD2 3.22Å; R200-D238 WeakPolarHBondContact CG-OD2 3.28Å; R200-D238 IonicContact NE-OD2 2.76Å
201C91.1Very high90.3Very high2 Ų247 Ų471%0.01422%0.215CC..Hα-helixtrans-58-44.5179.4-61.30000111I175 Y197 K198 R204 M205I175-C201 HydrophobicContact CB-CB 4.09Å; I175-C201 HydrophobicContact CG2-CB 3.94Å; Y197-C201 WeakPolarHBondContact CE1-SG 3.43Å; Y197-C201 PolarHBondContact O-N 3.03Å; Y197-C201 PolarHBondContact O-SG 2.79Å; K198-C201 PolarHBondContact O-N 2.73Å; C201-R204 PolarHBondContact O-N 2.77Å; C201-M205 WeakPolarHBondContact O-CB 3.41Å; C201-M205 PolarHBondContact O-N 3Å
202Q91.1Very high91.1Very high75 Ų7542.4 Ų42.435%0.3519%0.19SC..Hα-helixtrans-61-46.1176-166.4-176.428.200112.2I175 K198 R200 M205 R206 L232I175-Q202 HydrophobicContact CD1-CB 4.27Å; I175-Q202 HydrophobicContact CD1-CG 4.47Å; K198-Q202 WeakPolarHBondContact O-CB 3.31Å; K198-Q202 PolarHBondContact O-N 2.84Å; R200-Q202 VanDerWaalsContact C-N 3.28Å; R200-Q202 PolarHBondContact O-N 2.79Å; Q202-M205 PolarHBondContact O-N 2.96Å; Q202-R206 WeakPolarHBondContact O-CB 3.27Å; Q202-R206 VanDerWaalsContact O-CG 3.29Å; Q202-R206 WeakPolarHBondContact O-CG 3.46Å; Q202-R206 PolarHBondContact O-N 2.95Å; Q202-L232 HydrophobicContact CB-CD1 4.33Å; Q202-L232 HydrophobicContact CG-CD1 3.86Å
203G93.3Very high91.7Very high0 Ų040.2 Ų40.20%018%0.177CC..Hα-helixtrans-61.4-46.3178.100000112.9K199 R200 R206 K207K199-G203 PolarHBondContact O-N 2.85Å; R200-G203 PolarHBondContact O-N 2.96Å; G203-R206 PolarHBondContact O-N 2.9Å; G203-K207 PolarHBondContact O-N 3.33Å
204R94.6Very high92.4Very high1 Ų136.3 Ų36.30%0.00416%0.156CC..Hα-helixtrans-63.9-41.5176.9-64.6-172.5-175.9-155.4-11.3111.5L178 E183 R200 C201 K207 H208 L233 D238 W241L178-R204 HydrophobicContact CB-CB 4.5Å; L178-R204 WeakPolarHBondContact O-CD 2.96Å; L178-R204 PolarHBondContact O-NH1 2.86Å; E183-R204 IonicContact OE1-CZ 3Å; E183-R204 IonicContact OE1-NH1 3.26Å; E183-R204 IonicContact OE1-NH2 3.17Å; E183-R204 PolarHBondContact OE1-NH2 3.39Å; E183-R204 IonicContact OE2-CZ 3.53Å; E183-R204 IonicContact OE2-NH1 3.51Å; E183-R204 PolarHBondContact OE2-NH1 3Å; E183-R204 IonicContact OE2-NH2 3.79Å; R200-R204 HydrophobicContact CG-CG 4.44Å; R200-R204 WeakPolarHBondContact O-CG 3.48Å; R200-R204 PolarHBondContact O-N 2.79Å; C201-R204 PolarHBondContact O-N 2.77Å; R204-K207 WeakPolarHBondContact O-CB 3.45Å; R204-K207 PolarHBondContact O-N 2.84Å; R204-H208 PolarHBondContact O-N 2.96Å; R204-L233 HydrophobicContact CG-CD2 3.99Å; R204-D238 IonicContact CZ-OD2 3.79Å; R204-D238 IonicContact NE-OD2 2.87Å; R204-D238 PolarHBondContact NE-OD2 2.87Å; R204-D238 IonicContact NH2-OD1 3.6Å; R204-D238 PolarHBondContact NH2-OD1 2.87Å; R204-D238 IonicContact NH2-OD2 2.78Å; R204-D238 PolarHBondContact NH2-OD2 3.23Å; R204-W241 HydrophobicContact CB-CD2 4.18Å; R204-W241 HydrophobicContact CB-CE3 3.84Å; R204-W241 HydrophobicContact CB-CZ3 4.06Å; R204-W241 HydrophobicContact CG-CB 4.12Å; R204-W241 HydrophobicContact CG-CD2 3.56Å; R204-W241 HydrophobicContact CG-CE3 3.73Å; R204-W241 HydrophobicContact CG-CG 3.74Å; R204-W241 HydrophobicContact CG-CZ3 4.36Å; R204-W241 VanDerWaalsContact NE-CD1 3.35Å
205M93.6Very high92.8Very high18 Ų1834.8 Ų34.89%0.08915%0.145CC..Hα-helixtrans-65-43.5176.8-1735873.100111.9R166 I175 C201 Q202 K207 H208 V209R166-M205 HydrophobicContact CB-SD 4.12Å; R166-M205 HydrophobicContact CG-SD 4.22Å; I175-M205 HydrophobicContact CG2-CB 4.1Å; I175-M205 HydrophobicContact CG2-CE 4.3Å; I175-M205 HydrophobicContact CG2-CG 4.44Å; C201-M205 WeakPolarHBondContact O-CB 3.41Å; C201-M205 PolarHBondContact O-N 3Å; Q202-M205 PolarHBondContact O-N 2.96Å; M205-K207 VanDerWaalsContact C-N 3.32Å; M205-K207 PolarHBondContact O-N 2.86Å; M205-H208 WeakPolarHBondContact O-CB 3.48Å; M205-H208 PolarHBondContact O-N 3.31Å; M205-H208 VanDerWaalsContact O-N 3.13Å; M205-V209 HydrophobicContact CG-CG2 4.42Å; M205-V209 WeakPolarHBondContact O-CG2 3.44Å; M205-V209 PolarHBondContact O-N 3.49Å; M205-V209 HydrophobicContact SD-CG2 4.41Å
206R94Very high93.2Very high63 Ų6324 Ų2424%0.23811%0.105CC..Hα-helixtrans-59.2-42.5175.3-72.6-64.7-175.6-160.40.1111.9Q202 G203 H208 V209 G210 A229 L232Q202-R206 WeakPolarHBondContact O-CB 3.27Å; Q202-R206 VanDerWaalsContact O-CG 3.29Å; Q202-R206 WeakPolarHBondContact O-CG 3.46Å; Q202-R206 PolarHBondContact O-N 2.95Å; G203-R206 PolarHBondContact O-N 2.9Å; R206-H208 VanDerWaalsContact C-N 3.33Å; R206-H208 PolarHBondContact O-N 2.93Å; R206-V209 PolarHBondContact O-N 3.09Å; R206-G210 PolarHBondContact O-N 3.26Å; R206-A229 HydrophobicContact CB-CB 3.99Å; R206-L232 HydrophobicContact CG-CD1 4.06Å
207K96Very high93.3Very high1 Ų121.7 Ų21.70%0.00410%0.103CC..Hα-helixtrans-57.2-49.1173.7-170.8-86173.8-169.80110.8F71 G203 R204 M205 G210 D211 Y226 A229 W241 A244 A245F71-K207 PolarHBondContact O-NZ 2.9Å; G203-K207 PolarHBondContact O-N 3.33Å; R204-K207 WeakPolarHBondContact O-CB 3.45Å; R204-K207 PolarHBondContact O-N 2.84Å; M205-K207 VanDerWaalsContact C-N 3.32Å; M205-K207 PolarHBondContact O-N 2.86Å; K207-G210 WeakPolarHBondContact O-CA 3.42Å; K207-G210 PolarHBondContact O-N 3.41Å; K207-G210 VanDerWaalsContact O-N 3.14Å; K207-D211 WeakPolarHBondContact CE-OD1 3.49Å; K207-D211 IonicContact NZ-OD1 3.22Å; K207-D211 PolarHBondContact NZ-OD1 2.86Å; K207-D211 IonicContact NZ-OD2 2.79Å; K207-D211 PolarHBondContact NZ-OD2 2.99Å; K207-D211 PolarHBondContact O-N 3.06Å; K207-Y226 HydrophobicContact CG-CE1 4.44Å; K207-A229 HydrophobicContact CB-CB 3.83Å; K207-W241 HydrophobicContact CD-CE3 4.47Å; K207-A244 HydrophobicContact CD-CB 4.44Å; K207-A244 VanDerWaalsContact CE-O 3.27Å; K207-A244 WeakPolarHBondContact CE-O 3.41Å; K207-A245 HydrophobicContact CB-CB 4.41Å; K207-A245 HydrophobicContact CG-CB 3.85Å
208H95.6Very high93.4Very high1 Ų121.9 Ų21.91%0.00511%0.105CC..Hα-helixtrans-64.2-42-178.2-164.692.1000112.9D70 T73 R166 L178 R204 M205 R206 G210 D211 L212D70-H208 PolarHBondContact O-ND1 2.97Å; D70-H208 IonicContact OD1-CE1 3.89Å; T73-H208 WeakPolarHBondContact CG2-CE1 3.44Å; R166-H208 PolarHBondContact NH1-CD2 2.85Å; R166-H208 PolarHBondContact NH1-NE2 2.85Å; L178-H208 HydrophobicContact CD1-CB 3.56Å; R204-H208 PolarHBondContact O-N 2.96Å; M205-H208 WeakPolarHBondContact O-CB 3.48Å; M205-H208 PolarHBondContact O-N 3.31Å; M205-H208 VanDerWaalsContact O-N 3.13Å; R206-H208 VanDerWaalsContact C-N 3.33Å; R206-H208 PolarHBondContact O-N 2.93Å; H208-G210 VanDerWaalsContact C-N 3.27Å; H208-G210 PolarHBondContact O-N 3.44Å; H208-D211 PolarHBondContact O-N 3.4Å; H208-L212 WeakPolarHBondContact O-CG 3.47Å; H208-L212 PolarHBondContact O-N 3.46Å
209V94.8Very high93.5Very high1 Ų118.6 Ų18.61%0.0069%0.093CC..Hα-helixtrans-61.6-39172.7174.90000110.5R166 A167 M205 R206 D211 L212 C213R166-V209 HydrophobicContact CB-CG2 3.78Å; A167-V209 HydrophobicContact CB-CG1 3.96Å; M205-V209 HydrophobicContact CG-CG2 4.42Å; M205-V209 WeakPolarHBondContact O-CG2 3.44Å; M205-V209 PolarHBondContact O-N 3.49Å; M205-V209 HydrophobicContact SD-CG2 4.41Å; R206-V209 PolarHBondContact O-N 3.09Å; V209-D211 VanDerWaalsContact C-N 3.34Å; V209-D211 PolarHBondContact O-N 3.4Å; V209-L212 PolarHBondContact O-N 3.13Å; V209-C213 WeakPolarHBondContact O-CB 3.44Å; V209-C213 PolarHBondContact O-N 3.19Å; V209-C213 PolarHBondContact O-SG 3.21Å; V209-C213 VanDerWaalsContact O-SG 3.33Å
210G95.7Very high93.5Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-55.7-46.3172.200000112.8R206 K207 H208 C213 L214 A222R206-G210 PolarHBondContact O-N 3.26Å; K207-G210 WeakPolarHBondContact O-CA 3.42Å; K207-G210 PolarHBondContact O-N 3.41Å; K207-G210 VanDerWaalsContact O-N 3.14Å; H208-G210 VanDerWaalsContact C-N 3.27Å; H208-G210 PolarHBondContact O-N 3.44Å; G210-C213 PolarHBondContact O-N 2.82Å; G210-L214 PolarHBondContact O-N 3.12Å; G210-A222 WeakPolarHBondContact O-CB 3.28Å
211D97.3Very high93.5Very high2 Ų219.3 Ų19.31%0.01110%0.101CC..Hα-helixtrans-63.5-43.1176.5-53.6-27.4000112.5T73 K207 H208 V209 C213 L214 Q215 Y226T73-D211 HydrophobicContact CG2-CB 3.77Å; T73-D211 WeakPolarHBondContact OG1-CB 3.24Å; K207-D211 WeakPolarHBondContact CE-OD1 3.49Å; K207-D211 IonicContact NZ-OD1 3.22Å; K207-D211 PolarHBondContact NZ-OD1 2.86Å; K207-D211 IonicContact NZ-OD2 2.79Å; K207-D211 PolarHBondContact NZ-OD2 2.99Å; K207-D211 PolarHBondContact O-N 3.06Å; H208-D211 PolarHBondContact O-N 3.4Å; V209-D211 VanDerWaalsContact C-N 3.34Å; V209-D211 PolarHBondContact O-N 3.4Å; D211-C213 PolarHBondContact O-N 3.09Å; D211-L214 WeakPolarHBondContact O-CB 3.37Å; D211-L214 PolarHBondContact O-N 2.88Å; D211-Q215 WeakPolarHBondContact O-CG 3.47Å; D211-Q215 PolarHBondContact O-N 2.91Å; D211-Y226 VanDerWaalsContact CA-OH 3.27Å; D211-Y226 WeakPolarHBondContact CA-OH 3.39Å; D211-Y226 PolarHBondContact N-OH 3Å; D211-Y226 VanDerWaalsContact OD1-CE1 3.25Å; D211-Y226 WeakPolarHBondContact OD1-CE1 3.01Å; D211-Y226 PolarHBondContact OD1-OH 2.99Å
212L96Very high93.6Very high2 Ų219.2 Ų19.21%0.0110%0.1CC..Hα-helixtrans-65-39178.1-65177.1000111.9T73 L159 R163 H208 V209 L214 Q215 A216T73-L212 HydrophobicContact CG2-CD2 4.3Å; L159-L212 HydrophobicContact CD1-CD2 3.74Å; R163-L212 HydrophobicContact CB-CB 4.1Å; R163-L212 HydrophobicContact CB-CD1 4.47Å; R163-L212 HydrophobicContact CG-CB 3.94Å; H208-L212 WeakPolarHBondContact O-CG 3.47Å; H208-L212 PolarHBondContact O-N 3.46Å; V209-L212 PolarHBondContact O-N 3.13Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L212-Q215 PolarHBondContact O-N 3.14Å; L212-A216 VanDerWaalsContact O-CB 3.25Å; L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 2.82Å
213C94.8Very high93.7Very high0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-60.6-42.9172.4-72.90000111V209 G210 D211 A216 G217 M218 D221 A222V209-C213 WeakPolarHBondContact O-CB 3.44Å; V209-C213 PolarHBondContact O-N 3.19Å; V209-C213 PolarHBondContact O-SG 3.21Å; V209-C213 VanDerWaalsContact O-SG 3.33Å; G210-C213 PolarHBondContact O-N 2.82Å; D211-C213 PolarHBondContact O-N 3.09Å; C213-A216 PolarHBondContact O-N 2.89Å; C213-G217 PolarHBondContact O-N 2.95Å; C213-M218 HydrophobicContact CB-CB 4.24Å; C213-M218 WeakPolarHBondContact O-CA 3.41Å; C213-M218 WeakPolarHBondContact O-CB 3.29Å; C213-M218 PolarHBondContact O-N 2.81Å; C213-D221 HydrophobicContact CB-CB 4.4Å; C213-A222 HydrophobicContact CB-CB 3.96Å
214L94.8Very high93.7Very high2 Ų217.5 Ų17.51%0.019%0.094CC..Hα-helixtrans-64.6-45.1178.8-171.358.8000111.7H13 Q14 G210 D211 L212 A216 G217 L219 A222 Y226 A252 I255H13-L214 HydrophobicContact CB-CD2 3.74Å; Q14-L214 HydrophobicContact CB-CD1 4.25Å; Q14-L214 HydrophobicContact CB-CG 3.95Å; G210-L214 PolarHBondContact O-N 3.12Å; D211-L214 WeakPolarHBondContact O-CB 3.37Å; D211-L214 PolarHBondContact O-N 2.88Å; L212-L214 VanDerWaalsContact C-N 3.31Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 2.82Å; L214-G217 PolarHBondContact O-N 3.37Å; L214-G217 VanDerWaalsContact O-N 3.13Å; L214-L219 HydrophobicContact CD1-CD1 3.52Å; L214-A222 HydrophobicContact CB-CB 3.86Å; L214-A222 HydrophobicContact CD1-CB 4.37Å; L214-Y226 HydrophobicContact CD2-CE2 4.43Å; L214-A252 HydrophobicContact CD1-CB 4.22Å; L214-A252 HydrophobicContact CD2-CB 4.32Å; L214-I255 HydrophobicContact CD1-CD1 3.98Å; L214-I255 HydrophobicContact CD2-CD1 4.2Å; L214-I255 HydrophobicContact CG-CD1 4.39Å
215Q95.3Very high93.7Very high4 Ų418.7 Ų18.72%0.01910%0.1CC..Hα-helixtrans-65-31.4175.4-69.7178.8-58.900113.1H13 T15 V16 L53 T73 L159 D211 L212 G217H13-Q215 WeakPolarHBondContact O-CG 3.43Å; T15-Q215 PolarHBondContact O-NE2 2.84Å; V16-Q215 HydrophobicContact CG1-CB 4.45Å; L53-Q215 WeakPolarHBondContact CD1-O 3.34Å; T73-Q215 VanDerWaalsContact CB-OE1 3.29Å; T73-Q215 PolarHBondContact O-NE2 2.81Å; T73-Q215 VanDerWaalsContact OG1-CD 3.25Å; T73-Q215 PolarHBondContact OG1-OE1 3.11Å; L159-Q215 HydrophobicContact CD2-CB 4.15Å; D211-Q215 WeakPolarHBondContact O-CG 3.47Å; D211-Q215 PolarHBondContact O-N 2.91Å; L212-Q215 PolarHBondContact O-N 3.14Å; Q215-G217 PolarHBondContact O-N 3.31Å
216A93.3Very high93.9Very high1 Ų117.8 Ų17.81%0.00810%0.096CC..THydrogen-bonded Turntrans-79.43.6175.400000113.5R51 F156 L159 L212 C213 L214R51-A216 WeakPolarHBondContact CD-O 3.18Å; F156-A216 HydrophobicContact CE2-CB 4.39Å; L159-A216 HydrophobicContact CD2-CB 4.25Å; L212-A216 VanDerWaalsContact O-CB 3.25Å; L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 2.82Å; C213-A216 PolarHBondContact O-N 2.89Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 2.82Å
217G90.7Very high93.9Very high33 Ų3317.7 Ų17.734%0.3410%0.098SC..THydrogen-bonded Turntrans78.615.4-179.700000114.6C213 L214 Q215 L219C213-G217 PolarHBondContact O-N 2.95Å; L214-G217 PolarHBondContact O-N 3.37Å; L214-G217 VanDerWaalsContact O-N 3.13Å; Q215-G217 PolarHBondContact O-N 3.31Å; G217-L219 PolarHBondContact O-N 2.99Å
218M90.8Very high93.7Very high40 Ų4020 Ų2020%0.19711%0.109CC..  trans-99.469.6-179.7-62.1179.463.100111R51 R163 C213 Q220 D221 A222R51-M218 PolarHBondContact NH1-SD 2.83Å; R163-M218 VanDerWaalsContact CZ-SD 3.54Å; C213-M218 HydrophobicContact CB-CB 4.24Å; C213-M218 WeakPolarHBondContact O-CA 3.41Å; C213-M218 WeakPolarHBondContact O-CB 3.29Å; C213-M218 PolarHBondContact O-N 2.81Å; M218-Q220 PolarHBondContact O-N 2.78Å; M218-D221 HydrophobicContact CB-CB 4.35Å; M218-D221 HydrophobicContact CE-CB 4.42Å; M218-D221 WeakPolarHBondContact CE-OD2 3.23Å; M218-D221 PolarHBondContact O-N 2.83Å; M218-A222 PolarHBondContact O-N 2.95Å
219L90.2Very high93.7Very high37 Ų3719.9 Ų19.919%0.19411%0.109CC..Hα-helixtrans-59.3-41.6-171.7-175.961.6000113.9L214 G217 A222 L223 A252 I255 F256L214-L219 HydrophobicContact CD1-CD1 3.52Å; G217-L219 PolarHBondContact O-N 2.99Å; L219-A222 WeakPolarHBondContact O-CB 3.39Å; L219-A222 PolarHBondContact O-N 3.24Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 2.9Å; L219-L223 VanDerWaalsContact O-N 3.13Å; L219-A252 HydrophobicContact CD1-CB 3.87Å; L219-A252 WeakPolarHBondContact CD1-O 3.46Å; L219-I255 HydrophobicContact CD1-CB 4.49Å; L219-I255 HydrophobicContact CD1-CG2 4.35Å; L219-I255 HydrophobicContact CD2-CG2 4.41Å; L219-F256 HydrophobicContact CD2-CB 3.99Å; L219-F256 HydrophobicContact CD2-CD2 4.06Å
220Q89.2Confident93.8Very high63 Ų6320.2 Ų20.229%0.29411%0.111SC..Hα-helixtrans-68.5-41.8-177.5-66.9-64.2-3700111.9M218 A222 L223 V224 R312M218-Q220 PolarHBondContact O-N 2.78Å; Q220-A222 VanDerWaalsContact C-N 3.33Å; Q220-L223 PolarHBondContact O-N 2.9Å; Q220-V224 WeakPolarHBondContact O-CG2 3.1Å; Q220-V224 PolarHBondContact O-N 2.83Å; Q220-R312 PolarHBondContact NE2-O 2.9Å; Q220-R312 PolarHBondContact OE1-O 3.43Å
221D90.5Very high93.7Very high60 Ų6025.2 Ų25.232%0.32113%0.134SC..Hα-helixtrans-68.8-35.2177.4-61.2-50.3000111.6C213 M218 V224 H225C213-D221 HydrophobicContact CB-CB 4.4Å; M218-D221 HydrophobicContact CB-CB 4.35Å; M218-D221 HydrophobicContact CE-CB 4.42Å; M218-D221 WeakPolarHBondContact CE-OD2 3.23Å; M218-D221 PolarHBondContact O-N 2.83Å; D221-V224 PolarHBondContact O-N 3.26Å; D221-H225 PolarHBondContact O-CD2 2.87Å; D221-H225 PolarHBondContact O-N 3.37Å
222A94.3Very high93.5Very high0 Ų026.5 Ų26.50%014%0.14CC..Hα-helixtrans-58.6-48.6172.300000111.7G210 C213 L214 M218 L219 Q220 V224 H225 Y226G210-A222 WeakPolarHBondContact O-CB 3.28Å; C213-A222 HydrophobicContact CB-CB 3.96Å; L214-A222 HydrophobicContact CB-CB 3.86Å; L214-A222 HydrophobicContact CD1-CB 4.37Å; M218-A222 PolarHBondContact O-N 2.95Å; L219-A222 WeakPolarHBondContact O-CB 3.39Å; L219-A222 PolarHBondContact O-N 3.24Å; Q220-A222 VanDerWaalsContact C-N 3.33Å; A222-V224 VanDerWaalsContact C-N 3.33Å; A222-V224 PolarHBondContact O-N 3.07Å; A222-H225 PolarHBondContact O-N 2.96Å; A222-Y226 HydrophobicContact CB-CD2 4.43Å; A222-Y226 HydrophobicContact CB-CE2 4.09Å; A222-Y226 WeakPolarHBondContact O-CD2 3.33Å; A222-Y226 PolarHBondContact O-N 3.01Å
223L93.8Very high93.5Very high0 Ų026.4 Ų26.40%014%0.14CC..Hα-helixtrans-57.1-43.9177.6-71170.8000112.1L219 Q220 Y226 H227 L249 A252 N315 C316L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 2.9Å; L219-L223 VanDerWaalsContact O-N 3.13Å; Q220-L223 PolarHBondContact O-N 2.9Å; L223-Y226 PolarHBondContact O-N 2.79Å; L223-H227 PolarHBondContact O-CD2 2.96Å; L223-H227 VanDerWaalsContact O-CD2 3.23Å; L223-H227 PolarHBondContact O-N 2.83Å; L223-H227 VanDerWaalsContact O-N 3.13Å; L223-L249 HydrophobicContact CD2-CD1 3.74Å; L223-A252 HydrophobicContact CD2-CB 3.6Å; L223-A252 HydrophobicContact CG-CB 4.18Å; L223-N315 HydrophobicContact CB-CB 4.21Å; L223-C316 HydrophobicContact CD1-CB 4.12Å
224V93.3Very high93.6Very high38 Ų3831.1 Ų31.123%0.2316%0.158CC..Hα-helixtrans-61.1-49.1177.1173.90000110.9Q220 D221 A222 Y226 H227 M228 N315Q220-V224 WeakPolarHBondContact O-CG2 3.1Å; Q220-V224 PolarHBondContact O-N 2.83Å; D221-V224 PolarHBondContact O-N 3.26Å; A222-V224 VanDerWaalsContact C-N 3.33Å; A222-V224 PolarHBondContact O-N 3.07Å; V224-Y226 VanDerWaalsContact C-N 3.33Å; V224-Y226 PolarHBondContact O-N 3.48Å; V224-H227 PolarHBondContact O-N 2.6Å; V224-M228 HydrophobicContact CG1-SD 4.25Å; V224-M228 WeakPolarHBondContact O-CG 3.33Å; V224-M228 PolarHBondContact O-N 2.69Å; V224-M228 VanDerWaalsContact O-N 3.08Å; V224-N315 WeakPolarHBondContact CG2-ND2 3.46Å
225H93.9Very high93.4Very high26 Ų2633.3 Ų33.312%0.1218%0.181CC..Hα-helixtrans-64.8-35.6-179.2-76.3-48000113.3D221 A222 A229D221-H225 PolarHBondContact O-CD2 2.87Å; D221-H225 PolarHBondContact O-N 3.37Å; A222-H225 PolarHBondContact O-N 2.96Å; H225-A229 WeakPolarHBondContact O-CB 3.27Å; H225-A229 PolarHBondContact O-N 2.85Å
226Y97Very high93.3Very high0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-65.7-44174.4-70.6-50.5000112.6K207 D211 L214 A222 L223 V224 M228 A229 V230 G248 L249 A252K207-Y226 HydrophobicContact CG-CE1 4.44Å; D211-Y226 VanDerWaalsContact CA-OH 3.27Å; D211-Y226 WeakPolarHBondContact CA-OH 3.39Å; D211-Y226 PolarHBondContact N-OH 3Å; D211-Y226 VanDerWaalsContact OD1-CE1 3.25Å; D211-Y226 WeakPolarHBondContact OD1-CE1 3.01Å; D211-Y226 PolarHBondContact OD1-OH 2.99Å; L214-Y226 HydrophobicContact CD2-CE2 4.43Å; A222-Y226 HydrophobicContact CB-CD2 4.43Å; A222-Y226 HydrophobicContact CB-CE2 4.09Å; A222-Y226 WeakPolarHBondContact O-CD2 3.33Å; A222-Y226 PolarHBondContact O-N 3.01Å; L223-Y226 PolarHBondContact O-N 2.79Å; V224-Y226 VanDerWaalsContact C-N 3.33Å; V224-Y226 PolarHBondContact O-N 3.48Å; Y226-M228 PolarHBondContact O-N 2.91Å; Y226-A229 WeakPolarHBondContact O-CB 3.3Å; Y226-A229 PolarHBondContact O-N 2.75Å; Y226-V230 VanDerWaalsContact O-CG2 3.3Å; Y226-V230 WeakPolarHBondContact O-CG2 3.42Å; Y226-V230 PolarHBondContact O-N 3.06Å; Y226-G248 VanDerWaalsContact CE2-C 3.49Å; Y226-G248 WeakPolarHBondContact CE2-O 3.15Å; Y226-L249 HydrophobicContact CG-CB 4.41Å; Y226-A252 HydrophobicContact CD2-CB 4.4Å; Y226-A252 HydrophobicContact CE2-CB 4.23Å
227H94.7Very high93.3Very high60 Ų6038.3 Ų38.328%0.27821%0.208SC..Hα-helixtrans-59.6-46174.9-81.5-64.2000112.1L223 V224 A229 V230 E231 N315L223-H227 PolarHBondContact O-CD2 2.96Å; L223-H227 VanDerWaalsContact O-CD2 3.23Å; L223-H227 PolarHBondContact O-N 2.83Å; L223-H227 VanDerWaalsContact O-N 3.13Å; V224-H227 PolarHBondContact O-N 2.6Å; H227-A229 VanDerWaalsContact C-N 3.31Å; H227-A229 PolarHBondContact O-N 3.41Å; H227-V230 PolarHBondContact O-N 2.85Å; H227-E231 PolarHBondContact O-N 2.79Å; H227-E231 VanDerWaalsContact O-N 3.08Å; H227-N315 PolarHBondContact NE2-O 2.98Å
228M93Very high93.5Very high49 Ų4937 Ų3724%0.24119%0.193CC..Hα-helixtrans-58.7-42.7174.9-66.617877.100112V224 Y226 E231 L232V224-M228 HydrophobicContact CG1-SD 4.25Å; V224-M228 WeakPolarHBondContact O-CG 3.33Å; V224-M228 PolarHBondContact O-N 2.69Å; V224-M228 VanDerWaalsContact O-N 3.08Å; Y226-M228 PolarHBondContact O-N 2.91Å; M228-E231 PolarHBondContact O-N 2.79Å; M228-L232 WeakPolarHBondContact O-CB 3.46Å; M228-L232 VanDerWaalsContact O-CG 3.23Å; M228-L232 WeakPolarHBondContact O-CG 3.39Å; M228-L232 PolarHBondContact O-N 3.46Å; M228-L232 VanDerWaalsContact O-N 3.09Å
229A95.5Very high93.7Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-63.1-44.2177.700000111.7R206 K207 H225 Y226 H227 E231 L232 L233 A245R206-A229 HydrophobicContact CB-CB 3.99Å; K207-A229 HydrophobicContact CB-CB 3.83Å; H225-A229 WeakPolarHBondContact O-CB 3.27Å; H225-A229 PolarHBondContact O-N 2.85Å; Y226-A229 WeakPolarHBondContact O-CB 3.3Å; Y226-A229 PolarHBondContact O-N 2.75Å; H227-A229 VanDerWaalsContact C-N 3.31Å; H227-A229 PolarHBondContact O-N 3.41Å; A229-E231 PolarHBondContact O-N 2.72Å; A229-L232 PolarHBondContact O-N 3.08Å; A229-L233 HydrophobicContact CB-CD1 4.28Å; A229-L233 VanDerWaalsContact O-CB 3.24Å; A229-L233 WeakPolarHBondContact O-CB 3.49Å; A229-L233 WeakPolarHBondContact O-CD1 3.1Å; A229-L233 WeakPolarHBondContact O-CG 3.12Å; A229-L233 PolarHBondContact O-N 3.14Å; A229-A245 HydrophobicContact CB-CB 3.96Å
230V96.4Very high94Very high8 Ų836 Ų365%0.04819%0.186CC..Hα-helixtrans-57.9-46.9177.81660000111.2Y226 H227 R234 L242 A245 L246Y226-V230 VanDerWaalsContact O-CG2 3.3Å; Y226-V230 WeakPolarHBondContact O-CG2 3.42Å; Y226-V230 PolarHBondContact O-N 3.06Å; H227-V230 PolarHBondContact O-N 2.85Å; V230-R234 VanDerWaalsContact CG1-NH1 3.29Å; V230-R234 WeakPolarHBondContact O-CB 3.2Å; V230-R234 PolarHBondContact O-N 3Å; V230-L242 HydrophobicContact CB-CD1 4.21Å; V230-L242 HydrophobicContact CG1-CD1 3.96Å; V230-L242 HydrophobicContact CG2-CD1 4.29Å; V230-A245 HydrophobicContact CG2-CB 3.78Å; V230-L246 HydrophobicContact CG1-CD2 4.17Å; V230-L246 HydrophobicContact CG2-CD2 3.77Å; V230-L246 HydrophobicContact CG2-CG 4.11Å
231E93.6Very high94.3Very high105 Ų10533 Ų3349%0.49117%0.172SC..Hα-helixtrans-63.9-45.3177.9-69.7-177.7169.300112.8H227 M228 A229 G235H227-E231 PolarHBondContact O-N 2.79Å; H227-E231 VanDerWaalsContact O-N 3.08Å; M228-E231 PolarHBondContact O-N 2.79Å; A229-E231 PolarHBondContact O-N 2.72Å; E231-G235 PolarHBondContact O-N 3.03Å
232L93.3Very high94.7Very high28 Ų2830.2 Ų30.215%0.14716%0.157CC..Hα-helixtrans-65.2-47.9-179.1-69.5171.6000111.5K199 Q202 R206 M228 A229 G235K199-L232 HydrophobicContact CD-CD2 4.47Å; K199-L232 WeakPolarHBondContact CE-O 3.24Å; K199-L232 HydrophobicContact CG-CB 4.49Å; K199-L232 HydrophobicContact CG-CD2 4.02Å; Q202-L232 HydrophobicContact CB-CD1 4.33Å; Q202-L232 HydrophobicContact CG-CD1 3.86Å; R206-L232 HydrophobicContact CG-CD1 4.06Å; M228-L232 WeakPolarHBondContact O-CB 3.46Å; M228-L232 VanDerWaalsContact O-CG 3.23Å; M228-L232 WeakPolarHBondContact O-CG 3.39Å; M228-L232 PolarHBondContact O-N 3.46Å; M228-L232 VanDerWaalsContact O-N 3.09Å; A229-L232 PolarHBondContact O-N 3.08Å; L232-G235 PolarHBondContact O-N 3.31Å
233L95.8Very high94.8Very high0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-71.5-37.8-176.3-66.5167.1000112.3R204 A229 G235 V236 N237 D238 W241 L242 A245R204-L233 HydrophobicContact CG-CD2 3.99Å; A229-L233 HydrophobicContact CB-CD1 4.28Å; A229-L233 VanDerWaalsContact O-CB 3.24Å; A229-L233 WeakPolarHBondContact O-CB 3.49Å; A229-L233 WeakPolarHBondContact O-CD1 3.1Å; A229-L233 WeakPolarHBondContact O-CG 3.12Å; A229-L233 PolarHBondContact O-N 3.14Å; L233-G235 VanDerWaalsContact C-N 3.29Å; L233-G235 PolarHBondContact O-N 3.04Å; L233-V236 CarbonylContact O-C 3.46Å; L233-V236 WeakPolarHBondContact O-CG2 3.45Å; L233-V236 PolarHBondContact O-N 3.18Å; L233-V236 VanDerWaalsContact O-N 3.16Å; L233-N237 PolarHBondContact O-N 3.46Å; L233-N237 VanDerWaalsContact O-N 3.15Å; L233-D238 HydrophobicContact CD2-CB 3.9Å; L233-D238 PolarHBondContact O-N 3.22Å; L233-W241 HydrophobicContact CD1-CB 3.92Å; L233-W241 HydrophobicContact CD2-CB 4.06Å; L233-L242 HydrophobicContact CB-CB 4.12Å; L233-L242 HydrophobicContact CB-CD1 4.37Å; L233-A245 HydrophobicContact CD1-CB 4.2Å
234R95.6Very high95Very high100 Ų10030.2 Ų30.238%0.37716%0.157SC..Hα-helixtrans-61-40.7172.9-174177-71.5125.6-1.5111.2V230 V236 N237 L242 E328V230-R234 VanDerWaalsContact CG1-NH1 3.29Å; V230-R234 WeakPolarHBondContact O-CB 3.2Å; V230-R234 PolarHBondContact O-N 3Å; R234-V236 PolarHBondContact O-N 3.19Å; R234-V236 VanDerWaalsContact O-N 3.15Å; R234-N237 PolarHBondContact O-N 2.77Å; R234-L242 HydrophobicContact CB-CD1 4.2Å; R234-L242 HydrophobicContact CB-CD2 4.04Å; R234-L242 HydrophobicContact CG-CD2 4.37Å; R234-E328 IonicContact CZ-OE1 3.75Å; R234-E328 IonicContact NE-OE1 2.79Å; R234-E328 IonicContact NH2-OE1 2.76Å; R234-E328 PolarHBondContact NH2-OE1 2.81Å; R234-E328 IonicContact NH2-OE2 3.58Å
235G91.6Very high95.2Very high47 Ų4728.4 Ų28.449%0.48515%0.146SC..THydrogen-bonded Turntrans-68.3-7177.600000115.7E231 L232 L233E231-G235 PolarHBondContact O-N 3.03Å; L232-G235 PolarHBondContact O-N 3.31Å; L233-G235 VanDerWaalsContact C-N 3.29Å; L233-G235 PolarHBondContact O-N 3.04Å
236V93.3Very high95.4Very high4 Ų427.3 Ų27.32%0.02414%0.141CC..THydrogen-bonded Turntrans-125.613177.1-62.60000113.2H196 K199 R200 L233 R234 D238H196-V236 PolarHBondContact CE1-O 3.07Å; H196-V236 VanDerWaalsContact NE2-CA 3.34Å; H196-V236 WeakPolarHBondContact NE2-CA 3.32Å; H196-V236 WeakPolarHBondContact NE2-CB 3.43Å; H196-V236 PolarHBondContact NE2-O 2.7Å; K199-V236 HydrophobicContact CB-CG1 3.78Å; K199-V236 HydrophobicContact CD-CG1 3.74Å; K199-V236 HydrophobicContact CG-CG1 3.7Å; R200-V236 HydrophobicContact CB-CG2 4.25Å; L233-V236 CarbonylContact O-C 3.46Å; L233-V236 WeakPolarHBondContact O-CG2 3.45Å; L233-V236 PolarHBondContact O-N 3.18Å; L233-V236 VanDerWaalsContact O-N 3.16Å; R234-V236 PolarHBondContact O-N 3.19Å; R234-V236 VanDerWaalsContact O-N 3.15Å; V236-D238 HydrophobicContact CG2-CB 4.05Å; V236-D238 PolarHBondContact O-N 2.75Å; V236-D238 VanDerWaalsContact O-N 3.12Å
237N93.9Very high95.5Very high107 Ų10727.3 Ų27.357%0.57214%0.141SC*.THydrogen-bonded Turntrans51.133.8-179.9-62.4-41.5000114.5L233 R234 F239L233-N237 PolarHBondContact O-N 3.46Å; L233-N237 VanDerWaalsContact O-N 3.15Å; R234-N237 PolarHBondContact O-N 2.77Å; N237-F239 VanDerWaalsContact C-N 3.28Å; N237-F239 HydrophobicContact CB-CE2 4.03Å; N237-F239 HydrophobicContact CB-CZ 3.96Å; N237-F239 WeakPolarHBondContact O-CD2 3.43Å; N237-F239 PolarHBondContact O-N 2.9Å
238D93.9Very high95.6Very high6 Ų624.5 Ų24.53%0.03213%0.128CC..  trans-84.273.8175.5-167.4-17000109.9R200 R204 L233 V236 L240 W241 L242R200-D238 WeakPolarHBondContact CD-OD2 3.25Å; R200-D238 VanDerWaalsContact CG-OD2 3.22Å; R200-D238 WeakPolarHBondContact CG-OD2 3.28Å; R200-D238 IonicContact NE-OD2 2.76Å; R204-D238 IonicContact CZ-OD2 3.79Å; R204-D238 IonicContact NE-OD2 2.87Å; R204-D238 PolarHBondContact NE-OD2 2.87Å; R204-D238 IonicContact NH2-OD1 3.6Å; R204-D238 PolarHBondContact NH2-OD1 2.87Å; R204-D238 IonicContact NH2-OD2 2.78Å; R204-D238 PolarHBondContact NH2-OD2 3.23Å; L233-D238 HydrophobicContact CD2-CB 3.9Å; L233-D238 PolarHBondContact O-N 3.22Å; V236-D238 HydrophobicContact CG2-CB 4.05Å; V236-D238 PolarHBondContact O-N 2.75Å; V236-D238 VanDerWaalsContact O-N 3.12Å; D238-L240 VanDerWaalsContact C-N 3.35Å; D238-L240 PolarHBondContact O-N 2.8Å; D238-W241 PolarHBondContact O-N 3.36Å; D238-L242 WeakPolarHBondContact O-CB 3.24Å; D238-L242 PolarHBondContact O-N 2.83Å
239F95.9Very high95.7Very high56 Ų5622.3 Ų22.325%0.24612%0.117CC..Hα-helixtrans-61.9-37.6-168.3-63.4-62000113.6N237 L242 G243 Y332 K335 Y336N237-F239 VanDerWaalsContact C-N 3.28Å; N237-F239 HydrophobicContact CB-CE2 4.03Å; N237-F239 HydrophobicContact CB-CZ 3.96Å; N237-F239 WeakPolarHBondContact O-CD2 3.43Å; N237-F239 PolarHBondContact O-N 2.9Å; F239-L242 HydrophobicContact CD1-CD2 4.42Å; F239-L242 PolarHBondContact O-N 2.86Å; F239-G243 PolarHBondContact O-N 3.17Å; F239-Y332 HydrophobicContact CB-CD1 4.15Å; F239-Y332 HydrophobicContact CB-CG 4.22Å; F239-Y332 AromaticContact CD1-CD1 3.74Å; F239-Y332 HydrophobicContact CD1-CD1 3.74Å; F239-Y332 AromaticContact CD1-CE1 3.58Å; F239-Y332 HydrophobicContact CD1-CE1 3.58Å; F239-Y332 HydrophobicContact CD1-CG 4.37Å; F239-Y332 HydrophobicContact CE1-CE1 4.04Å; F239-Y332 HydrophobicContact CG-CD1 4.23Å; F239-Y332 HydrophobicContact CG-CE1 4.48Å; F239-Y332 WeakPolarHBondContact O-CB 3.41Å; F239-K335 HydrophobicContact CB-CD 4.31Å; F239-K335 HydrophobicContact CD2-CD 4.23Å; F239-K335 HydrophobicContact CG-CD 4.25Å; F239-Y336 HydrophobicContact CB-CE2 4.16Å
240L95.5Very high95.8Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-61.7-50.5-179.8-176.862.8000111.4F71 V180 F182 D238 G243 A244 Y333 Y336 A339F71-L240 HydrophobicContact CE2-CD1 4.34Å; F71-L240 HydrophobicContact CE2-CD2 4.36Å; F71-L240 HydrophobicContact CE2-CG 3.76Å; F71-L240 HydrophobicContact CZ-CD1 3.83Å; F71-L240 HydrophobicContact CZ-CG 3.77Å; F71-L240 WeakPolarHBondContact CZ-O 3.15Å; V180-L240 HydrophobicContact CG1-CD2 3.91Å; V180-L240 HydrophobicContact CG2-CD2 3.8Å; F182-L240 HydrophobicContact CE1-CD2 4.44Å; F182-L240 HydrophobicContact CE2-CD2 4.3Å; F182-L240 HydrophobicContact CZ-CD2 3.63Å; D238-L240 VanDerWaalsContact C-N 3.35Å; D238-L240 PolarHBondContact O-N 2.8Å; L240-G243 PolarHBondContact O-N 3.37Å; L240-A244 PolarHBondContact O-N 3.27Å; L240-Y333 HydrophobicContact CD1-CD1 4.07Å; L240-Y333 HydrophobicContact CD1-CE1 4.43Å; L240-Y336 HydrophobicContact CB-CD2 4.18Å; L240-Y336 HydrophobicContact CB-CE1 4.26Å; L240-Y336 HydrophobicContact CB-CE2 3.66Å; L240-Y336 HydrophobicContact CD1-CD2 4.03Å; L240-Y336 HydrophobicContact CD1-CE2 4.36Å; L240-Y336 HydrophobicContact CD1-CG 4.35Å; L240-Y336 PolarHBondContact N-OH 2.89Å; L240-A339 HydrophobicContact CD1-CB 4.17Å
241W96.4Very high95.8Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-75.4-29.7179.8-73.679.4000112.6D70 F71 L178 V180 E183 R204 K207 L233 D238 G243 A244 A245D70-W241 WeakPolarHBondContact O-CH2 3.33Å; F71-W241 HydrophobicContact CB-CH2 4.39Å; F71-W241 AromaticContact CD2-CD2 3.79Å; F71-W241 HydrophobicContact CD2-CD2 3.79Å; F71-W241 AromaticContact CD2-CE2 3.66Å; F71-W241 HydrophobicContact CD2-CE3 4.04Å; F71-W241 HydrophobicContact CD2-CG 4.37Å; F71-W241 HydrophobicContact CD2-CH2 4.09Å; F71-W241 AromaticContact CD2-CZ2 3.84Å; F71-W241 HydrophobicContact CD2-CZ2 3.84Å; F71-W241 HydrophobicContact CD2-CZ3 4.18Å; F71-W241 AromaticContact CE2-CD2 3.97Å; F71-W241 HydrophobicContact CE2-CD2 3.97Å; F71-W241 HydrophobicContact CE2-CE3 4.43Å; F71-W241 HydrophobicContact CE2-CG 4.08Å; L178-W241 HydrophobicContact CB-CH2 3.51Å; L178-W241 HydrophobicContact CB-CZ2 4.03Å; L178-W241 HydrophobicContact CB-CZ3 4.23Å; L178-W241 HydrophobicContact CD1-CH2 4.38Å; L178-W241 HydrophobicContact CD1-CZ3 4.43Å; L178-W241 WeakPolarHBondContact O-CZ2 3.39Å; V180-W241 HydrophobicContact CG1-CZ2 4.15Å; E183-W241 PolarHBondContact OE2-NE1 2.75Å; R204-W241 HydrophobicContact CB-CD2 4.18Å; R204-W241 HydrophobicContact CB-CE3 3.84Å; R204-W241 HydrophobicContact CB-CZ3 4.06Å; R204-W241 HydrophobicContact CG-CB 4.12Å; R204-W241 HydrophobicContact CG-CD2 3.56Å; R204-W241 HydrophobicContact CG-CE3 3.73Å; R204-W241 HydrophobicContact CG-CG 3.74Å; R204-W241 HydrophobicContact CG-CZ3 4.36Å; R204-W241 VanDerWaalsContact NE-CD1 3.35Å; K207-W241 HydrophobicContact CD-CE3 4.47Å; L233-W241 HydrophobicContact CD1-CB 3.92Å; L233-W241 HydrophobicContact CD2-CB 4.06Å; D238-W241 PolarHBondContact O-N 3.36Å; W241-G243 VanDerWaalsContact C-N 3.33Å; W241-A244 PolarHBondContact O-N 2.68Å; W241-A245 PolarHBondContact O-N 2.99Å
242L97.6Very high95.9Very high0 Ų016.9 Ų16.90%09%0.092CC..Hα-helixtrans-60.6-44.5169.4177.560000110.8V230 L233 R234 D238 F239 A244 A245 L246 Y332V230-L242 HydrophobicContact CB-CD1 4.21Å; V230-L242 HydrophobicContact CG1-CD1 3.96Å; V230-L242 HydrophobicContact CG2-CD1 4.29Å; L233-L242 HydrophobicContact CB-CB 4.12Å; L233-L242 HydrophobicContact CB-CD1 4.37Å; R234-L242 HydrophobicContact CB-CD1 4.2Å; R234-L242 HydrophobicContact CB-CD2 4.04Å; R234-L242 HydrophobicContact CG-CD2 4.37Å; D238-L242 WeakPolarHBondContact O-CB 3.24Å; D238-L242 PolarHBondContact O-N 2.83Å; F239-L242 HydrophobicContact CD1-CD2 4.42Å; F239-L242 PolarHBondContact O-N 2.86Å; L242-A244 VanDerWaalsContact C-N 3.3Å; L242-A244 PolarHBondContact O-N 2.76Å; L242-A245 PolarHBondContact O-N 2.83Å; L242-L246 HydrophobicContact CD1-CD1 4.46Å; L242-L246 HydrophobicContact CD1-CG 4.44Å; L242-L246 HydrophobicContact CG-CD1 4.31Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å; L242-L246 PolarHBondContact O-N 3.12Å; L242-Y332 HydrophobicContact CB-CD2 4.45Å; L242-Y332 HydrophobicContact CB-CE2 4.49Å; L242-Y332 HydrophobicContact CD2-CD2 4.09Å; L242-Y332 HydrophobicContact CD2-CE2 3.37Å; L242-Y332 HydrophobicContact CG-CD2 4.03Å; L242-Y332 HydrophobicContact CG-CE2 3.66Å
243G97.5Very high95.9Very high0 Ų015.6 Ų15.60%09%0.085CC..Hα-helixtrans-57.2-42.7172.800000112.3F239 L240 W241 L246 E247 A329 Y333F239-G243 PolarHBondContact O-N 3.17Å; L240-G243 PolarHBondContact O-N 3.37Å; W241-G243 VanDerWaalsContact C-N 3.33Å; G243-L246 PolarHBondContact O-N 2.78Å; G243-E247 WeakPolarHBondContact O-CB 3.49Å; G243-E247 PolarHBondContact O-N 2.9Å; G243-A329 WeakPolarHBondContact O-CB 3.29Å; G243-Y333 PolarHBondContact O-OH 2.89Å
244A97.5Very high95.9Very high1 Ų115.6 Ų15.61%0.0089%0.085CC..Hα-helixtrans-68.7-35.9177.400000114.1F71 K207 L240 W241 L242 G248 Y333F71-A244 HydrophobicContact CD2-CB 4.26Å; F71-A244 HydrophobicContact CE1-CB 4.06Å; F71-A244 HydrophobicContact CE2-CB 3.59Å; F71-A244 HydrophobicContact CZ-CB 3.5Å; F71-A244 VanDerWaalsContact CZ-CB 3.5Å; K207-A244 HydrophobicContact CD-CB 4.44Å; K207-A244 VanDerWaalsContact CE-O 3.27Å; K207-A244 WeakPolarHBondContact CE-O 3.41Å; L240-A244 PolarHBondContact O-N 3.27Å; W241-A244 PolarHBondContact O-N 2.68Å; L242-A244 VanDerWaalsContact C-N 3.3Å; L242-A244 PolarHBondContact O-N 2.76Å; A244-G248 PolarHBondContact O-N 2.83Å; A244-Y333 WeakPolarHBondContact CA-OH 3.48Å; A244-Y333 PolarHBondContact N-OH 3.42Å
245A97.9Very high95.7Very high0 Ų011.7 Ų11.70%07%0.071CC..Hα-helixtrans-66.9-39.7173.800000111.3K207 A229 V230 L233 W241 L242 G248 L249K207-A245 HydrophobicContact CB-CB 4.41Å; K207-A245 HydrophobicContact CG-CB 3.85Å; A229-A245 HydrophobicContact CB-CB 3.96Å; V230-A245 HydrophobicContact CG2-CB 3.78Å; L233-A245 HydrophobicContact CD1-CB 4.2Å; W241-A245 PolarHBondContact O-N 2.99Å; L242-A245 PolarHBondContact O-N 2.83Å; A245-G248 PolarHBondContact O-N 3.09Å; A245-L249 WeakPolarHBondContact O-CB 3.42Å; A245-L249 PolarHBondContact O-N 2.86Å
246L98.1Very high95.7Very high2 Ų213.2 Ų13.21%0.017%0.065CC..Hα-helixtrans-66.1-43.9173.7-70.3172.8000112.1V230 L242 G243 G248 L249 C250 K325 E328 A329 Y332V230-L246 HydrophobicContact CG1-CD2 4.17Å; V230-L246 HydrophobicContact CG2-CD2 3.77Å; V230-L246 HydrophobicContact CG2-CG 4.11Å; L242-L246 HydrophobicContact CD1-CD1 4.46Å; L242-L246 HydrophobicContact CD1-CG 4.44Å; L242-L246 HydrophobicContact CG-CD1 4.31Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å; L242-L246 PolarHBondContact O-N 3.12Å; G243-L246 PolarHBondContact O-N 2.78Å; L246-G248 VanDerWaalsContact C-N 3.34Å; L246-G248 PolarHBondContact O-N 3.14Å; L246-L249 WeakPolarHBondContact O-CB 3.44Å; L246-L249 PolarHBondContact O-N 2.86Å; L246-C250 PolarHBondContact O-N 2.85Å; L246-C250 PolarHBondContact O-SG 2.87Å; L246-K325 HydrophobicContact CD2-CD 4.01Å; L246-E328 HydrophobicContact CD1-CB 4.02Å; L246-E328 VanDerWaalsContact CD1-CD 3.44Å; L246-E328 HydrophobicContact CD1-CG 3.59Å; L246-A329 HydrophobicContact CB-CB 4.02Å; L246-Y332 HydrophobicContact CD1-CD2 4.13Å; L246-Y332 HydrophobicContact CD1-CE2 3.87Å
247E97.6Very high95.6Very high1 Ų116.3 Ų16.31%0.0058%0.079CC..Hα-helixtrans-61-42.5175.3-171-169.9162.700111.7H13 Q72 G243 C250 S251 Y326 Y333 K349H13-E247 IonicContact CE1-OE1 2.79Å; H13-E247 PolarHBondContact CE1-OE1 3.37Å; H13-E247 IonicContact NE2-OE1 3.54Å; H13-E247 PolarHBondContact NE2-OE1 3.13Å; Q72-E247 PolarHBondContact NE2-OE2 2.57Å; G243-E247 WeakPolarHBondContact O-CB 3.49Å; G243-E247 PolarHBondContact O-N 2.9Å; E247-C250 PolarHBondContact O-N 2.99Å; E247-S251 WeakPolarHBondContact O-CB 3.37Å; E247-S251 PolarHBondContact O-N 2.9Å; E247-S251 PolarHBondContact O-OG 2.89Å; E247-Y326 HydrophobicContact CG-CE1 4.01Å; E247-Y333 PolarHBondContact OE2-OH 3.15Å; E247-K349 WeakPolarHBondContact OE1-CE 3.32Å; E247-K349 IonicContact OE1-NZ 2.75Å; E247-K349 PolarHBondContact OE1-NZ 2.8Å
248G96.9Very high95.4Very high0 Ų013.3 Ų13.30%06%0.06CC..Hα-helixtrans-63.3-43.517500000112.3Y226 A244 A245 L246 C250 S251 A252Y226-G248 VanDerWaalsContact CE2-C 3.49Å; Y226-G248 WeakPolarHBondContact CE2-O 3.15Å; A244-G248 PolarHBondContact O-N 2.83Å; A245-G248 PolarHBondContact O-N 3.09Å; L246-G248 VanDerWaalsContact C-N 3.34Å; L246-G248 PolarHBondContact O-N 3.14Å; G248-C250 PolarHBondContact O-N 3.36Å; G248-S251 PolarHBondContact O-N 3.43Å; G248-A252 WeakPolarHBondContact O-CB 3.38Å; G248-A252 PolarHBondContact O-N 3Å
249L96.6Very high94.7Very high3 Ų318.7 Ų18.72%0.01610%0.095CC..Hα-helixtrans-60.8-44.5174.7-17761.8000112.2L223 Y226 A245 L246 S253 L317L223-L249 HydrophobicContact CD2-CD1 3.74Å; Y226-L249 HydrophobicContact CG-CB 4.41Å; A245-L249 WeakPolarHBondContact O-CB 3.42Å; A245-L249 PolarHBondContact O-N 2.86Å; L246-L249 WeakPolarHBondContact O-CB 3.44Å; L246-L249 PolarHBondContact O-N 2.86Å; L249-S253 WeakPolarHBondContact O-CB 3.33Å; L249-S253 PolarHBondContact O-N 2.9Å; L249-S253 PolarHBondContact O-OG 3.3Å; L249-L317 HydrophobicContact CD2-CD1 3.97Å; L249-L317 HydrophobicContact CD2-CD2 4.07Å; L249-L317 HydrophobicContact CD2-CG 4.1Å; L249-L317 HydrophobicContact CG-CD1 3.81Å; L249-L317 HydrophobicContact CG-CD2 4.5Å; L249-L317 HydrophobicContact CG-CG 3.99Å
250C97.1Very high93.8Very high0 Ų020 Ų200%012%0.124CC..Hα-helixtrans-60.2-47.6173.4-71.50000110.9L246 E247 G248 A252 S253 V254 I322 K325 Y326L246-C250 PolarHBondContact O-N 2.85Å; L246-C250 PolarHBondContact O-SG 2.87Å; E247-C250 PolarHBondContact O-N 2.99Å; G248-C250 PolarHBondContact O-N 3.36Å; C250-A252 PolarHBondContact O-N 3.08Å; C250-S253 CarbonylContact O-C 3.19Å; C250-S253 PolarHBondContact O-N 2.66Å; C250-S253 VanDerWaalsContact O-N 3.16Å; C250-V254 VanDerWaalsContact O-CG2 3.25Å; C250-V254 WeakPolarHBondContact O-CG2 3.1Å; C250-V254 PolarHBondContact O-N 3.3Å; C250-I322 HydrophobicContact CB-CG2 4.22Å; C250-I322 PolarHBondContact SG-O 3.05Å; C250-K325 WeakPolarHBondContact SG-CB 3.45Å; C250-Y326 HydrophobicContact CB-CD1 4.35Å; C250-Y326 HydrophobicContact CB-CD2 3.88Å; C250-Y326 HydrophobicContact CB-CE1 3.97Å; C250-Y326 HydrophobicContact CB-CE2 3.46Å; C250-Y326 VanDerWaalsContact CB-CE2 3.46Å; C250-Y326 HydrophobicContact CB-CG 4.3Å; C250-Y326 VanDerWaalsContact CB-CZ 3.49Å
251S96Very high93.1Very high0 Ų021.1 Ų21.10%014%0.135CC..Hα-helixtrans-64.4-43.4-176.2-56.60000111.9H13 E247 G248 S253 V254 I255 Y326H13-S251 PolarHBondContact CD2-OG 2.83Å; H13-S251 PolarHBondContact NE2-OG 3.44Å; E247-S251 WeakPolarHBondContact O-CB 3.37Å; E247-S251 PolarHBondContact O-N 2.9Å; E247-S251 PolarHBondContact O-OG 2.89Å; G248-S251 PolarHBondContact O-N 3.43Å; S251-S253 PolarHBondContact O-N 2.87Å; S251-V254 PolarHBondContact O-N 2.9Å; S251-I255 WeakPolarHBondContact O-CD1 3.25Å; S251-I255 VanDerWaalsContact O-CG1 3.29Å; S251-I255 WeakPolarHBondContact O-CG1 3.35Å; S251-I255 PolarHBondContact O-N 2.61Å; S251-Y326 PolarHBondContact OG-OH 3.27Å
252A95Very high92.3Very high0 Ų021.1 Ų21.10%014%0.136CC..Hα-helixtrans-60.6-42.9171.900000112L214 L219 L223 Y226 G248 C250 V254 I255 F256L214-A252 HydrophobicContact CD1-CB 4.22Å; L214-A252 HydrophobicContact CD2-CB 4.32Å; L219-A252 HydrophobicContact CD1-CB 3.87Å; L219-A252 WeakPolarHBondContact CD1-O 3.46Å; L223-A252 HydrophobicContact CD2-CB 3.6Å; L223-A252 HydrophobicContact CG-CB 4.18Å; Y226-A252 HydrophobicContact CD2-CB 4.4Å; Y226-A252 HydrophobicContact CE2-CB 4.23Å; G248-A252 WeakPolarHBondContact O-CB 3.38Å; G248-A252 PolarHBondContact O-N 3Å; C250-A252 PolarHBondContact O-N 3.08Å; A252-V254 VanDerWaalsContact C-N 3.33Å; A252-V254 PolarHBondContact O-N 3.36Å; A252-I255 PolarHBondContact O-N 2.9Å; A252-F256 PolarHBondContact O-N 2.71Å
253S95.3Very high90.7Very high0 Ų023.6 Ų23.60%016%0.156CC..Hα-helixtrans-66.9-34.4177.5-56.50000112.3L249 C250 S251 F256 H257 L317L249-S253 WeakPolarHBondContact O-CB 3.33Å; L249-S253 PolarHBondContact O-N 2.9Å; L249-S253 PolarHBondContact O-OG 3.3Å; C250-S253 CarbonylContact O-C 3.19Å; C250-S253 PolarHBondContact O-N 2.66Å; C250-S253 VanDerWaalsContact O-N 3.16Å; S251-S253 PolarHBondContact O-N 2.87Å; S253-F256 WeakPolarHBondContact O-CB 3.45Å; S253-F256 PolarHBondContact O-N 3.18Å; S253-H257 PolarHBondContact O-CD2 3.08Å; S253-H257 PolarHBondContact O-N 2.75Å; S253-L317 PolarHBondContact OG-N 2.91Å; S253-L317 VanDerWaalsContact OG-N 3.1Å
254V94.6Very high88.8Confident0 Ų025.4 Ų25.40%017%0.174CC..Hα-helixtrans-65.9-46.1174168.50000110.9A10 C250 S251 A252 F256 H257 Y258 T262 I322 V353A10-V254 HydrophobicContact CB-CB 3.83Å; A10-V254 HydrophobicContact CB-CG1 3.52Å; A10-V254 HydrophobicContact CB-CG2 4.29Å; C250-V254 VanDerWaalsContact O-CG2 3.25Å; C250-V254 WeakPolarHBondContact O-CG2 3.1Å; C250-V254 PolarHBondContact O-N 3.3Å; S251-V254 PolarHBondContact O-N 2.9Å; A252-V254 VanDerWaalsContact C-N 3.33Å; A252-V254 PolarHBondContact O-N 3.36Å; V254-F256 PolarHBondContact O-N 3.41Å; V254-H257 PolarHBondContact O-N 3.38Å; V254-Y258 HydrophobicContact CB-CD2 4.44Å; V254-Y258 HydrophobicContact CG1-CD2 4.02Å; V254-Y258 WeakPolarHBondContact O-CA 3.38Å; V254-Y258 WeakPolarHBondContact O-CB 3.36Å; V254-Y258 WeakPolarHBondContact O-CD2 3.39Å; V254-Y258 PolarHBondContact O-N 3.3Å; V254-T262 HydrophobicContact CG1-CG2 3.45Å; V254-T262 VanDerWaalsContact CG1-CG2 3.45Å; V254-I322 HydrophobicContact CG2-CD1 4.11Å; V254-I322 HydrophobicContact CG2-CG2 3.83Å; V254-V353 HydrophobicContact CG1-CG2 4.12Å; V254-V353 HydrophobicContact CG2-CG1 4.2Å; V254-V353 HydrophobicContact CG2-CG2 3.55Å
255I92.6Very high86.4Confident19 Ų1935.9 Ų35.910%0.09722%0.22CC..Hα-helixtrans-58.8-37.7176.2-68.6159.4000110.8E11 Q14 L214 L219 S251 A252E11-I255 HydrophobicContact CG-CG1 4.29Å; Q14-I255 HydrophobicContact CB-CD1 3.88Å; Q14-I255 HydrophobicContact CG-CD1 3.71Å; Q14-I255 HydrophobicContact CG-CG1 4.47Å; L214-I255 HydrophobicContact CD1-CD1 3.98Å; L214-I255 HydrophobicContact CD2-CD1 4.2Å; L214-I255 HydrophobicContact CG-CD1 4.39Å; L219-I255 HydrophobicContact CD1-CB 4.49Å; L219-I255 HydrophobicContact CD1-CG2 4.35Å; L219-I255 HydrophobicContact CD2-CG2 4.41Å; S251-I255 WeakPolarHBondContact O-CD1 3.25Å; S251-I255 VanDerWaalsContact O-CG1 3.29Å; S251-I255 WeakPolarHBondContact O-CG1 3.35Å; S251-I255 PolarHBondContact O-N 2.61Å; A252-I255 PolarHBondContact O-N 2.9Å
256F90.9Very high83.4Confident79 Ų7942.1 Ų42.135%0.34625%0.251SS..Hα-helixtrans-65.6-52175.8-177.6-97.1000112.9L219 A252 S253 V254 C316L219-F256 HydrophobicContact CD2-CB 3.99Å; L219-F256 HydrophobicContact CD2-CD2 4.06Å; A252-F256 PolarHBondContact O-N 2.71Å; S253-F256 WeakPolarHBondContact O-CB 3.45Å; S253-F256 PolarHBondContact O-N 3.18Å; V254-F256 PolarHBondContact O-N 3.41Å; F256-C316 HydrophobicContact CD1-CB 4.24Å; F256-C316 WeakPolarHBondContact CD1-SG 3.13Å
257H89.9Confident80.2Confident69 Ų6947.2 Ų47.232%0.31929%0.293SS..Hα-helixtrans-79.2-28.9-174.2-75.3-66000114S253 V254 P259 C316 L317S253-H257 PolarHBondContact O-CD2 3.08Å; S253-H257 PolarHBondContact O-N 2.75Å; V254-H257 PolarHBondContact O-N 3.38Å; H257-P259 VanDerWaalsContact C-CD 3.44Å; H257-P259 WeakPolarHBondContact O-CD 3.36Å; H257-C316 PolarHBondContact NE2-SG 2.98Å; H257-C316 VanDerWaalsContact NE2-SG 3.44Å; H257-L317 PolarHBondContact CD2-O 3.35Å; H257-L317 PolarHBondContact NE2-O 3.1Å
258Y90.4Very high76.9Confident44 Ų4451.6 Ų51.617%0.17333%0.329CS..  trans-12666.5-173.4-49.8-74.2000110.9V254 G260 G261 V353 I356 Q357V254-Y258 HydrophobicContact CB-CD2 4.44Å; V254-Y258 HydrophobicContact CG1-CD2 4.02Å; V254-Y258 WeakPolarHBondContact O-CA 3.38Å; V254-Y258 WeakPolarHBondContact O-CB 3.36Å; V254-Y258 WeakPolarHBondContact O-CD2 3.39Å; V254-Y258 PolarHBondContact O-N 3.3Å; Y258-G260 PolarHBondContact O-N 3.18Å; Y258-G261 PolarHBondContact O-N 3.03Å; Y258-V353 HydrophobicContact CE2-CG1 4.4Å; Y258-I356 HydrophobicContact CD1-CG2 3.56Å; Y258-I356 HydrophobicContact CE1-CG2 3.7Å; Y258-I356 HydrophobicContact CG-CG2 4.34Å; Y258-Q357 VanDerWaalsContact OH-CG 3.3Å; Y258-Q357 WeakPolarHBondContact OH-CG 3.45Å; Y258-Q357 PolarHBondContact OH-NE2 2.92Å
259P80.3Confident74.2Confident118 Ų11862.6 Ų62.677%0.76637%0.371SS*.THydrogen-bonded Turntrans-63.6-15.9-177.526.8-36000113.7H257 G261H257-P259 VanDerWaalsContact C-CD 3.44Å; H257-P259 WeakPolarHBondContact O-CD 3.36Å; P259-G261 PolarHBondContact O-N 3.43Å
260G75.3Confident70.8Confident83 Ų8371.8 Ų71.886%0.85641%0.411SS*.THydrogen-bonded Turntrans-76.6-4.9171.700000114.8Y258Y258-G260 PolarHBondContact O-N 3.18Å
261G81.3Confident67.7Low24 Ų2476.9 Ų76.925%0.24744%0.444CS..  trans83164.4175.800000115.4E11 Y258 P259 I356E11-G261 WeakPolarHBondContact OE1-CA 3.1Å; Y258-G261 PolarHBondContact O-N 3.03Å; P259-G261 PolarHBondContact O-N 3.43Å; G261-I356 VanDerWaalsContact O-CD1 3.26Å; G261-I356 WeakPolarHBondContact O-CD1 3.32Å
262T80.2Confident64.5Low1 Ų182.4 Ų82.41%0.00648%0.482CS..SBendtrans-100.5-3.5-177.460.40000115.6C9 E11 V254 G264 V353 I356C9-T262 WeakPolarHBondContact CB-OG1 3.43Å; E11-T262 VanDerWaalsContact CD-N 3.34Å; E11-T262 WeakPolarHBondContact OE1-CB 3.33Å; E11-T262 WeakPolarHBondContact OE1-CG2 3.44Å; E11-T262 PolarHBondContact OE1-N 3.3Å; E11-T262 PolarHBondContact OE1-OG1 3.2Å; E11-T262 VanDerWaalsContact OE1-OG1 3.11Å; E11-T262 PolarHBondContact OE2-N 3.34Å; E11-T262 PolarHBondContact OE2-OG1 3.18Å; V254-T262 HydrophobicContact CG1-CG2 3.45Å; V254-T262 VanDerWaalsContact CG1-CG2 3.45Å; T262-G264 PolarHBondContact O-N 2.88Å; T262-V353 HydrophobicContact CG2-CG2 4.03Å; T262-I356 VanDerWaalsContact CA-CD1 3.48Å; T262-I356 HydrophobicContact CG2-CD1 3.86Å
263A64.3Low61.5Low51 Ų5189.5 Ų89.542%0.42152%0.519SS..SBendtrans-73.97.7-171.300000116.2
264G57.6Low58.3Low38 Ų3895 Ų9539%0.39256%0.558SS.*  trans66.1178.2-175.100000113.3T262 M266T262-G264 PolarHBondContact O-N 2.88Å; G264-M266 PolarHBondContact O-N 2.92Å
265K47.1Very low55.1Low222 Ų222103.3 Ų103.397%0.96560%0.596SS**SBendtrans-7560.1178-70.4-175.9179.4177.90111.9A267K265-A267 PolarHBondContact O-N 2.9Å
266M34Very low52Low130 Ų130108.5 Ų108.564%0.6463%0.631SS**SBendtrans-86.998.3160.2-82.7176.156.800108M7 G264 A268M7-M266 HydrophobicContact CE-CE 3.88Å; M7-M266 HydrophobicContact CE-SD 3.65Å; G264-M266 PolarHBondContact O-N 2.92Å; M266-A268 VanDerWaalsContact C-N 3.28Å; M266-A268 PolarHBondContact O-N 2.83Å
267A32.1Very low49Very low109 Ų109109.8 Ų109.890%0.90166%0.656SS**  trans16.659.6165.600000117K265 R269K265-A267 PolarHBondContact O-N 2.9Å; A267-R269 PolarHBondContact O-N 3.5Å
268A28.7Very low46.2Very low93 Ų93113.9 Ų113.977%0.76968%0.681SS**  trans-86.9112.6168.700000107.7M266 K270M266-A268 VanDerWaalsContact C-N 3.28Å; M266-A268 PolarHBondContact O-N 2.83Å; A268-K270 PolarHBondContact O-N 2.73Å
269R38.8Very low43.3Very low232 Ų232116.7 Ų116.788%0.87571%0.713SS**PPolyproline II helixtrans-49134.1164-76.1175.1171.3172.4-4.1108.4A267A267-R269 PolarHBondContact O-N 3.5Å
270K26.3Very low41Very low195 Ų195113.8 Ų113.885%0.84870%0.704SS**PPolyproline II helixtrans-49.2125.8176.8-68.1179177179.10109.9A268 S272A268-K270 PolarHBondContact O-N 2.73Å; K270-S272 PolarHBondContact O-N 2.92Å
271P31Very low38.9Very low108 Ų108119.5 Ų119.570%0.70171%0.706SS**PPolyproline II helixtrans-67.9116.2159.726-27.7000107.6I273P271-I273 PolarHBondContact O-N 3.27Å; P271-I273 VanDerWaalsContact O-N 3.15Å
272S29.7Very low36.5Very low115 Ų115130 Ų13080%0.80474%0.738SS**  trans-79.386.9172.358.90000109.3K270K270-S272 PolarHBondContact O-N 2.92Å
273I30.6Very low34Very low149 Ų149139.3 Ų139.376%0.76478%0.781SS**  trans-137.2109.2159.2-60.1-178.6000108.3P271P271-I273 PolarHBondContact O-N 3.27Å; P271-I273 VanDerWaalsContact O-N 3.15Å
274S29.8Very low32.2Very low117 Ų117148 Ų14882%0.81880%0.803SS**  trans-79.7103.7166.948.70000109.7
275Q26.6Very low30.9Very low173 Ų173152.6 Ų152.681%0.80883%0.826SS**  trans-145.4134.7149-75.8-165-14.300109.4A277Q275-A277 PolarHBondContact O-N 2.93Å
276P27.9Very low30.2Very low129 Ų129145.9 Ų145.984%0.83882%0.82SS**  trans-79.3119.7-176.430.7-30.3000110.4D278P276-D278 PolarHBondContact O-N 3.39Å
277A27.3Very low30Very low105 Ų105144.5 Ų144.587%0.86883%0.829SS**  trans-82.689.5163.300000108.7Q275 A279Q275-A277 PolarHBondContact O-N 2.93Å; A277-A279 PolarHBondContact O-N 3.06Å
278D30.6Very low29.8Very low156 Ų156148.2 Ų148.283%0.83483%0.828SS**  trans-8894.4163.8-166.217000108.6P276P276-D278 PolarHBondContact O-N 3.39Å
279A30.3Very low30Very low102 Ų102153 Ų15384%0.84383%0.834SS**  trans-154.356.7168.100000110A277A277-A279 PolarHBondContact O-N 3.06Å
280G32.4Very low29.5Very low57 Ų57148 Ų14859%0.58883%0.83SS**  trans-118.296.6169.100000110.3
281K31.4Very low29.8Very low204 Ų204146.5 Ų146.589%0.88783%0.83SS**  trans173.8135.8142.3-96.8156.9-169.3179.10113.4
282R29.4Very low30Very low243 Ų243147.7 Ų147.792%0.91783%0.829SS**  trans96.184.7161.7-58.2176.9-175.9-175.21.5117
283H29.2Very low30Very low198 Ų198148.4 Ų148.492%0.91782%0.823SS**PPolyproline II helixtrans-78121.8142.5-100.1-73.5000109.1
284R26.7Very low30.2Very low232 Ų232145.6 Ų145.688%0.87582%0.815SS**PPolyproline II helixtrans-93.4137.1154.4-99.3-177.2-178.8169.10107.4
285P28.4Very low30.5Very low135 Ų135143 Ų14388%0.87781%0.807SS**SBendtrans-81.8121.4171.530.6-26.6000109.1
286G33.7Very low30.7Very low82 Ų82138.8 Ų138.885%0.84580%0.802SS**  trans14664.8178.800000112.9
287A29.6Very low31.3Very low101 Ų101139 Ų13984%0.83580%0.795SS**  trans-140.2113.2160.600000107.6
288Q28.1Very low31.6Very low186 Ų186139.3 Ų139.387%0.86979%0.786SS**  trans-66.5130.4179.5-160.6151.9-12.400109V290Q288-V290 PolarHBondContact O-N 2.85Å
289E32.3Very low31.8Very low193 Ų193136.3 Ų136.390%0.90278%0.783SS**  trans-56.1110.3170.4-76.6179.2147.500109.1
290V28.9Very low32Very low129 Ų129138.1 Ų138.178%0.78278%0.779SS**  trans-99.8106.3166.4-178.90000106.4Q288 I292Q288-V290 PolarHBondContact O-N 2.85Å; V290-I292 PolarHBondContact O-N 2.83Å
291L32.7Very low32.2Very low163 Ų163138.2 Ų138.285%0.85378%0.78SS**PPolyproline II helixtrans-46.1127.9164.9-78.7146.8000109.5D293L291-D293 PolarHBondContact O-N 3.07Å
292I35.4Very low32.5Very low133 Ų133135.2 Ų135.268%0.68277%0.772SS**PPolyproline II helixtrans-69.7122.8165.7-61.4175.6000106.8V290 P294V290-I292 PolarHBondContact O-N 2.83Å; I292-P294 WeakPolarHBondContact O-CD 3.27Å
293D29.1Very low32.6Very low129 Ų129127.1 Ų127.169%0.6975%0.753SS**PPolyproline II helixtrans-67116.7170.3-158.5-7.8000108.5L291 G295L291-D293 PolarHBondContact O-N 3.07Å; D293-G295 PolarHBondContact O-N 3.36Å
294P34.9Very low33Very low91 Ų91121.8 Ų121.859%0.59174%0.743SS**G310 helixtrans-64.7-3.4-173.1-20.431.9000114.7I292I292-P294 WeakPolarHBondContact O-CD 3.27Å
295G35.1Very low33.3Very low63 Ų63117.9 Ų117.965%0.64974%0.739SS**G310 helixtrans-79.2-9.2-178.400000116.1D293D293-G295 PolarHBondContact O-N 3.36Å
296A32.3Very low33.6Very low84 Ų84117 Ų11769%0.69473%0.732SS**G310 helixtrans-94.2-5.2-173.700000115.4T298A296-T298 PolarHBondContact O-N 3.19Å
297L39.1Very low33.8Very low134 Ų134116.9 Ų116.970%0.70272%0.718SS**  trans-93.870.4174.1-68.9170000110.1
298T34.2Very low34Very low110 Ų110117.1 Ų117.168%0.67571%0.709SS**  trans-74155.3169.455.30000111.1A296 N300A296-T298 PolarHBondContact O-N 3.19Å; T298-N300 PolarHBondContact O-N 3.24Å
299A35.1Very low34.3Very low94 Ų94116.4 Ų116.478%0.77771%0.706SS**SBendtrans-61.617.8-165.800000118
300N33.7Very low34.5Very low139 Ų139115.1 Ų115.174%0.74370%0.703SS**SBendtrans-101.2134.5178.7-73-16.8000110.8T298T298-N300 PolarHBondContact O-N 3.24Å
301G36.7Very low35.4Very low59 Ų59110.8 Ų110.861%0.60869%0.685SS**  trans-57.8147.8-167.300000113.4S303G301-S303 PolarHBondContact O-N 3.04Å
302I38.5Very low35.9Very low141 Ų141110.5 Ų110.572%0.72367%0.672SS**  trans-62.6114.5167.8-59.2171.8000106.7
303S31.7Very low36.8Very low74 Ų74107.5 Ų107.552%0.51767%0.667SS.*  trans-69.8140.4170.860.60000109.8G301 D305 T306G301-S303 PolarHBondContact O-N 3.04Å; S303-D305 PolarHBondContact O-N 3.29Å; S303-T306 PolarHBondContact OG-OG1 3.13Å
304A36.7Very low38.4Very low86 Ų86109.2 Ų109.271%0.71167%0.669SS**THydrogen-bonded Turntrans-61.8-14.3-177.300000115.1S307A304-S307 PolarHBondContact O-OG 3.19Å
305D34.3Very low40.3Very low150 Ų150107.3 Ų107.380%0.80265%0.653SS**THydrogen-bonded Turntrans-99.814.7-169.1-72.2-22.7000116.1S303S303-D305 PolarHBondContact O-N 3.29Å
306T33.8Very low42.8Very low116 Ų116105.2 Ų105.271%0.71263%0.629SS**  trans-107.622.3174.5-7.30000113.6S303S303-T306 PolarHBondContact OG-OG1 3.13Å
307S38.6Very low45.7Very low79 Ų79102 Ų10255%0.55260%0.6SS**  trans-94.95.8-173.461.50000115.1A304 R312A304-S307 PolarHBondContact O-OG 3.19Å; S307-R312 PolarHBondContact O-NH2 3.29Å
308T33.3Very low48.2Very low107 Ų10797.4 Ų97.466%0.65658%0.579SS**SBendtrans-101.7104.1-179.850.90000112.1
309E34.8Very low50.8Low171 Ų17193.8 Ų93.880%0.79956%0.557SS**SBendtrans94.2-7.4144.2-61.7-168.9149.900122.5
310I36.6Very low53.4Low166 Ų16694.8 Ų94.885%0.85155%0.546SS*.SBendtrans-139.389173.2-51.3177.2000111.6
311G46Very low56.2Low38 Ų3891.8 Ų91.839%0.39253%0.53SS..  trans152.51169.600000119.3A313 K314G311-A313 PolarHBondContact O-N 3.28Å; G311-K314 PolarHBondContact O-N 2.9Å; G311-K314 VanDerWaalsContact O-N 3.12Å
312R45.2Very low59Low156 Ų15689 Ų8959%0.58950%0.501SS*.THydrogen-bonded Turntrans-62.9-9.9-171.4-67.7-178.4-179156.41.4116.5Q220 S307Q220-R312 PolarHBondContact NE2-O 2.9Å; Q220-R312 PolarHBondContact OE1-O 3.43Å; S307-R312 PolarHBondContact O-NH2 3.29Å
313A53.2Low61.7Low70 Ų7082.3 Ų82.358%0.57947%0.467SS*.THydrogen-bonded Turntrans-108.9-5.1178.700000114.2G311 N315G311-A313 PolarHBondContact O-N 3.28Å; A313-N315 VanDerWaalsContact C-N 3.35Å; A313-N315 PolarHBondContact O-N 2.93Å
314K62.3Low64.8Low166 Ų16683.2 Ų83.272%0.72246%0.463SS*.THydrogen-bonded Turntrans-72.6-22.8-168.3-75.8-173.9175.4-1790114.9G311G311-K314 PolarHBondContact O-N 2.9Å; G311-K314 VanDerWaalsContact O-N 3.12Å
315N74.7Confident67.6Low50 Ų5082 Ų8227%0.26744%0.441SS..THydrogen-bonded Turntrans-103.8-6.5-176.1-62.2-25.6000113.6L223 V224 H227 A313L223-N315 HydrophobicContact CB-CB 4.21Å; V224-N315 WeakPolarHBondContact CG2-ND2 3.46Å; H227-N315 PolarHBondContact NE2-O 2.98Å; A313-N315 VanDerWaalsContact C-N 3.35Å; A313-N315 PolarHBondContact O-N 2.93Å
316C88.6Confident70.6Confident20 Ų2074.8 Ų74.814%0.13540%0.403CS..SBendtrans-81.7137.3177.9-172.90000109.9L223 F256 H257L223-C316 HydrophobicContact CD1-CB 4.12Å; F256-C316 HydrophobicContact CD1-CB 4.24Å; F256-C316 WeakPolarHBondContact CD1-SG 3.13Å; H257-C316 PolarHBondContact NE2-SG 2.98Å; H257-C316 VanDerWaalsContact NE2-SG 3.44Å
317L92.5Very high73.6Confident17 Ų1772.6 Ų72.69%0.08938%0.384CS..PPolyproline II helixtrans-66.9147.7173.3-63.7177.9000110.5L249 S253 H257 D321 I322 K325L249-L317 HydrophobicContact CD2-CD1 3.97Å; L249-L317 HydrophobicContact CD2-CD2 4.07Å; L249-L317 HydrophobicContact CD2-CG 4.1Å; L249-L317 HydrophobicContact CG-CD1 3.81Å; L249-L317 HydrophobicContact CG-CD2 4.5Å; L249-L317 HydrophobicContact CG-CG 3.99Å; S253-L317 PolarHBondContact OG-N 2.91Å; S253-L317 VanDerWaalsContact OG-N 3.1Å; H257-L317 PolarHBondContact CD2-O 3.35Å; H257-L317 PolarHBondContact NE2-O 3.1Å; L317-D321 HydrophobicContact CB-CB 4.12Å; L317-D321 HydrophobicContact CD2-CB 4.21Å; L317-I322 HydrophobicContact CB-CG1 3.75Å; L317-I322 HydrophobicContact CD1-CG1 4.34Å; L317-K325 HydrophobicContact CD1-CB 4.01Å; L317-K325 HydrophobicContact CD1-CG 3.74Å; L317-K325 HydrophobicContact CD2-CG 4.34Å
318S91.7Very high76.3Confident37 Ų3770.8 Ų70.826%0.25937%0.366SS..PPolyproline II helixtrans-68.3157.8167.572.40000110.7E320 D321 I322S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.16Å; S318-D321 WeakPolarHBondContact CB-OD2 3.4Å; S318-D321 PolarHBondContact O-N 2.8Å; S318-D321 VanDerWaalsContact O-N 3.12Å; S318-D321 WeakPolarHBondContact OG-CB 3.49Å; S318-D321 PolarHBondContact OG-N 2.92Å; S318-D321 VanDerWaalsContact OG-N 3.15Å; S318-D321 PolarHBondContact OG-OD2 2.94Å; S318-I322 VanDerWaalsContact O-CG1 3.32Å; S318-I322 WeakPolarHBondContact O-CG1 3.32Å; S318-I322 PolarHBondContact O-N 2.84Å
319P90Very high79.4Confident34 Ų3465.7 Ų65.722%0.22134%0.335CS..Hα-helixtrans-49.8-36.9174.5-31.438.8000114.6Q357P319-Q357 PolarHBondContact O-NE2 2.88Å
320E88.4Confident82.3Confident115 Ų11558.3 Ų58.354%0.53730%0.301SS..Hα-helixtrans-72-46.4177.9-66.269.9-154.300111.4S318 I322 I323 E324S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.16Å; E320-I322 VanDerWaalsContact C-N 3.28Å; E320-I322 PolarHBondContact O-N 2.86Å; E320-I323 PolarHBondContact O-N 3.06Å; E320-I323 VanDerWaalsContact O-N 3.13Å; E320-E324 PolarHBondContact O-N 3.17Å
321D93.5Very high85.1Confident76 Ų7654 Ų5441%0.40629%0.285SS..Hα-helixtrans-64-33.5179.9-65.7-41.3000112.3L317 S318 I323 E324 K325L317-D321 HydrophobicContact CB-CB 4.12Å; L317-D321 HydrophobicContact CD2-CB 4.21Å; S318-D321 WeakPolarHBondContact CB-OD2 3.4Å; S318-D321 PolarHBondContact O-N 2.8Å; S318-D321 VanDerWaalsContact O-N 3.12Å; S318-D321 WeakPolarHBondContact OG-CB 3.49Å; S318-D321 PolarHBondContact OG-N 2.92Å; S318-D321 VanDerWaalsContact OG-N 3.15Å; S318-D321 PolarHBondContact OG-OD2 2.94Å; D321-I323 PolarHBondContact O-N 3.3Å; D321-E324 PolarHBondContact O-N 3.06Å; D321-K325 WeakPolarHBondContact O-CB 3.46Å; D321-K325 VanDerWaalsContact O-CG 3.29Å; D321-K325 WeakPolarHBondContact O-CG 3.48Å; D321-K325 PolarHBondContact O-N 3.07Å
322I95.2Very high87.5Confident0 Ų053.8 Ų53.80%027%0.273CS..Hα-helixtrans-52.9-42.5175.2-71.2168.6000110.5C250 V254 L317 S318 E320 Y326 V353C250-I322 HydrophobicContact CB-CG2 4.22Å; C250-I322 PolarHBondContact SG-O 3.05Å; V254-I322 HydrophobicContact CG2-CD1 4.11Å; V254-I322 HydrophobicContact CG2-CG2 3.83Å; L317-I322 HydrophobicContact CB-CG1 3.75Å; L317-I322 HydrophobicContact CD1-CG1 4.34Å; S318-I322 VanDerWaalsContact O-CG1 3.32Å; S318-I322 WeakPolarHBondContact O-CG1 3.32Å; S318-I322 PolarHBondContact O-N 2.84Å; E320-I322 VanDerWaalsContact C-N 3.28Å; E320-I322 PolarHBondContact O-N 2.86Å; I322-Y326 HydrophobicContact CG2-CD2 3.76Å; I322-Y326 HydrophobicContact CG2-CE2 3.71Å; I322-Y326 VanDerWaalsContact O-CD2 3.24Å; I322-Y326 WeakPolarHBondContact O-CD2 3.32Å; I322-Y326 PolarHBondContact O-N 2.95Å; I322-V353 HydrophobicContact CG2-CG1 4.16Å
323I95.4Very high89.9Confident0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-72.6-43-178-57.1-51.9000110.9E320 D321 K325 Y326 K327 V353 L354 F366E320-I323 PolarHBondContact O-N 3.06Å; E320-I323 VanDerWaalsContact O-N 3.13Å; D321-I323 PolarHBondContact O-N 3.3Å; I323-K325 VanDerWaalsContact C-N 3.3Å; I323-K325 PolarHBondContact O-N 3.22Å; I323-Y326 PolarHBondContact O-N 3.32Å; I323-K327 WeakPolarHBondContact O-CG 3.49Å; I323-K327 PolarHBondContact O-N 2.86Å; I323-V353 HydrophobicContact CD1-CB 4.26Å; I323-V353 HydrophobicContact CD1-CG1 3.84Å; I323-L354 HydrophobicContact CD1-CD1 4.36Å; I323-L354 HydrophobicContact CD1-CD2 3.73Å; I323-L354 HydrophobicContact CD1-CG 3.64Å; I323-L354 HydrophobicContact CG1-CD2 3.72Å; I323-L354 HydrophobicContact CG1-CG 4.21Å; I323-L354 HydrophobicContact CG2-CD1 4.4Å; I323-L354 HydrophobicContact CG2-CD2 4.07Å; I323-F366 HydrophobicContact CG2-CE2 4.04Å; I323-F366 HydrophobicContact CG2-CZ 4.25Å
324E95.3Very high91.8Very high94 Ų9445 Ų4544%0.43924%0.238SC..Hα-helixtrans-62-38.8176.1-67.4-54.5126.700111.9E320 D321 K327 E328E320-E324 PolarHBondContact O-N 3.17Å; D321-E324 PolarHBondContact O-N 3.06Å; E324-K327 WeakPolarHBondContact O-CB 3.35Å; E324-K327 PolarHBondContact O-N 2.92Å; E324-K327 IonicContact OE1-NZ 4Å; E324-K327 PolarHBondContact OE1-NZ 3.49Å; E324-E328 PolarHBondContact O-N 2.82Å
325K96.8Very high93.3Very high59 Ų5942.4 Ų42.426%0.25723%0.226SC..Hα-helixtrans-71.7-32.6175.2-63.2-49.4174.3-1760113.2L246 C250 L317 D321 I323 E328 A329L246-K325 HydrophobicContact CD2-CD 4.01Å; C250-K325 WeakPolarHBondContact SG-CB 3.45Å; L317-K325 HydrophobicContact CD1-CB 4.01Å; L317-K325 HydrophobicContact CD1-CG 3.74Å; L317-K325 HydrophobicContact CD2-CG 4.34Å; D321-K325 WeakPolarHBondContact O-CB 3.46Å; D321-K325 VanDerWaalsContact O-CG 3.29Å; D321-K325 WeakPolarHBondContact O-CG 3.48Å; D321-K325 PolarHBondContact O-N 3.07Å; I323-K325 VanDerWaalsContact C-N 3.3Å; I323-K325 PolarHBondContact O-N 3.22Å; K325-E328 WeakPolarHBondContact CD-OE2 3.26Å; K325-E328 IonicContact NZ-OE2 2.74Å; K325-E328 PolarHBondContact NZ-OE2 2.95Å; K325-E328 PolarHBondContact O-N 3.4Å; K325-A329 WeakPolarHBondContact O-CB 3.41Å; K325-A329 PolarHBondContact O-N 3.1Å
326Y96.9Very high94.1Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-64.1-42.3167.2-88.6-59.7000112E247 C250 S251 I322 I323 E328 A329 I330 K349 A350 V353E247-Y326 HydrophobicContact CG-CE1 4.01Å; C250-Y326 HydrophobicContact CB-CD1 4.35Å; C250-Y326 HydrophobicContact CB-CD2 3.88Å; C250-Y326 HydrophobicContact CB-CE1 3.97Å; C250-Y326 HydrophobicContact CB-CE2 3.46Å; C250-Y326 VanDerWaalsContact CB-CE2 3.46Å; C250-Y326 HydrophobicContact CB-CG 4.3Å; C250-Y326 VanDerWaalsContact CB-CZ 3.49Å; S251-Y326 PolarHBondContact OG-OH 3.27Å; I322-Y326 HydrophobicContact CG2-CD2 3.76Å; I322-Y326 HydrophobicContact CG2-CE2 3.71Å; I322-Y326 VanDerWaalsContact O-CD2 3.24Å; I322-Y326 WeakPolarHBondContact O-CD2 3.32Å; I322-Y326 PolarHBondContact O-N 2.95Å; I323-Y326 PolarHBondContact O-N 3.32Å; Y326-E328 VanDerWaalsContact C-N 3.33Å; Y326-E328 PolarHBondContact O-N 3.35Å; Y326-A329 PolarHBondContact O-N 2.85Å; Y326-I330 WeakPolarHBondContact O-CB 3.31Å; Y326-I330 WeakPolarHBondContact O-CD1 3.09Å; Y326-I330 VanDerWaalsContact O-CG1 3.27Å; Y326-I330 WeakPolarHBondContact O-CG1 3.37Å; Y326-I330 PolarHBondContact O-N 2.96Å; Y326-K349 HydrophobicContact CE1-CB 4.23Å; Y326-A350 HydrophobicContact CD1-CB 4.32Å; Y326-A350 HydrophobicContact CD2-CB 4.08Å; Y326-A350 HydrophobicContact CG-CB 3.87Å; Y326-V353 HydrophobicContact CE2-CG2 4.23Å
327K95.9Very high94Very high70 Ų7051.5 Ų51.530%0.30426%0.26SS..Hα-helixtrans-58.3-45.2174.4-68.2175.9-175162.50111.2I323 E324 S331 E362 F366I323-K327 WeakPolarHBondContact O-CG 3.49Å; I323-K327 PolarHBondContact O-N 2.86Å; E324-K327 WeakPolarHBondContact O-CB 3.35Å; E324-K327 PolarHBondContact O-N 2.92Å; E324-K327 IonicContact OE1-NZ 4Å; E324-K327 PolarHBondContact OE1-NZ 3.49Å; K327-S331 VanDerWaalsContact O-CB 3.31Å; K327-S331 WeakPolarHBondContact O-CB 3.43Å; K327-S331 PolarHBondContact O-N 3.28Å; K327-E362 IonicContact NZ-OE2 2.86Å; K327-F366 HydrophobicContact CD-CZ 4.46Å; K327-F366 HydrophobicContact CG-CE1 4.12Å; K327-F366 HydrophobicContact CG-CE2 4.36Å; K327-F366 HydrophobicContact CG-CZ 3.5Å; K327-F366 VanDerWaalsContact CG-CZ 3.5Å
328E96.6Very high93.8Very high40 Ų4055.7 Ų55.719%0.18728%0.283CS..Hα-helixtrans-60.6-48.4176.3-170.3-178.417000111R234 L246 E324 K325 Y326 S331 Y332R234-E328 IonicContact CZ-OE1 3.75Å; R234-E328 IonicContact NE-OE1 2.79Å; R234-E328 IonicContact NH2-OE1 2.76Å; R234-E328 PolarHBondContact NH2-OE1 2.81Å; R234-E328 IonicContact NH2-OE2 3.58Å; L246-E328 HydrophobicContact CD1-CB 4.02Å; L246-E328 VanDerWaalsContact CD1-CD 3.44Å; L246-E328 HydrophobicContact CD1-CG 3.59Å; E324-E328 PolarHBondContact O-N 2.82Å; K325-E328 WeakPolarHBondContact CD-OE2 3.26Å; K325-E328 IonicContact NZ-OE2 2.74Å; K325-E328 PolarHBondContact NZ-OE2 2.95Å; K325-E328 PolarHBondContact O-N 3.4Å; Y326-E328 VanDerWaalsContact C-N 3.33Å; Y326-E328 PolarHBondContact O-N 3.35Å; E328-S331 PolarHBondContact O-N 2.8Å; E328-Y332 HydrophobicContact CG-CD2 4.22Å; E328-Y332 HydrophobicContact CG-CE2 3.51Å; E328-Y332 WeakPolarHBondContact O-CD2 3.42Å; E328-Y332 PolarHBondContact O-N 2.84Å; E328-Y332 PolarHBondContact OE1-OH 2.74Å
329A97.3Very high93.7Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-60.7-48178.200000112.8G243 L246 K325 Y326 S331 Y332 Y333G243-A329 WeakPolarHBondContact O-CB 3.29Å; L246-A329 HydrophobicContact CB-CB 4.02Å; K325-A329 WeakPolarHBondContact O-CB 3.41Å; K325-A329 PolarHBondContact O-N 3.1Å; Y326-A329 PolarHBondContact O-N 2.85Å; A329-S331 VanDerWaalsContact C-N 3.35Å; A329-S331 PolarHBondContact O-N 2.79Å; A329-Y332 PolarHBondContact O-N 2.84Å; A329-Y332 VanDerWaalsContact O-N 3.15Å; A329-Y333 HydrophobicContact CB-CE2 4.46Å; A329-Y333 WeakPolarHBondContact O-CD2 3.31Å; A329-Y333 PolarHBondContact O-N 3.42Å
330I96.3Very high93.8Very high17 Ų1752.6 Ų52.69%0.08726%0.262CS..Hα-helixtrans-62.4-42.9178.6-71.6158.8000110.6Y326 Y332 Y333 G334 E343 A346 C347 A350 F366Y326-I330 WeakPolarHBondContact O-CB 3.31Å; Y326-I330 WeakPolarHBondContact O-CD1 3.09Å; Y326-I330 VanDerWaalsContact O-CG1 3.27Å; Y326-I330 WeakPolarHBondContact O-CG1 3.37Å; Y326-I330 PolarHBondContact O-N 2.96Å; I330-Y332 VanDerWaalsContact C-N 3.28Å; I330-Y332 PolarHBondContact O-N 3.16Å; I330-Y333 PolarHBondContact O-N 2.96Å; I330-G334 PolarHBondContact O-N 3.49Å; I330-E343 HydrophobicContact CG2-CG 3.94Å; I330-A346 HydrophobicContact CD1-CB 4.32Å; I330-A346 HydrophobicContact CG1-CB 3.72Å; I330-C347 HydrophobicContact CD1-CB 4.37Å; I330-A350 HydrophobicContact CD1-CB 4.41Å; I330-F366 HydrophobicContact CD1-CD1 3.87Å; I330-F366 HydrophobicContact CD1-CE1 3.49Å; I330-F366 VanDerWaalsContact CD1-CE1 3.49Å
331S95.9Very high94Very high74 Ų7447.5 Ų47.552%0.51724%0.239SC..Hα-helixtrans-59.7-38.2175-178.20000112.2K327 E328 A329K327-S331 VanDerWaalsContact O-CB 3.31Å; K327-S331 WeakPolarHBondContact O-CB 3.43Å; K327-S331 PolarHBondContact O-N 3.28Å; E328-S331 PolarHBondContact O-N 2.8Å; A329-S331 VanDerWaalsContact C-N 3.35Å; A329-S331 PolarHBondContact O-N 2.79Å
332Y96.4Very high93.9Very high35 Ų3543.9 Ų43.914%0.13722%0.22CC..Hα-helixtrans-70.3-37.9175.1-66.4-30.4000113.3F239 L242 L246 E328 A329 I330 K335 Y336F239-Y332 HydrophobicContact CB-CD1 4.15Å; F239-Y332 HydrophobicContact CB-CG 4.22Å; F239-Y332 AromaticContact CD1-CD1 3.74Å; F239-Y332 HydrophobicContact CD1-CD1 3.74Å; F239-Y332 AromaticContact CD1-CE1 3.58Å; F239-Y332 HydrophobicContact CD1-CE1 3.58Å; F239-Y332 HydrophobicContact CD1-CG 4.37Å; F239-Y332 HydrophobicContact CE1-CE1 4.04Å; F239-Y332 HydrophobicContact CG-CD1 4.23Å; F239-Y332 HydrophobicContact CG-CE1 4.48Å; F239-Y332 WeakPolarHBondContact O-CB 3.41Å; L242-Y332 HydrophobicContact CB-CD2 4.45Å; L242-Y332 HydrophobicContact CB-CE2 4.49Å; L242-Y332 HydrophobicContact CD2-CD2 4.09Å; L242-Y332 HydrophobicContact CD2-CE2 3.37Å; L242-Y332 HydrophobicContact CG-CD2 4.03Å; L242-Y332 HydrophobicContact CG-CE2 3.66Å; L246-Y332 HydrophobicContact CD1-CD2 4.13Å; L246-Y332 HydrophobicContact CD1-CE2 3.87Å; E328-Y332 HydrophobicContact CG-CD2 4.22Å; E328-Y332 HydrophobicContact CG-CE2 3.51Å; E328-Y332 WeakPolarHBondContact O-CD2 3.42Å; E328-Y332 PolarHBondContact O-N 2.84Å; E328-Y332 PolarHBondContact OE1-OH 2.74Å; A329-Y332 PolarHBondContact O-N 2.84Å; A329-Y332 VanDerWaalsContact O-N 3.15Å; I330-Y332 VanDerWaalsContact C-N 3.28Å; I330-Y332 PolarHBondContact O-N 3.16Å; Y332-K335 HydrophobicContact CD1-CD 4.43Å; Y332-K335 WeakPolarHBondContact O-CB 3.49Å; Y332-K335 PolarHBondContact O-N 3.43Å; Y332-Y336 VanDerWaalsContact O-CD2 3.31Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.41Å
333Y95.6Very high93.9Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-63.2-42.1173.9-62.3-32.4000112.2F71 L240 G243 A244 E247 A329 I330 K335 Y336 I342 A346F71-Y333 HydrophobicContact CE1-CE1 4.36Å; F71-Y333 AromaticContact CZ-CE1 3.98Å; F71-Y333 HydrophobicContact CZ-CE1 3.98Å; L240-Y333 HydrophobicContact CD1-CD1 4.07Å; L240-Y333 HydrophobicContact CD1-CE1 4.43Å; G243-Y333 PolarHBondContact O-OH 2.89Å; A244-Y333 WeakPolarHBondContact CA-OH 3.48Å; A244-Y333 PolarHBondContact N-OH 3.42Å; E247-Y333 PolarHBondContact OE2-OH 3.15Å; A329-Y333 HydrophobicContact CB-CE2 4.46Å; A329-Y333 WeakPolarHBondContact O-CD2 3.31Å; A329-Y333 PolarHBondContact O-N 3.42Å; I330-Y333 PolarHBondContact O-N 2.96Å; Y333-K335 PolarHBondContact O-N 2.86Å; Y333-Y336 PolarHBondContact O-N 3.44Å; Y333-I342 HydrophobicContact CD1-CG2 4.17Å; Y333-I342 HydrophobicContact CD2-CG2 3.83Å; Y333-I342 HydrophobicContact CE1-CG2 3.93Å; Y333-I342 HydrophobicContact CE2-CG2 3.54Å; Y333-I342 HydrophobicContact CG-CG2 4.11Å; Y333-A346 HydrophobicContact CD2-CB 4.06Å; Y333-A346 HydrophobicContact CE2-CB 3.85Å
334G92.9Very high93.8Very high42 Ų4246 Ų4643%0.43323%0.23SC..THydrogen-bonded Turntrans-61.4-12.7177.900000115.1I330 Y336 E343I330-G334 PolarHBondContact O-N 3.49Å; G334-Y336 PolarHBondContact O-N 3.13Å; G334-E343 WeakPolarHBondContact CA-OE2 3.41Å
335K93.1Very high93.7Very high110 Ų11041.5 Ų41.548%0.47821%0.209SC..THydrogen-bonded Turntrans-71.6-16.4171.3-63.1-179.8179.4-178.90113.1F239 Y332 Y333F239-K335 HydrophobicContact CB-CD 4.31Å; F239-K335 HydrophobicContact CD2-CD 4.23Å; F239-K335 HydrophobicContact CG-CD 4.25Å; Y332-K335 HydrophobicContact CD1-CD 4.43Å; Y332-K335 WeakPolarHBondContact O-CB 3.49Å; Y332-K335 PolarHBondContact O-N 3.43Å; Y333-K335 PolarHBondContact O-N 2.86Å
336Y91.2Very high93.6Very high61 Ų6138.7 Ų38.724%0.23920%0.197CC..  trans-119.5115-172.3-60-93.4000111.5F182 F239 L240 Y332 Y333 G334 N338 A339F182-Y336 HydrophobicContact CE2-CD1 4.4Å; F182-Y336 HydrophobicContact CZ-CD1 4.49Å; F239-Y336 HydrophobicContact CB-CE2 4.16Å; L240-Y336 HydrophobicContact CB-CD2 4.18Å; L240-Y336 HydrophobicContact CB-CE1 4.26Å; L240-Y336 HydrophobicContact CB-CE2 3.66Å; L240-Y336 HydrophobicContact CD1-CD2 4.03Å; L240-Y336 HydrophobicContact CD1-CE2 4.36Å; L240-Y336 HydrophobicContact CD1-CG 4.35Å; L240-Y336 PolarHBondContact N-OH 2.89Å; Y332-Y336 VanDerWaalsContact O-CD2 3.31Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.41Å; Y333-Y336 PolarHBondContact O-N 3.44Å; G334-Y336 PolarHBondContact O-N 3.13Å; Y336-N338 PolarHBondContact O-N 3.13Å; Y336-N338 VanDerWaalsContact O-N 3.14Å; Y336-A339 PolarHBondContact O-N 3.18Å
337K86.8Confident93.5Very high201 Ų20138.9 Ų38.987%0.87420%0.198SC*.G310 helixtrans-55.3-35.6-178.6-66.6-176.1179.4-179.70113.9A339K337-A339 VanDerWaalsContact C-N 3.29Å; K337-A339 PolarHBondContact O-N 3.28Å
338N88.1Confident93.4Very high105 Ų10535.8 Ų35.856%0.56119%0.185SC*.G310 helixtrans-86.44-177.7-62.6-32.4000113.7F182 Y336F182-N338 HydrophobicContact CD1-CB 3.68Å; F182-N338 HydrophobicContact CE1-CB 3.89Å; F182-N338 HydrophobicContact CG-CB 4.12Å; Y336-N338 PolarHBondContact O-N 3.13Å; Y336-N338 VanDerWaalsContact O-N 3.14Å
339A90.9Very high93.2Very high0 Ų033.9 Ų33.90%018%0.176CC..G310 helixtrans-107.18.6179.100000113.5L240 Y336 K337 V341 I342 E343L240-A339 HydrophobicContact CD1-CB 4.17Å; Y336-A339 PolarHBondContact O-N 3.18Å; K337-A339 VanDerWaalsContact C-N 3.29Å; K337-A339 PolarHBondContact O-N 3.28Å; A339-V341 PolarHBondContact O-N 2.66Å; A339-I342 WeakPolarHBondContact O-CA 3.34Å; A339-I342 WeakPolarHBondContact O-CB 3.39Å; A339-I342 PolarHBondContact O-N 3Å; A339-E343 PolarHBondContact O-N 2.98Å
340G91.6Very high93.1Very high5 Ų533.9 Ų33.95%0.05218%0.176CC..Hα-helixtrans-56.9-33.8-177.300000114.2E343 L344 I373 L375G340-E343 PolarHBondContact O-N 2.78Å; G340-L344 WeakPolarHBondContact O-CB 3.15Å; G340-L344 PolarHBondContact O-N 3.01Å; G340-I373 VanDerWaalsContact O-CG2 3.31Å; G340-I373 WeakPolarHBondContact O-CG2 3.38Å; G340-L375 VanDerWaalsContact C-CD2 3.49Å; G340-L375 WeakPolarHBondContact O-CD2 3.45Å
341V91.6Very high93.1Very high8 Ų833.1 Ų33.15%0.04817%0.172CC..Hα-helixtrans-64.4-44.4173.8175.80000111.6M1 P4 A339 E343 L344 E345 L375M1-V341 HydrophobicContact CB-CB 4.2Å; M1-V341 HydrophobicContact CB-CG1 4.47Å; M1-V341 HydrophobicContact CB-CG2 4.3Å; M1-V341 HydrophobicContact CG-CB 4.08Å; M1-V341 HydrophobicContact CG-CG1 3.81Å; M1-V341 HydrophobicContact CG-CG2 4.31Å; M1-V341 HydrophobicContact SD-CB 3.87Å; M1-V341 HydrophobicContact SD-CG1 3.26Å; M1-V341 WeakPolarHBondContact SD-CG1 3.32Å; P4-V341 HydrophobicContact CB-CG1 3.86Å; A339-V341 PolarHBondContact O-N 2.66Å; V341-E343 VanDerWaalsContact C-N 3.35Å; V341-L344 PolarHBondContact O-N 2.57Å; V341-E345 HydrophobicContact CG1-CG 4.5Å; V341-E345 WeakPolarHBondContact O-CG 3.44Å; V341-E345 PolarHBondContact O-N 2.84Å; V341-L375 HydrophobicContact CG2-CD2 4.13Å
342I92.9Very high93Very high1 Ų130.3 Ų30.31%0.00515%0.15CC..Hα-helixtrans-64.6-42.9177.5-55.1-58.7000110.4M1 W68 F71 R75 Y333 A339 L344 E345 A346M1-I342 HydrophobicContact CE-CD1 3.6Å; M1-I342 HydrophobicContact SD-CD1 3.9Å; W68-I342 HydrophobicContact CE3-CD1 4.14Å; W68-I342 HydrophobicContact CE3-CG1 4.16Å; W68-I342 HydrophobicContact CH2-CG1 4.25Å; W68-I342 HydrophobicContact CZ3-CD1 4.27Å; W68-I342 HydrophobicContact CZ3-CG1 3.77Å; F71-I342 HydrophobicContact CE1-CG2 4.23Å; R75-I342 VanDerWaalsContact NH2-CD1 3.28Å; Y333-I342 HydrophobicContact CD1-CG2 4.17Å; Y333-I342 HydrophobicContact CD2-CG2 3.83Å; Y333-I342 HydrophobicContact CE1-CG2 3.93Å; Y333-I342 HydrophobicContact CE2-CG2 3.54Å; Y333-I342 HydrophobicContact CG-CG2 4.11Å; A339-I342 WeakPolarHBondContact O-CA 3.34Å; A339-I342 WeakPolarHBondContact O-CB 3.39Å; A339-I342 PolarHBondContact O-N 3Å; I342-L344 VanDerWaalsContact C-N 3.34Å; I342-L344 PolarHBondContact O-N 2.88Å; I342-E345 PolarHBondContact O-N 3.3Å; I342-A346 WeakPolarHBondContact O-CB 3.3Å; I342-A346 PolarHBondContact O-N 3.49Å
343E94.2Very high92.9Very high40 Ų4028.7 Ų28.719%0.18714%0.144CC..Hα-helixtrans-57.1-47.2176.1-169.5-171.7170.700111.4I330 G334 A339 G340 V341 A346 C347 I373I330-E343 HydrophobicContact CG2-CG 3.94Å; G334-E343 WeakPolarHBondContact CA-OE2 3.41Å; A339-E343 PolarHBondContact O-N 2.98Å; G340-E343 PolarHBondContact O-N 2.78Å; V341-E343 VanDerWaalsContact C-N 3.35Å; E343-A346 PolarHBondContact O-N 3.23Å; E343-C347 PolarHBondContact O-N 3.03Å; E343-C347 PolarHBondContact O-SG 3.08Å; E343-I373 HydrophobicContact CB-CD1 4.32Å; E343-I373 HydrophobicContact CB-CG2 4.41Å; E343-I373 HydrophobicContact CG-CD1 3.84Å; E343-I373 HydrophobicContact CG-CG1 4.4Å
344L93.1Very high92.8Very high3 Ų328.7 Ų28.72%0.01614%0.144CC..Hα-helixtrans-64.4-46.6178.9179.867.6000111.9P4 Y6 G340 V341 I342 A346 C347 V348 A370 I373 L375P4-L344 HydrophobicContact CB-CD2 3.81Å; P4-L344 HydrophobicContact CG-CD2 3.91Å; Y6-L344 HydrophobicContact CD1-CD2 4.36Å; Y6-L344 HydrophobicContact CE1-CD2 3.43Å; Y6-L344 VanDerWaalsContact CE1-CD2 3.43Å; Y6-L344 HydrophobicContact CE1-CG 4.28Å; G340-L344 WeakPolarHBondContact O-CB 3.15Å; G340-L344 PolarHBondContact O-N 3.01Å; V341-L344 PolarHBondContact O-N 2.57Å; I342-L344 VanDerWaalsContact C-N 3.34Å; I342-L344 PolarHBondContact O-N 2.88Å; L344-A346 VanDerWaalsContact C-N 3.32Å; L344-A346 PolarHBondContact O-N 2.89Å; L344-C347 WeakPolarHBondContact O-CA 3.48Å; L344-C347 VanDerWaalsContact O-CB 3.29Å; L344-C347 WeakPolarHBondContact O-CB 3.33Å; L344-C347 PolarHBondContact O-N 3.48Å; L344-C347 VanDerWaalsContact O-N 3.15Å; L344-V348 WeakPolarHBondContact O-CG2 3.44Å; L344-V348 PolarHBondContact O-N 2.86Å; L344-A370 HydrophobicContact CD1-CB 3.83Å; L344-I373 HydrophobicContact CB-CD1 4.1Å; L344-I373 HydrophobicContact CB-CG2 4.41Å; L344-I373 HydrophobicContact CD1-CD1 4.14Å; L344-L375 HydrophobicContact CB-CD2 4.29Å; L344-L375 HydrophobicContact CD2-CD1 3.57Å; L344-L375 HydrophobicContact CD2-CD2 4.14Å; L344-L375 HydrophobicContact CD2-CG 4.45Å
345E93.2Very high92.8Very high1 Ų127.6 Ų27.61%0.00513%0.131CC..Hα-helixtrans-66.2-36.5-179.8-70.6178.4-170.600111.8P4 D5 Q8 R75 V341 I342 C347 V348 K349P4-E345 HydrophobicContact CB-CG 4.35Å; D5-E345 PolarHBondContact N-OE1 3.49Å; Q8-E345 PolarHBondContact NE2-OE2 2.97Å; Q8-E345 PolarHBondContact OE1-OE2 2.9Å; R75-E345 IonicContact CZ-OE2 2.96Å; R75-E345 VanDerWaalsContact CZ-OE2 3.31Å; R75-E345 IonicContact NH1-OE1 3.6Å; R75-E345 PolarHBondContact NH1-OE1 3.29Å; R75-E345 IonicContact NH1-OE2 3.2Å; R75-E345 PolarHBondContact NH1-OE2 2.81Å; R75-E345 IonicContact NH2-OE1 3.57Å; R75-E345 IonicContact NH2-OE2 3.86Å; R75-E345 PolarHBondContact NH2-OE2 2.83Å; V341-E345 HydrophobicContact CG1-CG 4.5Å; V341-E345 WeakPolarHBondContact O-CG 3.44Å; V341-E345 PolarHBondContact O-N 2.84Å; I342-E345 PolarHBondContact O-N 3.3Å; E345-C347 VanDerWaalsContact C-N 3.34Å; E345-V348 PolarHBondContact O-N 3.5Å; E345-K349 WeakPolarHBondContact O-CG 3.43Å; E345-K349 PolarHBondContact O-N 2.84Å
346A95Very high92.7Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-62.9-40.1171.200000111.7I330 Y333 I342 E343 L344 V348 K349 A350I330-A346 HydrophobicContact CD1-CB 4.32Å; I330-A346 HydrophobicContact CG1-CB 3.72Å; Y333-A346 HydrophobicContact CD2-CB 4.06Å; Y333-A346 HydrophobicContact CE2-CB 3.85Å; I342-A346 WeakPolarHBondContact O-CB 3.3Å; I342-A346 PolarHBondContact O-N 3.49Å; E343-A346 PolarHBondContact O-N 3.23Å; L344-A346 VanDerWaalsContact C-N 3.32Å; L344-A346 PolarHBondContact O-N 2.89Å; A346-V348 PolarHBondContact O-N 2.87Å; A346-K349 PolarHBondContact O-N 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.22Å
347C94.7Very high92.7Very high3 Ų324.2 Ų24.22%0.0212%0.12CC..Hα-helixtrans-58.8-45.7171.4-67.90000111.8I330 E343 L344 E345 K349 A350 V351 A370I330-C347 HydrophobicContact CD1-CB 4.37Å; E343-C347 PolarHBondContact O-N 3.03Å; E343-C347 PolarHBondContact O-SG 3.08Å; L344-C347 WeakPolarHBondContact O-CA 3.48Å; L344-C347 VanDerWaalsContact O-CB 3.29Å; L344-C347 WeakPolarHBondContact O-CB 3.33Å; L344-C347 PolarHBondContact O-N 3.48Å; L344-C347 VanDerWaalsContact O-N 3.15Å; E345-C347 VanDerWaalsContact C-N 3.34Å; C347-K349 PolarHBondContact O-N 3.32Å; C347-A350 PolarHBondContact O-N 3.15Å; C347-V351 VanDerWaalsContact O-CG2 3.27Å; C347-V351 WeakPolarHBondContact O-CG2 3.38Å; C347-V351 PolarHBondContact O-N 2.99Å; C347-A370 HydrophobicContact CB-CB 4.34Å
348V93.4Very high93Very high6 Ų623.8 Ų23.84%0.03612%0.119CC..Hα-helixtrans-61.8-44.2178.6173.20000111.3L344 E345 A346 V351 R352 L393L344-V348 WeakPolarHBondContact O-CG2 3.44Å; L344-V348 PolarHBondContact O-N 2.86Å; E345-V348 PolarHBondContact O-N 3.5Å; A346-V348 PolarHBondContact O-N 2.87Å; V348-V351 PolarHBondContact O-N 3.48Å; V348-R352 WeakPolarHBondContact O-CG 3.46Å; V348-R352 PolarHBondContact O-N 2.8Å; V348-L393 HydrophobicContact CG1-CD1 4.15Å; V348-L393 HydrophobicContact CG1-CD2 4.32Å; V348-L393 HydrophobicContact CG2-CD1 3.97Å
349K94.3Very high93.3Very high0 Ų021.7 Ų21.70%010%0.103CC..Hα-helixtrans-59.2-48.1175.2-68.8178.4-172.71080111.2C9 E247 Y326 E345 A346 C347 V351 R352 V353C9-K349 VanDerWaalsContact O-CE 3.24Å; C9-K349 WeakPolarHBondContact O-CE 3.47Å; E247-K349 WeakPolarHBondContact OE1-CE 3.32Å; E247-K349 IonicContact OE1-NZ 2.75Å; E247-K349 PolarHBondContact OE1-NZ 2.8Å; Y326-K349 HydrophobicContact CE1-CB 4.23Å; E345-K349 WeakPolarHBondContact O-CG 3.43Å; E345-K349 PolarHBondContact O-N 2.84Å; A346-K349 PolarHBondContact O-N 3.29Å; C347-K349 PolarHBondContact O-N 3.32Å; K349-V351 VanDerWaalsContact C-N 3.32Å; K349-V351 PolarHBondContact O-N 2.79Å; K349-R352 PolarHBondContact O-N 2.89Å; K349-V353 WeakPolarHBondContact O-CG2 3.33Å; K349-V353 PolarHBondContact O-N 2.8Å
350A95Very high93.4Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-59.2-41.8177.800000112.3Y326 I330 A346 C347 V353 L354 F366Y326-A350 HydrophobicContact CD1-CB 4.32Å; Y326-A350 HydrophobicContact CD2-CB 4.08Å; Y326-A350 HydrophobicContact CG-CB 3.87Å; I330-A350 HydrophobicContact CD1-CB 4.41Å; A346-A350 WeakPolarHBondContact O-CB 3.42Å; A346-A350 PolarHBondContact O-N 3.22Å; C347-A350 PolarHBondContact O-N 3.15Å; A350-V353 PolarHBondContact O-N 3.28Å; A350-L354 WeakPolarHBondContact O-CG 3.38Å; A350-L354 PolarHBondContact O-N 2.97Å; A350-F366 HydrophobicContact CB-CD1 4.23Å; A350-F366 HydrophobicContact CB-CE1 4.04Å; A350-F366 HydrophobicContact CB-CZ 4.17Å
351V95.1Very high93.5Very high0 Ų031.9 Ų31.90%014%0.144CC..Hα-helixtrans-61.7-43.3175.8169.20000111.7C347 V348 K349 V353 L354 A355 A363 F366 L367 L393 I397C347-V351 VanDerWaalsContact O-CG2 3.27Å; C347-V351 WeakPolarHBondContact O-CG2 3.38Å; C347-V351 PolarHBondContact O-N 2.99Å; V348-V351 PolarHBondContact O-N 3.48Å; K349-V351 VanDerWaalsContact C-N 3.32Å; K349-V351 PolarHBondContact O-N 2.79Å; V351-V353 VanDerWaalsContact C-N 3.34Å; V351-V353 PolarHBondContact O-N 2.98Å; V351-L354 PolarHBondContact O-N 2.89Å; V351-A355 WeakPolarHBondContact O-CB 3.32Å; V351-A355 PolarHBondContact O-N 2.85Å; V351-A363 HydrophobicContact CG1-CB 4.36Å; V351-F366 HydrophobicContact CG2-CB 3.59Å; V351-F366 HydrophobicContact CG2-CG 4.47Å; V351-L367 HydrophobicContact CG1-CD1 4.18Å; V351-L367 HydrophobicContact CG1-CD2 4.16Å; V351-L367 HydrophobicContact CG1-CG 4.14Å; V351-L367 HydrophobicContact CG2-CD2 3.89Å; V351-L367 HydrophobicContact CG2-CG 3.81Å; V351-L393 HydrophobicContact CG1-CB 4.33Å; V351-L393 HydrophobicContact CG1-CD2 4.23Å; V351-I397 HydrophobicContact CG1-CG2 4.37Å
352R93.9Very high93.6Very high16 Ų1633.8 Ų33.86%0.0615%0.153CC..Hα-helixtrans-63.9-39.1177.7-70.3178.5-176.9-155.2-1.2112Y6 M7 C9 V348 K349 A355 I356 L393 L396Y6-R352 PolarHBondContact O-NH2 3.02Å; M7-R352 PolarHBondContact O-NH1 3.28Å; C9-R352 PolarHBondContact SG-NH1 3.18Å; V348-R352 WeakPolarHBondContact O-CG 3.46Å; V348-R352 PolarHBondContact O-N 2.8Å; K349-R352 PolarHBondContact O-N 2.89Å; R352-A355 WeakPolarHBondContact O-CB 3.47Å; R352-A355 PolarHBondContact O-N 2.98Å; R352-I356 PolarHBondContact O-N 3.15Å; R352-L393 HydrophobicContact CG-CD2 4.31Å; R352-L396 HydrophobicContact CG-CD2 4.34Å
353V93.8Very high93.7Very high0 Ų033.8 Ų33.80%015%0.153CC..Hα-helixtrans-63.4-48.2172.91780000110.7V254 Y258 T262 I322 I323 Y326 K349 A350 V351 A355 I356 Q357V254-V353 HydrophobicContact CG1-CG2 4.12Å; V254-V353 HydrophobicContact CG2-CG1 4.2Å; V254-V353 HydrophobicContact CG2-CG2 3.55Å; Y258-V353 HydrophobicContact CE2-CG1 4.4Å; T262-V353 HydrophobicContact CG2-CG2 4.03Å; I322-V353 HydrophobicContact CG2-CG1 4.16Å; I323-V353 HydrophobicContact CD1-CB 4.26Å; I323-V353 HydrophobicContact CD1-CG1 3.84Å; Y326-V353 HydrophobicContact CE2-CG2 4.23Å; K349-V353 WeakPolarHBondContact O-CG2 3.33Å; K349-V353 PolarHBondContact O-N 2.8Å; A350-V353 PolarHBondContact O-N 3.28Å; V351-V353 VanDerWaalsContact C-N 3.34Å; V351-V353 PolarHBondContact O-N 2.98Å; V353-A355 VanDerWaalsContact C-N 3.26Å; V353-A355 PolarHBondContact O-N 3.33Å; V353-I356 PolarHBondContact O-N 2.84Å; V353-I356 VanDerWaalsContact O-N 3.17Å; V353-Q357 HydrophobicContact CG1-CG 4.46Å; V353-Q357 WeakPolarHBondContact O-CG 3.46Å; V353-Q357 PolarHBondContact O-N 2.62Å
354L94.1Very high93.8Very high0 Ų032.1 Ų32.10%015%0.146CC..Hα-helixtrans-62-32.6178.3-73.9163.2000113I323 A350 V351 Q357 K358 R359 E362 A363 F366I323-L354 HydrophobicContact CD1-CD1 4.36Å; I323-L354 HydrophobicContact CD1-CD2 3.73Å; I323-L354 HydrophobicContact CD1-CG 3.64Å; I323-L354 HydrophobicContact CG1-CD2 3.72Å; I323-L354 HydrophobicContact CG1-CG 4.21Å; I323-L354 HydrophobicContact CG2-CD1 4.4Å; I323-L354 HydrophobicContact CG2-CD2 4.07Å; A350-L354 WeakPolarHBondContact O-CG 3.38Å; A350-L354 PolarHBondContact O-N 2.97Å; V351-L354 PolarHBondContact O-N 2.89Å; L354-Q357 CarbonylContact O-C 3.58Å; L354-Q357 PolarHBondContact O-N 3.19Å; L354-K358 PolarHBondContact O-N 3.42Å; L354-R359 HydrophobicContact CD2-CB 3.7Å; L354-R359 PolarHBondContact O-N 2.91Å; L354-E362 HydrophobicContact CD1-CB 4.32Å; L354-E362 HydrophobicContact CD2-CB 4.21Å; L354-A363 HydrophobicContact CB-CB 3.74Å; L354-A363 HydrophobicContact CD1-CB 4.14Å; L354-F366 HydrophobicContact CD1-CD2 3.48Å; L354-F366 VanDerWaalsContact CD1-CD2 3.48Å; L354-F366 HydrophobicContact CD1-CE2 3.54Å
355A92.6Very high93.8Very high20 Ų2036 Ų3617%0.16516%0.163CC..Hα-helixtrans-61.6-44.6174.900000111.6V351 R352 V353 K358 L396 I397V351-A355 WeakPolarHBondContact O-CB 3.32Å; V351-A355 PolarHBondContact O-N 2.85Å; R352-A355 WeakPolarHBondContact O-CB 3.47Å; R352-A355 PolarHBondContact O-N 2.98Å; V353-A355 VanDerWaalsContact C-N 3.26Å; V353-A355 PolarHBondContact O-N 3.33Å; A355-K358 PolarHBondContact O-N 3.17Å; A355-K358 VanDerWaalsContact O-N 3.1Å; A355-L396 HydrophobicContact CB-CD2 3.9Å; A355-L396 HydrophobicContact CB-CG 3.87Å; A355-I397 HydrophobicContact CB-CG2 3.9Å
356I91.3Very high93.8Very high68 Ų6836.7 Ų36.735%0.34917%0.167SC..Hα-helixtrans-69.5-37.6176.6-72.8164.4000111.7Y258 G261 T262 R352 V353 K358Y258-I356 HydrophobicContact CD1-CG2 3.56Å; Y258-I356 HydrophobicContact CE1-CG2 3.7Å; Y258-I356 HydrophobicContact CG-CG2 4.34Å; G261-I356 VanDerWaalsContact O-CD1 3.26Å; G261-I356 WeakPolarHBondContact O-CD1 3.32Å; T262-I356 VanDerWaalsContact CA-CD1 3.48Å; T262-I356 HydrophobicContact CG2-CD1 3.86Å; R352-I356 PolarHBondContact O-N 3.15Å; V353-I356 PolarHBondContact O-N 2.84Å; V353-I356 VanDerWaalsContact O-N 3.17Å; I356-K358 PolarHBondContact O-N 2.71Å; I356-K358 VanDerWaalsContact O-N 3.15Å
357Q91.3Very high93.7Very high32 Ų3236.8 Ų36.815%0.1517%0.167CC..THydrogen-bonded Turntrans-68.1-4.8171.9-66.1-177.83.800113.2Y258 P319 V353 L354 R359Y258-Q357 VanDerWaalsContact OH-CG 3.3Å; Y258-Q357 WeakPolarHBondContact OH-CG 3.45Å; Y258-Q357 PolarHBondContact OH-NE2 2.92Å; P319-Q357 PolarHBondContact O-NE2 2.88Å; V353-Q357 HydrophobicContact CG1-CG 4.46Å; V353-Q357 WeakPolarHBondContact O-CG 3.46Å; V353-Q357 PolarHBondContact O-N 2.62Å; L354-Q357 CarbonylContact O-C 3.58Å; L354-Q357 PolarHBondContact O-N 3.19Å; Q357-R359 HydrophobicContact CB-CG 4.23Å; Q357-R359 PolarHBondContact O-N 3.45Å
358K92.5Very high93.5Very high192 Ų19241 Ų4184%0.83519%0.187SC*.THydrogen-bonded Turntrans58.828.9-176.6-56.2-179.6179.4177.40113.7L354 A355 I356 A360L354-K358 PolarHBondContact O-N 3.42Å; A355-K358 PolarHBondContact O-N 3.17Å; A355-K358 VanDerWaalsContact O-N 3.1Å; I356-K358 PolarHBondContact O-N 2.71Å; I356-K358 VanDerWaalsContact O-N 3.15Å; K358-A360 PolarHBondContact O-N 2.84Å
359R94.3Very high93.3Very high60 Ų6045.7 Ų45.723%0.22621%0.211CC..  trans-98.161.3179.3-71.1168.967.7-177.310.8111.5L354 Q357 R361 E362 A363L354-R359 HydrophobicContact CD2-CB 3.7Å; L354-R359 PolarHBondContact O-N 2.91Å; Q357-R359 HydrophobicContact CB-CG 4.23Å; Q357-R359 PolarHBondContact O-N 3.45Å; R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.77Å; R359-E362 IonicContact CZ-OE1 2.81Å; R359-E362 IonicContact CZ-OE2 3.15Å; R359-E362 IonicContact NE-OE1 3.55Å; R359-E362 PolarHBondContact NE-OE1 3.45Å; R359-E362 IonicContact NE-OE2 2.75Å; R359-E362 IonicContact NH2-OE1 2.76Å; R359-E362 PolarHBondContact NH2-OE1 3.13Å; R359-E362 IonicContact NH2-OE2 3.85Å; R359-E362 PolarHBondContact NH2-OE2 3.39Å; R359-E362 PolarHBondContact O-N 3.25Å; R359-A363 PolarHBondContact O-N 3Å; R359-A363 VanDerWaalsContact O-N 3.13Å
360A93.9Very high93.1Very high23 Ų2345.8 Ų45.819%0.1921%0.212CC..Hα-helixtrans-60.8-33.4-171.800000114.6K358 A363 S364 I397 F399K358-A360 PolarHBondContact O-N 2.84Å; A360-A363 PolarHBondContact O-N 2.98Å; A360-S364 PolarHBondContact O-N 3.45Å; A360-I397 HydrophobicContact CB-CB 4.14Å; A360-I397 WeakPolarHBondContact CB-O 3.5Å; A360-F399 HydrophobicContact CB-CE1 3.91Å; A360-F399 HydrophobicContact CB-CZ 4.23Å
361R93.9Very high92.7Very high196 Ų19647.7 Ų47.774%0.7422%0.224SC*.Hα-helixtrans-62.7-51.8179.1179.7179.1173.61660.4111.7R359 A363 S364 E365R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.77Å; R361-A363 VanDerWaalsContact C-N 3.33Å; R361-S364 WeakPolarHBondContact O-CB 3.47Å; R361-S364 PolarHBondContact O-N 3.35Å; R361-S364 VanDerWaalsContact O-N 3.17Å; R361-E365 PolarHBondContact O-N 3.13Å
362E93.9Very high92.4Very high49 Ų4957 Ų5723%0.22926%0.26CS..Hα-helixtrans-66.7-37.7179.4-67.4178.5-107.300111.1K327 L354 R359 S364 E365 F366K327-E362 IonicContact NZ-OE2 2.86Å; L354-E362 HydrophobicContact CD1-CB 4.32Å; L354-E362 HydrophobicContact CD2-CB 4.21Å; R359-E362 IonicContact CZ-OE1 2.81Å; R359-E362 IonicContact CZ-OE2 3.15Å; R359-E362 IonicContact NE-OE1 3.55Å; R359-E362 PolarHBondContact NE-OE1 3.45Å; R359-E362 IonicContact NE-OE2 2.75Å; R359-E362 IonicContact NH2-OE1 2.76Å; R359-E362 PolarHBondContact NH2-OE1 3.13Å; R359-E362 IonicContact NH2-OE2 3.85Å; R359-E362 PolarHBondContact NH2-OE2 3.39Å; R359-E362 PolarHBondContact O-N 3.25Å; E362-S364 PolarHBondContact O-N 3.15Å; E362-E365 WeakPolarHBondContact O-CB 3.49Å; E362-E365 PolarHBondContact O-N 3.01Å; E362-F366 WeakPolarHBondContact O-CD2 3.48Å; E362-F366 PolarHBondContact O-N 3.01Å
363A95Very high92.1Very high0 Ų056.8 Ų56.80%026%0.26CS..Hα-helixtrans-57.7-40173.200000111.6V351 L354 R359 A360 R361 E365 F366 L367 I397V351-A363 HydrophobicContact CG1-CB 4.36Å; L354-A363 HydrophobicContact CB-CB 3.74Å; L354-A363 HydrophobicContact CD1-CB 4.14Å; R359-A363 PolarHBondContact O-N 3Å; R359-A363 VanDerWaalsContact O-N 3.13Å; A360-A363 PolarHBondContact O-N 2.98Å; R361-A363 VanDerWaalsContact C-N 3.33Å; A363-E365 VanDerWaalsContact C-N 3.29Å; A363-E365 PolarHBondContact O-N 3.39Å; A363-F366 PolarHBondContact O-N 2.96Å; A363-L367 WeakPolarHBondContact O-CG 3.38Å; A363-L367 PolarHBondContact O-N 3.49Å; A363-L367 VanDerWaalsContact O-N 3.09Å; A363-I397 HydrophobicContact CB-CD1 4.07Å; A363-I397 HydrophobicContact CB-CG2 3.8Å
364S95.2Very high91.6Very high5 Ų562.6 Ų62.64%0.03529%0.291CS..Hα-helixtrans-65.6-28.2175-1790000113.4A360 R361 E362 Q368 K402A360-S364 PolarHBondContact O-N 3.45Å; R361-S364 WeakPolarHBondContact O-CB 3.47Å; R361-S364 PolarHBondContact O-N 3.35Å; R361-S364 VanDerWaalsContact O-N 3.17Å; E362-S364 PolarHBondContact O-N 3.15Å; S364-Q368 VanDerWaalsContact O-CG 3.29Å; S364-Q368 WeakPolarHBondContact O-CG 3.45Å; S364-Q368 PolarHBondContact O-N 2.99Å; S364-K402 PolarHBondContact OG-NZ 3.43Å
365E93.5Very high91.1Very high84 Ų8463.7 Ų63.739%0.39330%0.297SS..Hα-helixtrans-70.4-43176.5-67.9173.9-176.300110.4R361 E362 A363 L367 Q368 N369R361-E365 PolarHBondContact O-N 3.13Å; E362-E365 WeakPolarHBondContact O-CB 3.49Å; E362-E365 PolarHBondContact O-N 3.01Å; A363-E365 VanDerWaalsContact C-N 3.29Å; A363-E365 PolarHBondContact O-N 3.39Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 3.35Å; E365-Q368 PolarHBondContact O-N 3.35Å; E365-N369 PolarHBondContact O-N 2.95Å; E365-N369 VanDerWaalsContact O-N 3.11Å; E365-N369 PolarHBondContact O-ND2 3.15Å
366F93Very high90.5Very high16 Ų1665.1 Ų65.17%0.0731%0.313CS..Hα-helixtrans-58-45.3171.3-79.4-82.7000112.1I323 K327 I330 A350 V351 L354 E362 A363 Q368 N369 A370I323-F366 HydrophobicContact CG2-CE2 4.04Å; I323-F366 HydrophobicContact CG2-CZ 4.25Å; K327-F366 HydrophobicContact CD-CZ 4.46Å; K327-F366 HydrophobicContact CG-CE1 4.12Å; K327-F366 HydrophobicContact CG-CE2 4.36Å; K327-F366 HydrophobicContact CG-CZ 3.5Å; K327-F366 VanDerWaalsContact CG-CZ 3.5Å; I330-F366 HydrophobicContact CD1-CD1 3.87Å; I330-F366 HydrophobicContact CD1-CE1 3.49Å; I330-F366 VanDerWaalsContact CD1-CE1 3.49Å; A350-F366 HydrophobicContact CB-CD1 4.23Å; A350-F366 HydrophobicContact CB-CE1 4.04Å; A350-F366 HydrophobicContact CB-CZ 4.17Å; V351-F366 HydrophobicContact CG2-CB 3.59Å; V351-F366 HydrophobicContact CG2-CG 4.47Å; L354-F366 HydrophobicContact CD1-CD2 3.48Å; L354-F366 VanDerWaalsContact CD1-CD2 3.48Å; L354-F366 HydrophobicContact CD1-CE2 3.54Å; E362-F366 WeakPolarHBondContact O-CD2 3.48Å; E362-F366 PolarHBondContact O-N 3.01Å; A363-F366 PolarHBondContact O-N 2.96Å; F366-Q368 VanDerWaalsContact C-N 3.33Å; F366-Q368 PolarHBondContact O-N 2.89Å; F366-N369 PolarHBondContact O-N 3.29Å; F366-A370 VanDerWaalsContact O-CB 3.32Å; F366-A370 WeakPolarHBondContact O-CB 3.22Å; F366-A370 PolarHBondContact O-N 3.03Å
367L93.3Very high90Very high2 Ų270.6 Ų70.61%0.0134%0.338CS..Hα-helixtrans-65.6-34.1178.9-70175.4000113V351 A363 E365 A370 V371 L390 L393 Y394 I397V351-L367 HydrophobicContact CG1-CD1 4.18Å; V351-L367 HydrophobicContact CG1-CD2 4.16Å; V351-L367 HydrophobicContact CG1-CG 4.14Å; V351-L367 HydrophobicContact CG2-CD2 3.89Å; V351-L367 HydrophobicContact CG2-CG 3.81Å; A363-L367 WeakPolarHBondContact O-CG 3.38Å; A363-L367 PolarHBondContact O-N 3.49Å; A363-L367 VanDerWaalsContact O-N 3.09Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 3.35Å; L367-A370 PolarHBondContact O-N 3.12Å; L367-V371 WeakPolarHBondContact O-CG2 3.5Å; L367-V371 PolarHBondContact O-N 3.14Å; L367-L390 HydrophobicContact CD2-CD2 3.89Å; L367-L393 HydrophobicContact CD1-CB 4.03Å; L367-L393 HydrophobicContact CD2-CB 3.84Å; L367-L393 HydrophobicContact CD2-CD1 3.68Å; L367-L393 HydrophobicContact CD2-CG 4.41Å; L367-Y394 HydrophobicContact CB-CE1 4.15Å; L367-Y394 HydrophobicContact CB-CE2 3.85Å; L367-Y394 WeakPolarHBondContact CB-OH 3.49Å; L367-Y394 HydrophobicContact CD1-CD1 3.76Å; L367-Y394 HydrophobicContact CD1-CD2 3.95Å; L367-Y394 HydrophobicContact CD1-CE1 3.69Å; L367-Y394 HydrophobicContact CD1-CE2 3.86Å; L367-Y394 HydrophobicContact CD1-CG 3.89Å; L367-Y394 HydrophobicContact CG-CE2 4.43Å; L367-I397 HydrophobicContact CD1-CD1 4Å
368Q91.4Very high89.7Confident92 Ų9269.9 Ų69.943%0.4334%0.335SS..Hα-helixtrans-65.1-44.6174.5-78.5173-1500111.3S364 E365 F366 A370 V371 Y372S364-Q368 VanDerWaalsContact O-CG 3.29Å; S364-Q368 WeakPolarHBondContact O-CG 3.45Å; S364-Q368 PolarHBondContact O-N 2.99Å; E365-Q368 PolarHBondContact O-N 3.35Å; F366-Q368 VanDerWaalsContact C-N 3.33Å; F366-Q368 PolarHBondContact O-N 2.89Å; Q368-A370 VanDerWaalsContact C-N 3.34Å; Q368-V371 PolarHBondContact O-N 3.4Å; Q368-Y372 VanDerWaalsContact O-CD2 3.26Å; Q368-Y372 WeakPolarHBondContact O-CD2 3.23Å
369N89.2Confident89.4Confident104 Ų10462.9 Ų62.956%0.55631%0.31SS*.Hα-helixtrans-66.4-38176.8-65.3-22000111.6E365 F366 V371 Y372 I373E365-N369 PolarHBondContact O-N 2.95Å; E365-N369 VanDerWaalsContact O-N 3.11Å; E365-N369 PolarHBondContact O-ND2 3.15Å; F366-N369 PolarHBondContact O-N 3.29Å; N369-V371 PolarHBondContact O-N 2.84Å; N369-V371 VanDerWaalsContact O-N 3.15Å; N369-Y372 PolarHBondContact O-N 3Å; N369-I373 PolarHBondContact O-N 3.16Å
370A88.9Confident89Confident2 Ų261.5 Ų61.52%0.01731%0.306CS..Hα-helixtrans-59.4-26.3179.600000114.2L344 C347 F366 L367 Q368 Y372 I373 R386L344-A370 HydrophobicContact CD1-CB 3.83Å; C347-A370 HydrophobicContact CB-CB 4.34Å; F366-A370 VanDerWaalsContact O-CB 3.32Å; F366-A370 WeakPolarHBondContact O-CB 3.22Å; F366-A370 PolarHBondContact O-N 3.03Å; L367-A370 PolarHBondContact O-N 3.12Å; Q368-A370 VanDerWaalsContact C-N 3.34Å; A370-Y372 VanDerWaalsContact C-N 3.3Å; A370-I373 HydrophobicContact CB-CD1 4.38Å; A370-R386 PolarHBondContact O-NH2 2.75Å
371V87.3Confident88.6Confident40 Ų4066.3 Ų66.324%0.24233%0.325CS..Hα-helixtrans-67.8-31.3175.5176.30000111.7L367 Q368 N369 R386 L390 F406L367-V371 WeakPolarHBondContact O-CG2 3.5Å; L367-V371 PolarHBondContact O-N 3.14Å; Q368-V371 PolarHBondContact O-N 3.4Å; N369-V371 PolarHBondContact O-N 2.84Å; N369-V371 VanDerWaalsContact O-N 3.15Å; V371-R386 PolarHBondContact O-NH2 3.2Å; V371-L390 HydrophobicContact CG2-CD1 3.8Å; V371-F406 HydrophobicContact CG2-CE1 3.98Å; V371-F406 HydrophobicContact CG2-CZ 3.87Å
372Y87.5Confident88.3Confident197 Ų19759.1 Ų59.177%0.77330%0.3SS*.Hα-helixtrans-91.2-6.5-177-62.1-74000113.9Q368 N369 A370 N374Q368-Y372 VanDerWaalsContact O-CD2 3.26Å; Q368-Y372 WeakPolarHBondContact O-CD2 3.23Å; N369-Y372 PolarHBondContact O-N 3Å; A370-Y372 VanDerWaalsContact C-N 3.3Å; Y372-N374 PolarHBondContact O-N 2.76Å
373I88.6Confident88Confident10 Ų1059.3 Ų59.35%0.05130%0.3CS..  trans-61.3125.8174.2-61.4175.5000109.1G340 E343 L344 N369 A370 L375 R386G340-I373 VanDerWaalsContact O-CG2 3.31Å; G340-I373 WeakPolarHBondContact O-CG2 3.38Å; E343-I373 HydrophobicContact CB-CD1 4.32Å; E343-I373 HydrophobicContact CB-CG2 4.41Å; E343-I373 HydrophobicContact CG-CD1 3.84Å; E343-I373 HydrophobicContact CG-CG1 4.4Å; L344-I373 HydrophobicContact CB-CD1 4.1Å; L344-I373 HydrophobicContact CB-CG2 4.41Å; L344-I373 HydrophobicContact CD1-CD1 4.14Å; N369-I373 PolarHBondContact O-N 3.16Å; A370-I373 HydrophobicContact CB-CD1 4.38Å; I373-L375 HydrophobicContact CG2-CD2 3.98Å; I373-L375 PolarHBondContact O-N 3.34Å; I373-R386 PolarHBondContact O-NH2 2.51Å
374N83.3Confident87.8Confident122 Ų12260.9 Ų60.965%0.65231%0.308SS*.  trans-81.1113.9179.9-173.3-2.5000109.8Y372 G376Y372-N374 PolarHBondContact O-N 2.76Å; N374-G376 PolarHBondContact OD1-N 3.38Å
375L84.4Confident87.6Confident23 Ų2365 Ų6512%0.1233%0.326CS..  trans-103.811.8178.3-57175.6000112.1P4 G340 V341 L344 I373 L378P4-L375 HydrophobicContact CG-CD1 4.29Å; G340-L375 VanDerWaalsContact C-CD2 3.49Å; G340-L375 WeakPolarHBondContact O-CD2 3.45Å; V341-L375 HydrophobicContact CG2-CD2 4.13Å; L344-L375 HydrophobicContact CB-CD2 4.29Å; L344-L375 HydrophobicContact CD2-CD1 3.57Å; L344-L375 HydrophobicContact CD2-CD2 4.14Å; L344-L375 HydrophobicContact CD2-CG 4.45Å; I373-L375 HydrophobicContact CG2-CD2 3.98Å; I373-L375 PolarHBondContact O-N 3.34Å; L375-L378 HydrophobicContact CB-CD1 4.33Å; L375-L378 HydrophobicContact CB-CD2 3.87Å; L375-L378 HydrophobicContact CB-CG 4.25Å; L375-L378 HydrophobicContact CD1-CD1 4.2Å; L375-L378 HydrophobicContact CD1-CD2 4.42Å
376G80Confident87.4Confident50 Ų5062.2 Ų62.252%0.51531%0.312SS..SBendtrans75.5-154.2-17100000112.4N374 L378N374-G376 PolarHBondContact OD1-N 3.38Å; G376-L378 PolarHBondContact O-N 3.2Å
377Q80.3Confident87.4Confident183 Ų18364.3 Ų64.386%0.85532%0.32SS*.SBendtrans-81.2104.4-179.9-170.573.26.400109.6
378L83.6Confident87.4Confident17 Ų1765.4 Ų65.49%0.08933%0.328CS..  trans-85.3142.1174.9-62.1174.9000111.3L375 G376 E382 K383L375-L378 HydrophobicContact CB-CD1 4.33Å; L375-L378 HydrophobicContact CB-CD2 3.87Å; L375-L378 HydrophobicContact CB-CG 4.25Å; L375-L378 HydrophobicContact CD1-CD1 4.2Å; L375-L378 HydrophobicContact CD1-CD2 4.42Å; G376-L378 PolarHBondContact O-N 3.2Å; L378-E382 VanDerWaalsContact CA-OE2 3.23Å; L378-E382 WeakPolarHBondContact CA-OE2 3.34Å; L378-E382 HydrophobicContact CB-CB 4.11Å; L378-E382 HydrophobicContact CD2-CB 4.22Å; L378-K383 HydrophobicContact CB-CG 3.95Å; L378-K383 HydrophobicContact CD1-CG 4.38Å; L378-K383 WeakPolarHBondContact O-CE 3.25Å
379S87Confident87.5Confident46 Ų4661.7 Ų61.732%0.32231%0.311SS..  trans-64.2164.4165.897.50000110.9E381 E382 K383S379-E381 VanDerWaalsContact C-N 3.3Å; S379-E381 WeakPolarHBondContact CB-OE2 3.24Å; S379-E381 PolarHBondContact O-N 3.22Å; S379-E381 PolarHBondContact OG-N 2.75Å; S379-E381 PolarHBondContact OG-OE2 3.14Å; S379-E382 PolarHBondContact N-OE2 2.98Å; S379-E382 PolarHBondContact O-N 3.37Å; S379-E382 PolarHBondContact OG-N 3.34Å; S379-E382 VanDerWaalsContact OG-N 3.16Å; S379-K383 WeakPolarHBondContact O-CG 3.43Å; S379-K383 PolarHBondContact O-N 3.39Å
380E85.3Confident87.6Confident30 Ų3057.1 Ų57.114%0.1429%0.287CS..Hα-helixtrans-66.1-35.7176.6-64.7-56.3140.400111.6K383 I384 Q413 T418 I419E380-K383 WeakPolarHBondContact O-CB 3.35Å; E380-K383 PolarHBondContact O-N 3.21Å; E380-K383 IonicContact OE1-NZ 2.99Å; E380-K383 PolarHBondContact OE1-NZ 2.94Å; E380-K383 IonicContact OE2-NZ 3.83Å; E380-I384 VanDerWaalsContact O-CG1 3.27Å; E380-I384 WeakPolarHBondContact O-CG1 3.41Å; E380-I384 PolarHBondContact O-N 3.5Å; E380-Q413 PolarHBondContact OE2-NE2 2.68Å; E380-T418 PolarHBondContact OE1-OG1 3.32Å; E380-I419 HydrophobicContact CB-CD1 3.97Å; E380-I419 HydrophobicContact CB-CG1 4.09Å; E380-I419 HydrophobicContact CG-CD1 4.28Å; E380-I419 HydrophobicContact CG-CG1 3.94Å
381E86.3Confident87.9Confident124 Ų12457 Ų5758%0.57929%0.286SS*.Hα-helixtrans-61.9-43.7174.5-59.871.1-153.900111.4S379 K383 I384 Q385S379-E381 VanDerWaalsContact C-N 3.3Å; S379-E381 WeakPolarHBondContact CB-OE2 3.24Å; S379-E381 PolarHBondContact O-N 3.22Å; S379-E381 PolarHBondContact OG-N 2.75Å; S379-E381 PolarHBondContact OG-OE2 3.14Å; E381-K383 VanDerWaalsContact C-N 3.33Å; E381-K383 PolarHBondContact O-N 2.75Å; E381-I384 PolarHBondContact O-N 2.57Å; E381-Q385 WeakPolarHBondContact O-CB 3.3Å; E381-Q385 PolarHBondContact O-N 2.8Å
382E87.2Confident88.2Confident45 Ų4560 Ų6021%0.2130%0.297CS..Hα-helixtrans-65.4-36.5176.6-69.1171.7161.500111.8V3 L378 S379 Q385 R386V3-E382 WeakPolarHBondContact CG2-OE1 3.25Å; L378-E382 VanDerWaalsContact CA-OE2 3.23Å; L378-E382 WeakPolarHBondContact CA-OE2 3.34Å; L378-E382 HydrophobicContact CB-CB 4.11Å; L378-E382 HydrophobicContact CD2-CB 4.22Å; S379-E382 PolarHBondContact N-OE2 2.98Å; S379-E382 PolarHBondContact O-N 3.37Å; S379-E382 PolarHBondContact OG-N 3.34Å; S379-E382 VanDerWaalsContact OG-N 3.16Å; E382-Q385 PolarHBondContact O-N 3.45Å; E382-R386 WeakPolarHBondContact O-CB 3.35Å; E382-R386 PolarHBondContact O-N 2.9Å
383K88.6Confident88.5Confident53 Ų5350.9 Ų50.923%0.2326%0.262CS..Hα-helixtrans-64.9-44.6172.9-68.7171-165.9170.60111.4L378 S379 E380 E381 Q385 R386 Y387L378-K383 HydrophobicContact CB-CG 3.95Å; L378-K383 HydrophobicContact CD1-CG 4.38Å; L378-K383 WeakPolarHBondContact O-CE 3.25Å; S379-K383 WeakPolarHBondContact O-CG 3.43Å; S379-K383 PolarHBondContact O-N 3.39Å; E380-K383 WeakPolarHBondContact O-CB 3.35Å; E380-K383 PolarHBondContact O-N 3.21Å; E380-K383 IonicContact OE1-NZ 2.99Å; E380-K383 PolarHBondContact OE1-NZ 2.94Å; E380-K383 IonicContact OE2-NZ 3.83Å; E381-K383 VanDerWaalsContact C-N 3.33Å; E381-K383 PolarHBondContact O-N 2.75Å; K383-Q385 VanDerWaalsContact C-N 3.32Å; K383-Q385 PolarHBondContact O-N 3.41Å; K383-R386 PolarHBondContact O-N 3.14Å; K383-Y387 HydrophobicContact CB-CE2 4.45Å; K383-Y387 WeakPolarHBondContact O-CD2 3.26Å; K383-Y387 PolarHBondContact O-N 3.24Å
384I90.8Very high88.8Confident33 Ų3350.6 Ų50.617%0.16926%0.26CS..Hα-helixtrans-59.8-45.9176.6-67.1161.8000109.9E380 E381 Y387 S388 A410 Q413 C414E380-I384 VanDerWaalsContact O-CG1 3.27Å; E380-I384 WeakPolarHBondContact O-CG1 3.41Å; E380-I384 PolarHBondContact O-N 3.5Å; E381-I384 PolarHBondContact O-N 2.57Å; I384-Y387 PolarHBondContact O-N 2.75Å; I384-S388 WeakPolarHBondContact O-CB 3.24Å; I384-S388 PolarHBondContact O-N 2.78Å; I384-S388 PolarHBondContact O-OG 3.37Å; I384-A410 HydrophobicContact CG2-CB 4.47Å; I384-Q413 HydrophobicContact CD1-CB 4.48Å; I384-Q413 HydrophobicContact CG1-CB 3.63Å; I384-C414 HydrophobicContact CD1-CB 4.45Å
385Q89.8Confident89.4Confident91 Ų9149.2 Ų49.243%0.42525%0.25SC..Hα-helixtrans-61.7-47177.3-170.2-179.616.100111.4Y6 E381 E382 K383 Y387 S388 I389Y6-Q385 HydrophobicContact CD2-CG 4.07Å; Y6-Q385 HydrophobicContact CE2-CG 4.2Å; E381-Q385 WeakPolarHBondContact O-CB 3.3Å; E381-Q385 PolarHBondContact O-N 2.8Å; E382-Q385 PolarHBondContact O-N 3.45Å; K383-Q385 VanDerWaalsContact C-N 3.32Å; K383-Q385 PolarHBondContact O-N 3.41Å; Q385-Y387 VanDerWaalsContact C-N 3.34Å; Q385-Y387 PolarHBondContact O-N 2.97Å; Q385-S388 PolarHBondContact O-N 3.25Å; Q385-I389 HydrophobicContact CG-CG1 4.47Å; Q385-I389 WeakPolarHBondContact O-CG1 3.38Å; Q385-I389 PolarHBondContact O-N 3.26Å
386R90.6Very high89.7Confident26 Ų2651.7 Ų51.710%0.09826%0.263CS..Hα-helixtrans-54.5-49177.6-176.7175.4-175.1175.95.4111.9Y6 A370 V371 I373 E382 K383 L390Y6-R386 HydrophobicContact CE1-CG 4.43Å; Y6-R386 HydrophobicContact CE2-CB 4.48Å; Y6-R386 VanDerWaalsContact OH-CB 3.28Å; Y6-R386 WeakPolarHBondContact OH-CB 3.35Å; Y6-R386 WeakPolarHBondContact OH-CG 3.47Å; A370-R386 PolarHBondContact O-NH2 2.75Å; V371-R386 PolarHBondContact O-NH2 3.2Å; I373-R386 PolarHBondContact O-NH2 2.51Å; E382-R386 WeakPolarHBondContact O-CB 3.35Å; E382-R386 PolarHBondContact O-N 2.9Å; K383-R386 PolarHBondContact O-N 3.14Å; R386-L390 HydrophobicContact CG-CD1 4.35Å; R386-L390 WeakPolarHBondContact O-CG 3.39Å; R386-L390 PolarHBondContact O-N 3.01Å
387Y93.1Very high90.4Very high60 Ų6050 Ų5024%0.23524%0.242CC..Hα-helixtrans-71.5-33.5-179.5-67.4-52.3000113K383 I384 Q385 L390 S391 F406 V409 Q413K383-Y387 HydrophobicContact CB-CE2 4.45Å; K383-Y387 WeakPolarHBondContact O-CD2 3.26Å; K383-Y387 PolarHBondContact O-N 3.24Å; I384-Y387 PolarHBondContact O-N 2.75Å; Q385-Y387 VanDerWaalsContact C-N 3.34Å; Q385-Y387 PolarHBondContact O-N 2.97Å; Y387-L390 HydrophobicContact CD1-CD1 4.08Å; Y387-L390 PolarHBondContact O-N 3.49Å; Y387-S391 PolarHBondContact O-N 2.97Å; Y387-F406 AromaticContact CD1-CD1 3.73Å; Y387-F406 HydrophobicContact CD1-CD1 3.73Å; Y387-F406 HydrophobicContact CD1-CE1 4.18Å; Y387-F406 HydrophobicContact CE1-CD1 4.31Å; Y387-F406 HydrophobicContact CE1-CE1 4.35Å; Y387-V409 HydrophobicContact CD1-CG1 4.13Å; Y387-V409 HydrophobicContact CD2-CG1 3.69Å; Y387-V409 HydrophobicContact CE1-CG1 4.14Å; Y387-V409 HydrophobicContact CE2-CG1 3.71Å; Y387-V409 HydrophobicContact CG-CB 4.48Å; Y387-V409 HydrophobicContact CG-CG1 3.91Å; Y387-Q413 HydrophobicContact CD2-CG 4.31Å; Y387-Q413 HydrophobicContact CE2-CG 4.26Å
388S93.5Very high90.9Very high26 Ų2643.2 Ų43.218%0.18222%0.22CC..Hα-helixtrans-63.3-45.1174.6-57.80000111.2I384 Q385 S391 E392I384-S388 WeakPolarHBondContact O-CB 3.24Å; I384-S388 PolarHBondContact O-N 2.78Å; I384-S388 PolarHBondContact O-OG 3.37Å; Q385-S388 PolarHBondContact O-N 3.25Å; S388-S391 VanDerWaalsContact O-CB 3.29Å; S388-S391 WeakPolarHBondContact O-CB 3.43Å; S388-S391 PolarHBondContact O-N 3.07Å; S388-E392 WeakPolarHBondContact O-CG 2.97Å; S388-E392 PolarHBondContact O-N 3.25Å
389I91.5Very high91.4Very high14 Ų1445.7 Ų45.77%0.07223%0.231CC..Hα-helixtrans-66-42.1176.2-64.8-66.2000111.6Y6 M7 Q385 S391 E392 L393Y6-I389 HydrophobicContact CD1-CB 4.15Å; Y6-I389 HydrophobicContact CD1-CG1 4.32Å; Y6-I389 HydrophobicContact CD1-CG2 3.75Å; Y6-I389 HydrophobicContact CD2-CG1 3.97Å; Y6-I389 HydrophobicContact CG-CB 4.06Å; Y6-I389 HydrophobicContact CG-CG1 3.71Å; Y6-I389 HydrophobicContact CG-CG2 3.91Å; M7-I389 HydrophobicContact SD-CD1 4.41Å; Q385-I389 HydrophobicContact CG-CG1 4.47Å; Q385-I389 WeakPolarHBondContact O-CG1 3.38Å; Q385-I389 PolarHBondContact O-N 3.26Å; I389-S391 PolarHBondContact O-N 2.8Å; I389-E392 PolarHBondContact O-N 3.45Å; I389-E392 VanDerWaalsContact O-N 3.15Å; I389-L393 HydrophobicContact CG2-CD1 3.89Å; I389-L393 HydrophobicContact CG2-CG 4.2Å; I389-L393 WeakPolarHBondContact O-CG 3.43Å; I389-L393 PolarHBondContact O-N 2.73Å
390L92.7Very high91.8Very high8 Ų848.8 Ų48.84%0.04224%0.24CC..Hα-helixtrans-57.9-40.3174.6-76.1170.9000110.9L367 V371 R386 Y387 L393 Y394 F406L367-L390 HydrophobicContact CD2-CD2 3.89Å; V371-L390 HydrophobicContact CG2-CD1 3.8Å; R386-L390 HydrophobicContact CG-CD1 4.35Å; R386-L390 WeakPolarHBondContact O-CG 3.39Å; R386-L390 PolarHBondContact O-N 3.01Å; Y387-L390 HydrophobicContact CD1-CD1 4.08Å; Y387-L390 PolarHBondContact O-N 3.49Å; L390-L393 PolarHBondContact O-N 3.09Å; L390-Y394 WeakPolarHBondContact O-CD2 3.45Å; L390-Y394 PolarHBondContact O-N 2.91Å; L390-F406 HydrophobicContact CB-CB 4.26Å; L390-F406 HydrophobicContact CB-CD1 4.17Å; L390-F406 HydrophobicContact CB-CD2 4.41Å; L390-F406 HydrophobicContact CB-CG 4.02Å; L390-F406 HydrophobicContact CD1-CD1 4.07Å; L390-F406 HydrophobicContact CD1-CE1 3.99Å
391S95.1Very high92.2Very high0 Ų052.7 Ų52.70%025%0.253CS..Hα-helixtrans-59.3-50.2172.9165.70000112Y387 S388 I389 L393 Y394 E395 S403 K407Y387-S391 PolarHBondContact O-N 2.97Å; S388-S391 VanDerWaalsContact O-CB 3.29Å; S388-S391 WeakPolarHBondContact O-CB 3.43Å; S388-S391 PolarHBondContact O-N 3.07Å; I389-S391 PolarHBondContact O-N 2.8Å; S391-L393 VanDerWaalsContact C-N 3.32Å; S391-L393 PolarHBondContact O-N 2.9Å; S391-Y394 PolarHBondContact O-N 3.4Å; S391-E395 PolarHBondContact O-N 2.88Å; S391-S403 VanDerWaalsContact CB-O 3.29Å; S391-S403 WeakPolarHBondContact CB-O 3.41Å; S391-S403 VanDerWaalsContact O-CB 3.23Å; S391-S403 WeakPolarHBondContact O-CB 3.31Å; S391-S403 PolarHBondContact O-OG 3.44Å; S391-S403 PolarHBondContact OG-O 2.98Å; S391-S403 VanDerWaalsContact OG-O 3.07Å; S391-S403 PolarHBondContact OG-OG 3.37Å; S391-K407 WeakPolarHBondContact OG-CB 3.03Å; S391-K407 VanDerWaalsContact OG-CE 3.29Å; S391-K407 WeakPolarHBondContact OG-CE 3.37Å
392E93.8Very high92.5Very high101 Ų10150 Ų5047%0.47224%0.24SC..Hα-helixtrans-59.5-40.6178.5-69.8173.6-163.900112.4S388 I389 E395 L396S388-E392 WeakPolarHBondContact O-CG 2.97Å; S388-E392 PolarHBondContact O-N 3.25Å; I389-E392 PolarHBondContact O-N 3.45Å; I389-E392 VanDerWaalsContact O-N 3.15Å; E392-E395 WeakPolarHBondContact O-CB 3.39Å; E392-E395 PolarHBondContact O-N 2.91Å; E392-L396 WeakPolarHBondContact O-CB 3.4Å; E392-L396 PolarHBondContact O-N 3.37Å
393L92.9Very high93Very high7 Ų748.2 Ų48.24%0.03723%0.232CC..Hα-helixtrans-67.7-39.2177.2-67.9172.8000112.2V348 V351 R352 L367 I389 L390 S391 E395 L396 I397V348-L393 HydrophobicContact CG1-CD1 4.15Å; V348-L393 HydrophobicContact CG1-CD2 4.32Å; V348-L393 HydrophobicContact CG2-CD1 3.97Å; V351-L393 HydrophobicContact CG1-CB 4.33Å; V351-L393 HydrophobicContact CG1-CD2 4.23Å; R352-L393 HydrophobicContact CG-CD2 4.31Å; L367-L393 HydrophobicContact CD1-CB 4.03Å; L367-L393 HydrophobicContact CD2-CB 3.84Å; L367-L393 HydrophobicContact CD2-CD1 3.68Å; L367-L393 HydrophobicContact CD2-CG 4.41Å; I389-L393 HydrophobicContact CG2-CD1 3.89Å; I389-L393 HydrophobicContact CG2-CG 4.2Å; I389-L393 WeakPolarHBondContact O-CG 3.43Å; I389-L393 PolarHBondContact O-N 2.73Å; L390-L393 PolarHBondContact O-N 3.09Å; S391-L393 VanDerWaalsContact C-N 3.32Å; S391-L393 PolarHBondContact O-N 2.9Å; L393-E395 VanDerWaalsContact C-N 3.29Å; L393-L396 PolarHBondContact O-N 3.39Å; L393-I397 PolarHBondContact O-N 2.95Å
394Y95.5Very high93.3Very high3 Ų345.8 Ų45.81%0.01222%0.222CC..Hα-helixtrans-66.2-33.2172.5-85.9-64.6000112.3L367 L390 S391 I397 G398 F399 K402 F406L367-Y394 HydrophobicContact CB-CE1 4.15Å; L367-Y394 HydrophobicContact CB-CE2 3.85Å; L367-Y394 WeakPolarHBondContact CB-OH 3.49Å; L367-Y394 HydrophobicContact CD1-CD1 3.76Å; L367-Y394 HydrophobicContact CD1-CD2 3.95Å; L367-Y394 HydrophobicContact CD1-CE1 3.69Å; L367-Y394 HydrophobicContact CD1-CE2 3.86Å; L367-Y394 HydrophobicContact CD1-CG 3.89Å; L367-Y394 HydrophobicContact CG-CE2 4.43Å; L390-Y394 WeakPolarHBondContact O-CD2 3.45Å; L390-Y394 PolarHBondContact O-N 2.91Å; S391-Y394 PolarHBondContact O-N 3.4Å; Y394-I397 HydrophobicContact CD1-CD1 3.9Å; Y394-I397 HydrophobicContact CD1-CG1 4.46Å; Y394-I397 HydrophobicContact CE1-CD1 4.31Å; Y394-I397 WeakPolarHBondContact O-CG1 3.34Å; Y394-G398 PolarHBondContact O-N 2.84Å; Y394-F399 HydrophobicContact CD1-CB 3.93Å; Y394-F399 HydrophobicContact CD1-CD2 4.21Å; Y394-F399 HydrophobicContact CE1-CD2 4.33Å; Y394-F399 WeakPolarHBondContact O-CA 3.24Å; Y394-F399 PolarHBondContact O-N 3.45Å; Y394-K402 HydrophobicContact CD1-CB 3.61Å; Y394-K402 HydrophobicContact CD1-CD 3.81Å; Y394-K402 HydrophobicContact CD1-CG 4.35Å; Y394-K402 HydrophobicContact CD2-CB 4.12Å; Y394-K402 HydrophobicContact CE1-CB 3.96Å; Y394-K402 HydrophobicContact CE1-CD 3.36Å; Y394-K402 HydrophobicContact CE1-CG 4.31Å; Y394-K402 HydrophobicContact CE2-CB 4.46Å; Y394-K402 HydrophobicContact CG-CB 3.7Å; Y394-F406 AromaticContact CD2-CD2 3.5Å; Y394-F406 HydrophobicContact CD2-CD2 3.5Å; Y394-F406 VanDerWaalsContact CD2-CD2 3.5Å; Y394-F406 AromaticContact CD2-CE2 3.72Å; Y394-F406 HydrophobicContact CD2-CE2 3.72Å; Y394-F406 AromaticContact CE2-CD2 3.51Å; Y394-F406 HydrophobicContact CE2-CD2 3.51Å; Y394-F406 AromaticContact CE2-CE2 3.19Å; Y394-F406 HydrophobicContact CE2-CE2 3.19Å; Y394-F406 HydrophobicContact CE2-CZ 4.16Å
395E94.8Very high93.5Very high93 Ų9349.1 Ų49.144%0.43524%0.235SC..Hα-helixtrans-68.7-43.3174.4-172.4166.9178.500111.6S391 E392 L393 I397 G398S391-E395 PolarHBondContact O-N 2.88Å; E392-E395 WeakPolarHBondContact O-CB 3.39Å; E392-E395 PolarHBondContact O-N 2.91Å; L393-E395 VanDerWaalsContact C-N 3.29Å; E395-I397 VanDerWaalsContact C-N 3.25Å; E395-I397 PolarHBondContact O-N 3.37Å; E395-G398 PolarHBondContact O-N 2.9Å
396L91.6Very high93.8Very high76 Ų7645.8 Ų45.840%0.39822%0.219SC..Hα-helixtrans-56.3-37.8176.6179.566.9000112.5R352 A355 E392 L393 G398R352-L396 HydrophobicContact CG-CD2 4.34Å; A355-L396 HydrophobicContact CB-CD2 3.9Å; A355-L396 HydrophobicContact CB-CG 3.87Å; E392-L396 WeakPolarHBondContact O-CB 3.4Å; E392-L396 PolarHBondContact O-N 3.37Å; L393-L396 PolarHBondContact O-N 3.39Å; L396-G398 VanDerWaalsContact C-N 3.33Å
397I93.9Very high94.1Very high15 Ų1545.9 Ų45.98%0.07722%0.22CC..THydrogen-bonded Turntrans-87.72.4177.968.8175.3000113.7V351 A355 A360 A363 L367 L393 Y394 E395 F399V351-I397 HydrophobicContact CG1-CG2 4.37Å; A355-I397 HydrophobicContact CB-CG2 3.9Å; A360-I397 HydrophobicContact CB-CB 4.14Å; A360-I397 WeakPolarHBondContact CB-O 3.5Å; A363-I397 HydrophobicContact CB-CD1 4.07Å; A363-I397 HydrophobicContact CB-CG2 3.8Å; L367-I397 HydrophobicContact CD1-CD1 4Å; L393-I397 PolarHBondContact O-N 2.95Å; Y394-I397 HydrophobicContact CD1-CD1 3.9Å; Y394-I397 HydrophobicContact CD1-CG1 4.46Å; Y394-I397 HydrophobicContact CE1-CD1 4.31Å; Y394-I397 WeakPolarHBondContact O-CG1 3.34Å; E395-I397 VanDerWaalsContact C-N 3.25Å; E395-I397 PolarHBondContact O-N 3.37Å; I397-F399 HydrophobicContact CD1-CB 4.5Å; I397-F399 HydrophobicContact CD1-CD2 4.12Å; I397-F399 HydrophobicContact CD1-CG 4.26Å; I397-F399 HydrophobicContact CG1-CB 4.24Å; I397-F399 HydrophobicContact CG1-CG 4.27Å
398G91.9Very high94.3Very high39 Ų3944.6 Ų44.640%0.40222%0.215SC..THydrogen-bonded Turntrans83.711.417700000115.6Y394 E395 L396 H400Y394-G398 PolarHBondContact O-N 2.84Å; E395-G398 PolarHBondContact O-N 2.9Å; L396-G398 VanDerWaalsContact C-N 3.33Å; G398-H400 PolarHBondContact O-CD2 3.39Å; G398-H400 PolarHBondContact O-N 2.89Å
399F94.6Very high94.3Very high70 Ų7045.2 Ų45.231%0.30722%0.218SC..  trans-91.967.1179.2-77.913.2000111.1A360 Y394 I397 R401 K402 S403A360-F399 HydrophobicContact CB-CE1 3.91Å; A360-F399 HydrophobicContact CB-CZ 4.23Å; Y394-F399 HydrophobicContact CD1-CB 3.93Å; Y394-F399 HydrophobicContact CD1-CD2 4.21Å; Y394-F399 HydrophobicContact CE1-CD2 4.33Å; Y394-F399 WeakPolarHBondContact O-CA 3.24Å; Y394-F399 PolarHBondContact O-N 3.45Å; I397-F399 HydrophobicContact CD1-CB 4.5Å; I397-F399 HydrophobicContact CD1-CD2 4.12Å; I397-F399 HydrophobicContact CD1-CG 4.26Å; I397-F399 HydrophobicContact CG1-CB 4.24Å; I397-F399 HydrophobicContact CG1-CG 4.27Å; F399-R401 VanDerWaalsContact C-N 3.32Å; F399-R401 PolarHBondContact O-N 3.06Å; F399-K402 HydrophobicContact CB-CB 4.36Å; F399-K402 HydrophobicContact CD2-CD 4.06Å; F399-K402 PolarHBondContact O-N 3.41Å; F399-K402 VanDerWaalsContact O-N 3.08Å; F399-S403 PolarHBondContact O-N 2.82Å
400H93.9Very high94.5Very high111 Ų11144.5 Ų44.551%0.51421%0.214SC..Hα-helixtrans-55.8-36.8-171.8-58.4-65.7000114.9G398 S403 A404G398-H400 PolarHBondContact O-CD2 3.39Å; G398-H400 PolarHBondContact O-N 2.89Å; H400-S403 WeakPolarHBondContact O-CB 3.26Å; H400-S403 PolarHBondContact O-N 3.49Å; H400-A404 WeakPolarHBondContact O-CB 3.47Å; H400-A404 PolarHBondContact O-N 3.5Å
401R93.4Very high94.7Very high112 Ų11244.1 Ų44.142%0.42321%0.212SC..Hα-helixtrans-68.6-39.3178.2-171.4-179.5-179.5-175.7-0.1112.7F399 F405 Y438F399-R401 VanDerWaalsContact C-N 3.32Å; F399-R401 PolarHBondContact O-N 3.06Å; R401-F405 WeakPolarHBondContact O-CB 3.27Å; R401-F405 PolarHBondContact O-N 3.31Å; R401-Y438 HydrophobicContact CG-CD1 4.3Å; R401-Y438 HydrophobicContact CG-CE1 4.16Å
402K94.4Very high94.6Very high68 Ų6847.2 Ų47.230%0.29623%0.227SC..Hα-helixtrans-70.3-37.6175.6-68.4-168.4-173.8-177.90110.3S364 Y394 F399 F405 F406S364-K402 PolarHBondContact OG-NZ 3.43Å; Y394-K402 HydrophobicContact CD1-CB 3.61Å; Y394-K402 HydrophobicContact CD1-CD 3.81Å; Y394-K402 HydrophobicContact CD1-CG 4.35Å; Y394-K402 HydrophobicContact CD2-CB 4.12Å; Y394-K402 HydrophobicContact CE1-CB 3.96Å; Y394-K402 HydrophobicContact CE1-CD 3.36Å; Y394-K402 HydrophobicContact CE1-CG 4.31Å; Y394-K402 HydrophobicContact CE2-CB 4.46Å; Y394-K402 HydrophobicContact CG-CB 3.7Å; F399-K402 HydrophobicContact CB-CB 4.36Å; F399-K402 HydrophobicContact CD2-CD 4.06Å; F399-K402 PolarHBondContact O-N 3.41Å; F399-K402 VanDerWaalsContact O-N 3.08Å; K402-F405 WeakPolarHBondContact O-CB 3.5Å; K402-F405 PolarHBondContact O-N 3.29Å; K402-F406 VanDerWaalsContact O-CD2 3.3Å; K402-F406 WeakPolarHBondContact O-CD2 3.47Å; K402-F406 PolarHBondContact O-N 3Å
403S95.9Very high94.6Very high7 Ų744.4 Ų44.45%0.04921%0.214CC..Hα-helixtrans-56.1-55.21711720000111.3S391 F399 H400 F405 F406 K407S391-S403 VanDerWaalsContact CB-O 3.29Å; S391-S403 WeakPolarHBondContact CB-O 3.41Å; S391-S403 VanDerWaalsContact O-CB 3.23Å; S391-S403 WeakPolarHBondContact O-CB 3.31Å; S391-S403 PolarHBondContact O-OG 3.44Å; S391-S403 PolarHBondContact OG-O 2.98Å; S391-S403 VanDerWaalsContact OG-O 3.07Å; S391-S403 PolarHBondContact OG-OG 3.37Å; F399-S403 PolarHBondContact O-N 2.82Å; H400-S403 WeakPolarHBondContact O-CB 3.26Å; H400-S403 PolarHBondContact O-N 3.49Å; S403-F405 VanDerWaalsContact C-N 3.26Å; S403-F405 PolarHBondContact O-N 3.3Å; S403-F406 PolarHBondContact O-N 2.95Å; S403-F406 VanDerWaalsContact O-N 3.15Å; S403-K407 PolarHBondContact O-N 3.29Å
404A96.1Very high94.6Very high2 Ų244.6 Ų44.62%0.01722%0.216CC..Hα-helixtrans-58.3-36.417800000113H400 K407 R408 T434 Y438H400-A404 WeakPolarHBondContact O-CB 3.47Å; H400-A404 PolarHBondContact O-N 3.5Å; A404-K407 PolarHBondContact O-N 2.9Å; A404-R408 VanDerWaalsContact O-CB 3.26Å; A404-R408 WeakPolarHBondContact O-CB 3.49Å; A404-R408 PolarHBondContact O-N 3.31Å; A404-T434 WeakPolarHBondContact O-CG2 3.49Å; A404-Y438 HydrophobicContact CB-CD2 4.1Å; A404-Y438 HydrophobicContact CB-CE1 4.18Å; A404-Y438 HydrophobicContact CB-CE2 3.77Å
405F95.6Very high94.4Very high102 Ų10245.6 Ų45.645%0.44722%0.222SC..Hα-helixtrans-60.1-53173.7174.1-95000112.3R401 K402 S403 K407 R408 V409 Y438R401-F405 WeakPolarHBondContact O-CB 3.27Å; R401-F405 PolarHBondContact O-N 3.31Å; K402-F405 WeakPolarHBondContact O-CB 3.5Å; K402-F405 PolarHBondContact O-N 3.29Å; S403-F405 VanDerWaalsContact C-N 3.26Å; S403-F405 PolarHBondContact O-N 3.3Å; F405-K407 VanDerWaalsContact C-N 3.32Å; F405-K407 PolarHBondContact O-N 2.68Å; F405-R408 WeakPolarHBondContact O-CB 3.25Å; F405-R408 PolarHBondContact O-N 2.63Å; F405-V409 HydrophobicContact CD1-CG2 4.41Å; F405-V409 HydrophobicContact CE1-CG2 4.01Å; F405-V409 HydrophobicContact CE2-CG2 4.37Å; F405-V409 HydrophobicContact CZ-CG2 3.99Å; F405-V409 WeakPolarHBondContact O-CG2 3.44Å; F405-V409 PolarHBondContact O-N 3.32Å; F405-Y438 VanDerWaalsContact CA-OH 3.26Å; F405-Y438 WeakPolarHBondContact CA-OH 3.44Å; F405-Y438 PolarHBondContact N-OH 2.81Å
406F95.8Very high94.3Very high22 Ų2241.4 Ų41.410%0.09620%0.204CC..Hα-helixtrans-67.1-34.6-179.9-78-70.4000112.3V371 Y387 L390 Y394 K402 S403 V409 A410V371-F406 HydrophobicContact CG2-CE1 3.98Å; V371-F406 HydrophobicContact CG2-CZ 3.87Å; Y387-F406 AromaticContact CD1-CD1 3.73Å; Y387-F406 HydrophobicContact CD1-CD1 3.73Å; Y387-F406 HydrophobicContact CD1-CE1 4.18Å; Y387-F406 HydrophobicContact CE1-CD1 4.31Å; Y387-F406 HydrophobicContact CE1-CE1 4.35Å; L390-F406 HydrophobicContact CB-CB 4.26Å; L390-F406 HydrophobicContact CB-CD1 4.17Å; L390-F406 HydrophobicContact CB-CD2 4.41Å; L390-F406 HydrophobicContact CB-CG 4.02Å; L390-F406 HydrophobicContact CD1-CD1 4.07Å; L390-F406 HydrophobicContact CD1-CE1 3.99Å; Y394-F406 AromaticContact CD2-CD2 3.5Å; Y394-F406 HydrophobicContact CD2-CD2 3.5Å; Y394-F406 VanDerWaalsContact CD2-CD2 3.5Å; Y394-F406 AromaticContact CD2-CE2 3.72Å; Y394-F406 HydrophobicContact CD2-CE2 3.72Å; Y394-F406 AromaticContact CE2-CD2 3.51Å; Y394-F406 HydrophobicContact CE2-CD2 3.51Å; Y394-F406 AromaticContact CE2-CE2 3.19Å; Y394-F406 HydrophobicContact CE2-CE2 3.19Å; Y394-F406 HydrophobicContact CE2-CZ 4.16Å; K402-F406 VanDerWaalsContact O-CD2 3.3Å; K402-F406 WeakPolarHBondContact O-CD2 3.47Å; K402-F406 PolarHBondContact O-N 3Å; S403-F406 PolarHBondContact O-N 2.95Å; S403-F406 VanDerWaalsContact O-N 3.15Å; F406-V409 PolarHBondContact O-N 3.49Å; F406-A410 PolarHBondContact O-N 3.07Å
407K96.6Very high94.1Very high27 Ų2744.5 Ų44.512%0.11723%0.229CC..Hα-helixtrans-64.7-39.4173.7-167.2166-69.5-166.20112.3S391 S403 A404 F405 A410 A411 L430 E433 T434S391-K407 WeakPolarHBondContact OG-CB 3.03Å; S391-K407 VanDerWaalsContact OG-CE 3.29Å; S391-K407 WeakPolarHBondContact OG-CE 3.37Å; S403-K407 PolarHBondContact O-N 3.29Å; A404-K407 PolarHBondContact O-N 2.9Å; F405-K407 VanDerWaalsContact C-N 3.32Å; F405-K407 PolarHBondContact O-N 2.68Å; K407-A410 WeakPolarHBondContact O-CB 3.41Å; K407-A410 PolarHBondContact O-N 3.48Å; K407-A411 PolarHBondContact O-N 3.11Å; K407-L430 HydrophobicContact CD-CD2 4.48Å; K407-L430 HydrophobicContact CG-CB 4.46Å; K407-L430 HydrophobicContact CG-CD2 4.19Å; K407-E433 HydrophobicContact CD-CB 3.47Å; K407-E433 VanDerWaalsContact CD-CB 3.47Å; K407-E433 WeakPolarHBondContact CD-OE2 3.26Å; K407-E433 WeakPolarHBondContact CE-OE2 3.37Å; K407-E433 IonicContact NZ-OE2 3.69Å; K407-E433 PolarHBondContact NZ-OE2 3.15Å; K407-T434 HydrophobicContact CB-CG2 3.82Å; K407-T434 HydrophobicContact CD-CG2 4.32Å; K407-T434 HydrophobicContact CG-CG2 3.93Å
408R96.2Very high93.7Very high34 Ų3448.8 Ų48.813%0.12826%0.256CS..Hα-helixtrans-64.9-39.4173.1-178177.9174.7-138.64.7111.8A404 F405 A410 A411 M412 L431 T434 E465A404-R408 VanDerWaalsContact O-CB 3.26Å; A404-R408 WeakPolarHBondContact O-CB 3.49Å; A404-R408 PolarHBondContact O-N 3.31Å; F405-R408 WeakPolarHBondContact O-CB 3.25Å; F405-R408 PolarHBondContact O-N 2.63Å; R408-A410 VanDerWaalsContact C-N 3.35Å; R408-A411 WeakPolarHBondContact O-CB 3.23Å; R408-A411 PolarHBondContact O-N 2.97Å; R408-M412 WeakPolarHBondContact O-CG 3.33Å; R408-M412 PolarHBondContact O-N 3.37Å; R408-L431 HydrophobicContact CG-CD2 3.96Å; R408-T434 HydrophobicContact CB-CG2 4.06Å; R408-E465 IonicContact CZ-OE1 3.97Å; R408-E465 IonicContact CZ-OE2 3.19Å; R408-E465 IonicContact NE-OE1 3.71Å; R408-E465 IonicContact NE-OE2 2.8Å; R408-E465 PolarHBondContact NE-OE2 3.37Å; R408-E465 IonicContact NH2-OE1 3.06Å; R408-E465 PolarHBondContact NH2-OE1 3.44Å; R408-E465 IonicContact NH2-OE2 2.78Å; R408-E465 PolarHBondContact NH2-OE2 2.89Å
409V95.1Very high93.4Very high38 Ų3848.6 Ų48.623%0.2325%0.245CC..Hα-helixtrans-62.9-42.5173.5176.20000110.7Y387 F405 F406 A411 M412 Q413Y387-V409 HydrophobicContact CD1-CG1 4.13Å; Y387-V409 HydrophobicContact CD2-CG1 3.69Å; Y387-V409 HydrophobicContact CE1-CG1 4.14Å; Y387-V409 HydrophobicContact CE2-CG1 3.71Å; Y387-V409 HydrophobicContact CG-CB 4.48Å; Y387-V409 HydrophobicContact CG-CG1 3.91Å; F405-V409 HydrophobicContact CD1-CG2 4.41Å; F405-V409 HydrophobicContact CE1-CG2 4.01Å; F405-V409 HydrophobicContact CE2-CG2 4.37Å; F405-V409 HydrophobicContact CZ-CG2 3.99Å; F405-V409 WeakPolarHBondContact O-CG2 3.44Å; F405-V409 PolarHBondContact O-N 3.32Å; F406-V409 PolarHBondContact O-N 3.49Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 2.71Å; V409-M412 PolarHBondContact O-N 3.26Å; V409-Q413 PolarHBondContact O-N 2.9Å
410A95.1Very high92.8Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-60.1-41.7173.100000112.1I384 F406 K407 R408 M412 Q413 C414 L430I384-A410 HydrophobicContact CG2-CB 4.47Å; F406-A410 PolarHBondContact O-N 3.07Å; K407-A410 WeakPolarHBondContact O-CB 3.41Å; K407-A410 PolarHBondContact O-N 3.48Å; R408-A410 VanDerWaalsContact C-N 3.35Å; A410-M412 PolarHBondContact O-N 2.98Å; A410-Q413 PolarHBondContact O-N 2.85Å; A410-C414 PolarHBondContact O-N 3.39Å; A410-C414 PolarHBondContact O-SG 3.09Å; A410-L430 HydrophobicContact CB-CD1 4.38Å
411A95.6Very high92.5Very high0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-60.4-45175.700000112.4K407 R408 V409 Q413 C414 C427 L430 L431K407-A411 PolarHBondContact O-N 3.11Å; R408-A411 WeakPolarHBondContact O-CB 3.23Å; R408-A411 PolarHBondContact O-N 2.97Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 2.71Å; A411-Q413 VanDerWaalsContact C-N 3.31Å; A411-Q413 PolarHBondContact O-N 3.27Å; A411-C414 VanDerWaalsContact O-CB 3.31Å; A411-C414 WeakPolarHBondContact O-CB 3.24Å; A411-C414 PolarHBondContact O-N 2.93Å; A411-C427 WeakPolarHBondContact O-CB 3.35Å; A411-C427 PolarHBondContact O-SG 3.37Å; A411-L430 HydrophobicContact CB-CB 3.58Å; A411-L430 HydrophobicContact CB-CD1 4.31Å; A411-L431 HydrophobicContact CB-CD2 3.97Å; A411-L431 HydrophobicContact CB-CG 3.94Å
412M93.9Very high92.3Very high64 Ų6450.9 Ų50.932%0.31528%0.279SS..Hα-helixtrans-66.4-33.5177.6-65.8-63.713700112.1R408 V409 A410 C414 V415 A416 L431 E465R408-M412 WeakPolarHBondContact O-CG 3.33Å; R408-M412 PolarHBondContact O-N 3.37Å; V409-M412 PolarHBondContact O-N 3.26Å; A410-M412 PolarHBondContact O-N 2.98Å; M412-C414 VanDerWaalsContact C-N 3.28Å; M412-C414 PolarHBondContact O-N 2.92Å; M412-V415 CarbonylContact O-C 3.33Å; M412-V415 VanDerWaalsContact O-CG2 3.22Å; M412-V415 WeakPolarHBondContact O-CG2 3.35Å; M412-V415 PolarHBondContact O-N 3.43Å; M412-V415 VanDerWaalsContact O-N 3.11Å; M412-A416 PolarHBondContact O-N 3.42Å; M412-L431 HydrophobicContact CE-CD1 4.03Å; M412-L431 HydrophobicContact CE-CD2 3.71Å; M412-L431 HydrophobicContact CE-CG 4.35Å; M412-E465 HydrophobicContact CE-CB 4.09Å; M412-E465 HydrophobicContact CE-CG 3.92Å
413Q93.4Very high92.1Very high42 Ų4249 Ų4920%0.19628%0.28CS..Hα-helixtrans-67.9-25175.3-77-62.885.100113.8E380 I384 Y387 V409 A410 A411 V415 A416 I419E380-Q413 PolarHBondContact OE2-NE2 2.68Å; I384-Q413 HydrophobicContact CD1-CB 4.48Å; I384-Q413 HydrophobicContact CG1-CB 3.63Å; Y387-Q413 HydrophobicContact CD2-CG 4.31Å; Y387-Q413 HydrophobicContact CE2-CG 4.26Å; V409-Q413 PolarHBondContact O-N 2.9Å; A410-Q413 PolarHBondContact O-N 2.85Å; A411-Q413 VanDerWaalsContact C-N 3.31Å; A411-Q413 PolarHBondContact O-N 3.27Å; Q413-V415 PolarHBondContact O-N 3.08Å; Q413-V415 VanDerWaalsContact O-N 3.09Å; Q413-A416 PolarHBondContact O-N 3.4Å; Q413-I419 WeakPolarHBondContact O-CD1 3.03Å
414C92.6Very high92Very high11 Ų1150.6 Ų50.67%0.07429%0.285CS..THydrogen-bonded Turntrans-61.9-17.1171.8-610000113.1I384 A410 A411 M412 G423 C427I384-C414 HydrophobicContact CD1-CB 4.45Å; A410-C414 PolarHBondContact O-N 3.39Å; A410-C414 PolarHBondContact O-SG 3.09Å; A411-C414 VanDerWaalsContact O-CB 3.31Å; A411-C414 WeakPolarHBondContact O-CB 3.24Å; A411-C414 PolarHBondContact O-N 2.93Å; M412-C414 VanDerWaalsContact C-N 3.28Å; M412-C414 PolarHBondContact O-N 2.92Å; C414-G423 PolarHBondContact O-N 3.25Å; C414-C427 HydrophobicContact CB-CB 4.14Å
415V93.2Very high91.8Very high24 Ų2460 Ų6015%0.14532%0.32CS..THydrogen-bonded Turntrans-128.225.2-176-61.80000111.8M412 Q413 P422 W424 C427M412-V415 CarbonylContact O-C 3.33Å; M412-V415 VanDerWaalsContact O-CG2 3.22Å; M412-V415 WeakPolarHBondContact O-CG2 3.35Å; M412-V415 PolarHBondContact O-N 3.43Å; M412-V415 VanDerWaalsContact O-N 3.11Å; Q413-V415 PolarHBondContact O-N 3.08Å; Q413-V415 VanDerWaalsContact O-N 3.09Å; V415-P422 HydrophobicContact CB-CB 4.23Å; V415-P422 HydrophobicContact CG1-CB 4.05Å; V415-W424 HydrophobicContact CB-CD2 4.47Å; V415-W424 HydrophobicContact CB-CE3 4.38Å; V415-W424 HydrophobicContact CB-CH2 3.76Å; V415-W424 HydrophobicContact CB-CZ2 3.92Å; V415-W424 HydrophobicContact CB-CZ3 4.04Å; V415-W424 HydrophobicContact CG1-CD2 3.61Å; V415-W424 HydrophobicContact CG1-CE3 3.61Å; V415-W424 HydrophobicContact CG1-CG 4.16Å; V415-W424 HydrophobicContact CG1-CH2 3.91Å; V415-W424 HydrophobicContact CG1-CZ2 3.97Å; V415-W424 HydrophobicContact CG1-CZ3 3.77Å; V415-W424 HydrophobicContact CG2-CH2 3.88Å; V415-W424 HydrophobicContact CG2-CZ3 3.95Å; V415-C427 HydrophobicContact CG1-CB 3.84Å
416A90.8Very high91.6Very high6 Ų657.5 Ų57.55%0.0532%0.318CS..  trans-57.7143.1176.500000110.8M412 Q413 T418 I419M412-A416 PolarHBondContact O-N 3.42Å; Q413-A416 PolarHBondContact O-N 3.4Å; A416-T418 PolarHBondContact O-N 3.01Å; A416-I419 HydrophobicContact CB-CD1 4.23Å; A416-I419 HydrophobicContact CB-CG1 4.33Å; A416-I419 PolarHBondContact O-N 3.39Å
417P87.2Confident91.6Very high141 Ų14156.5 Ų56.592%0.91631%0.313SS*.THydrogen-bonded Turntrans-60.1-17.8-179.1-24.333.7000114.8I419P417-I419 VanDerWaalsContact C-N 3.32Å
418T86.4Confident91.5Very high105 Ų10555.5 Ų55.564%0.64431%0.309SS*.THydrogen-bonded Turntrans-77.4-14.6178.446.70000113.5E380 A416E380-T418 PolarHBondContact OE1-OG1 3.32Å; A416-T418 PolarHBondContact O-N 3.01Å
419I86.4Confident91.4Very high35 Ų3559.1 Ų59.118%0.17933%0.326CS..  trans-90125.7-178.4-58.4175.8000109.5E380 Q413 A416 P417 E421E380-I419 HydrophobicContact CB-CD1 3.97Å; E380-I419 HydrophobicContact CB-CG1 4.09Å; E380-I419 HydrophobicContact CG-CD1 4.28Å; E380-I419 HydrophobicContact CG-CG1 3.94Å; Q413-I419 WeakPolarHBondContact O-CD1 3.03Å; A416-I419 HydrophobicContact CB-CD1 4.23Å; A416-I419 HydrophobicContact CB-CG1 4.33Å; A416-I419 PolarHBondContact O-N 3.39Å; P417-I419 VanDerWaalsContact C-N 3.32Å; I419-E421 WeakPolarHBondContact CG2-O 3.42Å
420S82.1Confident91.4Very high122 Ų12258.6 Ų58.685%0.85332%0.321SS*.SBendtrans-64.7-37.8178.949.40000113P422S420-P422 WeakPolarHBondContact O-CD 3.34Å
421E85.9Confident91.5Very high167 Ų16758.6 Ų58.678%0.7832%0.321SS*.SBendtrans-120.990.7177.6-66.2-169.3171.900111.3I419 G423I419-E421 WeakPolarHBondContact CG2-O 3.42Å; E421-G423 PolarHBondContact O-N 3.11Å
422P89.1Confident91.4Very high51 Ų5159.5 Ų59.533%0.33133%0.326SS..  trans-62.5128.4-177.7-26.235.6000113.4V415 S420 W424V415-P422 HydrophobicContact CB-CB 4.23Å; V415-P422 HydrophobicContact CG1-CB 4.05Å; S420-P422 WeakPolarHBondContact O-CD 3.34Å; P422-W424 VanDerWaalsContact C-N 3.29Å; P422-W424 PolarHBondContact O-N 3.43Å
423G91.6Very high91.4Very high30 Ų3060.5 Ų60.531%0.30933%0.33SS..  trans-78.961.5-179.400000114C414 E421 R425 A426 C427C414-G423 PolarHBondContact O-N 3.25Å; E421-G423 PolarHBondContact O-N 3.11Å; G423-R425 VanDerWaalsContact C-N 3.27Å; G423-R425 PolarHBondContact O-N 2.88Å; G423-A426 PolarHBondContact O-N 3.34Å; G423-C427 PolarHBondContact O-N 3.05Å
424W93.6Very high91.5Very high40 Ų4058.5 Ų58.515%0.15232%0.321CS..Hα-helixtrans-57.7-33.8-175.5-70.8104.8000114.4V415 P422 C427 Y428 Y468 A469 R472 M473V415-W424 HydrophobicContact CB-CD2 4.47Å; V415-W424 HydrophobicContact CB-CE3 4.38Å; V415-W424 HydrophobicContact CB-CH2 3.76Å; V415-W424 HydrophobicContact CB-CZ2 3.92Å; V415-W424 HydrophobicContact CB-CZ3 4.04Å; V415-W424 HydrophobicContact CG1-CD2 3.61Å; V415-W424 HydrophobicContact CG1-CE3 3.61Å; V415-W424 HydrophobicContact CG1-CG 4.16Å; V415-W424 HydrophobicContact CG1-CH2 3.91Å; V415-W424 HydrophobicContact CG1-CZ2 3.97Å; V415-W424 HydrophobicContact CG1-CZ3 3.77Å; V415-W424 HydrophobicContact CG2-CH2 3.88Å; V415-W424 HydrophobicContact CG2-CZ3 3.95Å; P422-W424 VanDerWaalsContact C-N 3.29Å; P422-W424 PolarHBondContact O-N 3.43Å; W424-C427 PolarHBondContact O-N 3.04Å; W424-Y428 WeakPolarHBondContact O-CB 3.39Å; W424-Y428 PolarHBondContact O-N 3.14Å; W424-Y468 HydrophobicContact CH2-CD1 4.02Å; W424-Y468 AromaticContact CH2-CE1 3.48Å; W424-Y468 HydrophobicContact CH2-CE1 3.48Å; W424-Y468 VanDerWaalsContact CH2-CE1 3.48Å; W424-Y468 HydrophobicContact CZ2-CE1 4.35Å; W424-Y468 AromaticContact CZ3-CD1 3.92Å; W424-Y468 HydrophobicContact CZ3-CD1 3.92Å; W424-Y468 AromaticContact CZ3-CE1 3.88Å; W424-Y468 HydrophobicContact CZ3-CE1 3.88Å; W424-A469 HydrophobicContact CE3-CB 4.18Å; W424-R472 HydrophobicContact CB-CB 4.4Å; W424-R472 HydrophobicContact CD2-CB 3.28Å; W424-R472 HydrophobicContact CD2-CG 3.93Å; W424-R472 VanDerWaalsContact CE2-CB 3.47Å; W424-R472 HydrophobicContact CE3-CB 3.68Å; W424-R472 HydrophobicContact CE3-CG 4.06Å; W424-R472 HydrophobicContact CG-CB 3.6Å; W424-R472 HydrophobicContact CH2-CB 4.47Å; W424-R472 HydrophobicContact CH2-CG 4.05Å; W424-R472 HydrophobicContact CZ2-CB 4.1Å; W424-R472 HydrophobicContact CZ2-CG 3.84Å; W424-R472 HydrophobicContact CZ3-CB 4.26Å; W424-R472 HydrophobicContact CZ3-CG 4.12Å; W424-M473 HydrophobicContact CB-CG 3.73Å
425R92.4Very high91.5Very high200 Ų20058.7 Ų58.776%0.75532%0.321SS*.Hα-helixtrans-65-43.5175.6-65.9-174.9179.8140.2-0.1112G423 K429 M473G423-R425 VanDerWaalsContact C-N 3.27Å; G423-R425 PolarHBondContact O-N 2.88Å; R425-K429 PolarHBondContact O-N 3.36Å; R425-K429 VanDerWaalsContact O-N 3.08Å; R425-M473 HydrophobicContact CG-CE 4.21Å; R425-M473 HydrophobicContact CG-CG 4.33Å
426A91.7Very high91.5Very high48 Ų4862.2 Ų62.240%0.39734%0.344SS..Hα-helixtrans-67.4-42176.800000111.1G423 K429 L430G423-A426 PolarHBondContact O-N 3.34Å; A426-K429 PolarHBondContact O-N 3.24Å; A426-L430 WeakPolarHBondContact O-CB 3.4Å; A426-L430 WeakPolarHBondContact O-CG 3.49Å; A426-L430 PolarHBondContact O-N 3.48Å
427C95Very high91.6Very high1 Ų162.6 Ų62.61%0.00735%0.349CS..Hα-helixtrans-55.6-52.6173.6177.30000111.5A411 C414 V415 G423 W424 K429 L430 L431A411-C427 WeakPolarHBondContact O-CB 3.35Å; A411-C427 PolarHBondContact O-SG 3.37Å; C414-C427 HydrophobicContact CB-CB 4.14Å; V415-C427 HydrophobicContact CG1-CB 3.84Å; G423-C427 PolarHBondContact O-N 3.05Å; W424-C427 PolarHBondContact O-N 3.04Å; C427-K429 PolarHBondContact O-N 3.44Å; C427-L430 PolarHBondContact O-N 2.96Å; C427-L431 VanDerWaalsContact O-CG 3.3Å; C427-L431 WeakPolarHBondContact O-CG 3.11Å; C427-L431 PolarHBondContact O-N 3.2Å
428Y95.3Very high91.9Very high6 Ų656.2 Ų56.22%0.02431%0.306CS..Hα-helixtrans-59.8-44.4179-177.9-95.3000112.6W424 L431 L432 L466 A469 M473 L478 H482 L522W424-Y428 WeakPolarHBondContact O-CB 3.39Å; W424-Y428 PolarHBondContact O-N 3.14Å; Y428-L431 PolarHBondContact O-N 3Å; Y428-L432 HydrophobicContact CD1-CD1 3.97Å; Y428-L432 HydrophobicContact CD1-CG 4.33Å; Y428-L432 HydrophobicContact CE1-CD1 3.5Å; Y428-L432 VanDerWaalsContact CE1-CD1 3.5Å; Y428-L432 HydrophobicContact CE1-CD2 4.43Å; Y428-L432 HydrophobicContact CE1-CG 4.03Å; Y428-L432 WeakPolarHBondContact O-CG 3.12Å; Y428-L432 PolarHBondContact O-N 3.42Å; Y428-L466 HydrophobicContact CD2-CD2 3.8Å; Y428-L466 HydrophobicContact CE2-CB 4.46Å; Y428-L466 HydrophobicContact CE2-CD2 3.75Å; Y428-A469 HydrophobicContact CD2-CB 4.1Å; Y428-M473 WeakPolarHBondContact CB-SD 3.43Å; Y428-M473 HydrophobicContact CD1-CE 4.16Å; Y428-M473 HydrophobicContact CD1-SD 4.12Å; Y428-M473 HydrophobicContact CD2-SD 4.06Å; Y428-M473 HydrophobicContact CG-CE 4.24Å; Y428-M473 HydrophobicContact CG-SD 3.58Å; Y428-M473 VanDerWaalsContact CG-SD 3.58Å; Y428-L478 HydrophobicContact CE1-CD1 4.36Å; Y428-H482 AromaticContact CE2-NE2 3.46Å; Y428-H482 WeakPolarHBondContact CE2-NE2 3.5Å; Y428-H482 AromaticContact CZ-NE2 3.57Å; Y428-H482 PolarHBondContact OH-NE2 3.1Å; Y428-L522 HydrophobicContact CE1-CD1 3.91Å; Y428-L522 HydrophobicContact CE1-CD2 4.28Å
429K94Very high92.1Very high110 Ų11054.4 Ų54.448%0.47830%0.298SS..Hα-helixtrans-58.9-49.5176.6-176.3-176175-174.60111.8R425 A426 C427 L431 L432 E433R425-K429 PolarHBondContact O-N 3.36Å; R425-K429 VanDerWaalsContact O-N 3.08Å; A426-K429 PolarHBondContact O-N 3.24Å; C427-K429 PolarHBondContact O-N 3.44Å; K429-L431 VanDerWaalsContact C-N 3.3Å; K429-L431 PolarHBondContact O-N 3.5Å; K429-L432 WeakPolarHBondContact O-CB 3.43Å; K429-L432 PolarHBondContact O-N 3.26Å; K429-E433 PolarHBondContact O-N 3.15Å
430L94.8Very high92.3Very high27 Ų2753.1 Ų53.114%0.14129%0.291CS..Hα-helixtrans-63.3-35.9178.9-70.8173.2000111.9K407 A410 A411 A426 C427 E433 T434K407-L430 HydrophobicContact CD-CD2 4.48Å; K407-L430 HydrophobicContact CG-CB 4.46Å; K407-L430 HydrophobicContact CG-CD2 4.19Å; A410-L430 HydrophobicContact CB-CD1 4.38Å; A411-L430 HydrophobicContact CB-CB 3.58Å; A411-L430 HydrophobicContact CB-CD1 4.31Å; A426-L430 WeakPolarHBondContact O-CB 3.4Å; A426-L430 WeakPolarHBondContact O-CG 3.49Å; A426-L430 PolarHBondContact O-N 3.48Å; C427-L430 PolarHBondContact O-N 2.96Å; L430-E433 PolarHBondContact O-N 3.05Å; L430-T434 WeakPolarHBondContact O-CG2 3.43Å; L430-T434 PolarHBondContact O-N 3.08Å
431L96Very high92.7Very high0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-63.1-41.4174.1-71173.7000112.4R408 A411 M412 C427 Y428 K429 E433 T434 L462 E465 L466 A469R408-L431 HydrophobicContact CG-CD2 3.96Å; A411-L431 HydrophobicContact CB-CD2 3.97Å; A411-L431 HydrophobicContact CB-CG 3.94Å; M412-L431 HydrophobicContact CE-CD1 4.03Å; M412-L431 HydrophobicContact CE-CD2 3.71Å; M412-L431 HydrophobicContact CE-CG 4.35Å; C427-L431 VanDerWaalsContact O-CG 3.3Å; C427-L431 WeakPolarHBondContact O-CG 3.11Å; C427-L431 PolarHBondContact O-N 3.2Å; Y428-L431 PolarHBondContact O-N 3Å; K429-L431 VanDerWaalsContact C-N 3.3Å; K429-L431 PolarHBondContact O-N 3.5Å; L431-E433 VanDerWaalsContact C-N 3.3Å; L431-E433 PolarHBondContact O-N 2.62Å; L431-T434 WeakPolarHBondContact O-CB 3.46Å; L431-T434 PolarHBondContact O-N 3.13Å; L431-T434 PolarHBondContact O-OG1 3.15Å; L431-L462 HydrophobicContact CB-CD1 4.24Å; L431-L462 HydrophobicContact CD2-CD1 3.68Å; L431-L462 HydrophobicContact CG-CD1 4.47Å; L431-E465 HydrophobicContact CD1-CB 4.1Å; L431-L466 HydrophobicContact CB-CD2 3.64Å; L431-L466 HydrophobicContact CB-CG 4.35Å; L431-L466 HydrophobicContact CD1-CD2 4.34Å; L431-A469 HydrophobicContact CD1-CB 4.31Å
432L94.4Very high92.9Very high19 Ų1941.7 Ų41.710%0.09923%0.229CC..Hα-helixtrans-60.4-40.2175-69.2178.8000112Y428 K429 T434 L435 L442 L466 L522 L526Y428-L432 HydrophobicContact CD1-CD1 3.97Å; Y428-L432 HydrophobicContact CD1-CG 4.33Å; Y428-L432 HydrophobicContact CE1-CD1 3.5Å; Y428-L432 VanDerWaalsContact CE1-CD1 3.5Å; Y428-L432 HydrophobicContact CE1-CD2 4.43Å; Y428-L432 HydrophobicContact CE1-CG 4.03Å; Y428-L432 WeakPolarHBondContact O-CG 3.12Å; Y428-L432 PolarHBondContact O-N 3.42Å; K429-L432 WeakPolarHBondContact O-CB 3.43Å; K429-L432 PolarHBondContact O-N 3.26Å; L432-T434 PolarHBondContact O-N 3.44Å; L432-T434 VanDerWaalsContact O-N 3.16Å; L432-L435 HydrophobicContact CB-CD1 4.37Å; L432-L435 HydrophobicContact CD2-CD1 3.81Å; L432-L435 WeakPolarHBondContact O-CB 3.45Å; L432-L435 VanDerWaalsContact O-CD1 3.31Å; L432-L435 WeakPolarHBondContact O-CD1 3.3Å; L432-L435 WeakPolarHBondContact O-CG 3.41Å; L432-L435 PolarHBondContact O-N 2.86Å; L432-L442 HydrophobicContact CD2-CD1 3.59Å; L432-L466 HydrophobicContact CD2-CD1 4.34Å; L432-L466 HydrophobicContact CD2-CD2 3.89Å; L432-L466 HydrophobicContact CG-CD2 4.24Å; L432-L522 HydrophobicContact CD1-CD1 3.63Å; L432-L526 HydrophobicContact CD1-CD2 4Å
433E93.6Very high92.9Very high85 Ų8541.7 Ų41.740%0.39723%0.226SC..Hα-helixtrans-65.9-15.7176.8-69178.6-156.800113.3K407 K429 L430 L431K407-E433 HydrophobicContact CD-CB 3.47Å; K407-E433 VanDerWaalsContact CD-CB 3.47Å; K407-E433 WeakPolarHBondContact CD-OE2 3.26Å; K407-E433 WeakPolarHBondContact CE-OE2 3.37Å; K407-E433 IonicContact NZ-OE2 3.69Å; K407-E433 PolarHBondContact NZ-OE2 3.15Å; K429-E433 PolarHBondContact O-N 3.15Å; L430-E433 PolarHBondContact O-N 3.05Å; L431-E433 VanDerWaalsContact C-N 3.3Å; L431-E433 PolarHBondContact O-N 2.62Å
434T95.9Very high92.6Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-83.1-17.4176.875.10000114A404 K407 R408 L430 L431 L432 G437 Y438 L462A404-T434 WeakPolarHBondContact O-CG2 3.49Å; K407-T434 HydrophobicContact CB-CG2 3.82Å; K407-T434 HydrophobicContact CD-CG2 4.32Å; K407-T434 HydrophobicContact CG-CG2 3.93Å; R408-T434 HydrophobicContact CB-CG2 4.06Å; L430-T434 WeakPolarHBondContact O-CG2 3.43Å; L430-T434 PolarHBondContact O-N 3.08Å; L431-T434 WeakPolarHBondContact O-CB 3.46Å; L431-T434 PolarHBondContact O-N 3.13Å; L431-T434 PolarHBondContact O-OG1 3.15Å; L432-T434 PolarHBondContact O-N 3.44Å; L432-T434 VanDerWaalsContact O-N 3.16Å; T434-G437 PolarHBondContact O-N 3.37Å; T434-G437 VanDerWaalsContact O-N 3.15Å; T434-Y438 WeakPolarHBondContact O-CD2 3.49Å; T434-Y438 PolarHBondContact O-N 3.28Å; T434-L462 WeakPolarHBondContact OG1-CD2 3.47Å
435L93.2Very high92.1Very high15 Ų1546.4 Ų46.48%0.07924%0.241CC..THydrogen-bonded Turntrans-53.8-48.1-173.9-63.1168.6000113.3L432 G437 Y438 S439 L440 L442 L462 L466L432-L435 HydrophobicContact CB-CD1 4.37Å; L432-L435 HydrophobicContact CD2-CD1 3.81Å; L432-L435 WeakPolarHBondContact O-CB 3.45Å; L432-L435 VanDerWaalsContact O-CD1 3.31Å; L432-L435 WeakPolarHBondContact O-CD1 3.3Å; L432-L435 WeakPolarHBondContact O-CG 3.41Å; L432-L435 PolarHBondContact O-N 2.86Å; L435-G437 VanDerWaalsContact C-N 3.31Å; L435-G437 PolarHBondContact O-N 3.47Å; L435-Y438 CarbonylContact O-C 3.57Å; L435-Y438 PolarHBondContact O-N 2.95Å; L435-Y438 VanDerWaalsContact O-N 3.15Å; L435-S439 PolarHBondContact O-N 3.04Å; L435-L440 CarbonylContact C-O 3.56Å; L435-L440 HydrophobicContact CB-CB 4.5Å; L435-L440 WeakPolarHBondContact CB-O 3.38Å; L435-L440 HydrophobicContact CD2-CB 4.15Å; L435-L440 HydrophobicContact CD2-CD2 3.48Å; L435-L440 VanDerWaalsContact CD2-CD2 3.48Å; L435-L440 HydrophobicContact CD2-CG 3.78Å; L435-L440 PolarHBondContact O-N 2.99Å; L435-L442 HydrophobicContact CD1-CD1 3.58Å; L435-L442 HydrophobicContact CD1-CD2 4.46Å; L435-L442 HydrophobicContact CD1-CG 3.67Å; L435-L442 HydrophobicContact CD2-CD2 4.49Å; L435-L462 HydrophobicContact CD2-CD2 3.77Å; L435-L462 HydrophobicContact CD2-CG 4.34Å; L435-L466 HydrophobicContact CD2-CD1 4.08Å
436P92.2Very high91.5Very high98 Ų9841.4 Ų41.464%0.63623%0.229SC*.G310 helixtrans-63-36.6-179-21.334.8000112.8Y438 S439P436-Y438 PolarHBondContact O-N 2.92Å; P436-S439 PolarHBondContact O-N 2.74Å
437G92.1Very high90.8Very high14 Ų1441.7 Ų41.714%0.14422%0.222CC..G310 helixtrans-69.6-17-179.800000114.1T434 L435T434-G437 PolarHBondContact O-N 3.37Å; T434-G437 VanDerWaalsContact O-N 3.15Å; L435-G437 VanDerWaalsContact C-N 3.31Å; L435-G437 PolarHBondContact O-N 3.47Å
438Y93.5Very high89.2Confident7 Ų744.7 Ų44.73%0.02724%0.243CC..G310 helixtrans-103.910.1170.7-60.3-55.9000113.4R401 A404 F405 T434 L435 P436 L440 V458 Q459 L462R401-Y438 HydrophobicContact CG-CD1 4.3Å; R401-Y438 HydrophobicContact CG-CE1 4.16Å; A404-Y438 HydrophobicContact CB-CD2 4.1Å; A404-Y438 HydrophobicContact CB-CE1 4.18Å; A404-Y438 HydrophobicContact CB-CE2 3.77Å; F405-Y438 VanDerWaalsContact CA-OH 3.26Å; F405-Y438 WeakPolarHBondContact CA-OH 3.44Å; F405-Y438 PolarHBondContact N-OH 2.81Å; T434-Y438 WeakPolarHBondContact O-CD2 3.49Å; T434-Y438 PolarHBondContact O-N 3.28Å; L435-Y438 CarbonylContact O-C 3.57Å; L435-Y438 PolarHBondContact O-N 2.95Å; L435-Y438 VanDerWaalsContact O-N 3.15Å; P436-Y438 PolarHBondContact O-N 2.92Å; Y438-L440 PolarHBondContact O-N 3.33Å; Y438-V458 HydrophobicContact CD1-CG1 3.71Å; Y438-V458 HydrophobicContact CE1-CG1 3.78Å; Y438-V458 HydrophobicContact CG-CG1 4.08Å; Y438-Q459 PolarHBondContact O-NE2 3.31Å; Y438-L462 HydrophobicContact CD2-CD2 3.62Å; Y438-L462 HydrophobicContact CE2-CD2 4.15Å
439S90.9Very high87.5Confident67 Ų6753.2 Ų53.247%0.46928%0.28SS..THydrogen-bonded Turntrans55.636.9-176.9-52.10000113.2L435 P436 Q459L435-S439 PolarHBondContact O-N 3.04Å; P436-S439 PolarHBondContact O-N 2.74Å; S439-Q459 PolarHBondContact O-NE2 2.92Å
440L90.8Very high86Confident8 Ų850.6 Ų50.64%0.04228%0.284CS..  trans-106.4129.5176.2-177.856.6000109L435 Y438 F447 Q459 L462 L463 F485 M490L435-L440 CarbonylContact C-O 3.56Å; L435-L440 HydrophobicContact CB-CB 4.5Å; L435-L440 WeakPolarHBondContact CB-O 3.38Å; L435-L440 HydrophobicContact CD2-CB 4.15Å; L435-L440 HydrophobicContact CD2-CD2 3.48Å; L435-L440 VanDerWaalsContact CD2-CD2 3.48Å; L435-L440 HydrophobicContact CD2-CG 3.78Å; L435-L440 PolarHBondContact O-N 2.99Å; Y438-L440 PolarHBondContact O-N 3.33Å; L440-F447 HydrophobicContact CD1-CE2 4.26Å; L440-F447 HydrophobicContact CD1-CZ 3.67Å; L440-Q459 HydrophobicContact CB-CG 4.19Å; L440-Q459 HydrophobicContact CD1-CB 4.46Å; L440-Q459 HydrophobicContact CD2-CB 4.16Å; L440-Q459 HydrophobicContact CD2-CG 4.41Å; L440-L462 HydrophobicContact CD2-CD2 4.27Å; L440-L463 HydrophobicContact CD2-CD1 4.48Å; L440-L463 HydrophobicContact CD2-CD2 4.07Å; L440-L463 HydrophobicContact CD2-CG 3.97Å; L440-F485 HydrophobicContact CD1-CE1 4.19Å; L440-M490 HydrophobicContact CD1-CE 3.86Å
441S90.1Very high84.6Confident36 Ų3655.8 Ų55.825%0.25232%0.317SS..  trans-107.7153.5166.3-179.90000108.8D443 D446 F447 F485S441-D443 PolarHBondContact OG-N 3.35Å; S441-D446 WeakPolarHBondContact CB-OD2 3.38Å; S441-D446 PolarHBondContact OG-OD2 2.99Å; S441-F447 WeakPolarHBondContact O-CE2 3.49Å; S441-F485 WeakPolarHBondContact O-CE1 3.42Å; S441-F485 WeakPolarHBondContact O-CZ 3.13Å
442L90.1Very high83.9Confident14 Ų1458.7 Ų58.77%0.07333%0.331CS..SBendtrans-99.610171.3-66.4179.3000112.6L432 L435 L463 R481 F485 L528L432-L442 HydrophobicContact CD2-CD1 3.59Å; L435-L442 HydrophobicContact CD1-CD1 3.58Å; L435-L442 HydrophobicContact CD1-CD2 4.46Å; L435-L442 HydrophobicContact CD1-CG 3.67Å; L435-L442 HydrophobicContact CD2-CD2 4.49Å; L442-L463 HydrophobicContact CD2-CD2 3.88Å; L442-R481 PolarHBondContact O-NH2 2.76Å; L442-F485 VanDerWaalsContact C-CE2 3.46Å; L442-F485 HydrophobicContact CD2-CD1 4.23Å; L442-F485 HydrophobicContact CD2-CE1 4.21Å; L442-F485 WeakPolarHBondContact O-CE2 3.36Å; L442-L528 HydrophobicContact CB-CD2 4.42Å; L442-L528 HydrophobicContact CD1-CD2 4.04Å
443D89.2Confident83.3Confident51 Ų5167.2 Ų67.227%0.27336%0.361SS..  trans-91.8117.6168.6-168-26.3000109.9S441 K445 D446 P529S441-D443 PolarHBondContact OG-N 3.35Å; D443-K445 PolarHBondContact O-N 2.81Å; D443-K445 VanDerWaalsContact O-N 3.14Å; D443-K445 WeakPolarHBondContact OD1-CB 3.5Å; D443-K445 WeakPolarHBondContact OD1-CG 3.39Å; D443-K445 PolarHBondContact OD1-N 2.79Å; D443-D446 PolarHBondContact O-N 3.16Å; D443-D446 VanDerWaalsContact O-N 3.14Å; D443-P529 HydrophobicContact CB-CG 4.25Å
444P86Confident82.9Confident16 Ų1664.8 Ų64.810%0.10436%0.359CS..G310 helixtrans-56.9-27177.4-25.133.9000113.8D446 F447 F485 V531P444-D446 VanDerWaalsContact C-N 3.25Å; P444-D446 PolarHBondContact O-N 2.85Å; P444-F447 PolarHBondContact O-N 2.82Å; P444-F485 HydrophobicContact CB-CE2 4.48Å; P444-F485 HydrophobicContact CG-CD2 4.04Å; P444-F485 HydrophobicContact CG-CE2 3.99Å; P444-V531 HydrophobicContact CG-CB 4.29Å; P444-V531 HydrophobicContact CG-CG1 4.16Å; P444-V531 HydrophobicContact CG-CG2 4.01Å
445K82Confident82.6Confident152 Ų15271 Ų7166%0.66138%0.383SS*.G310 helixtrans-69-22.3-179.4-64.2178.7179.61790113.3D443 F447 S448D443-K445 PolarHBondContact O-N 2.81Å; D443-K445 VanDerWaalsContact O-N 3.14Å; D443-K445 WeakPolarHBondContact OD1-CB 3.5Å; D443-K445 WeakPolarHBondContact OD1-CG 3.39Å; D443-K445 PolarHBondContact OD1-N 2.79Å; K445-F447 PolarHBondContact O-N 3.19Å; K445-S448 PolarHBondContact O-OG 2.9Å
446D81.3Confident82.5Confident96 Ų9671 Ų7151%0.51339%0.385SS..G310 helixtrans-72.6-19.3177.3-69.6-24.3000112S441 D443 P444S441-D446 WeakPolarHBondContact CB-OD2 3.38Å; S441-D446 PolarHBondContact OG-OD2 2.99Å; D443-D446 PolarHBondContact O-N 3.16Å; D443-D446 VanDerWaalsContact O-N 3.14Å; P444-D446 VanDerWaalsContact C-N 3.25Å; P444-D446 PolarHBondContact O-N 2.85Å
447F76.7Confident82.5Confident53 Ų5369.9 Ų69.923%0.23238%0.384CS..THydrogen-bonded Turntrans-93.1-17.9179.8-75.1-96000113.7L440 S441 P444 K445 K449 F485 T489 M490L440-F447 HydrophobicContact CD1-CE2 4.26Å; L440-F447 HydrophobicContact CD1-CZ 3.67Å; S441-F447 WeakPolarHBondContact O-CE2 3.49Å; P444-F447 PolarHBondContact O-N 2.82Å; K445-F447 PolarHBondContact O-N 3.19Å; F447-K449 VanDerWaalsContact C-N 3.29Å; F447-K449 PolarHBondContact O-N 3.45Å; F447-F485 AromaticContact CD2-CZ 3.99Å; F447-F485 HydrophobicContact CD2-CZ 3.99Å; F447-F485 HydrophobicContact CE2-CE1 4.27Å; F447-F485 AromaticContact CE2-CZ 3.7Å; F447-F485 HydrophobicContact CE2-CZ 3.7Å; F447-F485 HydrophobicContact CZ-CZ 4.48Å; F447-T489 HydrophobicContact CB-CG2 3.99Å; F447-T489 HydrophobicContact CD1-CG2 4.23Å; F447-T489 HydrophobicContact CD2-CG2 3.85Å; F447-T489 HydrophobicContact CE2-CG2 4.45Å; F447-T489 HydrophobicContact CG-CG2 3.73Å; F447-M490 HydrophobicContact CE1-CE 3.69Å; F447-M490 HydrophobicContact CZ-CE 3.97Å
448S60.5Low82.5Confident64 Ų6470.9 Ų70.945%0.44839%0.387SS..THydrogen-bonded Turntrans-78-6.5-174.160.80000114.8K445K445-S448 PolarHBondContact O-OG 2.9Å
449K59.4Low82.5Confident186 Ų18670.5 Ų70.581%0.80939%0.385SS*.THydrogen-bonded Turntrans-95.38.3-174.2-65.8-177.2-178.3173.60116F447F447-K449 VanDerWaalsContact C-N 3.29Å; F447-K449 PolarHBondContact O-N 3.45Å
450G62.6Low82.7Confident55 Ų5568.4 Ų68.457%0.56737%0.368SS*.SBendtrans86.915517700000115.1
451T65.8Low82.8Confident136 Ų13675.4 Ų75.483%0.83439%0.394SS*.SBendtrans49.3105.9-170.85.80000115.5R453T451-R453 PolarHBondContact O-N 2.89Å
452H81.3Confident83.1Confident61 Ų6173.7 Ų73.728%0.28238%0.382SS..  trans-52.2132.6171.3176.3-85.4000110.7Q459 F493H452-Q459 PolarHBondContact CE1-OE1 3.21Å; H452-Q459 PolarHBondContact NE2-OE1 2.82Å; H452-F493 HydrophobicContact CB-CE2 4.04Å; H452-F493 HydrophobicContact CB-CZ 3.69Å; H452-F493 AromaticContact CD2-CE2 3.41Å; H452-F493 VanDerWaalsContact CD2-CE2 3.41Å; H452-F493 WeakPolarHBondContact CD2-CE2 3.39Å; H452-F493 AromaticContact CD2-CZ 3.75Å; H452-F493 AromaticContact CG-CE2 3.66Å; H452-F493 AromaticContact CG-CZ 3.49Å; H452-F493 VanDerWaalsContact CG-CZ 3.49Å; H452-F493 AromaticContact ND1-CZ 3.95Å; H452-F493 AromaticContact NE2-CE2 3.99Å
453R82.2Confident83.3Confident198 Ų19873 Ų7375%0.74738%0.379SS*.  trans-109.8135.3178.1-64.4-171-178-143.91.3109.7T451 Q459T451-R453 PolarHBondContact O-N 2.89Å; R453-Q459 PolarHBondContact O-NE2 3.38Å
454G85.4Confident83.6Confident34 Ų3474.1 Ų74.135%0.35138%0.382SS..SBendtrans94.7-162.2177.600000113.4
455W89.8Confident84.1Confident131 Ų13174.9 Ų74.950%0.49638%0.384SS..  trans-107.6106.4-177.1-63.9-88.3000110.1A457 V458 Q459W455-A457 VanDerWaalsContact C-N 3.3Å; W455-A457 PolarHBondContact O-N 3.39Å; W455-V458 HydrophobicContact CB-CB 4.26Å; W455-V458 HydrophobicContact CB-CG2 4.03Å; W455-V458 PolarHBondContact O-N 3.34Å; W455-Q459 WeakPolarHBondContact O-CG 3.47Å; W455-Q459 PolarHBondContact O-N 3.41Å
456A90.5Very high84.8Confident15 Ų1567.6 Ų67.612%0.12435%0.353CS..Hα-helixtrans-52.1-45.7-176.100000112.5V458 Q459 M460 F493A456-V458 VanDerWaalsContact C-N 3.3Å; A456-V458 PolarHBondContact O-N 3.08Å; A456-Q459 PolarHBondContact O-N 3.04Å; A456-Q459 VanDerWaalsContact O-N 3.15Å; A456-M460 WeakPolarHBondContact O-CB 3.34Å; A456-M460 VanDerWaalsContact O-CG 3.27Å; A456-M460 WeakPolarHBondContact O-CG 3.46Å; A456-M460 PolarHBondContact O-N 3.19Å; A456-F493 HydrophobicContact CB-CB 4.02Å; A456-F493 HydrophobicContact CB-CD1 3.53Å; A456-F493 HydrophobicContact CB-CD2 3.96Å; A456-F493 HydrophobicContact CB-CE1 3.91Å; A456-F493 HydrophobicContact CB-CE2 4.31Å; A456-F493 HydrophobicContact CB-CG 3.56Å; A456-F493 HydrophobicContact CB-CZ 4.28Å
457A91.6Very high85.4Confident74 Ų7463.6 Ų63.661%0.61233%0.331SS*.Hα-helixtrans-57.2-38.6178.500000113.8W455 R461W455-A457 VanDerWaalsContact C-N 3.3Å; W455-A457 PolarHBondContact O-N 3.39Å; A457-R461 WeakPolarHBondContact O-CB 3.27Å; A457-R461 PolarHBondContact O-N 3.28Å
458V92.9Very high86.3Confident34 Ų3466.8 Ų66.821%0.20634%0.343CS..Hα-helixtrans-74.6-41.2178.4-179.50000110.7Y438 W455 A456 R461 L462Y438-V458 HydrophobicContact CD1-CG1 3.71Å; Y438-V458 HydrophobicContact CE1-CG1 3.78Å; Y438-V458 HydrophobicContact CG-CG1 4.08Å; W455-V458 HydrophobicContact CB-CB 4.26Å; W455-V458 HydrophobicContact CB-CG2 4.03Å; W455-V458 PolarHBondContact O-N 3.34Å; A456-V458 VanDerWaalsContact C-N 3.3Å; A456-V458 PolarHBondContact O-N 3.08Å; V458-R461 PolarHBondContact O-N 3.05Å; V458-L462 WeakPolarHBondContact O-CB 3.31Å; V458-L462 PolarHBondContact O-N 3.02Å
459Q94Very high87.9Confident0 Ų063.8 Ų63.80%032%0.322CS..Hα-helixtrans-66.9-43.7179.9-67.3174.2-14.700111.9Y438 S439 L440 H452 R453 W455 A456 R461 L462 L463 M490Y438-Q459 PolarHBondContact O-NE2 3.31Å; S439-Q459 PolarHBondContact O-NE2 2.92Å; L440-Q459 HydrophobicContact CB-CG 4.19Å; L440-Q459 HydrophobicContact CD1-CB 4.46Å; L440-Q459 HydrophobicContact CD2-CB 4.16Å; L440-Q459 HydrophobicContact CD2-CG 4.41Å; H452-Q459 PolarHBondContact CE1-OE1 3.21Å; H452-Q459 PolarHBondContact NE2-OE1 2.82Å; R453-Q459 PolarHBondContact O-NE2 3.38Å; W455-Q459 WeakPolarHBondContact O-CG 3.47Å; W455-Q459 PolarHBondContact O-N 3.41Å; A456-Q459 PolarHBondContact O-N 3.04Å; A456-Q459 VanDerWaalsContact O-N 3.15Å; Q459-R461 PolarHBondContact O-N 3.27Å; Q459-L462 PolarHBondContact O-N 3.37Å; Q459-L463 WeakPolarHBondContact O-CG 3.46Å; Q459-L463 PolarHBondContact O-N 2.95Å; Q459-M490 HydrophobicContact CB-CE 3.97Å
460M93.5Very high89.6Confident22 Ų2255 Ų5511%0.10828%0.283CS..Hα-helixtrans-60-46.2174-68.7-173.1-59.700110.7A456 L462 L463 H464 L486 M490 F493 L494A456-M460 WeakPolarHBondContact O-CB 3.34Å; A456-M460 VanDerWaalsContact O-CG 3.27Å; A456-M460 WeakPolarHBondContact O-CG 3.46Å; A456-M460 PolarHBondContact O-N 3.19Å; M460-L462 VanDerWaalsContact C-N 3.31Å; M460-L462 PolarHBondContact O-N 3.07Å; M460-L463 PolarHBondContact O-N 2.91Å; M460-H464 PolarHBondContact O-CD2 2.7Å; M460-H464 PolarHBondContact O-N 3.11Å; M460-L486 HydrophobicContact CB-CD1 4.27Å; M460-L486 HydrophobicContact CG-CD1 3.98Å; M460-M490 HydrophobicContact CG-CB 4.05Å; M460-M490 HydrophobicContact CG-CG 4.06Å; M460-M490 HydrophobicContact SD-CB 4.27Å; M460-F493 HydrophobicContact CE-CB 4.12Å; M460-F493 HydrophobicContact SD-CB 3.84Å; M460-L494 HydrophobicContact SD-CD2 3.67Å; M460-L494 HydrophobicContact SD-CG 4.26Å
461R94.2Very high91Very high156 Ų15659 Ų5959%0.58928%0.282SS*.Hα-helixtrans-59.7-41.6176.2-171.8174.6175.6169.1-2112.3A457 V458 Q459 H464 E465A457-R461 WeakPolarHBondContact O-CB 3.27Å; A457-R461 PolarHBondContact O-N 3.28Å; V458-R461 PolarHBondContact O-N 3.05Å; Q459-R461 PolarHBondContact O-N 3.27Å; R461-H464 PolarHBondContact O-N 2.85Å; R461-E465 IonicContact NE-OE1 3.55Å; R461-E465 WeakPolarHBondContact O-CG 3.06Å; R461-E465 PolarHBondContact O-N 3.46Å
462L95.6Very high92.3Very high0 Ų059.1 Ų59.10%027%0.267CS..Hα-helixtrans-65.8-40.7176.4179.358.5000112.1L431 T434 L435 Y438 L440 V458 Q459 M460 E465 L466L431-L462 HydrophobicContact CB-CD1 4.24Å; L431-L462 HydrophobicContact CD2-CD1 3.68Å; L431-L462 HydrophobicContact CG-CD1 4.47Å; T434-L462 WeakPolarHBondContact OG1-CD2 3.47Å; L435-L462 HydrophobicContact CD2-CD2 3.77Å; L435-L462 HydrophobicContact CD2-CG 4.34Å; Y438-L462 HydrophobicContact CD2-CD2 3.62Å; Y438-L462 HydrophobicContact CE2-CD2 4.15Å; L440-L462 HydrophobicContact CD2-CD2 4.27Å; V458-L462 WeakPolarHBondContact O-CB 3.31Å; V458-L462 PolarHBondContact O-N 3.02Å; Q459-L462 PolarHBondContact O-N 3.37Å; M460-L462 VanDerWaalsContact C-N 3.31Å; M460-L462 PolarHBondContact O-N 3.07Å; L462-E465 PolarHBondContact O-N 3.19Å; L462-L466 WeakPolarHBondContact O-CG 3.38Å; L462-L466 PolarHBondContact O-N 3.48Å
463L95.6Very high92.8Very high0 Ų058.8 Ų58.80%027%0.266CS..Hα-helixtrans-62.3-42.5174.4-72.1170.4000111.4L440 L442 Q459 M460 E465 L466 V467 F485 L486 M490L440-L463 HydrophobicContact CD2-CD1 4.48Å; L440-L463 HydrophobicContact CD2-CD2 4.07Å; L440-L463 HydrophobicContact CD2-CG 3.97Å; L442-L463 HydrophobicContact CD2-CD2 3.88Å; Q459-L463 WeakPolarHBondContact O-CG 3.46Å; Q459-L463 PolarHBondContact O-N 2.95Å; M460-L463 PolarHBondContact O-N 2.91Å; L463-E465 VanDerWaalsContact C-N 3.34Å; L463-E465 PolarHBondContact O-N 3.47Å; L463-L466 HydrophobicContact CD2-CD1 4.44Å; L463-L466 WeakPolarHBondContact O-CB 3.34Å; L463-L466 PolarHBondContact O-N 2.85Å; L463-V467 VanDerWaalsContact O-CG2 3.31Å; L463-V467 WeakPolarHBondContact O-CG2 3.32Å; L463-V467 PolarHBondContact O-N 3.33Å; L463-F485 HydrophobicContact CD1-CD1 4.14Å; L463-F485 HydrophobicContact CD1-CE1 4.44Å; L463-F485 HydrophobicContact CD2-CD1 3.88Å; L463-F485 HydrophobicContact CD2-CE1 4.35Å; L463-L486 HydrophobicContact CB-CD1 4.11Å; L463-L486 HydrophobicContact CD1-CB 4.29Å; L463-L486 HydrophobicContact CD1-CD1 3.58Å; L463-M490 HydrophobicContact CD1-CE 4.44Å; L463-M490 HydrophobicContact CD1-CG 4.16Å
464H95.3Very high93.1Very high74 Ų7452.3 Ų52.334%0.34326%0.261SS..Hα-helixtrans-61.1-40.6172.8-79.6-69.7000112.6M460 R461 L466 V467 Y468M460-H464 PolarHBondContact O-CD2 2.7Å; M460-H464 PolarHBondContact O-N 3.11Å; R461-H464 PolarHBondContact O-N 2.85Å; H464-L466 VanDerWaalsContact C-N 3.34Å; H464-V467 PolarHBondContact O-N 2.9Å; H464-Y468 WeakPolarHBondContact O-CB 3.49Å; H464-Y468 PolarHBondContact O-N 3.22Å
465E95.8Very high93.3Very high31 Ų3153.6 Ų53.615%0.14526%0.26CS..Hα-helixtrans-64.9-37.8175-75.2169.6171.200112R408 M412 L431 R461 L462 L463 Y468 A469R408-E465 IonicContact CZ-OE1 3.97Å; R408-E465 IonicContact CZ-OE2 3.19Å; R408-E465 IonicContact NE-OE1 3.71Å; R408-E465 IonicContact NE-OE2 2.8Å; R408-E465 PolarHBondContact NE-OE2 3.37Å; R408-E465 IonicContact NH2-OE1 3.06Å; R408-E465 PolarHBondContact NH2-OE1 3.44Å; R408-E465 IonicContact NH2-OE2 2.78Å; R408-E465 PolarHBondContact NH2-OE2 2.89Å; M412-E465 HydrophobicContact CE-CB 4.09Å; M412-E465 HydrophobicContact CE-CG 3.92Å; L431-E465 HydrophobicContact CD1-CB 4.1Å; R461-E465 IonicContact NE-OE1 3.55Å; R461-E465 WeakPolarHBondContact O-CG 3.06Å; R461-E465 PolarHBondContact O-N 3.46Å; L462-E465 PolarHBondContact O-N 3.19Å; L463-E465 VanDerWaalsContact C-N 3.34Å; L463-E465 PolarHBondContact O-N 3.47Å; E465-Y468 PolarHBondContact O-N 3.46Å; E465-A469 VanDerWaalsContact O-CB 3.31Å; E465-A469 WeakPolarHBondContact O-CB 2.99Å; E465-A469 PolarHBondContact O-N 3.38Å
466L96.2Very high93.2Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-64.7-42.9172.9-75.5170.4000112.1Y428 L431 L432 L435 L462 L463 H464 Y468 A469 S470Y428-L466 HydrophobicContact CD2-CD2 3.8Å; Y428-L466 HydrophobicContact CE2-CB 4.46Å; Y428-L466 HydrophobicContact CE2-CD2 3.75Å; L431-L466 HydrophobicContact CB-CD2 3.64Å; L431-L466 HydrophobicContact CB-CG 4.35Å; L431-L466 HydrophobicContact CD1-CD2 4.34Å; L432-L466 HydrophobicContact CD2-CD1 4.34Å; L432-L466 HydrophobicContact CD2-CD2 3.89Å; L432-L466 HydrophobicContact CG-CD2 4.24Å; L435-L466 HydrophobicContact CD2-CD1 4.08Å; L462-L466 WeakPolarHBondContact O-CG 3.38Å; L462-L466 PolarHBondContact O-N 3.48Å; L463-L466 HydrophobicContact CD2-CD1 4.44Å; L463-L466 WeakPolarHBondContact O-CB 3.34Å; L463-L466 PolarHBondContact O-N 2.85Å; H464-L466 VanDerWaalsContact C-N 3.34Å; L466-Y468 VanDerWaalsContact C-N 3.32Å; L466-A469 PolarHBondContact O-N 2.89Å; L466-S470 WeakPolarHBondContact O-CB 3.38Å; L466-S470 PolarHBondContact O-N 2.98Å; L466-S470 PolarHBondContact O-OG 3.05Å; L466-S470 VanDerWaalsContact O-OG 3.11Å
467V95.6Very high93.3Very high11 Ų1149.7 Ų49.77%0.06725%0.253CS..Hα-helixtrans-60.9-42.9174.3171.50000110.8L463 H464 S470 R471 S479 H482 L483L463-V467 VanDerWaalsContact O-CG2 3.31Å; L463-V467 WeakPolarHBondContact O-CG2 3.32Å; L463-V467 PolarHBondContact O-N 3.33Å; H464-V467 PolarHBondContact O-N 2.9Å; V467-S470 PolarHBondContact O-OG 2.99Å; V467-R471 WeakPolarHBondContact O-CB 3.27Å; V467-R471 PolarHBondContact O-N 2.94Å; V467-R471 VanDerWaalsContact O-N 3.1Å; V467-S479 PolarHBondContact O-OG 2.92Å; V467-S479 VanDerWaalsContact O-OG 3.11Å; V467-H482 HydrophobicContact CG2-CB 3.5Å; V467-H482 VanDerWaalsContact CG2-CB 3.5Å; V467-L483 HydrophobicContact CG1-CD1 4.13Å; V467-L483 HydrophobicContact CG1-CD2 4.1Å; V467-L483 HydrophobicContact CG1-CG 3.92Å; V467-L483 HydrophobicContact CG2-CD2 4.02Å; V467-L483 HydrophobicContact CG2-CG 3.83Å
468Y94.4Very high93.3Very high121 Ų12146.2 Ų46.248%0.47522%0.224SC..Hα-helixtrans-67.2-46.2179.6-173.4-107.4000111.5W424 H464 E465 L466 R471 R472W424-Y468 HydrophobicContact CH2-CD1 4.02Å; W424-Y468 AromaticContact CH2-CE1 3.48Å; W424-Y468 HydrophobicContact CH2-CE1 3.48Å; W424-Y468 VanDerWaalsContact CH2-CE1 3.48Å; W424-Y468 HydrophobicContact CZ2-CE1 4.35Å; W424-Y468 AromaticContact CZ3-CD1 3.92Å; W424-Y468 HydrophobicContact CZ3-CD1 3.92Å; W424-Y468 AromaticContact CZ3-CE1 3.88Å; W424-Y468 HydrophobicContact CZ3-CE1 3.88Å; H464-Y468 WeakPolarHBondContact O-CB 3.49Å; H464-Y468 PolarHBondContact O-N 3.22Å; E465-Y468 PolarHBondContact O-N 3.46Å; L466-Y468 VanDerWaalsContact C-N 3.32Å; Y468-R471 WeakPolarHBondContact O-CB 3.5Å; Y468-R471 PolarHBondContact O-N 2.95Å; Y468-R472 HydrophobicContact CD1-CG 4.49Å; Y468-R472 HydrophobicContact CE1-CG 4.2Å; Y468-R472 WeakPolarHBondContact O-CG 3.43Å; Y468-R472 PolarHBondContact O-N 3.1Å; Y468-R472 VanDerWaalsContact O-N 3.1Å
469A95Very high93.4Very high1 Ų144.6 Ų44.61%0.00821%0.214CC..Hα-helixtrans-63-44.6177.100000111.8W424 Y428 L431 E465 L466 R471 R472 M473W424-A469 HydrophobicContact CE3-CB 4.18Å; Y428-A469 HydrophobicContact CD2-CB 4.1Å; L431-A469 HydrophobicContact CD1-CB 4.31Å; E465-A469 VanDerWaalsContact O-CB 3.31Å; E465-A469 WeakPolarHBondContact O-CB 2.99Å; E465-A469 PolarHBondContact O-N 3.38Å; L466-A469 PolarHBondContact O-N 2.89Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 3.1Å; A469-R472 PolarHBondContact O-N 3.37Å; A469-R472 VanDerWaalsContact O-N 3.17Å; A469-M473 VanDerWaalsContact O-CG 3.26Å; A469-M473 WeakPolarHBondContact O-CG 3.45Å; A469-M473 PolarHBondContact O-N 3.36Å
470S93.9Very high93.4Very high0 Ų044.8 Ų44.80%022%0.215CC..Hα-helixtrans-62.9-36.6178.163.20000112.8L466 V467 M473 G474 N475 S479L466-S470 WeakPolarHBondContact O-CB 3.38Å; L466-S470 PolarHBondContact O-N 2.98Å; L466-S470 PolarHBondContact O-OG 3.05Å; L466-S470 VanDerWaalsContact O-OG 3.11Å; V467-S470 PolarHBondContact O-OG 2.99Å; S470-M473 PolarHBondContact O-N 2.67Å; S470-G474 PolarHBondContact O-N 3.1Å; S470-N475 PolarHBondContact O-N 2.97Å; S470-N475 VanDerWaalsContact O-N 3.08Å; S470-S479 WeakPolarHBondContact OG-CA 3.19Å; S470-S479 PolarHBondContact OG-N 3.07Å; S470-S479 PolarHBondContact OG-OG 3.04Å
471R91.6Very high93.4Very high141 Ų14144.4 Ų44.453%0.53221%0.213SC..Hα-helixtrans-61.5-47.7173.3-177.8-158.7179.7160.1-8111.1V467 Y468 A469 M473 G474 S479 Y509V467-R471 WeakPolarHBondContact O-CB 3.27Å; V467-R471 PolarHBondContact O-N 2.94Å; V467-R471 VanDerWaalsContact O-N 3.1Å; Y468-R471 WeakPolarHBondContact O-CB 3.5Å; Y468-R471 PolarHBondContact O-N 2.95Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 3.1Å; R471-M473 VanDerWaalsContact C-N 3.27Å; R471-M473 PolarHBondContact O-N 3.17Å; R471-G474 PolarHBondContact O-N 3.26Å; R471-S479 PolarHBondContact N-OG 3.08Å; R471-Y509 VanDerWaalsContact CD-OH 3.22Å; R471-Y509 WeakPolarHBondContact CD-OH 3.21Å; R471-Y509 HydrophobicContact CG-CE1 4.06Å; R471-Y509 PolarHBondContact NH1-OH 2.96Å
472R93.1Very high93.5Very high137 Ų13737 Ų3752%0.51719%0.185SC..Hα-helixtrans-70.1-24.5-178.3-62.9-70.9-85.4172.8-7.2112.6W424 Y468 A469 G474W424-R472 HydrophobicContact CB-CB 4.4Å; W424-R472 HydrophobicContact CD2-CB 3.28Å; W424-R472 HydrophobicContact CD2-CG 3.93Å; W424-R472 VanDerWaalsContact CE2-CB 3.47Å; W424-R472 HydrophobicContact CE3-CB 3.68Å; W424-R472 HydrophobicContact CE3-CG 4.06Å; W424-R472 HydrophobicContact CG-CB 3.6Å; W424-R472 HydrophobicContact CH2-CB 4.47Å; W424-R472 HydrophobicContact CH2-CG 4.05Å; W424-R472 HydrophobicContact CZ2-CB 4.1Å; W424-R472 HydrophobicContact CZ2-CG 3.84Å; W424-R472 HydrophobicContact CZ3-CB 4.26Å; W424-R472 HydrophobicContact CZ3-CG 4.12Å; Y468-R472 HydrophobicContact CD1-CG 4.49Å; Y468-R472 HydrophobicContact CE1-CG 4.2Å; Y468-R472 WeakPolarHBondContact O-CG 3.43Å; Y468-R472 PolarHBondContact O-N 3.1Å; Y468-R472 VanDerWaalsContact O-N 3.1Å; A469-R472 PolarHBondContact O-N 3.37Å; A469-R472 VanDerWaalsContact O-N 3.17Å; R472-G474 PolarHBondContact O-N 2.79Å
473M92.3Very high93.5Very high54 Ų5437.1 Ų37.127%0.26619%0.186SC..THydrogen-bonded Turntrans-72.3-9168.5-68.6165.557.500113.9W424 R425 Y428 A469 S470 R471W424-M473 HydrophobicContact CB-CG 3.73Å; R425-M473 HydrophobicContact CG-CE 4.21Å; R425-M473 HydrophobicContact CG-CG 4.33Å; Y428-M473 WeakPolarHBondContact CB-SD 3.43Å; Y428-M473 HydrophobicContact CD1-CE 4.16Å; Y428-M473 HydrophobicContact CD1-SD 4.12Å; Y428-M473 HydrophobicContact CD2-SD 4.06Å; Y428-M473 HydrophobicContact CG-CE 4.24Å; Y428-M473 HydrophobicContact CG-SD 3.58Å; Y428-M473 VanDerWaalsContact CG-SD 3.58Å; A469-M473 VanDerWaalsContact O-CG 3.26Å; A469-M473 WeakPolarHBondContact O-CG 3.45Å; A469-M473 PolarHBondContact O-N 3.36Å; S470-M473 PolarHBondContact O-N 2.67Å; R471-M473 VanDerWaalsContact C-N 3.27Å; R471-M473 PolarHBondContact O-N 3.17Å
474G88.9Confident93.4Very high62 Ų6237.3 Ų37.364%0.63919%0.187SC*.THydrogen-bonded Turntrans76.822.6-176.600000114.1S470 R471 R472 P476S470-G474 PolarHBondContact O-N 3.1Å; R471-G474 PolarHBondContact O-N 3.26Å; R472-G474 PolarHBondContact O-N 2.79Å; G474-P476 VanDerWaalsContact O-CD 3.26Å; G474-P476 WeakPolarHBondContact O-CD 3.48Å
475N89.4Confident93.4Very high61 Ų6133.8 Ų33.833%0.32617%0.171SC..  trans-112.186.8177.2-169.1-30.6000110.7S470 G477 L478 S479S470-N475 PolarHBondContact O-N 2.97Å; S470-N475 VanDerWaalsContact O-N 3.08Å; N475-G477 VanDerWaalsContact C-N 3.3Å; N475-G477 PolarHBondContact O-N 2.99Å; N475-G477 PolarHBondContact OD1-N 3.1Å; N475-L478 HydrophobicContact CB-CB 4.41Å; N475-L478 HydrophobicContact CB-CD1 4.06Å; N475-L478 HydrophobicContact CB-CG 4.38Å; N475-L478 WeakPolarHBondContact ND2-CD1 3.34Å; N475-L478 PolarHBondContact O-N 2.87Å; N475-L478 PolarHBondContact OD1-N 2.78Å; N475-L478 VanDerWaalsContact OD1-N 3.13Å; N475-S479 PolarHBondContact O-N 3.27Å
476P88.6Confident93.3Very high47 Ų4732.3 Ų32.331%0.30516%0.164SC..Hα-helixtrans-66.6-29.7-178.826.9-34.2000112.8G474 L478 S479 V480 C513G474-P476 VanDerWaalsContact O-CD 3.26Å; G474-P476 WeakPolarHBondContact O-CD 3.48Å; P476-L478 VanDerWaalsContact C-N 3.31Å; P476-L478 PolarHBondContact O-N 2.76Å; P476-S479 WeakPolarHBondContact O-CB 3.26Å; P476-S479 PolarHBondContact O-N 3.16Å; P476-S479 VanDerWaalsContact O-N 3.07Å; P476-V480 WeakPolarHBondContact O-CG2 3.29Å; P476-V480 PolarHBondContact O-N 2.88Å; P476-C513 HydrophobicContact CB-CB 4.21Å; P476-C513 HydrophobicContact CG-CB 4.07Å
477G91.1Very high93.2Very high17 Ų1732.3 Ų32.318%0.17516%0.164CC..Hα-helixtrans-60.7-39.2177.100000112.6N475 V480 R481N475-G477 VanDerWaalsContact C-N 3.3Å; N475-G477 PolarHBondContact O-N 2.99Å; N475-G477 PolarHBondContact OD1-N 3.1Å; G477-V480 PolarHBondContact O-N 3.15Å; G477-R481 VanDerWaalsContact O-CB 3.27Å; G477-R481 WeakPolarHBondContact O-CB 3.43Å; G477-R481 PolarHBondContact O-N 3Å
478L92.7Very high93Very high1 Ų132.9 Ų32.91%0.00517%0.166CC..Hα-helixtrans-65.9-38.2172.3-75.2176.8000112.7Y428 N475 P476 R481 H482 I520 L522 L528Y428-L478 HydrophobicContact CE1-CD1 4.36Å; N475-L478 HydrophobicContact CB-CB 4.41Å; N475-L478 HydrophobicContact CB-CD1 4.06Å; N475-L478 HydrophobicContact CB-CG 4.38Å; N475-L478 WeakPolarHBondContact ND2-CD1 3.34Å; N475-L478 PolarHBondContact O-N 2.87Å; N475-L478 PolarHBondContact OD1-N 2.78Å; N475-L478 VanDerWaalsContact OD1-N 3.13Å; P476-L478 VanDerWaalsContact C-N 3.31Å; P476-L478 PolarHBondContact O-N 2.76Å; L478-R481 PolarHBondContact O-N 3.33Å; L478-H482 WeakPolarHBondContact O-CB 3.39Å; L478-H482 PolarHBondContact O-CD2 3.01Å; L478-H482 VanDerWaalsContact O-CD2 3.31Å; L478-H482 VanDerWaalsContact O-CG 3.28Å; L478-H482 PolarHBondContact O-N 3.15Å; L478-I520 HydrophobicContact CD2-CB 4.4Å; L478-I520 HydrophobicContact CD2-CD1 4.13Å; L478-I520 HydrophobicContact CD2-CG2 3.67Å; L478-I520 HydrophobicContact CG-CG2 4.34Å; L478-L522 HydrophobicContact CD1-CD2 3.79Å; L478-L522 HydrophobicContact CD2-CD2 4Å; L478-L522 HydrophobicContact CG-CD2 4.49Å; L478-L528 HydrophobicContact CD2-CD1 3.73Å
479S94.1Very high92.8Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-64.4-46.3175.6-680000111.6V467 S470 R471 N475 P476 H482 L483V467-S479 PolarHBondContact O-OG 2.92Å; V467-S479 VanDerWaalsContact O-OG 3.11Å; S470-S479 WeakPolarHBondContact OG-CA 3.19Å; S470-S479 PolarHBondContact OG-N 3.07Å; S470-S479 PolarHBondContact OG-OG 3.04Å; R471-S479 PolarHBondContact N-OG 3.08Å; N475-S479 PolarHBondContact O-N 3.27Å; P476-S479 WeakPolarHBondContact O-CB 3.26Å; P476-S479 PolarHBondContact O-N 3.16Å; P476-S479 VanDerWaalsContact O-N 3.07Å; S479-H482 PolarHBondContact O-N 3.32Å; S479-L483 WeakPolarHBondContact O-CB 3.4Å; S479-L483 VanDerWaalsContact O-CG 3.32Å; S479-L483 WeakPolarHBondContact O-CG 3.41Å; S479-L483 PolarHBondContact O-N 3.26Å
480V94.7Very high92.6Very high4 Ų427.6 Ų27.62%0.02415%0.146CC..Hα-helixtrans-57-51.7175.1171.10000109.7P476 G477 H482 L483 S484 L506 T510 V668P476-V480 WeakPolarHBondContact O-CG2 3.29Å; P476-V480 PolarHBondContact O-N 2.88Å; G477-V480 PolarHBondContact O-N 3.15Å; V480-H482 PolarHBondContact O-N 3Å; V480-L483 PolarHBondContact O-N 3.27Å; V480-S484 WeakPolarHBondContact O-CB 3.12Å; V480-S484 PolarHBondContact O-N 3.29Å; V480-S484 PolarHBondContact O-OG 2.79Å; V480-S484 VanDerWaalsContact O-OG 3.06Å; V480-L506 HydrophobicContact CB-CD1 4.43Å; V480-L506 HydrophobicContact CG1-CD1 3.93Å; V480-T510 HydrophobicContact CG1-CG2 3.77Å; V480-T510 HydrophobicContact CG2-CG2 3.98Å; V480-V668 HydrophobicContact CG1-CG2 4.2Å
481R94.1Very high92.4Very high14 Ų1427.7 Ų27.75%0.05315%0.146CC..Hα-helixtrans-58.5-44-179.9-177.4-122.4166.760.78113.4L442 G477 L478 S484 F485 I520 L528 P529 V531L442-R481 PolarHBondContact O-NH2 2.76Å; G477-R481 VanDerWaalsContact O-CB 3.27Å; G477-R481 WeakPolarHBondContact O-CB 3.43Å; G477-R481 PolarHBondContact O-N 3Å; L478-R481 PolarHBondContact O-N 3.33Å; R481-S484 PolarHBondContact O-N 2.83Å; R481-F485 WeakPolarHBondContact O-CB 3.33Å; R481-F485 PolarHBondContact O-N 3.45Å; R481-I520 HydrophobicContact CB-CD1 3.89Å; R481-I520 HydrophobicContact CG-CD1 4.15Å; R481-L528 VanDerWaalsContact NH1-CB 3.27Å; R481-L528 PolarHBondContact NH1-O 3.34Å; R481-L528 VanDerWaalsContact NH2-C 3.34Å; R481-P529 PolarHBondContact NH1-O 3.39Å; R481-P529 PolarHBondContact NH2-O 3.28Å; R481-V531 HydrophobicContact CG-CG2 4.32Å
482H95.3Very high92.3Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-71.1-35.3179.3-71.5-34.2000112.9Y428 V467 L478 S479 V480 F485 L486Y428-H482 AromaticContact CE2-NE2 3.46Å; Y428-H482 WeakPolarHBondContact CE2-NE2 3.5Å; Y428-H482 AromaticContact CZ-NE2 3.57Å; Y428-H482 PolarHBondContact OH-NE2 3.1Å; V467-H482 HydrophobicContact CG2-CB 3.5Å; V467-H482 VanDerWaalsContact CG2-CB 3.5Å; L478-H482 WeakPolarHBondContact O-CB 3.39Å; L478-H482 PolarHBondContact O-CD2 3.01Å; L478-H482 VanDerWaalsContact O-CD2 3.31Å; L478-H482 VanDerWaalsContact O-CG 3.28Å; L478-H482 PolarHBondContact O-N 3.15Å; S479-H482 PolarHBondContact O-N 3.32Å; V480-H482 PolarHBondContact O-N 3Å; H482-F485 WeakPolarHBondContact O-CB 3.33Å; H482-F485 PolarHBondContact O-N 2.85Å; H482-L486 WeakPolarHBondContact O-CB 3.47Å; H482-L486 PolarHBondContact O-N 3.33Å
483L95.4Very high92.2Very high3 Ų324.4 Ų24.42%0.01615%0.145CC..Hα-helixtrans-67-41.9171.8-73.9168.1000111.3V467 S479 V480 F485 L486 L487 V502 L506 Y509V467-L483 HydrophobicContact CG1-CD1 4.13Å; V467-L483 HydrophobicContact CG1-CD2 4.1Å; V467-L483 HydrophobicContact CG1-CG 3.92Å; V467-L483 HydrophobicContact CG2-CD2 4.02Å; V467-L483 HydrophobicContact CG2-CG 3.83Å; S479-L483 WeakPolarHBondContact O-CB 3.4Å; S479-L483 VanDerWaalsContact O-CG 3.32Å; S479-L483 WeakPolarHBondContact O-CG 3.41Å; S479-L483 PolarHBondContact O-N 3.26Å; V480-L483 PolarHBondContact O-N 3.27Å; L483-F485 VanDerWaalsContact C-N 3.33Å; L483-F485 PolarHBondContact O-N 2.83Å; L483-L486 WeakPolarHBondContact O-CB 3.43Å; L483-L486 PolarHBondContact O-N 3.15Å; L483-L487 PolarHBondContact O-N 2.82Å; L483-V502 HydrophobicContact CD2-CG1 3.98Å; L483-L506 HydrophobicContact CB-CB 4.43Å; L483-L506 HydrophobicContact CB-CD1 3.97Å; L483-L506 HydrophobicContact CD1-CB 4.39Å; L483-Y509 HydrophobicContact CD1-CD2 3.55Å; L483-Y509 HydrophobicContact CD1-CE2 3.88Å
484S94.6Very high92.2Very high4 Ų422.2 Ų22.23%0.02814%0.135CC..Hα-helixtrans-59-46.7171.6-65.60000110.9V480 R481 L486 L487 Q488 F533V480-S484 WeakPolarHBondContact O-CB 3.12Å; V480-S484 PolarHBondContact O-N 3.29Å; V480-S484 PolarHBondContact O-OG 2.79Å; V480-S484 VanDerWaalsContact O-OG 3.06Å; R481-S484 PolarHBondContact O-N 2.83Å; S484-L486 VanDerWaalsContact C-N 3.34Å; S484-L486 PolarHBondContact O-N 2.83Å; S484-L487 PolarHBondContact O-N 2.72Å; S484-Q488 VanDerWaalsContact O-CB 3.32Å; S484-Q488 WeakPolarHBondContact O-CB 3.41Å; S484-Q488 PolarHBondContact O-N 3.08Å; S484-F533 WeakPolarHBondContact O-CE1 3.43Å
485F93.9Very high92.5Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-57.2-47.8176.2-170.3-91.3000111.7L440 S441 L442 P444 F447 L463 R481 H482 L483 L487 Q488 T489 V531L440-F485 HydrophobicContact CD1-CE1 4.19Å; S441-F485 WeakPolarHBondContact O-CE1 3.42Å; S441-F485 WeakPolarHBondContact O-CZ 3.13Å; L442-F485 VanDerWaalsContact C-CE2 3.46Å; L442-F485 HydrophobicContact CD2-CD1 4.23Å; L442-F485 HydrophobicContact CD2-CE1 4.21Å; L442-F485 WeakPolarHBondContact O-CE2 3.36Å; P444-F485 HydrophobicContact CB-CE2 4.48Å; P444-F485 HydrophobicContact CG-CD2 4.04Å; P444-F485 HydrophobicContact CG-CE2 3.99Å; F447-F485 AromaticContact CD2-CZ 3.99Å; F447-F485 HydrophobicContact CD2-CZ 3.99Å; F447-F485 HydrophobicContact CE2-CE1 4.27Å; F447-F485 AromaticContact CE2-CZ 3.7Å; F447-F485 HydrophobicContact CE2-CZ 3.7Å; F447-F485 HydrophobicContact CZ-CZ 4.48Å; L463-F485 HydrophobicContact CD1-CD1 4.14Å; L463-F485 HydrophobicContact CD1-CE1 4.44Å; L463-F485 HydrophobicContact CD2-CD1 3.88Å; L463-F485 HydrophobicContact CD2-CE1 4.35Å; R481-F485 WeakPolarHBondContact O-CB 3.33Å; R481-F485 PolarHBondContact O-N 3.45Å; H482-F485 WeakPolarHBondContact O-CB 3.33Å; H482-F485 PolarHBondContact O-N 2.85Å; L483-F485 VanDerWaalsContact C-N 3.33Å; L483-F485 PolarHBondContact O-N 2.83Å; F485-L487 PolarHBondContact O-N 2.86Å; F485-Q488 PolarHBondContact O-N 2.88Å; F485-T489 HydrophobicContact CD1-CG2 4.33Å; F485-T489 HydrophobicContact CD2-CG2 4.26Å; F485-T489 HydrophobicContact CE1-CG2 3.9Å; F485-T489 WeakPolarHBondContact CE1-OG1 3.43Å; F485-T489 HydrophobicContact CE2-CG2 3.82Å; F485-T489 HydrophobicContact CG-CG2 4.48Å; F485-T489 HydrophobicContact CZ-CG2 3.61Å; F485-T489 PolarHBondContact O-N 2.76Å; F485-T489 PolarHBondContact O-OG1 2.67Å; F485-V531 HydrophobicContact CB-CG2 4.07Å; F485-V531 HydrophobicContact CD2-CG2 4.06Å
486L94.3Very high92.7Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-56.5-49.2177.4-178.970000111.9M460 L463 H482 L483 S484 Q488 M490 V502M460-L486 HydrophobicContact CB-CD1 4.27Å; M460-L486 HydrophobicContact CG-CD1 3.98Å; L463-L486 HydrophobicContact CB-CD1 4.11Å; L463-L486 HydrophobicContact CD1-CB 4.29Å; L463-L486 HydrophobicContact CD1-CD1 3.58Å; H482-L486 WeakPolarHBondContact O-CB 3.47Å; H482-L486 PolarHBondContact O-N 3.33Å; L483-L486 WeakPolarHBondContact O-CB 3.43Å; L483-L486 PolarHBondContact O-N 3.15Å; S484-L486 VanDerWaalsContact C-N 3.34Å; S484-L486 PolarHBondContact O-N 2.83Å; L486-Q488 PolarHBondContact O-N 3.43Å; L486-M490 HydrophobicContact CD1-CB 3.89Å; L486-M490 HydrophobicContact CD1-CG 3.96Å; L486-M490 WeakPolarHBondContact O-CA 3.47Å; L486-M490 WeakPolarHBondContact O-CB 3.45Å; L486-M490 PolarHBondContact O-N 3.07Å; L486-V502 HydrophobicContact CD2-CG1 3.96Å; L486-V502 HydrophobicContact CD2-CG2 3.78Å
487L93.5Very high93Very high0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-65.9-35.9177.9-72.2174.4000112.5L483 S484 F485 L491 L494 V502 T503 L506 F533 L536L483-L487 PolarHBondContact O-N 2.82Å; S484-L487 PolarHBondContact O-N 2.72Å; F485-L487 PolarHBondContact O-N 2.86Å; L487-L491 HydrophobicContact CD2-CD1 4.1Å; L487-L491 VanDerWaalsContact O-CB 3.3Å; L487-L491 WeakPolarHBondContact O-CB 3.25Å; L487-L494 HydrophobicContact CD2-CD1 4.12Å; L487-V502 HydrophobicContact CD1-CG1 4.05Å; L487-V502 HydrophobicContact CD2-CB 4.24Å; L487-V502 HydrophobicContact CD2-CG1 3.59Å; L487-V502 HydrophobicContact CG-CG1 3.59Å; L487-T503 HydrophobicContact CD1-CG2 3.89Å; L487-T503 HydrophobicContact CD2-CG2 4.19Å; L487-L506 HydrophobicContact CD1-CD2 3.73Å; L487-F533 HydrophobicContact CB-CE1 4.42Å; L487-F533 HydrophobicContact CB-CZ 4.29Å; L487-F533 HydrophobicContact CD1-CZ 4.1Å; L487-L536 HydrophobicContact CB-CD1 4.22Å; L487-L536 HydrophobicContact CD1-CD1 4.35Å
488Q91.1Very high93.1Very high23 Ų2328.5 Ų28.511%0.10715%0.146CC..Hα-helixtrans-73.2-40.4-179.4177.25919.700112.2S484 F485 L486 V531 P532 T534 K535S484-Q488 VanDerWaalsContact O-CB 3.32Å; S484-Q488 WeakPolarHBondContact O-CB 3.41Å; S484-Q488 PolarHBondContact O-N 3.08Å; F485-Q488 PolarHBondContact O-N 2.88Å; L486-Q488 PolarHBondContact O-N 3.43Å; Q488-V531 HydrophobicContact CB-CG1 3.63Å; Q488-V531 HydrophobicContact CG-CG1 3.87Å; Q488-P532 PolarHBondContact NE2-O 3.38Å; Q488-P532 PolarHBondContact OE1-O 2.92Å; Q488-T534 PolarHBondContact NE2-OG1 3.5Å; Q488-T534 VanDerWaalsContact OE1-N 3.08Å; Q488-K535 VanDerWaalsContact O-CD 3.24Å; Q488-K535 WeakPolarHBondContact O-CD 3.38Å; Q488-K535 VanDerWaalsContact O-CE 3.23Å; Q488-K535 WeakPolarHBondContact O-CE 3.26Å; Q488-K535 VanDerWaalsContact OE1-N 3.1Å
489T90.3Very high93.2Very high11 Ų1129.6 Ų29.67%0.06715%0.151CC..Hα-helixtrans-101-28.9-171.766.50000114.1F447 F485F447-T489 HydrophobicContact CB-CG2 3.99Å; F447-T489 HydrophobicContact CD1-CG2 4.23Å; F447-T489 HydrophobicContact CD2-CG2 3.85Å; F447-T489 HydrophobicContact CE2-CG2 4.45Å; F447-T489 HydrophobicContact CG-CG2 3.73Å; F485-T489 HydrophobicContact CD1-CG2 4.33Å; F485-T489 HydrophobicContact CD2-CG2 4.26Å; F485-T489 HydrophobicContact CE1-CG2 3.9Å; F485-T489 WeakPolarHBondContact CE1-OG1 3.43Å; F485-T489 HydrophobicContact CE2-CG2 3.82Å; F485-T489 HydrophobicContact CG-CG2 4.48Å; F485-T489 HydrophobicContact CZ-CG2 3.61Å; F485-T489 PolarHBondContact O-N 2.76Å; F485-T489 PolarHBondContact O-OG1 2.67Å
490M91.1Very high93.2Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-112.98.3-173.4-55.7-60.3175.500114.3L440 F447 Q459 M460 L463 L486 D492 F493 L494L440-M490 HydrophobicContact CD1-CE 3.86Å; F447-M490 HydrophobicContact CE1-CE 3.69Å; F447-M490 HydrophobicContact CZ-CE 3.97Å; Q459-M490 HydrophobicContact CB-CE 3.97Å; M460-M490 HydrophobicContact CG-CB 4.05Å; M460-M490 HydrophobicContact CG-CG 4.06Å; M460-M490 HydrophobicContact SD-CB 4.27Å; L463-M490 HydrophobicContact CD1-CE 4.44Å; L463-M490 HydrophobicContact CD1-CG 4.16Å; L486-M490 HydrophobicContact CD1-CB 3.89Å; L486-M490 HydrophobicContact CD1-CG 3.96Å; L486-M490 WeakPolarHBondContact O-CA 3.47Å; L486-M490 WeakPolarHBondContact O-CB 3.45Å; L486-M490 PolarHBondContact O-N 3.07Å; M490-D492 PolarHBondContact O-N 3.43Å; M490-F493 PolarHBondContact O-N 3.2Å; M490-F493 HydrophobicContact SD-CD2 4.09Å; M490-F493 HydrophobicContact SD-CE2 4.43Å; M490-L494 PolarHBondContact O-N 3.38Å
491L91Very high93.1Very high2 Ų239.6 Ų39.61%0.0120%0.195CC..G310 helixtrans-47.6-42.1-176.6-161.258.8000114.2L487 F493 L494 K499 K535 L536 P607 M608L487-L491 HydrophobicContact CD2-CD1 4.1Å; L487-L491 VanDerWaalsContact O-CB 3.3Å; L487-L491 WeakPolarHBondContact O-CB 3.25Å; L491-F493 PolarHBondContact O-N 2.92Å; L491-L494 PolarHBondContact O-N 3.3Å; L491-K499 HydrophobicContact CD1-CG 4.42Å; L491-K535 HydrophobicContact CB-CD 4.07Å; L491-K535 HydrophobicContact CD2-CB 4.01Å; L491-K535 HydrophobicContact CD2-CD 4.11Å; L491-L536 HydrophobicContact CD2-CD2 4.11Å; L491-L536 HydrophobicContact CD2-CG 4.44Å; L491-P607 HydrophobicContact CD2-CB 4.14Å; L491-P607 HydrophobicContact CD2-CG 3.63Å; L491-M608 HydrophobicContact CD1-SD 4.04Å
492D89.4Confident93.2Very high120 Ų12039 Ų3964%0.64219%0.194SC*.G310 helixtrans-73.7-12.7-174.1-49.4-42.2000112.6M490 K535M490-D492 PolarHBondContact O-N 3.43Å; D492-K535 IonicContact OD1-NZ 3.73Å; D492-K535 IonicContact OD2-NZ 2.7Å; D492-K535 PolarHBondContact OD2-NZ 3.31Å
493F91.3Very high93.1Very high89 Ų8939.3 Ų39.339%0.3920%0.195SC..G310 helixtrans-102.6-10.1178.4-59.9-74.7000113.5H452 A456 M460 M490 L491H452-F493 HydrophobicContact CB-CE2 4.04Å; H452-F493 HydrophobicContact CB-CZ 3.69Å; H452-F493 AromaticContact CD2-CE2 3.41Å; H452-F493 VanDerWaalsContact CD2-CE2 3.41Å; H452-F493 WeakPolarHBondContact CD2-CE2 3.39Å; H452-F493 AromaticContact CD2-CZ 3.75Å; H452-F493 AromaticContact CG-CE2 3.66Å; H452-F493 AromaticContact CG-CZ 3.49Å; H452-F493 VanDerWaalsContact CG-CZ 3.49Å; H452-F493 AromaticContact ND1-CZ 3.95Å; H452-F493 AromaticContact NE2-CE2 3.99Å; A456-F493 HydrophobicContact CB-CB 4.02Å; A456-F493 HydrophobicContact CB-CD1 3.53Å; A456-F493 HydrophobicContact CB-CD2 3.96Å; A456-F493 HydrophobicContact CB-CE1 3.91Å; A456-F493 HydrophobicContact CB-CE2 4.31Å; A456-F493 HydrophobicContact CB-CG 3.56Å; A456-F493 HydrophobicContact CB-CZ 4.28Å; M460-F493 HydrophobicContact CE-CB 4.12Å; M460-F493 HydrophobicContact SD-CB 3.84Å; M490-F493 PolarHBondContact O-N 3.2Å; M490-F493 HydrophobicContact SD-CD2 4.09Å; M490-F493 HydrophobicContact SD-CE2 4.43Å; L491-F493 PolarHBondContact O-N 2.92Å
494L92.4Very high93.1Very high9 Ų944.4 Ų44.45%0.04722%0.219CC..SBendtrans-83.1134.1178.2-65.1170.7000110M460 L487 M490 L491 E498 K499M460-L494 HydrophobicContact SD-CD2 3.67Å; M460-L494 HydrophobicContact SD-CG 4.26Å; L487-L494 HydrophobicContact CD2-CD1 4.12Å; M490-L494 PolarHBondContact O-N 3.38Å; L491-L494 PolarHBondContact O-N 3.3Å; L494-E498 HydrophobicContact CB-CB 4.3Å; L494-E498 HydrophobicContact CD2-CB 4Å; L494-K499 HydrophobicContact CB-CG 3.74Å; L494-K499 HydrophobicContact CD1-CG 4.42Å; L494-K499 VanDerWaalsContact O-CE 3.32Å; L494-K499 WeakPolarHBondContact O-CE 3.25Å
495S94.1Very high93.1Very high58 Ų5846.4 Ų46.441%0.40623%0.233SC..  trans-66.9160.8165.364.70000111.1Q497 E498 K499S495-Q497 PolarHBondContact O-N 3.42Å; S495-E498 VanDerWaalsContact CB-OE2 3.32Å; S495-E498 WeakPolarHBondContact CB-OE2 3.34Å; S495-E498 PolarHBondContact N-OE2 3.06Å; S495-E498 PolarHBondContact O-N 2.72Å; S495-E498 VanDerWaalsContact O-N 3.1Å; S495-E498 VanDerWaalsContact OG-CD 3.28Å; S495-E498 VanDerWaalsContact OG-CG 3.25Å; S495-E498 WeakPolarHBondContact OG-CG 3.44Å; S495-E498 PolarHBondContact OG-N 3.3Å; S495-E498 PolarHBondContact OG-OE2 2.86Å; S495-K499 WeakPolarHBondContact O-CG 3.31Å; S495-K499 PolarHBondContact O-N 2.92Å
496D93.7Very high93.1Very high81 Ų8146.4 Ų46.443%0.43323%0.233SC..Hα-helixtrans-61.9-31.3-178.9-67.3-25.9000113.3K499 K500 P609D496-K499 IonicContact OD1-NZ 2.71Å; D496-K499 PolarHBondContact OD1-NZ 2.94Å; D496-K500 PolarHBondContact O-N 2.89Å; D496-P609 HydrophobicContact CB-CB 4.1Å; D496-P609 HydrophobicContact CB-CG 3.77Å
497Q94.2Very high93.1Very high109 Ų10950.8 Ų50.851%0.50925%0.254SS..Hα-helixtrans-68.2-47173-178.158.231.500111.3S495 K499 K500 E501S495-Q497 PolarHBondContact O-N 3.42Å; Q497-K499 VanDerWaalsContact C-N 3.35Å; Q497-K499 PolarHBondContact O-N 2.95Å; Q497-K500 WeakPolarHBondContact O-CB 3.48Å; Q497-K500 PolarHBondContact O-N 3.23Å; Q497-K500 VanDerWaalsContact O-N 3.15Å; Q497-E501 PolarHBondContact NE2-OE1 2.82Å; Q497-E501 WeakPolarHBondContact O-CG 3.25Å; Q497-E501 PolarHBondContact O-N 2.88Å
498E94Very high93.1Very high70 Ų7055.4 Ų55.433%0.32728%0.278SS..Hα-helixtrans-63.7-39.7177-70.7165.113300111.7L494 S495 K500 E501 V502L494-E498 HydrophobicContact CB-CB 4.3Å; L494-E498 HydrophobicContact CD2-CB 4Å; S495-E498 VanDerWaalsContact CB-OE2 3.32Å; S495-E498 WeakPolarHBondContact CB-OE2 3.34Å; S495-E498 PolarHBondContact N-OE2 3.06Å; S495-E498 PolarHBondContact O-N 2.72Å; S495-E498 VanDerWaalsContact O-N 3.1Å; S495-E498 VanDerWaalsContact OG-CD 3.28Å; S495-E498 VanDerWaalsContact OG-CG 3.25Å; S495-E498 WeakPolarHBondContact OG-CG 3.44Å; S495-E498 PolarHBondContact OG-N 3.3Å; S495-E498 PolarHBondContact OG-OE2 2.86Å; E498-K500 VanDerWaalsContact C-N 3.25Å; E498-K500 PolarHBondContact O-N 3.19Å; E498-E501 PolarHBondContact O-N 2.87Å; E498-V502 WeakPolarHBondContact O-CB 3.44Å; E498-V502 WeakPolarHBondContact O-CG2 3.17Å; E498-V502 PolarHBondContact O-N 3.27Å
499K94.4Very high93.1Very high24 Ų2455.9 Ų55.910%0.10428%0.279CS..Hα-helixtrans-54.6-44.3173.1-72.5177.5-164.1160.40110.8L491 L494 S495 D496 Q497 T503 M608L491-K499 HydrophobicContact CD1-CG 4.42Å; L494-K499 HydrophobicContact CB-CG 3.74Å; L494-K499 HydrophobicContact CD1-CG 4.42Å; L494-K499 VanDerWaalsContact O-CE 3.32Å; L494-K499 WeakPolarHBondContact O-CE 3.25Å; S495-K499 WeakPolarHBondContact O-CG 3.31Å; S495-K499 PolarHBondContact O-N 2.92Å; D496-K499 IonicContact OD1-NZ 2.71Å; D496-K499 PolarHBondContact OD1-NZ 2.94Å; Q497-K499 VanDerWaalsContact C-N 3.35Å; Q497-K499 PolarHBondContact O-N 2.95Å; K499-T503 VanDerWaalsContact O-CG2 3.32Å; K499-T503 WeakPolarHBondContact O-CG2 3.35Å; K499-T503 PolarHBondContact O-N 2.94Å; K499-T503 VanDerWaalsContact O-N 3.1Å; K499-T503 PolarHBondContact O-OG1 3.3Å; K499-M608 HydrophobicContact CB-CE 3.9Å; K499-M608 HydrophobicContact CD-CE 4.49Å; K499-M608 HydrophobicContact CD-SD 4.42Å
500K93.4Very high93.2Very high116 Ų11655.9 Ų55.950%0.50428%0.279SS..Hα-helixtrans-67.5-42.3178.4-169.7178.6-179.5178.80112.6D496 Q497 E498 T503 Q504 Y610D496-K500 PolarHBondContact O-N 2.89Å; Q497-K500 WeakPolarHBondContact O-CB 3.48Å; Q497-K500 PolarHBondContact O-N 3.23Å; Q497-K500 VanDerWaalsContact O-N 3.15Å; E498-K500 VanDerWaalsContact C-N 3.25Å; E498-K500 PolarHBondContact O-N 3.19Å; K500-T503 PolarHBondContact O-OG1 2.99Å; K500-T503 VanDerWaalsContact O-OG1 3.1Å; K500-Q504 VanDerWaalsContact O-CB 3.24Å; K500-Q504 WeakPolarHBondContact O-CB 3.32Å; K500-Q504 PolarHBondContact O-N 2.91Å; K500-Y610 HydrophobicContact CB-CE1 4.13Å; K500-Y610 HydrophobicContact CG-CE1 4.36Å
501E94.4Very high93.2Very high98 Ų9860.4 Ų60.446%0.45831%0.311SS..Hα-helixtrans-67.3-39.8178.9-71.4173.8-168.600112.4Q497 E498 S505Q497-E501 PolarHBondContact NE2-OE1 2.82Å; Q497-E501 WeakPolarHBondContact O-CG 3.25Å; Q497-E501 PolarHBondContact O-N 2.88Å; E498-E501 PolarHBondContact O-N 2.87Å; E501-S505 VanDerWaalsContact O-CB 3.28Å; E501-S505 WeakPolarHBondContact O-CB 3.28Å; E501-S505 PolarHBondContact O-N 3.34Å; E501-S505 PolarHBondContact O-OG 2.99Å
502V94.9Very high93Very high3 Ų368.2 Ų68.22%0.01835%0.345CS..Hα-helixtrans-67.9-45.3178.4172.70000111L483 L486 L487 E498 S505 L506L483-V502 HydrophobicContact CD2-CG1 3.98Å; L486-V502 HydrophobicContact CD2-CG1 3.96Å; L486-V502 HydrophobicContact CD2-CG2 3.78Å; L487-V502 HydrophobicContact CD1-CG1 4.05Å; L487-V502 HydrophobicContact CD2-CB 4.24Å; L487-V502 HydrophobicContact CD2-CG1 3.59Å; L487-V502 HydrophobicContact CG-CG1 3.59Å; E498-V502 WeakPolarHBondContact O-CB 3.44Å; E498-V502 WeakPolarHBondContact O-CG2 3.17Å; E498-V502 PolarHBondContact O-N 3.27Å; V502-S505 WeakPolarHBondContact O-CB 3.32Å; V502-S505 PolarHBondContact O-N 3.37Å; V502-L506 WeakPolarHBondContact O-CB 3.38Å; V502-L506 PolarHBondContact O-N 3.25Å
503T94.8Very high93Very high5 Ų564.5 Ų64.53%0.03133%0.328CS..Hα-helixtrans-68.7-41.9178540000112.3L487 K499 K500 S505 L506 E507 M608 Y610 F666L487-T503 HydrophobicContact CD1-CG2 3.89Å; L487-T503 HydrophobicContact CD2-CG2 4.19Å; K499-T503 VanDerWaalsContact O-CG2 3.32Å; K499-T503 WeakPolarHBondContact O-CG2 3.35Å; K499-T503 PolarHBondContact O-N 2.94Å; K499-T503 VanDerWaalsContact O-N 3.1Å; K499-T503 PolarHBondContact O-OG1 3.3Å; K500-T503 PolarHBondContact O-OG1 2.99Å; K500-T503 VanDerWaalsContact O-OG1 3.1Å; T503-S505 VanDerWaalsContact C-N 3.26Å; T503-S505 PolarHBondContact O-N 3.41Å; T503-L506 WeakPolarHBondContact O-CA 3.46Å; T503-L506 WeakPolarHBondContact O-CB 3.49Å; T503-L506 PolarHBondContact O-N 3.13Å; T503-E507 WeakPolarHBondContact O-CG 3.4Å; T503-E507 PolarHBondContact O-N 3.11Å; T503-M608 HydrophobicContact CG2-CE 3.67Å; T503-Y610 WeakPolarHBondContact CB-OH 3.38Å; T503-Y610 WeakPolarHBondContact CG2-OH 3.48Å; T503-Y610 PolarHBondContact OG1-OH 3.45Å; T503-F666 HydrophobicContact CG2-CD2 3.93Å; T503-F666 HydrophobicContact CG2-CE1 4.49Å; T503-F666 HydrophobicContact CG2-CE2 3.47Å; T503-F666 VanDerWaalsContact CG2-CE2 3.47Å; T503-F666 HydrophobicContact CG2-CZ 3.78Å
504Q94.4Very high92.8Very high110 Ų11065.1 Ų65.151%0.51434%0.34SS..Hα-helixtrans-61.4-38.9174.6-173.7174.734.400111.3K500 N508K500-Q504 VanDerWaalsContact O-CB 3.24Å; K500-Q504 WeakPolarHBondContact O-CB 3.32Å; K500-Q504 PolarHBondContact O-N 2.91Å; Q504-N508 WeakPolarHBondContact O-CB 3.49Å; Q504-N508 PolarHBondContact O-N 3.15Å; Q504-N508 VanDerWaalsContact O-N 3.1Å; Q504-N508 PolarHBondContact O-ND2 3.5Å
505S94.2Very high92.5Very high47 Ų4765.1 Ų65.133%0.32934%0.343SS..Hα-helixtrans-63-43.6172.3-64.80000111.5E501 V502 T503 N508 Y509E501-S505 VanDerWaalsContact O-CB 3.28Å; E501-S505 WeakPolarHBondContact O-CB 3.28Å; E501-S505 PolarHBondContact O-N 3.34Å; E501-S505 PolarHBondContact O-OG 2.99Å; V502-S505 WeakPolarHBondContact O-CB 3.32Å; V502-S505 PolarHBondContact O-N 3.37Å; T503-S505 VanDerWaalsContact C-N 3.26Å; T503-S505 PolarHBondContact O-N 3.41Å; S505-N508 PolarHBondContact O-N 2.89Å; S505-Y509 WeakPolarHBondContact O-CD2 3.49Å; S505-Y509 PolarHBondContact O-N 3.35Å; S505-Y509 VanDerWaalsContact O-N 3.14Å
506L95.1Very high92Very high0 Ų064.3 Ų64.30%034%0.344CS..Hα-helixtrans-60.3-51.6178.6-179.661.9000111.4V480 L483 L487 V502 T503 N508 Y509 T510 F533 F666 V668V480-L506 HydrophobicContact CB-CD1 4.43Å; V480-L506 HydrophobicContact CG1-CD1 3.93Å; L483-L506 HydrophobicContact CB-CB 4.43Å; L483-L506 HydrophobicContact CB-CD1 3.97Å; L483-L506 HydrophobicContact CD1-CB 4.39Å; L487-L506 HydrophobicContact CD1-CD2 3.73Å; V502-L506 WeakPolarHBondContact O-CB 3.38Å; V502-L506 PolarHBondContact O-N 3.25Å; T503-L506 WeakPolarHBondContact O-CA 3.46Å; T503-L506 WeakPolarHBondContact O-CB 3.49Å; T503-L506 PolarHBondContact O-N 3.13Å; L506-N508 VanDerWaalsContact C-N 3.29Å; L506-N508 PolarHBondContact O-N 3.49Å; L506-Y509 PolarHBondContact O-N 3.4Å; L506-T510 HydrophobicContact CD1-CG2 3.92Å; L506-T510 HydrophobicContact CG-CG2 4.24Å; L506-T510 WeakPolarHBondContact O-CG2 3.21Å; L506-T510 PolarHBondContact O-N 3.29Å; L506-T510 PolarHBondContact O-OG1 3.15Å; L506-T510 VanDerWaalsContact O-OG1 3.12Å; L506-F533 HydrophobicContact CD2-CE2 3.96Å; L506-F533 HydrophobicContact CD2-CZ 3.77Å; L506-F666 HydrophobicContact CD2-CB 3.94Å; L506-F666 HydrophobicContact CD2-CD2 4.41Å; L506-F666 HydrophobicContact CG-CB 4.29Å; L506-V668 HydrophobicContact CD1-CG2 3.92Å; L506-V668 HydrophobicContact CD2-CG2 3.98Å; L506-V668 HydrophobicContact CG-CG2 4.17Å
507E93.4Very high91.6Very high92 Ų9263.5 Ų63.543%0.4334%0.338SS..Hα-helixtrans-56.4-42.5176.7-70.9-179147.600112.3T503 Y509 T510 S511 F666T503-E507 WeakPolarHBondContact O-CG 3.4Å; T503-E507 PolarHBondContact O-N 3.11Å; E507-Y509 VanDerWaalsContact C-N 3.28Å; E507-Y509 PolarHBondContact O-N 3.22Å; E507-T510 VanDerWaalsContact CA-OG1 3.29Å; E507-T510 WeakPolarHBondContact CA-OG1 3.43Å; E507-T510 PolarHBondContact O-N 3.27Å; E507-T510 PolarHBondContact O-OG1 3.2Å; E507-S511 WeakPolarHBondContact O-CB 3.34Å; E507-S511 PolarHBondContact O-N 2.84Å; E507-F666 HydrophobicContact CG-CB 3.85Å; E507-F666 HydrophobicContact CG-CD1 3.88Å; E507-F666 HydrophobicContact CG-CG 4.24Å; E507-F666 VanDerWaalsContact OE1-CD1 3.26Å; E507-F666 WeakPolarHBondContact OE1-CD1 3.15Å
508N93Very high91.2Very high96 Ų9666 Ų6651%0.51335%0.35SS..Hα-helixtrans-61.7-35.4177-76.9-32.5000112.5Q504 S505 L506 S511Q504-N508 WeakPolarHBondContact O-CB 3.49Å; Q504-N508 PolarHBondContact O-N 3.15Å; Q504-N508 VanDerWaalsContact O-N 3.1Å; Q504-N508 PolarHBondContact O-ND2 3.5Å; S505-N508 PolarHBondContact O-N 2.89Å; L506-N508 VanDerWaalsContact C-N 3.29Å; L506-N508 PolarHBondContact O-N 3.49Å; N508-S511 PolarHBondContact O-OG 3.23Å
509Y91.5Very high90.9Very high34 Ų3466.3 Ų66.313%0.13336%0.356CS..Hα-helixtrans-82.6-38176.8-67.1-63000112.8R471 L483 S505 L506 E507 S511 K512 C513R471-Y509 VanDerWaalsContact CD-OH 3.22Å; R471-Y509 WeakPolarHBondContact CD-OH 3.21Å; R471-Y509 HydrophobicContact CG-CE1 4.06Å; R471-Y509 PolarHBondContact NH1-OH 2.96Å; L483-Y509 HydrophobicContact CD1-CD2 3.55Å; L483-Y509 HydrophobicContact CD1-CE2 3.88Å; S505-Y509 WeakPolarHBondContact O-CD2 3.49Å; S505-Y509 PolarHBondContact O-N 3.35Å; S505-Y509 VanDerWaalsContact O-N 3.14Å; L506-Y509 PolarHBondContact O-N 3.4Å; E507-Y509 VanDerWaalsContact C-N 3.28Å; E507-Y509 PolarHBondContact O-N 3.22Å; Y509-S511 PolarHBondContact O-N 3.12Å; Y509-K512 PolarHBondContact O-N 3.41Å; Y509-C513 PolarHBondContact O-N 2.87Å
510T93.4Very high90.6Very high11 Ų1167.1 Ų67.17%0.06736%0.362CS..Hα-helixtrans-66.5-27.5178.453.60000112.2V480 L506 E507 K512 C513 F666 G667 V668V480-T510 HydrophobicContact CG1-CG2 3.77Å; V480-T510 HydrophobicContact CG2-CG2 3.98Å; L506-T510 HydrophobicContact CD1-CG2 3.92Å; L506-T510 HydrophobicContact CG-CG2 4.24Å; L506-T510 WeakPolarHBondContact O-CG2 3.21Å; L506-T510 PolarHBondContact O-N 3.29Å; L506-T510 PolarHBondContact O-OG1 3.15Å; L506-T510 VanDerWaalsContact O-OG1 3.12Å; E507-T510 VanDerWaalsContact CA-OG1 3.29Å; E507-T510 WeakPolarHBondContact CA-OG1 3.43Å; E507-T510 PolarHBondContact O-N 3.27Å; E507-T510 PolarHBondContact O-OG1 3.2Å; T510-K512 PolarHBondContact O-N 3.33Å; T510-K512 VanDerWaalsContact O-N 3.14Å; T510-C513 WeakPolarHBondContact CA-O 3.25Å; T510-C513 CarbonylContact O-C 3.5Å; T510-C513 PolarHBondContact O-N 3.32Å; T510-F666 WeakPolarHBondContact CB-O 3.33Å; T510-F666 WeakPolarHBondContact CG2-O 3.49Å; T510-F666 PolarHBondContact OG1-O 3.46Å; T510-G667 WeakPolarHBondContact CG2-O 3.28Å; T510-V668 HydrophobicContact CG2-CG2 3.77Å
511S90Very high90.4Very high94 Ų9465.5 Ų65.566%0.65736%0.362SS*.THydrogen-bonded Turntrans-57.4-25169.375.40000114E507 N508 Y509E507-S511 WeakPolarHBondContact O-CB 3.34Å; E507-S511 PolarHBondContact O-N 2.84Å; N508-S511 PolarHBondContact O-OG 3.23Å; Y509-S511 PolarHBondContact O-N 3.12Å
512K87.9Confident89.9Confident166 Ų16662 Ų6272%0.72235%0.345SS*.THydrogen-bonded Turntrans-99.9-34.8178.7-60.1-179.5-177-179.90112.8Y509 T510Y509-K512 PolarHBondContact O-N 3.41Å; T510-K512 PolarHBondContact O-N 3.33Å; T510-K512 VanDerWaalsContact O-N 3.14Å
513C88.6Confident89Confident42 Ų4268.4 Ų68.428%0.28439%0.391SS..SBendtrans-146.797.9-177.1-177.30000108.1P476 Y509 T510 G515P476-C513 HydrophobicContact CB-CB 4.21Å; P476-C513 HydrophobicContact CG-CB 4.07Å; Y509-C513 PolarHBondContact O-N 2.87Å; T510-C513 WeakPolarHBondContact CA-O 3.25Å; T510-C513 CarbonylContact O-C 3.5Å; T510-C513 PolarHBondContact O-N 3.32Å; C513-G515 PolarHBondContact O-N 3.1Å
514P87.6Confident87.9Confident102 Ų10272.5 Ų72.566%0.66241%0.413SS*.  trans-52.2140.5178.7-26.934.7000111.6
515G84.6Confident87.1Confident9 Ų969.6 Ų69.69%0.09341%0.412CS..BIsolated β-bridgetrans-79.6141.1173.200000110.2C513 G667 S669C513-G515 PolarHBondContact O-N 3.1Å; G515-G667 PolarHBondContact N-O 3.02Å; G515-S669 PolarHBondContact O-N 3.35Å
516G85.6Confident86.7Confident42 Ų4271.1 Ų71.143%0.43342%0.416SS..  trans-149-175179.700000113.4E518G516-E518 PolarHBondContact O-N 3.23Å
517M83.9Confident86.4Confident63 Ų6378 Ų7831%0.3145%0.446SS..SBendtrans-87.321.7-176-65.3-60.7-69.700113.9P530 P532 D671M517-P530 HydrophobicContact CB-CB 4.35Å; M517-P530 HydrophobicContact CE-CB 4.04Å; M517-P530 HydrophobicContact CE-CG 4.07Å; M517-P530 WeakPolarHBondContact O-CB 3.41Å; M517-P530 WeakPolarHBondContact O-CG 3.32Å; M517-P530 HydrophobicContact SD-CB 4.1Å; M517-P532 HydrophobicContact CE-CB 4.33Å; M517-D671 HydrophobicContact CE-CB 4.21Å; M517-D671 HydrophobicContact CG-CB 4.25Å
518E86.1Confident86.2Confident161 Ų16173.9 Ų73.975%0.75243%0.427SS*.PPolyproline II helixtrans-82.1143.3-179.1-63.3-176.8-179.800112.7G516 I520G516-E518 PolarHBondContact O-N 3.23Å; E518-I520 PolarHBondContact O-N 2.86Å
519V87.9Confident86.1Confident77 Ų7771.1 Ų71.147%0.46741%0.414SS..PPolyproline II helixtrans-80.2118.9172.6177.50000109K527V519-K527 HydrophobicContact CG1-CB 3.94Å; V519-K527 HydrophobicContact CG1-CG 4.38Å
520I88.4Confident86Confident42 Ų4271 Ų7122%0.21542%0.418CS..EExtended strand (participates in β ladder)trans-85.4119.3177.1-56.8176.2000108.6L478 R481 E518 L528L478-I520 HydrophobicContact CD2-CB 4.4Å; L478-I520 HydrophobicContact CD2-CD1 4.13Å; L478-I520 HydrophobicContact CD2-CG2 3.67Å; L478-I520 HydrophobicContact CG-CG2 4.34Å; R481-I520 HydrophobicContact CB-CD1 3.89Å; R481-I520 HydrophobicContact CG-CD1 4.15Å; E518-I520 PolarHBondContact O-N 2.86Å; I520-L528 HydrophobicContact CB-CB 4.47Å; I520-L528 PolarHBondContact N-O 3.4Å; I520-L528 VanDerWaalsContact N-O 3.15Å; I520-L528 PolarHBondContact O-N 3.15Å
521T88.1Confident85.9Confident82 Ų8270.9 Ų70.950%0.50342%0.417SS..EExtended strand (participates in β ladder)trans-100.4123.1175.2-54.10000109.7K527T521-K527 HydrophobicContact CG2-CG 4.24Å
522L84.5Confident85.8Confident23 Ų2368 Ų6812%0.1240%0.396CS..PPolyproline II helixtrans-80.5164.3175.8-63.1-177.7000111.5Y428 L432 L478 D524 G525 L526 L528Y428-L522 HydrophobicContact CE1-CD1 3.91Å; Y428-L522 HydrophobicContact CE1-CD2 4.28Å; L432-L522 HydrophobicContact CD1-CD1 3.63Å; L478-L522 HydrophobicContact CD1-CD2 3.79Å; L478-L522 HydrophobicContact CD2-CD2 4Å; L478-L522 HydrophobicContact CG-CD2 4.49Å; L522-D524 VanDerWaalsContact CB-OD1 3.25Å; L522-D524 WeakPolarHBondContact CB-OD1 3.37Å; L522-D524 PolarHBondContact O-N 3.37Å; L522-D524 VanDerWaalsContact O-N 3.15Å; L522-G525 PolarHBondContact O-N 2.99Å; L522-L526 HydrophobicContact CB-CB 4.33Å; L522-L526 HydrophobicContact CD1-CB 4.2Å; L522-L526 HydrophobicContact CD1-CD2 3.96Å; L522-L526 PolarHBondContact N-O 3.45Å; L522-L528 HydrophobicContact CD1-CD1 4.25Å; L522-L528 HydrophobicContact CD2-CD1 4.43Å; L522-L528 HydrophobicContact CG-CD1 4.27Å
523S75.3Confident85.9Confident139 Ų13960.1 Ų60.197%0.97236%0.362SS*.THydrogen-bonded Turntrans-63.6-17.6-178.353.70000114.6
524D71.9Confident85.9Confident91 Ų9159.4 Ų59.449%0.48736%0.356SS..THydrogen-bonded Turntrans-91.52.9175.1604.5000113.2L522 L526L522-D524 VanDerWaalsContact CB-OD1 3.25Å; L522-D524 WeakPolarHBondContact CB-OD1 3.37Å; L522-D524 PolarHBondContact O-N 3.37Å; L522-D524 VanDerWaalsContact O-N 3.15Å; D524-L526 VanDerWaalsContact OD1-CB 3.25Å; D524-L526 WeakPolarHBondContact OD1-CB 3.21Å; D524-L526 PolarHBondContact OD1-N 3.26Å
525G78.6Confident86Confident49 Ų4956.2 Ų56.251%0.50533%0.332SS..SBendtrans85.8-0.1-177.900000114.7L522 K527L522-G525 PolarHBondContact O-N 2.99Å; G525-K527 PolarHBondContact O-N 2.82Å
526L84.9Confident86.3Confident78 Ų7855.8 Ų55.841%0.40833%0.327SS..  trans-66.4124.1175.3-174.470.9000110.1L432 L522 D524 L528L432-L526 HydrophobicContact CD1-CD2 4Å; L522-L526 HydrophobicContact CB-CB 4.33Å; L522-L526 HydrophobicContact CD1-CB 4.2Å; L522-L526 HydrophobicContact CD1-CD2 3.96Å; L522-L526 PolarHBondContact N-O 3.45Å; D524-L526 VanDerWaalsContact OD1-CB 3.25Å; D524-L526 WeakPolarHBondContact OD1-CB 3.21Å; D524-L526 PolarHBondContact OD1-N 3.26Å; L526-L528 HydrophobicContact CD2-CD2 3.95Å; L526-L528 HydrophobicContact CG-CD2 4.26Å
527K88.4Confident86.6Confident145 Ų14553.8 Ų53.863%0.6331%0.307SS*.EExtended strand (participates in β ladder)trans-99123.6177.7-66.6-175.8-180-178.40110.1V519 T521 G525V519-K527 HydrophobicContact CG1-CB 3.94Å; V519-K527 HydrophobicContact CG1-CG 4.38Å; T521-K527 HydrophobicContact CG2-CG 4.24Å; G525-K527 PolarHBondContact O-N 2.82Å
528L89.7Confident86.9Confident5 Ų552.6 Ų52.63%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-102.6114.7178.3-60.7179.8000108.6L442 L478 R481 I520 L522 L526L442-L528 HydrophobicContact CB-CD2 4.42Å; L442-L528 HydrophobicContact CD1-CD2 4.04Å; L478-L528 HydrophobicContact CD2-CD1 3.73Å; R481-L528 VanDerWaalsContact NH1-CB 3.27Å; R481-L528 PolarHBondContact NH1-O 3.34Å; R481-L528 VanDerWaalsContact NH2-C 3.34Å; I520-L528 HydrophobicContact CB-CB 4.47Å; I520-L528 PolarHBondContact N-O 3.4Å; I520-L528 VanDerWaalsContact N-O 3.15Å; I520-L528 PolarHBondContact O-N 3.15Å; L522-L528 HydrophobicContact CD1-CD1 4.25Å; L522-L528 HydrophobicContact CD2-CD1 4.43Å; L522-L528 HydrophobicContact CG-CD1 4.27Å; L526-L528 HydrophobicContact CD2-CD2 3.95Å; L526-L528 HydrophobicContact CG-CD2 4.26Å
529P90.2Very high87.2Confident39 Ų3945.2 Ų45.225%0.25327%0.267SS..  trans-72.4148.3-174.528.8-36.2000112.8D443 R481D443-P529 HydrophobicContact CB-CG 4.25Å; R481-P529 PolarHBondContact NH1-O 3.39Å; R481-P529 PolarHBondContact NH2-O 3.28Å
530P89.9Confident87.2Confident31 Ų3146.4 Ų46.420%0.20126%0.263CS..  trans-58.2155.1179.827-37.2000112.9M517 P532M517-P530 HydrophobicContact CB-CB 4.35Å; M517-P530 HydrophobicContact CE-CB 4.04Å; M517-P530 HydrophobicContact CE-CG 4.07Å; M517-P530 WeakPolarHBondContact O-CB 3.41Å; M517-P530 WeakPolarHBondContact O-CG 3.32Å; M517-P530 HydrophobicContact SD-CB 4.1Å; P530-P532 WeakPolarHBondContact O-CD 3.39Å
531V91.1Very high87.3Confident9 Ų946.8 Ų46.86%0.05527%0.27CS..  trans-106.3101.5-179-174.50000109.5P444 R481 F485 Q488 F533P444-V531 HydrophobicContact CG-CB 4.29Å; P444-V531 HydrophobicContact CG-CG1 4.16Å; P444-V531 HydrophobicContact CG-CG2 4.01Å; R481-V531 HydrophobicContact CG-CG2 4.32Å; F485-V531 HydrophobicContact CB-CG2 4.07Å; F485-V531 HydrophobicContact CD2-CG2 4.06Å; Q488-V531 HydrophobicContact CB-CG1 3.63Å; Q488-V531 HydrophobicContact CG-CG1 3.87Å; V531-F533 PolarHBondContact O-N 2.92Å
532P88.6Confident87.4Confident33 Ų3344 Ų4421%0.21425%0.253CS..  trans-73.2123.717629.1-32.8000110.2Q488 M517 P530 T534Q488-P532 PolarHBondContact NE2-O 3.38Å; Q488-P532 PolarHBondContact OE1-O 2.92Å; M517-P532 HydrophobicContact CE-CB 4.33Å; P530-P532 WeakPolarHBondContact O-CD 3.39Å; P532-T534 HydrophobicContact CB-CG2 4.14Å; P532-T534 HydrophobicContact CG-CG2 4.41Å; P532-T534 PolarHBondContact O-N 2.97Å
533F89.9Confident87.7Confident1 Ų149.2 Ų49.20%0.00427%0.274CS..  trans-73.868.6175.4-89.29.3000112.8S484 L487 L506 V531 K535 V665 V668 S670S484-F533 WeakPolarHBondContact O-CE1 3.43Å; L487-F533 HydrophobicContact CB-CE1 4.42Å; L487-F533 HydrophobicContact CB-CZ 4.29Å; L487-F533 HydrophobicContact CD1-CZ 4.1Å; L506-F533 HydrophobicContact CD2-CE2 3.96Å; L506-F533 HydrophobicContact CD2-CZ 3.77Å; V531-F533 PolarHBondContact O-N 2.92Å; F533-K535 VanDerWaalsContact C-N 3.3Å; F533-V665 HydrophobicContact CD2-CB 4.38Å; F533-V668 HydrophobicContact CD2-CB 4.34Å; F533-V668 HydrophobicContact CD2-CG1 4.49Å; F533-V668 HydrophobicContact CE2-CB 4.13Å; F533-V668 HydrophobicContact CE2-CG1 4.47Å; F533-V668 HydrophobicContact CE2-CG2 4.23Å; F533-V668 HydrophobicContact CZ-CG2 4.48Å; F533-S670 WeakPolarHBondContact CB-OG 3.36Å; F533-S670 PolarHBondContact N-OG 2.84Å; F533-S670 VanDerWaalsContact N-OG 3.17Å
534T89.5Confident88.5Confident27 Ų2742.9 Ų42.917%0.16623%0.229CC..THydrogen-bonded Turntrans-80.2-12.8176.974.60000113.3Q488 P532 C672 L677Q488-T534 PolarHBondContact NE2-OG1 3.5Å; Q488-T534 VanDerWaalsContact OE1-N 3.08Å; P532-T534 HydrophobicContact CB-CG2 4.14Å; P532-T534 HydrophobicContact CG-CG2 4.41Å; P532-T534 PolarHBondContact O-N 2.97Å; T534-C672 HydrophobicContact CG2-CB 4.3Å; T534-L677 HydrophobicContact CG2-CD2 3.84Å
535K88.8Confident89.4Confident34 Ų3440.2 Ų40.215%0.14822%0.215CC..BIsolated β-bridgetrans-89.4-13175.5-70.8-158.3-178.5-175.70114Q488 L491 D492 F533 M538 P607Q488-K535 VanDerWaalsContact O-CD 3.24Å; Q488-K535 WeakPolarHBondContact O-CD 3.38Å; Q488-K535 VanDerWaalsContact O-CE 3.23Å; Q488-K535 WeakPolarHBondContact O-CE 3.26Å; Q488-K535 VanDerWaalsContact OE1-N 3.1Å; L491-K535 HydrophobicContact CB-CD 4.07Å; L491-K535 HydrophobicContact CD2-CB 4.01Å; L491-K535 HydrophobicContact CD2-CD 4.11Å; D492-K535 IonicContact OD1-NZ 3.73Å; D492-K535 IonicContact OD2-NZ 2.7Å; D492-K535 PolarHBondContact OD2-NZ 3.31Å; F533-K535 VanDerWaalsContact C-N 3.3Å; K535-M538 HydrophobicContact CB-CG 4.47Å; K535-M538 HydrophobicContact CG-CE 4.5Å; K535-M538 WeakPolarHBondContact O-CG 3.34Å; K535-M538 PolarHBondContact O-N 3.49Å; K535-P607 WeakPolarHBondContact O-CG 3.45Å
536L91Very high90Very high1 Ų140.8 Ų40.81%0.00521%0.206CC..THydrogen-bonded Turntrans-13991.6-171.4-64.9174000110.7L487 L491 P607 M608 V665 F666L487-L536 HydrophobicContact CB-CD1 4.22Å; L487-L536 HydrophobicContact CD1-CD1 4.35Å; L491-L536 HydrophobicContact CD2-CD2 4.11Å; L491-L536 HydrophobicContact CD2-CG 4.44Å; L536-P607 HydrophobicContact CD2-CG 3.62Å; L536-M608 HydrophobicContact CD1-SD 4.48Å; L536-M608 HydrophobicContact CD2-CG 3.61Å; L536-M608 HydrophobicContact CD2-SD 3.58Å; L536-M608 VanDerWaalsContact CD2-SD 3.58Å; L536-V665 WeakPolarHBondContact O-CG2 3.45Å; L536-F666 HydrophobicContact CD1-CE2 4.29Å
537P91.8Very high90.3Very high0 Ų037.2 Ų37.20%019%0.188CC..THydrogen-bonded Turncis-78.9158.4-7.533.5-35.2000113.1V604 L612 V614 L635P537-V604 HydrophobicContact CB-CB 4.36Å; P537-L612 HydrophobicContact CB-CD2 4.28Å; P537-V614 HydrophobicContact CG-CG2 4.18Å; P537-L635 HydrophobicContact CB-CD1 3.66Å; P537-L635 HydrophobicContact CG-CD1 4.16Å
538M91Very high90.3Very high37 Ų3733.6 Ų33.618%0.18218%0.179CC..EExtended strand (participates in β ladder)trans-79.2119.5174.7-62.1-167.78400110.8K535 V604 Y605 P607K535-M538 HydrophobicContact CB-CG 4.47Å; K535-M538 HydrophobicContact CG-CE 4.5Å; K535-M538 WeakPolarHBondContact O-CG 3.34Å; K535-M538 PolarHBondContact O-N 3.49Å; M538-V604 CarbonylContact O-C 3.49Å; M538-V604 VanDerWaalsContact O-CA 3.32Å; M538-V604 WeakPolarHBondContact O-CA 3.38Å; M538-Y605 HydrophobicContact CB-CD1 4.29Å; M538-Y605 HydrophobicContact CG-CD1 4.33Å; M538-Y605 PolarHBondContact N-O 3.08Å; M538-Y605 PolarHBondContact O-N 2.74Å; M538-Y605 HydrophobicContact SD-CD1 3.97Å; M538-Y605 HydrophobicContact SD-CE1 4.32Å; M538-P607 HydrophobicContact CG-CG 4.35Å
539V91.4Very high90Very high7 Ų735.3 Ų35.34%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-92125.8172.5178.30000110.6V542 L602 V604 Y661 L677 V680V539-V542 HydrophobicContact CG1-CG2 3.97Å; V539-L602 HydrophobicContact CG1-CD2 4.23Å; V539-V604 HydrophobicContact CG2-CG1 4.08Å; V539-Y661 HydrophobicContact CB-CE1 3.94Å; V539-Y661 HydrophobicContact CG1-CE1 4.48Å; V539-Y661 HydrophobicContact CG2-CD1 4.14Å; V539-Y661 HydrophobicContact CG2-CE1 3.38Å; V539-Y661 HydrophobicContact CG2-CE2 4.14Å; V539-Y661 WeakPolarHBondContact CG2-OH 3.48Å; V539-L677 HydrophobicContact CB-CD1 4.16Å; V539-L677 HydrophobicContact CG1-CD1 4.44Å; V539-V680 HydrophobicContact CG1-CG2 4.39Å
540R89.2Confident89.6Confident101 Ų10135.5 Ų35.538%0.38119%0.192SC..EExtended strand (participates in β ladder)trans-106.5-31-177-67.9-64.8-170.8170.30.9113.9M603 L641 S679R540-M603 PolarHBondContact N-O 3.32Å; R540-L641 HydrophobicContact CB-CD2 3.93Å; R540-L641 HydrophobicContact CG-CD2 3.77Å; R540-S679 PolarHBondContact NH1-OG 2.83Å
541S89Confident89.6Confident51 Ų5135.7 Ų35.736%0.35719%0.191SC..EExtended strand (participates in β ladder)trans-150.3154.6173.164.80000111.4L602 M603S541-L602 WeakPolarHBondContact O-CA 3.34Å; S541-M603 PolarHBondContact O-N 3.2Å; S541-M603 VanDerWaalsContact OG-CB 3.31Å; S541-M603 WeakPolarHBondContact OG-CB 3Å; S541-M603 WeakPolarHBondContact OG-CG 3.47Å
542V90.4Very high89.6Confident24 Ų2439.3 Ų39.315%0.14520%0.204CC..EExtended strand (participates in β ladder)trans-129.3132.1176.1-177.20000107.5V539 V600 Q601 L602 L674 V680V539-V542 HydrophobicContact CG1-CG2 3.97Å; V542-V600 HydrophobicContact CG1-CG1 3.7Å; V542-Q601 WeakPolarHBondContact CA-O 3.4Å; V542-L602 HydrophobicContact CB-CD2 4.04Å; V542-L602 HydrophobicContact CG1-CD2 3.82Å; V542-L602 HydrophobicContact CG2-CD2 3.46Å; V542-L602 VanDerWaalsContact CG2-CD2 3.46Å; V542-L674 HydrophobicContact CB-CD1 4.34Å; V542-L674 HydrophobicContact CG1-CD1 4.29Å; V542-L674 HydrophobicContact CG2-CD1 4.07Å; V542-L674 HydrophobicContact CG2-CD2 3.62Å; V542-L674 HydrophobicContact CG2-CG 4.5Å; V542-V680 HydrophobicContact CB-CG1 4.45Å; V542-V680 HydrophobicContact CG2-CG1 3.96Å
543K90.7Very high89.7Confident131 Ų13138.3 Ų38.357%0.5720%0.197SC*.EExtended strand (participates in β ladder)trans-136.5119.2178.2-174.9-177.4177.2-172.10109.4L545 Q601K543-L545 HydrophobicContact CD-CD2 4.15Å; K543-L545 HydrophobicContact CG-CD2 4.26Å; K543-Q601 PolarHBondContact N-O 2.96Å; K543-Q601 PolarHBondContact O-N 3.23Å
544L91.7Very high89.8Confident7 Ų741.3 Ų41.34%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-72.2134.9168.2-79.166.1000108.3I588 F590 W592 V600 V658 V687L544-I588 HydrophobicContact CB-CD1 3.8Å; L544-I588 HydrophobicContact CD1-CD1 4.46Å; L544-I588 HydrophobicContact CD2-CD1 3.57Å; L544-I588 HydrophobicContact CG-CD1 4.13Å; L544-F590 HydrophobicContact CB-CZ 4.08Å; L544-W592 HydrophobicContact CB-CZ2 4.08Å; L544-W592 HydrophobicContact CD2-CH2 3.75Å; L544-W592 HydrophobicContact CD2-CZ2 3.93Å; L544-W592 HydrophobicContact CD2-CZ3 4.42Å; L544-W592 HydrophobicContact CG-CH2 3.96Å; L544-W592 HydrophobicContact CG-CZ2 3.95Å; L544-V600 HydrophobicContact CD1-CG1 4.31Å; L544-V600 HydrophobicContact CG-CG2 4.18Å; L544-V658 HydrophobicContact CD1-CB 4.31Å; L544-V658 HydrophobicContact CD1-CG2 4Å; L544-V658 HydrophobicContact CD2-CG2 4.03Å; L544-V658 HydrophobicContact CG-CG2 4.22Å; L544-V687 HydrophobicContact CD2-CB 3.99Å; L544-V687 HydrophobicContact CD2-CG1 3.68Å
545L91.8Very high89.7Confident35 Ų3546 Ų4618%0.18323%0.229CC..PPolyproline II helixtrans-97.6143.2178.3-57.9-175.3000110.2K543 F590 W592 E599 Q601K543-L545 HydrophobicContact CD-CD2 4.15Å; K543-L545 HydrophobicContact CG-CD2 4.26Å; L545-F590 VanDerWaalsContact C-CZ 3.47Å; L545-F590 WeakPolarHBondContact O-CE2 3.28Å; L545-W592 PolarHBondContact O-NE1 3.15Å; L545-E599 HydrophobicContact CB-CB 4.03Å; L545-E599 HydrophobicContact CD1-CB 3.99Å; L545-E599 HydrophobicContact CG-CB 4.34Å; L545-E599 PolarHBondContact N-O 3.01Å; L545-Q601 HydrophobicContact CD1-CB 4.19Å; L545-Q601 HydrophobicContact CD2-CB 4.27Å; L545-Q601 HydrophobicContact CG-CB 4.24Å
546N92.1Very high89.5Confident61 Ų6147.7 Ų47.733%0.32624%0.242SC..PPolyproline II helixtrans-72.7155171.8-164.3-7.7000109.2F590N546-F590 HydrophobicContact CB-CB 4.33Å; N546-F590 HydrophobicContact CB-CD1 3.79Å; N546-F590 HydrophobicContact CB-CD2 4Å; N546-F590 HydrophobicContact CB-CE1 4.01Å; N546-F590 HydrophobicContact CB-CE2 4.25Å; N546-F590 HydrophobicContact CB-CG 3.78Å; N546-F590 HydrophobicContact CB-CZ 4.25Å; N546-F590 WeakPolarHBondContact ND2-CB 3.34Å
547L90.9Very high88.6Confident3 Ų357 Ų572%0.01628%0.283CS..PPolyproline II helixtrans-58.9152.3175.2-68.7170.2000110.9L551 R552 V593 D596L547-L551 HydrophobicContact CB-CB 4.21Å; L547-R552 HydrophobicContact CB-CG 4.27Å; L547-R552 VanDerWaalsContact O-CG 3.27Å; L547-R552 WeakPolarHBondContact O-CG 3.38Å; L547-R552 PolarHBondContact O-NE 2.95Å; L547-V593 HydrophobicContact CD1-CB 4.1Å; L547-V593 HydrophobicContact CD1-CG2 3.63Å; L547-D596 HydrophobicContact CD2-CB 4.11Å
548P88.4Confident86.5Confident69 Ų6960.9 Ų60.945%0.44831%0.31SS..PPolyproline II helixtrans-51146.6168.5-25.134000110.8S550 L551 R552P548-S550 PolarHBondContact O-N 2.9Å; P548-S550 VanDerWaalsContact O-N 3.09Å; P548-L551 HydrophobicContact CG-CD1 4.47Å; P548-L551 WeakPolarHBondContact O-CA 3.48Å; P548-L551 PolarHBondContact O-N 3.05Å; P548-R552 WeakPolarHBondContact O-CG 3.5Å; P548-R552 PolarHBondContact O-N 3.41Å
549T83.3Confident84.5Confident41 Ų4167.5 Ų67.525%0.25235%0.345SS..G310 helixtrans-50.1-40.3-173.640.20000114.1L551 R552 E716T549-L551 PolarHBondContact O-N 3.31Å; T549-R552 PolarHBondContact O-N 2.85Å; T549-E716 HydrophobicContact CG2-CB 4.13Å; T549-E716 VanDerWaalsContact CG2-OE2 3.31Å; T549-E716 WeakPolarHBondContact CG2-OE2 2.94Å
550S81.2Confident82.2Confident43 Ų4375.5 Ų75.530%0.30139%0.387SS..G310 helixtrans-65.6-19.6177.355.10000115.2P548 Y859P548-S550 PolarHBondContact O-N 2.9Å; P548-S550 VanDerWaalsContact O-N 3.09Å; S550-Y859 PolarHBondContact O-OH 2.72Å
551L89.6Confident79.6Confident35 Ų3573 Ų7318%0.18339%0.393CS..G310 helixtrans-108.1-6.9-178.4-63.2-179.7000113.1L547 P548 T549 R695 R871L547-L551 HydrophobicContact CB-CB 4.21Å; P548-L551 HydrophobicContact CG-CD1 4.47Å; P548-L551 WeakPolarHBondContact O-CA 3.48Å; P548-L551 PolarHBondContact O-N 3.05Å; T549-L551 PolarHBondContact O-N 3.31Å; L551-R695 HydrophobicContact CD2-CG 3.94Å; L551-R871 PolarHBondContact O-NE 2.95Å; L551-R871 PolarHBondContact O-NH2 3.17Å; L551-R871 VanDerWaalsContact O-NH2 3.15Å
552R90.7Very high77Confident84 Ų8479.8 Ų79.832%0.31742%0.419SS..  trans-63.4131.3-177.8-72.2-179.1-169.9164.98.8110.9L547 P548 T549 H554L547-R552 HydrophobicContact CB-CG 4.27Å; L547-R552 VanDerWaalsContact O-CG 3.27Å; L547-R552 WeakPolarHBondContact O-CG 3.38Å; L547-R552 PolarHBondContact O-NE 2.95Å; P548-R552 WeakPolarHBondContact O-CG 3.5Å; P548-R552 PolarHBondContact O-N 3.41Å; T549-R552 PolarHBondContact O-N 2.85Å; R552-H554 PolarHBondContact O-CD2 3.42Å
553P92.5Very high74.2Confident12 Ų1283.5 Ų83.58%0.07845%0.446CS..EExtended strand (participates in β ladder)trans-82.1144.9175.133.4-34.8000111.5Q591 V593 I690 L693 Y869P553-Q591 HydrophobicContact CG-CB 4.09Å; P553-V593 HydrophobicContact CB-CG2 4.1Å; P553-V593 HydrophobicContact CG-CG2 3.88Å; P553-I690 HydrophobicContact CB-CD1 3.37Å; P553-I690 HydrophobicContact CB-CG1 4.43Å; P553-I690 HydrophobicContact CG-CD1 3.87Å; P553-I690 HydrophobicContact CG-CG1 4.48Å; P553-L693 HydrophobicContact CB-CD1 3.8Å; P553-Y869 HydrophobicContact CB-CD1 4.31Å
554H90.4Very high71.7Confident64 Ų6484.1 Ų84.130%0.29646%0.46SS..EExtended strand (participates in β ladder)trans-124.2138174.3-65.3-98.7000109.4R552 Y869 Y870R552-H554 PolarHBondContact O-CD2 3.42Å; H554-Y869 CarbonylContact O-C 3.57Å; H554-Y869 VanDerWaalsContact O-CA 3.25Å; H554-Y869 WeakPolarHBondContact O-CA 3.43Å; H554-Y870 HydrophobicContact CB-CD1 3.94Å; H554-Y870 HydrophobicContact CB-CD2 3.91Å; H554-Y870 HydrophobicContact CB-CE1 3.52Å; H554-Y870 HydrophobicContact CB-CE2 3.48Å; H554-Y870 VanDerWaalsContact CB-CE2 3.48Å; H554-Y870 HydrophobicContact CB-CG 4.15Å; H554-Y870 PolarHBondContact N-O 3.27Å; H554-Y870 WeakPolarHBondContact O-CD1 3.44Å; H554-Y870 PolarHBondContact O-N 3.3Å
555K88.5Confident69.1Low125 Ų12588.6 Ų88.654%0.54349%0.492SS..EExtended strand (participates in β ladder)trans-94.7131.9178.6-162.8165.3-167.8153.30110.5K557 G868 Y869K555-K557 PolarHBondContact O-N 2.52Å; K555-G868 CarbonylContact C-O 3.43Å; K555-G868 WeakPolarHBondContact CA-O 3.41Å; K555-Y869 HydrophobicContact CB-CD1 4.11Å; K555-Y869 HydrophobicContact CB-CE1 3.94Å; K555-Y869 HydrophobicContact CD-CE1 3.99Å; K555-Y869 HydrophobicContact CG-CD1 4.37Å; K555-Y869 HydrophobicContact CG-CE1 4.07Å; K555-Y869 PolarHBondContact NZ-OH 3.18Å; K555-Y869 VanDerWaalsContact NZ-OH 3.14Å
556V84.8Confident66.5Low70 Ų7093 Ų9342%0.42452%0.521SS..  trans-61.6119.7174.6-171.70000108.8S558 G868 Y870V556-S558 PolarHBondContact O-N 2.97Å; V556-S558 VanDerWaalsContact O-N 3.1Å; V556-G868 VanDerWaalsContact CG2-O 3.31Å; V556-G868 WeakPolarHBondContact CG2-O 3.42Å; V556-G868 PolarHBondContact N-O 2.78Å; V556-Y870 HydrophobicContact CG2-CD1 3.85Å; V556-Y870 HydrophobicContact CG2-CE1 4.27Å
557K71.7Confident63.9Low196 Ų19694.3 Ų94.385%0.85254%0.54SS*.  trans-72.2102.5172.6-69-178.6-178.7175.60108.4K555 L559K555-K557 PolarHBondContact O-N 2.52Å; K557-L559 PolarHBondContact O-N 2.91Å
558S47.4Very low61.5Low82 Ų8297.6 Ų97.657%0.57356%0.563SS**  trans-67.1123.2174.2179.60000110.4V556 L560V556-S558 PolarHBondContact O-N 2.97Å; V556-S558 VanDerWaalsContact O-N 3.1Å; S558-L560 PolarHBondContact O-N 2.86Å; S558-L560 PolarHBondContact OG-N 3.24Å
559L48.6Very low59.6Low177 Ų177100 Ų10093%0.92758%0.578SS**THydrogen-bonded Turntrans-69.7-11.5173-71.4166.3000112.8K557K557-L559 PolarHBondContact O-N 2.91Å
560L43Very low57.7Low174 Ų174105.5 Ų105.591%0.91160%0.599SS**THydrogen-bonded Turntrans-105.715.5-175.6-84.1156.6000114S558S558-L560 PolarHBondContact O-N 2.86Å; S558-L560 PolarHBondContact OG-N 3.24Å
561G35.9Very low56.2Low49 Ų49111.2 Ų111.251%0.50563%0.625SS.*  trans-140.553-178.300000113.2S563G561-S563 PolarHBondContact O-N 2.99Å
562Q34Very low53.9Low193 Ų193119 Ų11990%0.90265%0.653SS**  trans-68.874.2156.7-78.8-176.7-2.500108.6V564Q562-V564 PolarHBondContact O-N 3.15Å
563S31.8Very low51.3Low102 Ų102118.9 Ų118.971%0.71367%0.665SS**  trans-64.7126.6153.466.20000106.3G561 S565G561-S563 PolarHBondContact O-N 2.99Å; S563-S565 VanDerWaalsContact C-N 3.28Å; S563-S565 PolarHBondContact O-N 2.94Å
564V36.7Very low48.7Very low145 Ų145123.8 Ų123.888%0.87970%0.697SS**  trans-45.488.2177.6-172.40000110.8Q562Q562-V564 PolarHBondContact O-N 3.15Å
565S37.1Very low46.5Very low100 Ų100127.5 Ų127.570%0.69972%0.718SS**  trans-92.2121.3166.5164.80000105.7S563 A567S563-S565 VanDerWaalsContact C-N 3.28Å; S563-S565 PolarHBondContact O-N 2.94Å; S565-A567 PolarHBondContact O-N 2.82Å
566T37.3Very low44.5Very low129 Ų129128.9 Ų128.979%0.79173%0.729SS**  trans-63.768-173.349.40000113
567A38.8Very low42.2Very low88 Ų88133.4 Ų133.473%0.72775%0.748SS**  trans-10285.2161.900000107.9S565S565-A567 PolarHBondContact O-N 2.82Å
568S39.5Very low40.5Very low71 Ų71131.6 Ų131.650%0.49774%0.742SS.*  trans-58.4136.1165.7173.60000109F570S568-F570 PolarHBondContact O-N 2.9Å; S568-F570 PolarHBondContact OG-N 3.39Å
569P48.3Very low39.7Very low119 Ų119135.7 Ų135.777%0.77376%0.757SS**SBendtrans-72.4-2.2174.6-3.819.8000112.7
570F44.7Very low39.3Very low157 Ų157138.2 Ų138.269%0.68976%0.755SS**  trans-96.9117.4-177.7-65.5-82.3000111.1S568 Y572S568-F570 PolarHBondContact O-N 2.9Å; S568-F570 PolarHBondContact OG-N 3.39Å; F570-Y572 PolarHBondContact O-N 3.42Å
571I49.1Very low38.9Very low164 Ų164132.8 Ų132.884%0.84174%0.74SS**SBendtrans-63.7-8.2-178.2-63.8173.2000113.1
572Y40.8Very low39.2Very low197 Ų197138 Ų13877%0.77375%0.752SS**  trans-138.2115.5172.1-92.8-94.8000111.4F570F570-Y572 PolarHBondContact O-N 3.42Å
573S36Very low39.5Very low82 Ų82136.8 Ų136.857%0.57375%0.746SS**  trans-13796.8163.6-83.80000109.5I575S573-I575 VanDerWaalsContact C-N 3.28Å; S573-I575 PolarHBondContact O-N 3.19Å
574P38.1Very low40.2Very low115 Ų115141.1 Ų141.175%0.74775%0.747SS**THydrogen-bonded Turntrans-81.725.5-173.7-10.127.9000115.7
575I44.8Very low40.7Very low142 Ų142137 Ų13773%0.72872%0.724SS**THydrogen-bonded Turntrans-133.517.5-168.1-45.5179000114.3S573 M577S573-I575 VanDerWaalsContact C-N 3.28Å; S573-I575 PolarHBondContact O-N 3.19Å; I575-M577 VanDerWaalsContact C-N 3.27Å; I575-M577 PolarHBondContact O-N 3.28Å
576I46.3Very low41.8Very low154 Ų154139.8 Ų139.879%0.7972%0.723SS**  trans-84.783.6162.2-55.2-179.8000107.6H578I576-H578 PolarHBondContact O-N 3.34Å
577M35.3Very low43Very low165 Ų165138.9 Ų138.981%0.81371%0.708SS**  trans-55.3128.8174-75.8179.191.200110.5I575 N579I575-M577 VanDerWaalsContact C-N 3.27Å; I575-M577 PolarHBondContact O-N 3.28Å; M577-N579 PolarHBondContact O-N 2.91Å
578H36.1Very low45Very low158 Ų158136 Ų13673%0.73168%0.681SS**  trans-28107.9166-68.3-74.4000116I576 R580I576-H578 PolarHBondContact O-N 3.34Å; H578-R580 HydrophobicContact CB-CG 4.27Å; H578-R580 PolarHBondContact O-N 3.37Å; H578-R580 VanDerWaalsContact O-N 3.07Å
579N31.8Very low47.1Very low168 Ų168140 Ų14090%0.89870%0.697SS**  trans-73.584.3144-86.8-12.3000107.9M577 G581M577-N579 PolarHBondContact O-N 2.91Å; N579-G581 PolarHBondContact O-N 2.94Å; N579-G581 VanDerWaalsContact O-N 3.1Å
580R40Very low49.2Very low231 Ų231135.6 Ų135.687%0.87267%0.665SS**  trans-76.979.5161.7-88.2-176.5177.9-1700.2108.2H578H578-R580 HydrophobicContact CB-CG 4.27Å; H578-R580 PolarHBondContact O-N 3.37Å; H578-R580 VanDerWaalsContact O-N 3.07Å
581G35Very low51.4Low59 Ų59130.6 Ų130.661%0.60864%0.644SS**  trans-114.7134.9156.700000108N579 E583N579-G581 PolarHBondContact O-N 2.94Å; N579-G581 VanDerWaalsContact O-N 3.1Å; G581-E583 PolarHBondContact O-N 2.84Å
582E41.4Very low53.6Low158 Ų158122.9 Ų122.974%0.73860%0.604SS**  trans-57.995-176.6-72.8176.2108.500113.3R584E582-R584 IonicContact OE1-CZ 3.47Å; E582-R584 IonicContact OE1-NE 3.28Å; E582-R584 PolarHBondContact OE1-NE 2.96Å; E582-R584 IonicContact OE1-NH2 3.32Å; E582-R584 PolarHBondContact OE1-NH2 3.18Å
583E41.4Very low56.1Low169 Ų169113.5 Ų113.579%0.7957%0.567SS**  trans-91.493.6159.4-78-171.9171.800109.3G581 C585G581-E583 PolarHBondContact O-N 2.84Å; E583-C585 PolarHBondContact O-N 2.91Å
584R45.1Very low58.9Low193 Ų193112.2 Ų112.273%0.72855%0.553SS**  trans-71.4-8.4179.5-74.7-174.5-177.9-177.34114.5E582E582-R584 IonicContact OE1-CZ 3.47Å; E582-R584 IonicContact OE1-NE 3.28Å; E582-R584 PolarHBondContact OE1-NE 2.96Å; E582-R584 IonicContact OE1-NH2 3.32Å; E582-R584 PolarHBondContact OE1-NH2 3.18Å
585C48.7Very low61.4Low59 Ų59108.4 Ų108.440%0.39953%0.534SS..  trans-135.598.7179-71.40000111.5E583 K587E583-C585 PolarHBondContact O-N 2.91Å; C585-K587 PolarHBondContact O-N 3.45Å
586K58.6Low63.7Low157 Ų157101.9 Ų101.968%0.68350%0.501SS*.PPolyproline II helixtrans-64.2120.7165.9-65.9-173.2176.9-175.50108.8
587K63.8Low65.9Low110 Ų11098 Ų9848%0.47848%0.484SS..EExtended strand (participates in β ladder)trans-61.1134171.4-170.7174.8176.7177.60109C585 L686 E688C585-K587 PolarHBondContact O-N 3.45Å; K587-L686 HydrophobicContact CB-CD2 4.44Å; K587-E688 WeakPolarHBondContact CE-OE2 3.44Å; K587-E688 VanDerWaalsContact NZ-CD 3.27Å; K587-E688 IonicContact NZ-OE1 3.46Å; K587-E688 IonicContact NZ-OE2 3.76Å; K587-E688 PolarHBondContact NZ-OE2 3.5Å
588I81.3Confident68.7Low28 Ų2890.1 Ų90.114%0.14445%0.445CS..EExtended strand (participates in β ladder)trans-66.7152.1177.5-62.9173000109.9L544 F590 G684 L686 V687L544-I588 HydrophobicContact CB-CD1 3.8Å; L544-I588 HydrophobicContact CD1-CD1 4.46Å; L544-I588 HydrophobicContact CD2-CD1 3.57Å; L544-I588 HydrophobicContact CG-CD1 4.13Å; I588-F590 VanDerWaalsContact C-N 3.29Å; I588-F590 HydrophobicContact CG2-CD1 3.38Å; I588-F590 HydrophobicContact CG2-CD2 4.2Å; I588-F590 HydrophobicContact CG2-CE1 3.23Å; I588-F590 HydrophobicContact CG2-CE2 4.05Å; I588-F590 HydrophobicContact CG2-CG 3.89Å; I588-F590 HydrophobicContact CG2-CZ 3.58Å; I588-F590 PolarHBondContact O-N 3.07Å; I588-G684 WeakPolarHBondContact CD1-O 3.32Å; I588-L686 WeakPolarHBondContact CG1-O 3.44Å; I588-L686 PolarHBondContact N-O 2.79Å; I588-L686 VanDerWaalsContact N-O 3.13Å; I588-V687 HydrophobicContact CD1-CB 4.35Å
589D83.3Confident71.5Confident156 Ų15686.4 Ų86.483%0.83443%0.428SS*.EExtended strand (participates in β ladder)trans-81.81.8-173.461.6-19.2000114.8
590F91.1Very high74.4Confident25 Ų2578.4 Ų78.411%0.1139%0.385CS..EExtended strand (participates in β ladder)trans-128.1166.2174.763.6-103000111.6L544 L545 N546 I588 W592 V687L544-F590 HydrophobicContact CB-CZ 4.08Å; L545-F590 VanDerWaalsContact C-CZ 3.47Å; L545-F590 WeakPolarHBondContact O-CE2 3.28Å; N546-F590 HydrophobicContact CB-CB 4.33Å; N546-F590 HydrophobicContact CB-CD1 3.79Å; N546-F590 HydrophobicContact CB-CD2 4Å; N546-F590 HydrophobicContact CB-CE1 4.01Å; N546-F590 HydrophobicContact CB-CE2 4.25Å; N546-F590 HydrophobicContact CB-CG 3.78Å; N546-F590 HydrophobicContact CB-CZ 4.25Å; N546-F590 WeakPolarHBondContact ND2-CB 3.34Å; I588-F590 VanDerWaalsContact C-N 3.29Å; I588-F590 HydrophobicContact CG2-CD1 3.38Å; I588-F590 HydrophobicContact CG2-CD2 4.2Å; I588-F590 HydrophobicContact CG2-CE1 3.23Å; I588-F590 HydrophobicContact CG2-CE2 4.05Å; I588-F590 HydrophobicContact CG2-CG 3.89Å; I588-F590 HydrophobicContact CG2-CZ 3.58Å; I588-F590 PolarHBondContact O-N 3.07Å; F590-W592 AromaticContact CE2-CD1 3.94Å; F590-W592 AromaticContact CE2-NE1 3.57Å; F590-V687 HydrophobicContact CD2-CG2 4.22Å; F590-V687 HydrophobicContact CE2-CG2 4.09Å
591Q92.1Very high77Confident53 Ų5370.1 Ų70.125%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-112.5155.7176.1-59.4921.900112.1P553 E688 I690P553-Q591 HydrophobicContact CG-CB 4.09Å; Q591-E688 WeakPolarHBondContact CA-O 3.36Å; Q591-E688 WeakPolarHBondContact CB-O 3.21Å; Q591-E688 HydrophobicContact CG-CB 4.34Å; Q591-I690 HydrophobicContact CB-CG2 4.07Å; Q591-I690 HydrophobicContact CG-CG2 4.06Å
592W94.7Very high79.8Confident1 Ų167.5 Ų67.50%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-101.2164.9164-75.1-14000110.3L544 L545 F590 C598 V600 F626 I656 V687 E688 V689 I690L544-W592 HydrophobicContact CB-CZ2 4.08Å; L544-W592 HydrophobicContact CD2-CH2 3.75Å; L544-W592 HydrophobicContact CD2-CZ2 3.93Å; L544-W592 HydrophobicContact CD2-CZ3 4.42Å; L544-W592 HydrophobicContact CG-CH2 3.96Å; L544-W592 HydrophobicContact CG-CZ2 3.95Å; L545-W592 PolarHBondContact O-NE1 3.15Å; F590-W592 AromaticContact CE2-CD1 3.94Å; F590-W592 AromaticContact CE2-NE1 3.57Å; W592-C598 HydrophobicContact CD2-CB 3.56Å; W592-C598 HydrophobicContact CE3-CB 3.65Å; W592-C598 HydrophobicContact CG-CB 4.15Å; W592-C598 HydrophobicContact CH2-CB 3.95Å; W592-C598 HydrophobicContact CZ2-CB 3.84Å; W592-C598 HydrophobicContact CZ3-CB 3.86Å; W592-V600 HydrophobicContact CH2-CG2 3.83Å; W592-V600 HydrophobicContact CZ2-CG2 4.31Å; W592-F626 HydrophobicContact CZ3-CE2 4.35Å; W592-I656 HydrophobicContact CE3-CG2 4Å; W592-I656 HydrophobicContact CZ3-CG2 4.05Å; W592-V687 HydrophobicContact CB-CG2 4.41Å; W592-V687 HydrophobicContact CD2-CG1 3.67Å; W592-V687 HydrophobicContact CD2-CG2 4.14Å; W592-V687 HydrophobicContact CE3-CG1 3.36Å; W592-V687 HydrophobicContact CG-CG1 4.33Å; W592-V687 HydrophobicContact CG-CG2 4.02Å; W592-V687 HydrophobicContact CH2-CG1 4.11Å; W592-V687 HydrophobicContact CZ2-CG1 4.38Å; W592-V687 HydrophobicContact CZ3-CG1 3.61Å; W592-E688 PolarHBondContact N-O 3.32Å; W592-V689 HydrophobicContact CB-CG2 4.24Å; W592-V689 CarbonylContact O-C 3.14Å; W592-V689 WeakPolarHBondContact O-CA 3.35Å; W592-I690 WeakPolarHBondContact O-CG1 3.45Å; W592-I690 PolarHBondContact O-N 2.75Å
593V94.2Very high82.2Confident0 Ų062 Ų620%030%0.303CS..EExtended strand (participates in β ladder)trans-121.2134-176.1-178.90000109L547 P553 G595 D596 I690 L693L547-V593 HydrophobicContact CD1-CB 4.1Å; L547-V593 HydrophobicContact CD1-CG2 3.63Å; P553-V593 HydrophobicContact CB-CG2 4.1Å; P553-V593 HydrophobicContact CG-CG2 3.88Å; V593-G595 PolarHBondContact O-N 3.3Å; V593-D596 HydrophobicContact CB-CB 4.28Å; V593-D596 WeakPolarHBondContact O-CB 3.4Å; V593-D596 PolarHBondContact O-N 3.25Å; V593-D596 VanDerWaalsContact O-N 3.13Å; V593-I690 HydrophobicContact CB-CG1 4.37Å; V593-I690 HydrophobicContact CG1-CG1 4.5Å; V593-I690 HydrophobicContact CG2-CD1 4.03Å; V593-I690 HydrophobicContact CG2-CG1 3.84Å; V593-L693 HydrophobicContact CG1-CB 4.25Å; V593-L693 HydrophobicContact CG2-CD1 4.44Å
594Q93.7Very high84.7Confident56 Ų5653.9 Ų53.926%0.26227%0.266SS..THydrogen-bonded Turntrans-54.2130.7174.9-178-174-2.600110.8D596 R651 V689 I690Q594-D596 VanDerWaalsContact C-N 3.31Å; Q594-D596 PolarHBondContact O-N 2.89Å; Q594-R651 PolarHBondContact NE2-O 3.02Å; Q594-V689 HydrophobicContact CB-CG1 4.28Å; Q594-I690 WeakPolarHBondContact CB-O 3.46Å; Q594-I690 PolarHBondContact N-O 2.98Å
595G90.7Very high87Confident35 Ų3547.7 Ų47.736%0.36124%0.243SC..THydrogen-bonded Turntrans83.6-6.3-179.400000115.6V593 P650 R695V593-G595 PolarHBondContact O-N 3.3Å; G595-P650 PolarHBondContact N-O 3.04Å; G595-R695 PolarHBondContact O-NH2 2.93Å; G595-R695 VanDerWaalsContact O-NH2 3.08Å
596D92.6Very high89.1Confident4 Ų444.9 Ų44.92%0.02122%0.224CC..SBendtrans-90.3148.3175.1-76.63.6000113L547 V593 Q594 C598 P650 R695 R871L547-D596 HydrophobicContact CD2-CB 4.11Å; V593-D596 HydrophobicContact CB-CB 4.28Å; V593-D596 WeakPolarHBondContact O-CB 3.4Å; V593-D596 PolarHBondContact O-N 3.25Å; V593-D596 VanDerWaalsContact O-N 3.13Å; Q594-D596 VanDerWaalsContact C-N 3.31Å; Q594-D596 PolarHBondContact O-N 2.89Å; D596-C598 PolarHBondContact O-N 3.05Å; D596-C598 PolarHBondContact O-SG 3.15Å; D596-C598 VanDerWaalsContact O-SG 3.39Å; D596-P650 VanDerWaalsContact O-CD 3.22Å; D596-P650 WeakPolarHBondContact O-CD 3.21Å; D596-R695 IonicContact OD1-CZ 2.96Å; D596-R695 VanDerWaalsContact OD1-CZ 3.27Å; D596-R695 IonicContact OD1-NE 3.87Å; D596-R695 PolarHBondContact OD1-NE 2.83Å; D596-R695 VanDerWaalsContact OD1-NE 3.08Å; D596-R695 IonicContact OD1-NH2 3.64Å; D596-R695 PolarHBondContact OD1-NH2 3.01Å; D596-R871 IonicContact OD1-NH2 3.78Å; D596-R871 IonicContact OD2-CZ 2.8Å; D596-R871 IonicContact OD2-NH2 3.11Å; D596-R871 PolarHBondContact OD2-NH2 2.96Å
597V93.5Very high90.8Very high72 Ų7238.1 Ų38.144%0.43620%0.195SC..  trans-72.3119.6173.9-178.60000108.7V647 V649V597-V647 HydrophobicContact CG1-CB 3.92Å; V597-V647 HydrophobicContact CG1-CG1 3.79Å; V597-V649 HydrophobicContact CG2-CG2 4.09Å
598C93.6Very high92.2Very high1 Ų132.9 Ų32.91%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-105.7141.7-180-60.80000109.6W592 D596 V647 G648W592-C598 HydrophobicContact CD2-CB 3.56Å; W592-C598 HydrophobicContact CE3-CB 3.65Å; W592-C598 HydrophobicContact CG-CB 4.15Å; W592-C598 HydrophobicContact CH2-CB 3.95Å; W592-C598 HydrophobicContact CZ2-CB 3.84Å; W592-C598 HydrophobicContact CZ3-CB 3.86Å; D596-C598 PolarHBondContact O-N 3.05Å; D596-C598 PolarHBondContact O-SG 3.15Å; D596-C598 VanDerWaalsContact O-SG 3.39Å; C598-V647 WeakPolarHBondContact O-CA 3.31Å; C598-G648 PolarHBondContact N-O 3.36Å; C598-G648 PolarHBondContact O-N 3.31Å
599E94.9Very high92.7Very high79 Ų7933.5 Ų33.537%0.36918%0.179SC..EExtended strand (participates in β ladder)trans-116.5136.5-173.7-74.3177.8-170.100112.1L545 T645 V647L545-E599 HydrophobicContact CB-CB 4.03Å; L545-E599 HydrophobicContact CD1-CB 3.99Å; L545-E599 HydrophobicContact CG-CB 4.34Å; L545-E599 PolarHBondContact N-O 3.01Å; E599-T645 HydrophobicContact CB-CG2 3.81Å; E599-T645 HydrophobicContact CG-CG2 3.77Å; E599-V647 HydrophobicContact CG-CG1 3.65Å
600V94.1Very high93.3Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-125.4119172.9-1760000108.6V542 L544 W592 L619 L646 V658V542-V600 HydrophobicContact CG1-CG1 3.7Å; L544-V600 HydrophobicContact CD1-CG1 4.31Å; L544-V600 HydrophobicContact CG-CG2 4.18Å; W592-V600 HydrophobicContact CH2-CG2 3.83Å; W592-V600 HydrophobicContact CZ2-CG2 4.31Å; V600-L619 HydrophobicContact CB-CD1 3.95Å; V600-L619 HydrophobicContact CB-CD2 3.83Å; V600-L619 HydrophobicContact CG1-CD2 3.94Å; V600-L619 HydrophobicContact CG2-CD1 3.55Å; V600-L619 HydrophobicContact CG2-CD2 4.04Å; V600-L619 HydrophobicContact CG2-CG 4.47Å; V600-L646 PolarHBondContact N-O 3.24Å; V600-L646 PolarHBondContact O-N 3.25Å; V600-V658 HydrophobicContact CG2-CG2 4.28Å
601Q94Very high93.4Very high58 Ų5832.8 Ų32.827%0.27117%0.169SC..EExtended strand (participates in β ladder)trans-92.8127.8177.8-173.1175.670.300110.7V542 K543 L545 V644V542-Q601 WeakPolarHBondContact CA-O 3.4Å; K543-Q601 PolarHBondContact N-O 2.96Å; K543-Q601 PolarHBondContact O-N 3.23Å; L545-Q601 HydrophobicContact CD1-CB 4.19Å; L545-Q601 HydrophobicContact CD2-CB 4.27Å; L545-Q601 HydrophobicContact CG-CB 4.24Å; Q601-V644 CarbonylContact C-O 3.54Å; Q601-V644 WeakPolarHBondContact CA-O 3.43Å
602L92.9Very high93.5Very high3 Ų330.3 Ų30.32%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-110.6133.6174.5-58.6173.4000109.2V539 S541 V542 V604 M617 V644 L646V539-L602 HydrophobicContact CG1-CD2 4.23Å; S541-L602 WeakPolarHBondContact O-CA 3.34Å; V542-L602 HydrophobicContact CB-CD2 4.04Å; V542-L602 HydrophobicContact CG1-CD2 3.82Å; V542-L602 HydrophobicContact CG2-CD2 3.46Å; V542-L602 VanDerWaalsContact CG2-CD2 3.46Å; L602-V604 HydrophobicContact CB-CG1 3.84Å; L602-M617 HydrophobicContact CD1-CE 3.47Å; L602-M617 VanDerWaalsContact CD1-CE 3.47Å; L602-V644 HydrophobicContact CB-CB 4.49Å; L602-V644 PolarHBondContact N-O 2.81Å; L602-V644 PolarHBondContact O-N 2.74Å; L602-L646 HydrophobicContact CD1-CD1 3.46Å; L602-L646 VanDerWaalsContact CD1-CD1 3.46Å; L602-L646 HydrophobicContact CD1-CG 3.92Å; L602-L646 HydrophobicContact CG-CD1 4.49Å
603M93Very high93.5Very high42 Ų4238.6 Ų38.621%0.20719%0.188CC..EExtended strand (participates in β ladder)trans-94.1106.3165.5-60.2-57.7-59.900108.5R540 S541 L641 P643R540-M603 PolarHBondContact N-O 3.32Å; S541-M603 PolarHBondContact O-N 3.2Å; S541-M603 VanDerWaalsContact OG-CB 3.31Å; S541-M603 WeakPolarHBondContact OG-CB 3Å; S541-M603 WeakPolarHBondContact OG-CG 3.47Å; M603-L641 HydrophobicContact CE-CB 3.75Å; M603-P643 HydrophobicContact CE-CB 4.28Å; M603-P643 HydrophobicContact SD-CB 3.87Å
604V93.3Very high93.5Very high0 Ų038.6 Ų38.60%019%0.189CC..EExtended strand (participates in β ladder)trans-108154.1-175.7-46.70000111P537 M538 V539 L602 M617 L635 Y642 V644P537-V604 HydrophobicContact CB-CB 4.36Å; M538-V604 CarbonylContact O-C 3.49Å; M538-V604 VanDerWaalsContact O-CA 3.32Å; M538-V604 WeakPolarHBondContact O-CA 3.38Å; V539-V604 HydrophobicContact CG2-CG1 4.08Å; L602-V604 HydrophobicContact CB-CG1 3.84Å; V604-M617 HydrophobicContact CG1-CE 4.35Å; V604-L635 HydrophobicContact CG2-CD1 3.85Å; V604-L635 HydrophobicContact CG2-CD2 3.79Å; V604-Y642 PolarHBondContact N-O 2.68Å; V604-Y642 PolarHBondContact O-N 3.49Å; V604-V644 HydrophobicContact CB-CG2 4.49Å; V604-V644 HydrophobicContact CG1-CB 4.39Å; V604-V644 HydrophobicContact CG1-CG2 4.07Å; V604-V644 HydrophobicContact CG2-CG2 3.55Å
605Y92.8Very high93.5Very high63 Ų6341.1 Ų41.125%0.24720%0.2CC..EExtended strand (participates in β ladder)trans-136.8132.6176.6164.8-114.1000109.8M538 P607 G640M538-Y605 HydrophobicContact CB-CD1 4.29Å; M538-Y605 HydrophobicContact CG-CD1 4.33Å; M538-Y605 PolarHBondContact N-O 3.08Å; M538-Y605 PolarHBondContact O-N 2.74Å; M538-Y605 HydrophobicContact SD-CD1 3.97Å; M538-Y605 HydrophobicContact SD-CE1 4.32Å; Y605-P607 HydrophobicContact CD1-CB 4.38Å; Y605-P607 HydrophobicContact CE1-CB 3.75Å; Y605-P607 WeakPolarHBondContact O-CD 3.35Å; Y605-G640 WeakPolarHBondContact CA-O 3.5Å; Y605-G640 VanDerWaalsContact CD2-O 3.32Å; Y605-G640 WeakPolarHBondContact CD2-O 3.3Å
606N94.3Very high93.5Very high0 Ų044 Ų440%021%0.207CC..  trans-92.7111171.7175.919.8000110.1M608 Y610 L612 L635 P636 E638 S639N606-M608 VanDerWaalsContact C-N 3.27Å; N606-M608 PolarHBondContact O-N 3.2Å; N606-M608 WeakPolarHBondContact OD1-CB 3.41Å; N606-M608 WeakPolarHBondContact OD1-CG 3.23Å; N606-M608 PolarHBondContact OD1-N 2.9Å; N606-Y610 PolarHBondContact ND2-O 2.89Å; N606-L612 HydrophobicContact CB-CB 4.34Å; N606-L612 HydrophobicContact CB-CD2 4.44Å; N606-L612 VanDerWaalsContact CG-CB 3.46Å; N606-L612 VanDerWaalsContact ND2-CB 3.34Å; N606-L612 WeakPolarHBondContact ND2-CB 3.3Å; N606-L635 HydrophobicContact CB-CB 3.89Å; N606-L635 HydrophobicContact CB-CD1 4.39Å; N606-L635 PolarHBondContact ND2-O 3.47Å; N606-P636 WeakPolarHBondContact CB-O 3.31Å; N606-P636 PolarHBondContact ND2-O 3.46Å; N606-E638 WeakPolarHBondContact O-CA 3.47Å; N606-E638 PolarHBondContact O-N 3.48Å; N606-S639 WeakPolarHBondContact CB-OG 3.16Å; N606-S639 PolarHBondContact N-OG 2.94Å
607P92.6Very high93.6Very high14 Ų1443.8 Ų43.89%0.09121%0.206CC..  trans-81.92176.635.4-38.2000114.3L491 K535 L536 M538 Y605L491-P607 HydrophobicContact CD2-CB 4.14Å; L491-P607 HydrophobicContact CD2-CG 3.63Å; K535-P607 WeakPolarHBondContact O-CG 3.45Å; L536-P607 HydrophobicContact CD2-CG 3.62Å; M538-P607 HydrophobicContact CG-CG 4.35Å; Y605-P607 HydrophobicContact CD1-CB 4.38Å; Y605-P607 HydrophobicContact CE1-CB 3.75Å; Y605-P607 WeakPolarHBondContact O-CD 3.35Å
608M94.2Very high93.7Very high0 Ų040.6 Ų40.60%019%0.188CC..SBendtrans-84.8147.7-177.1-56.7-59.6-72.200111.3L491 K499 T503 L536 N606 Y610 L612 E638L491-M608 HydrophobicContact CD1-SD 4.04Å; K499-M608 HydrophobicContact CB-CE 3.9Å; K499-M608 HydrophobicContact CD-CE 4.49Å; K499-M608 HydrophobicContact CD-SD 4.42Å; T503-M608 HydrophobicContact CG2-CE 3.67Å; L536-M608 HydrophobicContact CD1-SD 4.48Å; L536-M608 HydrophobicContact CD2-CG 3.61Å; L536-M608 HydrophobicContact CD2-SD 3.58Å; L536-M608 VanDerWaalsContact CD2-SD 3.58Å; N606-M608 VanDerWaalsContact C-N 3.27Å; N606-M608 PolarHBondContact O-N 3.2Å; N606-M608 WeakPolarHBondContact OD1-CB 3.41Å; N606-M608 WeakPolarHBondContact OD1-CG 3.23Å; N606-M608 PolarHBondContact OD1-N 2.9Å; M608-Y610 HydrophobicContact CB-CD2 4.4Å; M608-Y610 HydrophobicContact CB-CE2 4.24Å; M608-Y610 HydrophobicContact CE-CE1 4.11Å; M608-Y610 HydrophobicContact CE-CE2 4.12Å; M608-Y610 VanDerWaalsContact CE-CZ 3.49Å; M608-Y610 WeakPolarHBondContact CE-OH 3.24Å; M608-Y610 PolarHBondContact O-N 3.43Å; M608-L612 HydrophobicContact CG-CD1 4.48Å; M608-E638 PolarHBondContact O-N 3.24Å; M608-E638 VanDerWaalsContact O-N 3.11Å
609P92.3Very high93.7Very high42 Ų4241 Ų4127%0.27319%0.19SC..SBendtrans-76.613.1179.632.5-35.5000113.3D496D496-P609 HydrophobicContact CB-CB 4.1Å; D496-P609 HydrophobicContact CB-CG 3.77Å
610Y94.1Very high93.6Very high55 Ų5539.3 Ų39.322%0.21618%0.183CC..SBendtrans-149.4169.4179.847-99.1000110.3K500 T503 N606 M608 L612 F666K500-Y610 HydrophobicContact CB-CE1 4.13Å; K500-Y610 HydrophobicContact CG-CE1 4.36Å; T503-Y610 WeakPolarHBondContact CB-OH 3.38Å; T503-Y610 WeakPolarHBondContact CG2-OH 3.48Å; T503-Y610 PolarHBondContact OG1-OH 3.45Å; N606-Y610 PolarHBondContact ND2-O 2.89Å; M608-Y610 HydrophobicContact CB-CD2 4.4Å; M608-Y610 HydrophobicContact CB-CE2 4.24Å; M608-Y610 HydrophobicContact CE-CE1 4.11Å; M608-Y610 HydrophobicContact CE-CE2 4.12Å; M608-Y610 VanDerWaalsContact CE-CZ 3.49Å; M608-Y610 WeakPolarHBondContact CE-OH 3.24Å; M608-Y610 PolarHBondContact O-N 3.43Å; Y610-L612 PolarHBondContact O-N 3.25Å; Y610-F666 HydrophobicContact CE2-CZ 4.28Å
611E94.2Very high93.6Very high111 Ų11141.2 Ų41.252%0.51920%0.195SC..PPolyproline II helixtrans-59.2126.8178.6-172.4179.2-163.500111.6S634 L635E611-S634 WeakPolarHBondContact CG-OG 3.47Å; E611-S634 WeakPolarHBondContact OE1-CB 3.41Å; E611-S634 PolarHBondContact OE1-OG 3.29Å; E611-L635 CarbonylContact C-O 3.57Å; E611-L635 WeakPolarHBondContact CA-O 3.48Å
612L94.5Very high93.5Very high0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-103.3116.2-179.9-177.669.6000109.9P537 N606 M608 Y610 V614 L635 V665 F666P537-L612 HydrophobicContact CB-CD2 4.28Å; N606-L612 HydrophobicContact CB-CB 4.34Å; N606-L612 HydrophobicContact CB-CD2 4.44Å; N606-L612 VanDerWaalsContact CG-CB 3.46Å; N606-L612 VanDerWaalsContact ND2-CB 3.34Å; N606-L612 WeakPolarHBondContact ND2-CB 3.3Å; M608-L612 HydrophobicContact CG-CD1 4.48Å; Y610-L612 PolarHBondContact O-N 3.25Å; L612-V614 HydrophobicContact CD2-CG2 4.16Å; L612-V614 HydrophobicContact CG-CG2 4.12Å; L612-L635 HydrophobicContact CB-CB 4.39Å; L612-L635 PolarHBondContact N-O 3.27Å; L612-L635 PolarHBondContact O-N 3.29Å; L612-V665 HydrophobicContact CD1-CG1 3.68Å; L612-V665 HydrophobicContact CG-CG1 4.39Å; L612-F666 HydrophobicContact CD1-CE1 3.99Å; L612-F666 HydrophobicContact CD1-CE2 3.74Å; L612-F666 HydrophobicContact CD1-CZ 3.31Å
613R94.2Very high93.4Very high175 Ų17544 Ų4466%0.6623%0.232SC*.EExtended strand (participates in β ladder)trans-85123.3171.7-65-176.1-176.9173.71.7109.8
614V94.5Very high93.3Very high1 Ų142.7 Ų42.71%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-115.9119.6177.3-174.30000107.6P537 L612 M617 A632 L633 L635 T663 V665P537-V614 HydrophobicContact CG-CG2 4.18Å; L612-V614 HydrophobicContact CD2-CG2 4.16Å; L612-V614 HydrophobicContact CG-CG2 4.12Å; V614-M617 HydrophobicContact CG1-CB 4.15Å; V614-M617 HydrophobicContact CG1-CG 4.49Å; V614-M617 HydrophobicContact CG1-SD 4.33Å; V614-A632 CarbonylContact O-C 3.6Å; V614-A632 WeakPolarHBondContact O-CA 3.47Å; V614-L633 HydrophobicContact CB-CB 4.24Å; V614-L633 PolarHBondContact N-O 3Å; V614-L633 PolarHBondContact O-N 2.9Å; V614-L635 HydrophobicContact CG2-CD1 4.06Å; V614-T663 WeakPolarHBondContact CG1-OG1 3.28Å; V614-V665 HydrophobicContact CB-CG2 4.35Å; V614-V665 HydrophobicContact CG1-CG2 3.97Å; V614-V665 HydrophobicContact CG2-CG2 4.12Å
615E93.6Very high93.3Very high108 Ų10849 Ų4951%0.50526%0.256SS..EExtended strand (participates in β ladder)trans-107152.3-179-64.5177.5179.300110.2M617 S664E615-M617 VanDerWaalsContact C-N 3.26Å; E615-M617 PolarHBondContact O-N 2.9Å; E615-M617 VanDerWaalsContact O-N 3.16Å; E615-S664 PolarHBondContact N-O 3.35Å; E615-S664 WeakPolarHBondContact O-CA 3.24Å; E615-S664 WeakPolarHBondContact O-CB 3.28Å; E615-S664 PolarHBondContact O-N 3.4Å
616N91.6Very high93.3Very high95 Ų9547.6 Ų47.651%0.50825%0.251SS..EExtended strand (participates in β ladder)trans50.540.2174.4-60.9-26.4000114.3G618 H662N616-G618 PolarHBondContact O-N 2.97Å; N616-H662 PolarHBondContact O-CD2 2.9Å
617M94.4Very high93.3Very high0 Ų051.7 Ų51.70%027%0.27CS..EExtended strand (participates in β ladder)trans-74.8114.7177.2-162.8177.2-174.100110L602 V604 V614 E615 P630 A631 L633 L646 Y661 H662L602-M617 HydrophobicContact CD1-CE 3.47Å; L602-M617 VanDerWaalsContact CD1-CE 3.47Å; V604-M617 HydrophobicContact CG1-CE 4.35Å; V614-M617 HydrophobicContact CG1-CB 4.15Å; V614-M617 HydrophobicContact CG1-CG 4.49Å; V614-M617 HydrophobicContact CG1-SD 4.33Å; E615-M617 VanDerWaalsContact C-N 3.26Å; E615-M617 PolarHBondContact O-N 2.9Å; E615-M617 VanDerWaalsContact O-N 3.16Å; M617-P630 CarbonylContact O-C 3.59Å; M617-P630 WeakPolarHBondContact O-CA 3.48Å; M617-A631 WeakPolarHBondContact CB-O 3.2Å; M617-A631 PolarHBondContact N-O 2.96Å; M617-A631 PolarHBondContact O-N 3.24Å; M617-L633 HydrophobicContact CB-CD1 4.28Å; M617-L633 HydrophobicContact CG-CD1 4.48Å; M617-L633 HydrophobicContact SD-CD1 3.39Å; M617-L633 WeakPolarHBondContact SD-CD1 3.45Å; M617-L646 HydrophobicContact CB-CD2 4.37Å; M617-L646 HydrophobicContact CG-CD1 4.16Å; M617-L646 HydrophobicContact CG-CD2 4.22Å; M617-Y661 HydrophobicContact CE-CD2 3.6Å; M617-Y661 HydrophobicContact CE-CE2 3.98Å; M617-Y661 HydrophobicContact CE-CG 4.07Å; M617-H662 CarbonylContact C-O 3.58Å; M617-H662 VanDerWaalsContact CA-O 3.26Å; M617-H662 WeakPolarHBondContact CA-O 3.22Å
618G93.9Very high93.3Very high5 Ų552.5 Ų52.55%0.05228%0.276CS..EExtended strand (participates in β ladder)trans-137.8167.5-175.100000112.7N616 Y661 H662N616-G618 PolarHBondContact O-N 2.97Å; G618-Y661 CarbonylContact O-C 3.59Å; G618-Y661 WeakPolarHBondContact O-CA 3.26Å; G618-Y661 VanDerWaalsContact O-CB 3.3Å; G618-Y661 WeakPolarHBondContact O-CB 3.32Å; G618-H662 PolarHBondContact N-O 3.22Å; G618-H662 PolarHBondContact O-N 3.36Å
619L94.4Very high93.2Very high11 Ų1155.8 Ų55.86%0.05829%0.293CS..EExtended strand (participates in β ladder)trans-86.1137179.3-66.6167.5000111.1V600 T621 F626 S628 L646 V658V600-L619 HydrophobicContact CB-CD1 3.95Å; V600-L619 HydrophobicContact CB-CD2 3.83Å; V600-L619 HydrophobicContact CG1-CD2 3.94Å; V600-L619 HydrophobicContact CG2-CD1 3.55Å; V600-L619 HydrophobicContact CG2-CD2 4.04Å; V600-L619 HydrophobicContact CG2-CG 4.47Å; L619-T621 HydrophobicContact CB-CG2 4.22Å; L619-F626 HydrophobicContact CB-CE1 4.17Å; L619-F626 HydrophobicContact CD1-CE1 3.97Å; L619-F626 HydrophobicContact CD1-CZ 4Å; L619-S628 PolarHBondContact N-OG 3.42Å; L619-L646 HydrophobicContact CD1-CB 4.15Å; L619-L646 HydrophobicContact CD2-CB 4.07Å; L619-L646 HydrophobicContact CD2-CD1 3.87Å; L619-L646 HydrophobicContact CG-CB 3.87Å; L619-L646 HydrophobicContact CG-CD1 4.08Å; L619-V658 HydrophobicContact CD2-CG1 4.13Å
620L93Very high93.1Very high43 Ų4357.9 Ų57.923%0.22531%0.307CS..EExtended strand (participates in β ladder)trans-100.1116168.1-64.6172000108.4N659 G660 Y661 H662 D671L620-N659 PolarHBondContact O-N 3.24Å; L620-G660 PolarHBondContact N-O 3.17Å; L620-G660 PolarHBondContact O-N 2.88Å; L620-Y661 WeakPolarHBondContact CD1-O 3.47Å; L620-H662 HydrophobicContact CD2-CB 4.14Å; L620-H662 HydrophobicContact CG-CB 4.32Å; L620-D671 HydrophobicContact CD1-CB 3.73Å
621T93.3Very high93Very high40 Ų4056.5 Ų56.525%0.24531%0.307CS..EExtended strand (participates in β ladder)trans-123.7163.2-175.660.80000111.7L619 F626 I656 T657 V658L619-T621 HydrophobicContact CB-CG2 4.22Å; T621-F626 HydrophobicContact CG2-CD1 3.72Å; T621-F626 HydrophobicContact CG2-CE1 4.01Å; T621-F626 HydrophobicContact CG2-CG 4.19Å; T621-F626 WeakPolarHBondContact OG1-CB 3.28Å; T621-I656 HydrophobicContact CG2-CD1 3.94Å; T621-I656 HydrophobicContact CG2-CG1 4.37Å; T621-T657 CarbonylContact C-O 3.54Å; T621-T657 VanDerWaalsContact CA-O 3.24Å; T621-T657 WeakPolarHBondContact CA-O 3.36Å; T621-V658 HydrophobicContact CG2-CG2 4.33Å
622S92.1Very high93Very high49 Ų4955.2 Ų55.234%0.34332%0.315SS..EExtended strand (participates in β ladder)trans-140.815517058.90000110.7I656 T657 N659S622-I656 WeakPolarHBondContact O-CA 3.35Å; S622-T657 PolarHBondContact N-O 2.9Å; S622-T657 PolarHBondContact O-N 2.7Å; S622-N659 WeakPolarHBondContact CB-ND2 2.95Å; S622-N659 PolarHBondContact OG-ND2 3.45Å; S622-N659 PolarHBondContact OG-OD1 3.11Å
623G90.6Very high92.9Very high69 Ų6957 Ų5771%0.71133%0.325SS*.EExtended strand (participates in β ladder)trans108.9-115-17500000110.7N655G623-N655 WeakPolarHBondContact CA-O 3.5Å
624V91.4Very high92.8Very high15 Ų1551.2 Ų51.29%0.09131%0.311CS..SBendtrans-63.7155.8177.6-50.70000112.4F626 P650 N655 I656 V689V624-F626 PolarHBondContact O-N 3.41Å; V624-P650 HydrophobicContact CG2-CB 4.22Å; V624-N655 PolarHBondContact N-O 2.59Å; V624-I656 HydrophobicContact CG2-CB 3.66Å; V624-I656 HydrophobicContact CG2-CD1 3.76Å; V624-I656 HydrophobicContact CG2-CG1 3.89Å; V624-V689 HydrophobicContact CG2-CG2 4.16Å
625E92.6Very high92.8Very high133 Ų13351.2 Ų51.262%0.62131%0.311SS*.  trans-63.5121.8169.9-69.3-174.9170.700109.5R651 T652E625-R651 HydrophobicContact CB-CB 4.02Å; E625-R651 PolarHBondContact O-N 2.84Å; E625-T652 PolarHBondContact N-OG1 3.21Å; E625-T652 VanDerWaalsContact N-OG1 3.12Å
626F93.1Very high92.9Very high34 Ų3449.1 Ų49.115%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-133.5125.3-174-176.4-96000110.5W592 L619 T621 V624 P650 I656W592-F626 HydrophobicContact CZ3-CE2 4.35Å; L619-F626 HydrophobicContact CB-CE1 4.17Å; L619-F626 HydrophobicContact CD1-CE1 3.97Å; L619-F626 HydrophobicContact CD1-CZ 4Å; T621-F626 HydrophobicContact CG2-CD1 3.72Å; T621-F626 HydrophobicContact CG2-CE1 4.01Å; T621-F626 HydrophobicContact CG2-CG 4.19Å; T621-F626 WeakPolarHBondContact OG1-CB 3.28Å; V624-F626 PolarHBondContact O-N 3.41Å; F626-P650 HydrophobicContact CD2-CB 4.17Å; F626-I656 HydrophobicContact CB-CD1 3.64Å; F626-I656 HydrophobicContact CD1-CD1 4.42Å; F626-I656 HydrophobicContact CD2-CD1 3.35Å; F626-I656 HydrophobicContact CE2-CD1 4.06Å; F626-I656 HydrophobicContact CG-CD1 3.55Å
627E95.1Very high92.9Very high85 Ų8546.9 Ų46.940%0.39730%0.302SS..EExtended strand (participates in β ladder)trans-95.4101.3176-174.6176.7149.200109.5G648 V649 R651E627-G648 CarbonylContact O-C 3.59Å; E627-G648 WeakPolarHBondContact O-CA 3.31Å; E627-V649 PolarHBondContact N-O 3.11Å; E627-V649 PolarHBondContact O-N 3.09Å; E627-R651 IonicContact OE1-NH2 2.7Å; E627-R651 IonicContact OE2-CZ 3.2Å; E627-R651 IonicContact OE2-NE 3.32Å; E627-R651 PolarHBondContact OE2-NE 3.47Å; E627-R651 IonicContact OE2-NH2 2.88Å; E627-R651 PolarHBondContact OE2-NH2 3.07Å
628S93.3Very high92.6Very high31 Ų3152.4 Ų52.422%0.21733%0.327CS..EExtended strand (participates in β ladder)trans-75.8135172.3-175.70000110.1L619 P630L619-S628 PolarHBondContact N-OG 3.42Å; S628-P630 WeakPolarHBondContact O-CD 3.45Å
629L92Very high92.2Very high70 Ų7053.7 Ų53.737%0.36634%0.336SS..EExtended strand (participates in β ladder)trans-98.6108.3173.9-61.6171.8000108.7V647L629-V647 HydrophobicContact CB-CG2 4.02Å; L629-V647 HydrophobicContact CD1-CG2 4.09Å; L629-V647 PolarHBondContact N-O 3.48Å
630P90.4Very high91.8Very high85 Ų8554.7 Ų54.755%0.55235%0.349SS*.  trans-66.9140.2-175.9-18.932.2000112.2M617 S628M617-P630 CarbonylContact O-C 3.59Å; M617-P630 WeakPolarHBondContact O-CA 3.48Å; S628-P630 WeakPolarHBondContact O-CD 3.45Å
631A90.9Very high91.6Very high27 Ų2757.9 Ų57.922%0.22337%0.365CS..EExtended strand (participates in β ladder)trans-108.9145.5175.400000111.3M617 L633 L646M617-A631 WeakPolarHBondContact CB-O 3.2Å; M617-A631 PolarHBondContact N-O 2.96Å; M617-A631 PolarHBondContact O-N 3.24Å; A631-L633 HydrophobicContact CB-CD2 4.35Å; A631-L646 HydrophobicContact CB-CD2 3.97Å
632A93.4Very high91.5Very high84 Ų8460.9 Ų60.969%0.69437%0.373SS*.EExtended strand (participates in β ladder)trans-104134.4166.600000109.1V614V614-A632 CarbonylContact O-C 3.6Å; V614-A632 WeakPolarHBondContact O-CA 3.47Å
633L92.6Very high91.6Very high37 Ų3761.9 Ų61.919%0.19438%0.378CS..EExtended strand (participates in β ladder)trans-130.9145.3-171.8-50.5164.8000110V614 M617 A631 V644V614-L633 HydrophobicContact CB-CB 4.24Å; V614-L633 PolarHBondContact N-O 3Å; V614-L633 PolarHBondContact O-N 2.9Å; M617-L633 HydrophobicContact CB-CD1 4.28Å; M617-L633 HydrophobicContact CG-CD1 4.48Å; M617-L633 HydrophobicContact SD-CD1 3.39Å; M617-L633 WeakPolarHBondContact SD-CD1 3.45Å; A631-L633 HydrophobicContact CB-CD2 4.35Å; L633-V644 HydrophobicContact CD1-CB 4.4Å; L633-V644 HydrophobicContact CD1-CG1 3.56Å; L633-V644 HydrophobicContact CD1-CG2 3.94Å; L633-V644 HydrophobicContact CD2-CG1 3.85Å; L633-V644 HydrophobicContact CD2-CG2 4.45Å; L633-V644 HydrophobicContact CG-CG1 4.36Å
634S93.8Very high91.7Very high54 Ų5458.8 Ų58.838%0.37835%0.346SS..EExtended strand (participates in β ladder)trans-120.4104.6169.9-143.10000108.7E611E611-S634 WeakPolarHBondContact CG-OG 3.47Å; E611-S634 WeakPolarHBondContact OE1-CB 3.41Å; E611-S634 PolarHBondContact OE1-OG 3.29Å
635L94.5Very high91.9Very high0 Ų061 Ų610%036%0.359CS..EExtended strand (participates in β ladder)trans-93.9123.6-175.3-61.2175.3000109.6P537 V604 N606 E611 L612 V614 Y642P537-L635 HydrophobicContact CB-CD1 3.66Å; P537-L635 HydrophobicContact CG-CD1 4.16Å; V604-L635 HydrophobicContact CG2-CD1 3.85Å; V604-L635 HydrophobicContact CG2-CD2 3.79Å; N606-L635 HydrophobicContact CB-CB 3.89Å; N606-L635 HydrophobicContact CB-CD1 4.39Å; N606-L635 PolarHBondContact ND2-O 3.47Å; E611-L635 CarbonylContact C-O 3.57Å; E611-L635 WeakPolarHBondContact CA-O 3.48Å; L612-L635 HydrophobicContact CB-CB 4.39Å; L612-L635 PolarHBondContact N-O 3.27Å; L612-L635 PolarHBondContact O-N 3.29Å; V614-L635 HydrophobicContact CG2-CD1 4.06Å; L635-Y642 HydrophobicContact CD2-CD1 3.74Å; L635-Y642 HydrophobicContact CD2-CE1 4.29Å; L635-Y642 HydrophobicContact CD2-CG 4.07Å
636P93.8Very high92Very high65 Ų6554.7 Ų54.742%0.42233%0.33SS..PPolyproline II helixtrans-56156.6176.3-2533.4000112.9N606 E638 S639N606-P636 WeakPolarHBondContact CB-O 3.31Å; N606-P636 PolarHBondContact ND2-O 3.46Å; P636-E638 PolarHBondContact O-N 3.23Å; P636-S639 VanDerWaalsContact O-CB 3.25Å; P636-S639 WeakPolarHBondContact O-CB 3.46Å; P636-S639 PolarHBondContact O-N 3.4Å; P636-S639 PolarHBondContact O-OG 3.25Å
637A92.1Very high92.1Very high48 Ų4855 Ų5540%0.39733%0.334SS..THydrogen-bonded Turntrans-54.4130.7172.400000110.1S639A637-S639 PolarHBondContact O-N 3.46Å
638E88.9Confident92Very high115 Ų11551 Ų5154%0.53732%0.316SS..THydrogen-bonded Turntrans46.638178.7-56.4-170.3144.500113.8N606 M608 P636 G640N606-E638 WeakPolarHBondContact O-CA 3.47Å; N606-E638 PolarHBondContact O-N 3.48Å; M608-E638 PolarHBondContact O-N 3.24Å; M608-E638 VanDerWaalsContact O-N 3.11Å; P636-E638 PolarHBondContact O-N 3.23Å; E638-G640 PolarHBondContact O-N 2.99Å
639S84.4Confident92.1Very high33 Ų3350.2 Ų50.223%0.23131%0.309CS..  trans-54.2-5.1-165.641.40000117.9N606 P636 A637N606-S639 WeakPolarHBondContact CB-OG 3.16Å; N606-S639 PolarHBondContact N-OG 2.94Å; P636-S639 VanDerWaalsContact O-CB 3.25Å; P636-S639 WeakPolarHBondContact O-CB 3.46Å; P636-S639 PolarHBondContact O-N 3.4Å; P636-S639 PolarHBondContact O-OG 3.25Å; A637-S639 PolarHBondContact O-N 3.46Å
640G87.3Confident92.3Very high32 Ų3246.9 Ų46.933%0.3329%0.292SS..  trans63-159.1-16600000111.3Y605 E638 Y642Y605-G640 WeakPolarHBondContact CA-O 3.5Å; Y605-G640 VanDerWaalsContact CD2-O 3.32Å; Y605-G640 WeakPolarHBondContact CD2-O 3.3Å; E638-G640 PolarHBondContact O-N 2.99Å; G640-Y642 PolarHBondContact O-N 3.29Å
641L89.2Confident92.4Very high110 Ų11048.4 Ų48.458%0.57629%0.287SS*.SBendtrans-78108.5177.3-65.9176.4000110.1R540 M603R540-L641 HydrophobicContact CB-CD2 3.93Å; R540-L641 HydrophobicContact CG-CD2 3.77Å; M603-L641 HydrophobicContact CE-CB 3.75Å
642Y90.7Very high92.5Very high103 Ų10349.7 Ų49.740%0.40429%0.292SS..EExtended strand (participates in β ladder)trans-102.3124.6179.2-165.1-89000110.6V604 L635 G640 V644V604-Y642 PolarHBondContact N-O 2.68Å; V604-Y642 PolarHBondContact O-N 3.49Å; L635-Y642 HydrophobicContact CD2-CD1 3.74Å; L635-Y642 HydrophobicContact CD2-CE1 4.29Å; L635-Y642 HydrophobicContact CD2-CG 4.07Å; G640-Y642 PolarHBondContact O-N 3.29Å; Y642-V644 HydrophobicContact CD1-CG2 3.87Å; Y642-V644 HydrophobicContact CE1-CG2 4.36Å
643P93.5Very high92.5Very high69 Ų6947.9 Ų47.945%0.44828%0.277SS..EExtended strand (participates in β ladder)trans-78.2126.3177.630.6-32.1000111M603M603-P643 HydrophobicContact CE-CB 4.28Å; M603-P643 HydrophobicContact SD-CB 3.87Å
644V93.1Very high92.5Very high5 Ų547.6 Ų47.63%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-121.8125175.21770000108.7Q601 L602 V604 L633 Y642 L646Q601-V644 CarbonylContact C-O 3.54Å; Q601-V644 WeakPolarHBondContact CA-O 3.43Å; L602-V644 HydrophobicContact CB-CB 4.49Å; L602-V644 PolarHBondContact N-O 2.81Å; L602-V644 PolarHBondContact O-N 2.74Å; V604-V644 HydrophobicContact CB-CG2 4.49Å; V604-V644 HydrophobicContact CG1-CB 4.39Å; V604-V644 HydrophobicContact CG1-CG2 4.07Å; V604-V644 HydrophobicContact CG2-CG2 3.55Å; L633-V644 HydrophobicContact CD1-CB 4.4Å; L633-V644 HydrophobicContact CD1-CG1 3.56Å; L633-V644 HydrophobicContact CD1-CG2 3.94Å; L633-V644 HydrophobicContact CD2-CG1 3.85Å; L633-V644 HydrophobicContact CD2-CG2 4.45Å; L633-V644 HydrophobicContact CG-CG1 4.36Å; Y642-V644 HydrophobicContact CD1-CG2 3.87Å; Y642-V644 HydrophobicContact CE1-CG2 4.36Å; V644-L646 HydrophobicContact CG1-CD2 3.98Å; V644-L646 HydrophobicContact CG1-CG 4.44Å
645T94.8Very high92.4Very high61 Ų6149.1 Ų49.137%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-99.7116.2174.1-56.50000109.4E599E599-T645 HydrophobicContact CB-CG2 3.81Å; E599-T645 HydrophobicContact CG-CG2 3.77Å
646L95.1Very high92.4Very high1 Ų149.1 Ų49.11%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-95.2141.3169.3-59-174.8000109.3V600 L602 M617 L619 A631 V644V600-L646 PolarHBondContact N-O 3.24Å; V600-L646 PolarHBondContact O-N 3.25Å; L602-L646 HydrophobicContact CD1-CD1 3.46Å; L602-L646 VanDerWaalsContact CD1-CD1 3.46Å; L602-L646 HydrophobicContact CD1-CG 3.92Å; L602-L646 HydrophobicContact CG-CD1 4.49Å; M617-L646 HydrophobicContact CB-CD2 4.37Å; M617-L646 HydrophobicContact CG-CD1 4.16Å; M617-L646 HydrophobicContact CG-CD2 4.22Å; L619-L646 HydrophobicContact CD1-CB 4.15Å; L619-L646 HydrophobicContact CD2-CB 4.07Å; L619-L646 HydrophobicContact CD2-CD1 3.87Å; L619-L646 HydrophobicContact CG-CB 3.87Å; L619-L646 HydrophobicContact CG-CD1 4.08Å; A631-L646 HydrophobicContact CB-CD2 3.97Å; V644-L646 HydrophobicContact CG1-CD2 3.98Å; V644-L646 HydrophobicContact CG1-CG 4.44Å
647V94.9Very high92.3Very high41 Ų4147.7 Ų47.725%0.24828%0.277CS..EExtended strand (participates in β ladder)trans-119.6151.3-176.1-79.50000111.3V597 C598 E599 L629V597-V647 HydrophobicContact CG1-CB 3.92Å; V597-V647 HydrophobicContact CG1-CG1 3.79Å; C598-V647 WeakPolarHBondContact O-CA 3.31Å; E599-V647 HydrophobicContact CG-CG1 3.65Å; L629-V647 HydrophobicContact CB-CG2 4.02Å; L629-V647 HydrophobicContact CD1-CG2 4.09Å; L629-V647 PolarHBondContact N-O 3.48Å
648G94.3Very high92.3Very high0 Ų045.6 Ų45.60%026%0.259CS..EExtended strand (participates in β ladder)trans-165.3171168.200000112.5C598 E627C598-G648 PolarHBondContact N-O 3.36Å; C598-G648 PolarHBondContact O-N 3.31Å; E627-G648 CarbonylContact O-C 3.59Å; E627-G648 WeakPolarHBondContact O-CA 3.31Å
649V95.2Very high92.3Very high14 Ų1442.8 Ų42.89%0.08525%0.248CC..EExtended strand (participates in β ladder)trans-122.9119.6-173.8-176.20000110V597 E627V597-V649 HydrophobicContact CG2-CG2 4.09Å; E627-V649 PolarHBondContact N-O 3.11Å; E627-V649 PolarHBondContact O-N 3.09Å
650P94.8Very high92.7Very high0 Ų041.3 Ų41.30%024%0.238CC..EExtended strand (participates in β ladder)trans-74.1127.9171.729.6-29.1000110.1G595 D596 V624 F626 V689G595-P650 PolarHBondContact N-O 3.04Å; D596-P650 VanDerWaalsContact O-CD 3.22Å; D596-P650 WeakPolarHBondContact O-CD 3.21Å; V624-P650 HydrophobicContact CG2-CB 4.22Å; F626-P650 HydrophobicContact CD2-CB 4.17Å; P650-V689 HydrophobicContact CB-CG1 3.8Å; P650-V689 HydrophobicContact CB-CG2 4.02Å; P650-V689 HydrophobicContact CG-CG1 3.81Å; P650-V689 HydrophobicContact CG-CG2 4.31Å
651R93.8Very high93Very high118 Ų11839.9 Ų39.945%0.44522%0.222SC..  trans-90.3-20.9-177.8-62.5-59-173.7-176.70113Q594 E625 E627Q594-R651 PolarHBondContact NE2-O 3.02Å; E625-R651 HydrophobicContact CB-CB 4.02Å; E625-R651 PolarHBondContact O-N 2.84Å; E627-R651 IonicContact OE1-NH2 2.7Å; E627-R651 IonicContact OE2-CZ 3.2Å; E627-R651 IonicContact OE2-NE 3.32Å; E627-R651 PolarHBondContact OE2-NE 3.47Å; E627-R651 IonicContact OE2-NH2 2.88Å; E627-R651 PolarHBondContact OE2-NH2 3.07Å
652T93.4Very high93.2Very high53 Ų5337.3 Ų37.333%0.32521%0.207SC..SBendtrans-133.8156.217947.30000111.8E625E625-T652 PolarHBondContact N-OG1 3.21Å; E625-T652 VanDerWaalsContact N-OG1 3.12Å
653A93Very high93.4Very high46 Ų4632.4 Ų32.438%0.3819%0.188SC..  trans-80.9151.4174.200000111.7V689 P691A653-V689 CarbonylContact C-O 3.47Å; A653-V689 WeakPolarHBondContact CA-O 3.49Å; A653-P691 HydrophobicContact CB-CG 4.12Å
654G92.7Very high93.4Very high31 Ų3129.6 Ų29.632%0.3217%0.17SC..EExtended strand (participates in β ladder)trans138.1-168.9-177.400000113V689G654-V689 PolarHBondContact N-O 3.08Å; G654-V689 WeakPolarHBondContact O-CA 3.36Å; G654-V689 WeakPolarHBondContact O-CB 3.32Å; G654-V689 PolarHBondContact O-N 2.95Å
655N92Very high93.5Very high86 Ų8629.4 Ų29.446%0.4617%0.169SC..EExtended strand (participates in β ladder)trans-85.8133.5178.5-68-35.8000111.2G623 V624 L686G623-N655 WeakPolarHBondContact CA-O 3.5Å; V624-N655 PolarHBondContact N-O 2.59Å; N655-L686 HydrophobicContact CB-CD1 4.12Å
656I92.7Very high93.4Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-119.5134.5172.7-167.5178.4000110.7W592 T621 S622 V624 F626 L686 V687 V689W592-I656 HydrophobicContact CE3-CG2 4Å; W592-I656 HydrophobicContact CZ3-CG2 4.05Å; T621-I656 HydrophobicContact CG2-CD1 3.94Å; T621-I656 HydrophobicContact CG2-CG1 4.37Å; S622-I656 WeakPolarHBondContact O-CA 3.35Å; V624-I656 HydrophobicContact CG2-CB 3.66Å; V624-I656 HydrophobicContact CG2-CD1 3.76Å; V624-I656 HydrophobicContact CG2-CG1 3.89Å; F626-I656 HydrophobicContact CB-CD1 3.64Å; F626-I656 HydrophobicContact CD1-CD1 4.42Å; F626-I656 HydrophobicContact CD2-CD1 3.35Å; F626-I656 HydrophobicContact CE2-CD1 4.06Å; F626-I656 HydrophobicContact CG-CD1 3.55Å; I656-L686 WeakPolarHBondContact O-CA 3.28Å; I656-V687 HydrophobicContact CG2-CG1 3.27Å; I656-V687 PolarHBondContact N-O 3.03Å; I656-V687 PolarHBondContact O-N 3.47Å; I656-V689 HydrophobicContact CB-CG2 4.29Å; I656-V689 HydrophobicContact CG2-CG2 3.71Å
657T91.9Very high93.2Very high35 Ų3528.9 Ų28.922%0.21517%0.17CC..EExtended strand (participates in β ladder)trans-113.1126.5173.5-47.20000109.7T621 S622 N659 C685 L686T621-T657 CarbonylContact C-O 3.54Å; T621-T657 VanDerWaalsContact CA-O 3.24Å; T621-T657 WeakPolarHBondContact CA-O 3.36Å; S622-T657 PolarHBondContact N-O 2.9Å; S622-T657 PolarHBondContact O-N 2.7Å; T657-N659 WeakPolarHBondContact CG2-OD1 3.46Å; T657-N659 PolarHBondContact O-N 3.15Å; T657-C685 CarbonylContact C-O 3.53Å; T657-C685 WeakPolarHBondContact CA-O 3.43Å; T657-L686 VanDerWaalsContact OG1-CD1 3.25Å; T657-L686 WeakPolarHBondContact OG1-CD1 3.48Å
658V91.8Very high93.2Very high4 Ų427.1 Ų27.12%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-81.5107.6169.5-179.20000108.5L544 V600 L619 T621 C685L544-V658 HydrophobicContact CD1-CB 4.31Å; L544-V658 HydrophobicContact CD1-CG2 4Å; L544-V658 HydrophobicContact CD2-CG2 4.03Å; L544-V658 HydrophobicContact CG-CG2 4.22Å; V600-V658 HydrophobicContact CG2-CG2 4.28Å; L619-V658 HydrophobicContact CD2-CG1 4.13Å; T621-V658 HydrophobicContact CG2-CG2 4.33Å; V658-C685 HydrophobicContact CB-CB 4.38Å; V658-C685 PolarHBondContact N-O 3.21Å; V658-C685 WeakPolarHBondContact O-CB 3.22Å
659N90.8Very high93.1Very high57 Ų5729.2 Ų29.231%0.30517%0.174SC..EExtended strand (participates in β ladder)trans-90.4-23.4-174.2-65.4-17.8000113L620 S622 T657 L673 L674L620-N659 PolarHBondContact O-N 3.24Å; S622-N659 WeakPolarHBondContact CB-ND2 2.95Å; S622-N659 PolarHBondContact OG-ND2 3.45Å; S622-N659 PolarHBondContact OG-OD1 3.11Å; T657-N659 WeakPolarHBondContact CG2-OD1 3.46Å; T657-N659 PolarHBondContact O-N 3.15Å; N659-L673 HydrophobicContact CB-CD2 4.42Å; N659-L673 WeakPolarHBondContact O-CA 3.47Å; N659-L674 WeakPolarHBondContact O-CG 3.18Å; N659-L674 PolarHBondContact O-N 2.75Å
660G92.3Very high93Very high2 Ų228.5 Ų28.52%0.02117%0.17CC..EExtended strand (participates in β ladder)trans172.2-161.9-17000000113.3L620 C672L620-G660 PolarHBondContact N-O 3.17Å; L620-G660 PolarHBondContact O-N 2.88Å; G660-C672 CarbonylContact C-O 3.41Å; G660-C672 WeakPolarHBondContact CA-O 3.3Å
661Y93.1Very high93Very high1 Ų131.3 Ų31.30%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-138146.5174.260.9-82.1000110.6V539 M617 G618 L620 T663 C672 L677V539-Y661 HydrophobicContact CB-CE1 3.94Å; V539-Y661 HydrophobicContact CG1-CE1 4.48Å; V539-Y661 HydrophobicContact CG2-CD1 4.14Å; V539-Y661 HydrophobicContact CG2-CE1 3.38Å; V539-Y661 HydrophobicContact CG2-CE2 4.14Å; V539-Y661 WeakPolarHBondContact CG2-OH 3.48Å; M617-Y661 HydrophobicContact CE-CD2 3.6Å; M617-Y661 HydrophobicContact CE-CE2 3.98Å; M617-Y661 HydrophobicContact CE-CG 4.07Å; G618-Y661 CarbonylContact O-C 3.59Å; G618-Y661 WeakPolarHBondContact O-CA 3.26Å; G618-Y661 VanDerWaalsContact O-CB 3.3Å; G618-Y661 WeakPolarHBondContact O-CB 3.32Å; L620-Y661 WeakPolarHBondContact CD1-O 3.47Å; Y661-T663 HydrophobicContact CD2-CG2 4.31Å; Y661-T663 HydrophobicContact CE2-CG2 4.05Å; Y661-C672 HydrophobicContact CD1-CB 4.02Å; Y661-C672 HydrophobicContact CD2-CB 4.06Å; Y661-C672 HydrophobicContact CE1-CB 3.53Å; Y661-C672 HydrophobicContact CE2-CB 3.61Å; Y661-C672 HydrophobicContact CG-CB 4.26Å; Y661-C672 PolarHBondContact N-O 3.25Å; Y661-C672 PolarHBondContact O-N 2.97Å; Y661-L677 HydrophobicContact CE1-CD1 4.28Å
662H93.9Very high92.8Very high56 Ų5625.7 Ų25.726%0.25916%0.163SC..EExtended strand (participates in β ladder)trans-91.1145.9167.2-176.474.9000108.8N616 M617 G618 L620 S670 D671N616-H662 PolarHBondContact O-CD2 2.9Å; M617-H662 CarbonylContact C-O 3.58Å; M617-H662 VanDerWaalsContact CA-O 3.26Å; M617-H662 WeakPolarHBondContact CA-O 3.22Å; G618-H662 PolarHBondContact N-O 3.22Å; G618-H662 PolarHBondContact O-N 3.36Å; L620-H662 HydrophobicContact CD2-CB 4.14Å; L620-H662 HydrophobicContact CG-CB 4.32Å; H662-S670 WeakPolarHBondContact CA-O 3.44Å; H662-D671 IonicContact CE1-OD1 3.74Å; H662-D671 IonicContact CG-OD1 3.5Å; H662-D671 IonicContact ND1-OD1 3.52Å; H662-D671 PolarHBondContact ND1-OD1 2.88Å
663T94.3Very high92.7Very high1 Ų127.9 Ų27.91%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-153.5149.9177.4-172.50000111.5V614 Y661 S669 S670V614-T663 WeakPolarHBondContact CG1-OG1 3.28Å; Y661-T663 HydrophobicContact CD2-CG2 4.31Å; Y661-T663 HydrophobicContact CE2-CG2 4.05Å; T663-S669 CarbonylContact O-C 3.56Å; T663-S669 WeakPolarHBondContact O-CA 3.34Å; T663-S670 PolarHBondContact N-O 3.44Å; T663-S670 PolarHBondContact O-N 2.85Å
664S94.6Very high92.4Very high10 Ų1025.9 Ų25.97%0.0716%0.155CC..EExtended strand (participates in β ladder)trans-120.2119.3169.3-177.10000109.9E615 V668E615-S664 PolarHBondContact N-O 3.35Å; E615-S664 WeakPolarHBondContact O-CA 3.24Å; E615-S664 WeakPolarHBondContact O-CB 3.28Å; E615-S664 PolarHBondContact O-N 3.4Å; S664-V668 WeakPolarHBondContact CA-O 3.45Å
665V94.2Very high91.7Very high1 Ų132.6 Ų32.61%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-135.5130.4-180-178.70000108.8F533 L536 L612 V614 G667 V668F533-V665 HydrophobicContact CD2-CB 4.38Å; L536-V665 WeakPolarHBondContact O-CG2 3.45Å; L612-V665 HydrophobicContact CD1-CG1 3.68Å; L612-V665 HydrophobicContact CG-CG1 4.39Å; V614-V665 HydrophobicContact CB-CG2 4.35Å; V614-V665 HydrophobicContact CG1-CG2 3.97Å; V614-V665 HydrophobicContact CG2-CG2 4.12Å; V665-G667 PolarHBondContact O-N 3.33Å; V665-G667 VanDerWaalsContact O-N 3.15Å; V665-V668 PolarHBondContact N-O 3.47Å; V665-V668 VanDerWaalsContact N-O 3.08Å; V665-V668 WeakPolarHBondContact O-CB 3.41Å; V665-V668 PolarHBondContact O-N 3.47Å
666F93.5Very high90.6Very high21 Ų2130.9 Ų30.99%0.09218%0.181CC..THydrogen-bonded Turntrans53.431-176.7-52.9-50.4000114.1T503 L506 E507 T510 L536 Y610 L612 V668T503-F666 HydrophobicContact CG2-CD2 3.93Å; T503-F666 HydrophobicContact CG2-CE1 4.49Å; T503-F666 HydrophobicContact CG2-CE2 3.47Å; T503-F666 VanDerWaalsContact CG2-CE2 3.47Å; T503-F666 HydrophobicContact CG2-CZ 3.78Å; L506-F666 HydrophobicContact CD2-CB 3.94Å; L506-F666 HydrophobicContact CD2-CD2 4.41Å; L506-F666 HydrophobicContact CG-CB 4.29Å; E507-F666 HydrophobicContact CG-CB 3.85Å; E507-F666 HydrophobicContact CG-CD1 3.88Å; E507-F666 HydrophobicContact CG-CG 4.24Å; E507-F666 VanDerWaalsContact OE1-CD1 3.26Å; E507-F666 WeakPolarHBondContact OE1-CD1 3.15Å; T510-F666 WeakPolarHBondContact CB-O 3.33Å; T510-F666 WeakPolarHBondContact CG2-O 3.49Å; T510-F666 PolarHBondContact OG1-O 3.46Å; L536-F666 HydrophobicContact CD1-CE2 4.29Å; Y610-F666 HydrophobicContact CE2-CZ 4.28Å; L612-F666 HydrophobicContact CD1-CE1 3.99Å; L612-F666 HydrophobicContact CD1-CE2 3.74Å; L612-F666 HydrophobicContact CD1-CZ 3.31Å; F666-V668 VanDerWaalsContact C-N 3.32Å
667G90.6Very high89.9Confident29 Ų2931.5 Ų31.530%0.29918%0.184SC..THydrogen-bonded Turntrans74.816.7-176.700000114.9T510 G515 V665T510-G667 WeakPolarHBondContact CG2-O 3.28Å; G515-G667 PolarHBondContact N-O 3.02Å; V665-G667 PolarHBondContact O-N 3.33Å; V665-G667 VanDerWaalsContact O-N 3.15Å
668V93.7Very high88.6Confident5 Ų535.1 Ų35.13%0.0321%0.208CC..EExtended strand (participates in β ladder)trans-109.2115.1173.3-175.90000109.5V480 L506 T510 F533 S664 V665 F666V480-V668 HydrophobicContact CG1-CG2 4.2Å; L506-V668 HydrophobicContact CD1-CG2 3.92Å; L506-V668 HydrophobicContact CD2-CG2 3.98Å; L506-V668 HydrophobicContact CG-CG2 4.17Å; T510-V668 HydrophobicContact CG2-CG2 3.77Å; F533-V668 HydrophobicContact CD2-CB 4.34Å; F533-V668 HydrophobicContact CD2-CG1 4.49Å; F533-V668 HydrophobicContact CE2-CB 4.13Å; F533-V668 HydrophobicContact CE2-CG1 4.47Å; F533-V668 HydrophobicContact CE2-CG2 4.23Å; F533-V668 HydrophobicContact CZ-CG2 4.48Å; S664-V668 WeakPolarHBondContact CA-O 3.45Å; V665-V668 PolarHBondContact N-O 3.47Å; V665-V668 VanDerWaalsContact N-O 3.08Å; V665-V668 WeakPolarHBondContact O-CB 3.41Å; V665-V668 PolarHBondContact O-N 3.47Å; F666-V668 VanDerWaalsContact C-N 3.32Å
669S93.8Very high87.4Confident43 Ų4338 Ų3830%0.30123%0.229SC..EExtended strand (participates in β ladder)trans-81.5130.6171.9-59.50000110.5G515 T663G515-S669 PolarHBondContact O-N 3.35Å; T663-S669 CarbonylContact O-C 3.56Å; T663-S669 WeakPolarHBondContact O-CA 3.34Å
670S93.3Very high86.8Confident0 Ų036 Ų360%022%0.219CC..EExtended strand (participates in β ladder)trans-136.6136-175.3-72.30000112.2F533 H662 T663F533-S670 WeakPolarHBondContact CB-OG 3.36Å; F533-S670 PolarHBondContact N-OG 2.84Å; F533-S670 VanDerWaalsContact N-OG 3.17Å; H662-S670 WeakPolarHBondContact CA-O 3.44Å; T663-S670 PolarHBondContact N-O 3.44Å; T663-S670 PolarHBondContact O-N 2.85Å
671D93Very high85.7Confident59 Ų5944.1 Ų44.132%0.31625%0.253SS..EExtended strand (participates in β ladder)trans-100.4112.6168.1-65.1-24000109.3M517 L620 H662M517-D671 HydrophobicContact CE-CB 4.21Å; M517-D671 HydrophobicContact CG-CB 4.25Å; L620-D671 HydrophobicContact CD1-CB 3.73Å; H662-D671 IonicContact CE1-OD1 3.74Å; H662-D671 IonicContact CG-OD1 3.5Å; H662-D671 IonicContact ND1-OD1 3.52Å; H662-D671 PolarHBondContact ND1-OD1 2.88Å
672C90.8Very high84.4Confident0 Ų046.4 Ų46.40%027%0.267CS..EExtended strand (participates in β ladder)trans-108.2103.1-174.2-68.10000110.1T534 G660 Y661T534-C672 HydrophobicContact CG2-CB 4.3Å; G660-C672 CarbonylContact C-O 3.41Å; G660-C672 WeakPolarHBondContact CA-O 3.3Å; Y661-C672 HydrophobicContact CD1-CB 4.02Å; Y661-C672 HydrophobicContact CD2-CB 4.06Å; Y661-C672 HydrophobicContact CE1-CB 3.53Å; Y661-C672 HydrophobicContact CE2-CB 3.61Å; Y661-C672 HydrophobicContact CG-CB 4.26Å; Y661-C672 PolarHBondContact N-O 3.25Å; Y661-C672 PolarHBondContact O-N 2.97Å
673L90.6Very high82.9Confident98 Ų9846.9 Ų46.951%0.51328%0.277SS..EExtended strand (participates in β ladder)trans-80.4139.3179.2-59.9177.7000112.1N659 E675 G676N659-L673 HydrophobicContact CB-CD2 4.42Å; N659-L673 WeakPolarHBondContact O-CA 3.47Å; L673-E675 PolarHBondContact O-N 3.14Å; L673-G676 PolarHBondContact O-N 3.25Å
674L87Confident81.7Confident4 Ų448 Ų482%0.02129%0.288CS..G310 helixtrans-66.5-34.1-177.7-58.8-176.3000113.1V542 N659 G676 L677 V680 T682V542-L674 HydrophobicContact CB-CD1 4.34Å; V542-L674 HydrophobicContact CG1-CD1 4.29Å; V542-L674 HydrophobicContact CG2-CD1 4.07Å; V542-L674 HydrophobicContact CG2-CD2 3.62Å; V542-L674 HydrophobicContact CG2-CG 4.5Å; N659-L674 WeakPolarHBondContact O-CG 3.18Å; N659-L674 PolarHBondContact O-N 2.75Å; L674-G676 PolarHBondContact O-N 2.72Å; L674-G676 VanDerWaalsContact O-N 3.13Å; L674-L677 HydrophobicContact CD2-CD1 4.01Å; L674-L677 PolarHBondContact O-N 3.08Å; L674-L677 VanDerWaalsContact O-N 3.13Å; L674-V680 HydrophobicContact CD2-CG1 4.43Å; L674-T682 HydrophobicContact CB-CG2 3.89Å
675E79Confident81.1Confident173 Ų17347.8 Ų47.881%0.80829%0.287SS*.G310 helixtrans-58.6-25.7178.2-66.6-170158.400113.1L673 T682L673-E675 PolarHBondContact O-N 3.14Å; E675-T682 HydrophobicContact CG-CG2 4.18Å
676G67.1Low80.9Confident49 Ų4949.3 Ų49.351%0.50530%0.295SS..G310 helixtrans-87.8-3-178.800000115L673 L674L673-G676 PolarHBondContact O-N 3.25Å; L674-G676 PolarHBondContact O-N 2.72Å; L674-G676 VanDerWaalsContact O-N 3.13Å
677L79.4Confident80.8Confident14 Ų1448.3 Ų48.37%0.07329%0.291CS..  trans-95.4118.5-172.2-62.9177.1000111.7T534 V539 Y661 L674 S679 V680T534-L677 HydrophobicContact CG2-CD2 3.84Å; V539-L677 HydrophobicContact CB-CD1 4.16Å; V539-L677 HydrophobicContact CG1-CD1 4.44Å; Y661-L677 HydrophobicContact CE1-CD1 4.28Å; L674-L677 HydrophobicContact CD2-CD1 4.01Å; L674-L677 PolarHBondContact O-N 3.08Å; L674-L677 VanDerWaalsContact O-N 3.13Å; L677-S679 PolarHBondContact O-N 3.41Å; L677-V680 HydrophobicContact CB-CB 4.06Å; L677-V680 HydrophobicContact CB-CG2 3.79Å; L677-V680 HydrophobicContact CD1-CB 4.45Å; L677-V680 HydrophobicContact CD1-CG2 3.77Å; L677-V680 HydrophobicContact CG-CG2 4.46Å; L677-V680 PolarHBondContact O-N 2.9Å
678P64.6Low80.9Confident110 Ų11049.5 Ų49.571%0.71429%0.288SS*.THydrogen-bonded Turntrans-71.621-170.926.8-33.8000115.7
679S66.4Low80.9Confident66 Ų6649.4 Ų49.446%0.46229%0.288SS..THydrogen-bonded Turntrans-150.8-6.1177.8-55.30000114R540 L677R540-S679 PolarHBondContact NH1-OG 2.83Å; L677-S679 PolarHBondContact O-N 3.41Å
680V77.1Confident80.9Confident15 Ų1547.5 Ų47.59%0.09127%0.274CS..  trans-95.1121.6-177.9-177.90000108.7V539 V542 L674 L677 T682V539-V680 HydrophobicContact CG1-CG2 4.39Å; V542-V680 HydrophobicContact CB-CG1 4.45Å; V542-V680 HydrophobicContact CG2-CG1 3.96Å; L674-V680 HydrophobicContact CD2-CG1 4.43Å; L677-V680 HydrophobicContact CB-CB 4.06Å; L677-V680 HydrophobicContact CB-CG2 3.79Å; L677-V680 HydrophobicContact CD1-CB 4.45Å; L677-V680 HydrophobicContact CD1-CG2 3.77Å; L677-V680 HydrophobicContact CG-CG2 4.46Å; L677-V680 PolarHBondContact O-N 2.9Å; V680-T682 PolarHBondContact O-N 3.26Å
681K69.3Low80.9Confident172 Ų17248 Ų4875%0.74828%0.277SS*.  trans-77.3121.8169.1-65.4-179.7-179176.30108S683K681-S683 PolarHBondContact O-N 3.38Å
682T66.3Low81Confident49 Ų4946 Ų4630%0.30127%0.268SS..  trans-77.9-5175.2500000113.5L674 E675 V680 G684L674-T682 HydrophobicContact CB-CG2 3.89Å; E675-T682 HydrophobicContact CG-CG2 4.18Å; V680-T682 PolarHBondContact O-N 3.26Å; T682-G684 PolarHBondContact O-N 2.84Å
683S63.4Low81.1Confident65 Ų6546.4 Ų46.446%0.45527%0.27SS..THydrogen-bonded Turntrans-67.4121.2172.759.50000110.2K681K681-S683 PolarHBondContact O-N 3.38Å
684G68.4Low81.2Confident24 Ų2441.8 Ų41.825%0.24725%0.246CC..THydrogen-bonded Turntrans94.832.3-179.600000114.6I588 T682I588-G684 WeakPolarHBondContact CD1-O 3.32Å; T682-G684 PolarHBondContact O-N 2.84Å
685C82.9Confident81.4Confident7 Ų745.4 Ų45.45%0.04726%0.259CS..  trans-107.43.3171.5-61.60000113.4T657 V658T657-C685 CarbonylContact C-O 3.53Å; T657-C685 WeakPolarHBondContact CA-O 3.43Å; V658-C685 HydrophobicContact CB-CB 4.38Å; V658-C685 PolarHBondContact N-O 3.21Å; V658-C685 WeakPolarHBondContact O-CB 3.22Å
686L88.7Confident82Confident33 Ų3337.8 Ų37.817%0.17322%0.224CC..EExtended strand (participates in β ladder)trans-105.4120.4178.7179.776000109.7K587 I588 N655 I656 T657K587-L686 HydrophobicContact CB-CD2 4.44Å; I588-L686 WeakPolarHBondContact CG1-O 3.44Å; I588-L686 PolarHBondContact N-O 2.79Å; I588-L686 VanDerWaalsContact N-O 3.13Å; N655-L686 HydrophobicContact CB-CD1 4.12Å; I656-L686 WeakPolarHBondContact O-CA 3.28Å; T657-L686 VanDerWaalsContact OG1-CD1 3.25Å; T657-L686 WeakPolarHBondContact OG1-CD1 3.48Å
687V91.4Very high83.1Confident0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-127.6145.817663.50000110L544 I588 F590 W592 I656L544-V687 HydrophobicContact CD2-CB 3.99Å; L544-V687 HydrophobicContact CD2-CG1 3.68Å; I588-V687 HydrophobicContact CD1-CB 4.35Å; F590-V687 HydrophobicContact CD2-CG2 4.22Å; F590-V687 HydrophobicContact CE2-CG2 4.09Å; W592-V687 HydrophobicContact CB-CG2 4.41Å; W592-V687 HydrophobicContact CD2-CG1 3.67Å; W592-V687 HydrophobicContact CD2-CG2 4.14Å; W592-V687 HydrophobicContact CE3-CG1 3.36Å; W592-V687 HydrophobicContact CG-CG1 4.33Å; W592-V687 HydrophobicContact CG-CG2 4.02Å; W592-V687 HydrophobicContact CH2-CG1 4.11Å; W592-V687 HydrophobicContact CZ2-CG1 4.38Å; W592-V687 HydrophobicContact CZ3-CG1 3.61Å; I656-V687 HydrophobicContact CG2-CG1 3.27Å; I656-V687 PolarHBondContact N-O 3.03Å; I656-V687 PolarHBondContact O-N 3.47Å
688E92.6Very high83.6Confident54 Ų5440.4 Ų40.425%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-88.7127.9174.1177174.7-144.700109.2K587 Q591 W592 I690K587-E688 WeakPolarHBondContact CE-OE2 3.44Å; K587-E688 VanDerWaalsContact NZ-CD 3.27Å; K587-E688 IonicContact NZ-OE1 3.46Å; K587-E688 IonicContact NZ-OE2 3.76Å; K587-E688 PolarHBondContact NZ-OE2 3.5Å; Q591-E688 WeakPolarHBondContact CA-O 3.36Å; Q591-E688 WeakPolarHBondContact CB-O 3.21Å; Q591-E688 HydrophobicContact CG-CB 4.34Å; W592-E688 PolarHBondContact N-O 3.32Å; E688-I690 HydrophobicContact CG-CG2 4.43Å
689V94Very high84.8Confident3 Ų338 Ų382%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-96.7118.9171.2-174.70000108.2W592 Q594 V624 P650 A653 G654 I656W592-V689 HydrophobicContact CB-CG2 4.24Å; W592-V689 CarbonylContact O-C 3.14Å; W592-V689 WeakPolarHBondContact O-CA 3.35Å; Q594-V689 HydrophobicContact CB-CG1 4.28Å; V624-V689 HydrophobicContact CG2-CG2 4.16Å; P650-V689 HydrophobicContact CB-CG1 3.8Å; P650-V689 HydrophobicContact CB-CG2 4.02Å; P650-V689 HydrophobicContact CG-CG1 3.81Å; P650-V689 HydrophobicContact CG-CG2 4.31Å; A653-V689 CarbonylContact C-O 3.47Å; A653-V689 WeakPolarHBondContact CA-O 3.49Å; G654-V689 PolarHBondContact N-O 3.08Å; G654-V689 WeakPolarHBondContact O-CA 3.36Å; G654-V689 WeakPolarHBondContact O-CB 3.32Å; G654-V689 PolarHBondContact O-N 2.95Å; I656-V689 HydrophobicContact CB-CG2 4.29Å; I656-V689 HydrophobicContact CG2-CG2 3.71Å
690I94.3Very high86Confident3 Ų336.5 Ų36.52%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-89.9164.3174.967.2158.5000110.9P553 Q591 W592 V593 Q594 E688 L693 Y869P553-I690 HydrophobicContact CB-CD1 3.37Å; P553-I690 HydrophobicContact CB-CG1 4.43Å; P553-I690 HydrophobicContact CG-CD1 3.87Å; P553-I690 HydrophobicContact CG-CG1 4.48Å; Q591-I690 HydrophobicContact CB-CG2 4.07Å; Q591-I690 HydrophobicContact CG-CG2 4.06Å; W592-I690 WeakPolarHBondContact O-CG1 3.45Å; W592-I690 PolarHBondContact O-N 2.75Å; V593-I690 HydrophobicContact CB-CG1 4.37Å; V593-I690 HydrophobicContact CG1-CG1 4.5Å; V593-I690 HydrophobicContact CG2-CD1 4.03Å; V593-I690 HydrophobicContact CG2-CG1 3.84Å; Q594-I690 WeakPolarHBondContact CB-O 3.46Å; Q594-I690 PolarHBondContact N-O 2.98Å; E688-I690 HydrophobicContact CG-CG2 4.43Å; I690-L693 HydrophobicContact CD1-CD1 3.77Å; I690-Y869 HydrophobicContact CB-CE2 4.34Å; I690-Y869 HydrophobicContact CD1-CD1 3.66Å; I690-Y869 HydrophobicContact CD1-CD2 4.03Å; I690-Y869 HydrophobicContact CD1-CE1 4.14Å; I690-Y869 HydrophobicContact CD1-CE2 4.5Å; I690-Y869 HydrophobicContact CD1-CG 3.6Å; I690-Y869 HydrophobicContact CG2-CE1 4Å; I690-Y869 HydrophobicContact CG2-CE2 4.02Å
691P93.9Very high86.6Confident9 Ų939.3 Ų39.36%0.05822%0.217CC..PPolyproline II helixtrans-58.2163.6175.2-24.334.7000113.7A653 A863 E867A653-P691 HydrophobicContact CB-CG 4.12Å; P691-A863 HydrophobicContact CB-CB 3.76Å; P691-E867 WeakPolarHBondContact CD-OE2 2.95Å; P691-E867 VanDerWaalsContact CG-CD 3.42Å; P691-E867 HydrophobicContact CG-CG 4.23Å; P691-E867 WeakPolarHBondContact CG-OE2 3.1Å
692S93.1Very high87.5Confident19 Ų1932.3 Ų32.313%0.13319%0.188CC..PPolyproline II helixtrans-56.6142.5-179.2510000112.3E743 G864S692-E743 WeakPolarHBondContact CB-OE1 3.37Å; S692-E743 PolarHBondContact OG-OE1 3.04Å; S692-G864 PolarHBondContact O-N 2.96Å
693L93.4Very high88.1Confident8 Ų834.3 Ų34.34%0.04220%0.202CC..  trans-125.7146.1174.2-76.4168.7000109.5P553 V593 I690 R871P553-L693 HydrophobicContact CB-CD1 3.8Å; V593-L693 HydrophobicContact CG1-CB 4.25Å; V593-L693 HydrophobicContact CG2-CD1 4.44Å; I690-L693 HydrophobicContact CD1-CD1 3.77Å; L693-R871 HydrophobicContact CB-CG 4.49Å; L693-R871 HydrophobicContact CD1-CG 4.2Å; L693-R871 PolarHBondContact O-NH1 3.49Å
694P92.9Very high88.8Confident1 Ų140.7 Ų40.71%0.00622%0.216CC..  trans-63.516117927.1-35.2000112.1E743 I745 Y859 R871P694-E743 HydrophobicContact CB-CB 4.08Å; P694-I745 HydrophobicContact CB-CD1 4.49Å; P694-I745 HydrophobicContact CB-CG1 3.56Å; P694-I745 HydrophobicContact CG-CG1 3.98Å; P694-Y859 HydrophobicContact CG-CD2 4.11Å; P694-Y859 HydrophobicContact CG-CE2 4.43Å; P694-Y859 WeakPolarHBondContact O-CE2 3.33Å; P694-R871 WeakPolarHBondContact O-CD 3.38Å; P694-R871 PolarHBondContact O-NH1 3.43Å
695R91.5Very high89.1Confident79 Ų7940.5 Ų40.530%0.29821%0.211SC..  trans-120.2126.4178.3-66.4-178.2-175.1169.59.1109.7L551 G595 D596 N739 I740 G741 R871L551-R695 HydrophobicContact CD2-CG 3.94Å; G595-R695 PolarHBondContact O-NH2 2.93Å; G595-R695 VanDerWaalsContact O-NH2 3.08Å; D596-R695 IonicContact OD1-CZ 2.96Å; D596-R695 VanDerWaalsContact OD1-CZ 3.27Å; D596-R695 IonicContact OD1-NE 3.87Å; D596-R695 PolarHBondContact OD1-NE 2.83Å; D596-R695 VanDerWaalsContact OD1-NE 3.08Å; D596-R695 IonicContact OD1-NH2 3.64Å; D596-R695 PolarHBondContact OD1-NH2 3.01Å; R695-N739 PolarHBondContact O-OD1 2.94Å; R695-I740 HydrophobicContact CB-CD1 4.37Å; R695-I740 HydrophobicContact CB-CG1 3.82Å; R695-I740 WeakPolarHBondContact O-CG1 3.37Å; R695-I740 PolarHBondContact O-N 3.04Å; R695-G741 PolarHBondContact O-N 3.07Å; R695-R871 VanDerWaalsContact CG-NH1 3.31Å
696L90.6Very high88Confident13 Ų1345 Ų457%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-115.9130.1-176.8-16969000111L737 E738 I745 L748 Y859L696-L737 HydrophobicContact CD1-CB 3.88Å; L696-L737 HydrophobicContact CD2-CB 4.29Å; L696-L737 HydrophobicContact CD2-CD1 4.29Å; L696-L737 HydrophobicContact CD2-CD2 4.08Å; L696-L737 HydrophobicContact CD2-CG 4.46Å; L696-L737 HydrophobicContact CG-CB 4.31Å; L696-L737 HydrophobicContact CG-CD2 4.5Å; L696-E738 WeakPolarHBondContact CA-O 3.29Å; L696-E738 VanDerWaalsContact CD1-O 3.32Å; L696-E738 WeakPolarHBondContact CD1-O 3.32Å; L696-I745 HydrophobicContact CB-CD1 4.25Å; L696-I745 HydrophobicContact CD1-CD1 3.39Å; L696-I745 HydrophobicContact CG-CD1 4.31Å; L696-L748 HydrophobicContact CD2-CD1 4.42Å; L696-Y859 HydrophobicContact CB-CD1 4.31Å; L696-Y859 HydrophobicContact CB-CD2 4.02Å; L696-Y859 HydrophobicContact CB-CE1 3.94Å; L696-Y859 HydrophobicContact CB-CE2 3.59Å; L696-Y859 HydrophobicContact CB-CG 4.36Å; L696-Y859 HydrophobicContact CD2-CD1 3.93Å; L696-Y859 HydrophobicContact CD2-CE1 4.2Å; L696-Y859 HydrophobicContact CD2-CG 4.11Å
697Q90.6Very high86.5Confident99 Ų9949.5 Ų49.546%0.46327%0.269SS..EExtended strand (participates in β ladder)trans-105136.8173.4-173.5171.518.800110.3L737 E738 I740Q697-L737 WeakPolarHBondContact O-CA 3.36Å; Q697-E738 HydrophobicContact CB-CB 4.43Å; Q697-E738 PolarHBondContact N-O 2.96Å; Q697-E738 PolarHBondContact O-N 3.33Å; Q697-I740 HydrophobicContact CB-CD1 4.07Å; Q697-I740 HydrophobicContact CB-CG1 4.23Å; Q697-I740 HydrophobicContact CB-CG2 3.85Å
698L90.4Very high84.8Confident20 Ų2055.3 Ų55.311%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-111.7135.5-179.1179.2149.8000111.5T700 S719 I735 L737 F857 L873 L875L698-T700 HydrophobicContact CD2-CG2 3.77Å; L698-S719 WeakPolarHBondContact CD2-OG 3.02Å; L698-I735 HydrophobicContact CD1-CG2 3.82Å; L698-I735 HydrophobicContact CG-CG2 3.96Å; L698-L737 HydrophobicContact CB-CD2 4.07Å; L698-L737 HydrophobicContact CD1-CD2 3.9Å; L698-L737 HydrophobicContact CG-CD2 4.06Å; L698-F857 HydrophobicContact CD1-CD2 3.94Å; L698-F857 HydrophobicContact CD1-CE2 3.55Å; L698-F857 HydrophobicContact CD1-CZ 4.11Å; L698-L873 HydrophobicContact CB-CD1 4.31Å; L698-L873 HydrophobicContact CB-CD2 3.6Å; L698-L873 HydrophobicContact CD1-CD2 3.33Å; L698-L873 HydrophobicContact CG-CD2 4.03Å; L698-L875 HydrophobicContact CD1-CB 4.17Å; L698-L875 HydrophobicContact CD1-CD2 4.4Å; L698-L875 HydrophobicContact CD2-CD1 4.18Å; L698-L875 HydrophobicContact CD2-CD2 4.45Å
699S89.9Confident83Confident58 Ų5854 Ų5441%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-135.7154.4169.960.20000111.4I735 T736S699-I735 CarbonylContact O-C 3.57Å; S699-I735 WeakPolarHBondContact O-CA 3.48Å; S699-T736 PolarHBondContact N-O 3.29Å; S699-T736 PolarHBondContact O-N 3.05Å; S699-T736 WeakPolarHBondContact OG-CB 3.43Å; S699-T736 PolarHBondContact OG-O 2.82Å
700T91.8Very high80.7Confident35 Ų3563 Ų6322%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-133.7151.4-170.957.10000111.8L698 L702 V721 L733 T734 I735 L875L698-T700 HydrophobicContact CD2-CG2 3.77Å; T700-L702 PolarHBondContact OG1-O 2.91Å; T700-V721 HydrophobicContact CG2-CG1 3.96Å; T700-V721 VanDerWaalsContact OG1-CG1 3.3Å; T700-V721 WeakPolarHBondContact OG1-CG1 3.22Å; T700-L733 HydrophobicContact CG2-CD1 4.3Å; T700-T734 CarbonylContact C-O 3.48Å; T700-T734 WeakPolarHBondContact CA-O 3.38Å; T700-I735 HydrophobicContact CG2-CG1 4.44Å; T700-L875 HydrophobicContact CG2-CD1 4.07Å; T700-L875 HydrophobicContact CG2-CD2 3.81Å
701S89.4Confident78.4Confident74 Ų7470.8 Ų70.852%0.51738%0.378SS..SBendtrans-75.7-20.3174.563.10000114.4T734S701-T734 PolarHBondContact N-O 3.17Å; S701-T734 PolarHBondContact OG-N 2.92Å
702L87.3Confident76.2Confident25 Ų2573.3 Ų73.313%0.13139%0.39CS..SBendtrans-89.8151.1177.1-66.2179.6000111.7T700 V721 V723 L733 I791T700-L702 PolarHBondContact OG1-O 2.91Å; L702-V721 HydrophobicContact CB-CB 4.09Å; L702-V721 HydrophobicContact CB-CG1 4.18Å; L702-V723 HydrophobicContact CD1-CB 4.12Å; L702-V723 HydrophobicContact CD1-CG1 4.38Å; L702-L733 HydrophobicContact CB-CD1 4.11Å; L702-L733 HydrophobicContact CD1-CB 4.01Å; L702-L733 HydrophobicContact CD1-CD1 3.9Å; L702-L733 HydrophobicContact CD1-CG 4.35Å; L702-L733 HydrophobicContact CG-CB 4.48Å; L702-L733 HydrophobicContact CG-CD1 3.83Å; L702-I791 HydrophobicContact CD1-CD1 4.22Å
703P79.2Confident73.6Confident91 Ų9178.1 Ų78.159%0.59142%0.424SS*.PPolyproline II helixtrans-63144.2178.425-32.8000111.8
704R79.2Confident71.3Confident200 Ų20087.4 Ų87.476%0.75546%0.464SS*.BIsolated β-bridgetrans-67.4132.3176.7-69.3-177.8-178.2166.50.5109.9S720R704-S720 WeakPolarHBondContact CA-O 3.3Å
705S73.4Confident69.4Low19 Ų1992.3 Ų92.313%0.13349%0.487CS..PPolyproline II helixtrans-88.1143.5176.2-1680000111H707 S720 S722S705-H707 PolarHBondContact OG-N 2.99Å; S705-S720 PolarHBondContact N-O 3.08Å; S705-S720 PolarHBondContact O-OG 2.99Å; S705-S720 VanDerWaalsContact O-OG 3.07Å; S705-S722 WeakPolarHBondContact CB-OG 3.45Å; S705-S722 PolarHBondContact OG-OG 3.18Å
706A59.8Low67.8Low103 Ų10395 Ų9585%0.85150%0.503SS*.  trans-89.2-4168.100000112.5T708A706-T708 PolarHBondContact O-N 3.21Å
707H58.6Low66.6Low126 Ų12696.8 Ų96.858%0.58351%0.512SS*.  trans-75.7113.1177.5-80.8-32.5000111S705S705-H707 PolarHBondContact OG-N 2.99Å
708T54.4Low65.4Low123 Ų12394.5 Ų94.576%0.75551%0.507SS*.  trans-78.4121.7159.520.80000108.9A706 Q710A706-T708 PolarHBondContact O-N 3.21Å; T708-Q710 PolarHBondContact O-N 3.44Å
709P54.4Low64.8Low27 Ų2795 Ų9518%0.17551%0.512CS..  trans-58.6130.2-179.221.5-31.1000110.8H711 L717 E852P709-H711 PolarHBondContact O-N 2.87Å; P709-L717 HydrophobicContact CG-CD1 3.72Å; P709-E852 VanDerWaalsContact CB-OE2 3.26Å; P709-E852 WeakPolarHBondContact CB-OE2 3.38Å
710Q46Very low64.6Low190 Ų19093.3 Ų93.389%0.88850%0.501SS*.THydrogen-bonded Turntrans-73.18.8-165.6-72.7-172.7-11.200115.6T708T708-Q710 PolarHBondContact O-N 3.44Å
711H47Very low64.5Low167 Ų16791.8 Ų91.877%0.77349%0.491SS*.THydrogen-bonded Turntrans-130.46-174.2-96.2-74.7000116.9P709P709-H711 PolarHBondContact O-N 2.87Å
712M46.5Very low64.4Low62 Ų6289.9 Ų89.931%0.30548%0.478SS..  trans-103.289-179.2-63.5-64-72.500111.4K714 E715M712-K714 VanDerWaalsContact C-N 3.25Å; M712-K714 PolarHBondContact O-N 3.38Å; M712-E715 HydrophobicContact CE-CB 3.71Å; M712-E715 HydrophobicContact CE-CG 4.13Å; M712-E715 WeakPolarHBondContact CE-OE2 3.5Å
713S39.2Very low64.5Low121 Ų12189.7 Ų89.785%0.84648%0.477SS*.SBendtrans-80.48.4178.657.90000115
714K44.7Very low65Low202 Ų20291 Ų9188%0.87848%0.476SS*.SBendtrans-147-13.2-178.7-79.2-168.5177.1177.40119M712M712-K714 VanDerWaalsContact C-N 3.25Å; M712-K714 PolarHBondContact O-N 3.38Å
715E52.9Low65.5Low105 Ų10581.6 Ų81.649%0.49144%0.44SS..  trans-111.2107.7-179.5-74.6169.8-171.900109.5M712M712-E715 HydrophobicContact CE-CB 3.71Å; M712-E715 HydrophobicContact CE-CG 4.13Å; M712-E715 WeakPolarHBondContact CE-OE2 3.5Å
716E58Low66.3Low135 Ų13581.1 Ų81.163%0.63144%0.436SS*.  trans-76.2118.8174.2-69171.3162.800109.4T549T549-E716 HydrophobicContact CG2-CB 4.13Å; T549-E716 VanDerWaalsContact CG2-OE2 3.31Å; T549-E716 WeakPolarHBondContact CG2-OE2 2.94Å
717L66.4Low67.7Low51 Ų5176.6 Ų76.627%0.26740%0.397SS..  trans-74.6143.4177.8-66.1168.3000111.2P709 V854P709-L717 HydrophobicContact CG-CD1 3.72Å; L717-V854 HydrophobicContact CD2-CB 4.38Å; L717-V854 HydrophobicContact CD2-CG1 3.59Å; L717-V854 HydrophobicContact CD2-CG2 3.85Å
718S65.8Low69Low50 Ų5070.8 Ų70.835%0.3537%0.372SS..SBendtrans-74.9-34178-43.50000111.9S874S718-S874 VanDerWaalsContact CB-O 3.23Å; S718-S874 WeakPolarHBondContact CB-O 3.38Å; S718-S874 PolarHBondContact N-O 3.31Å; S718-S874 PolarHBondContact OG-N 2.64Å; S718-S874 VanDerWaalsContact OG-N 3.14Å; S718-S874 PolarHBondContact OG-O 2.9Å
719S77.4Confident70.8Confident30 Ų3065.5 Ų65.521%0.2134%0.338CS..EExtended strand (participates in β ladder)trans-162162.5174.255.80000110.4L698 S874 L875 G876L698-S719 WeakPolarHBondContact CD2-OG 3.02Å; S719-S874 PolarHBondContact N-O 3.45Å; S719-L875 WeakPolarHBondContact O-CA 3.18Å; S719-L875 VanDerWaalsContact OG-CD1 3.24Å; S719-L875 WeakPolarHBondContact OG-CD1 3.5Å; S719-G876 PolarHBondContact O-N 2.98Å
720S85.8Confident72.4Confident24 Ų2471.4 Ų71.417%0.16836%0.357CS..EExtended strand (participates in β ladder)trans-136.1147.4172.858.50000111.6R704 S705 G876R704-S720 WeakPolarHBondContact CA-O 3.3Å; S705-S720 PolarHBondContact N-O 3.08Å; S705-S720 PolarHBondContact O-OG 2.99Å; S705-S720 VanDerWaalsContact O-OG 3.07Å; S720-G876 CarbonylContact C-O 3.58Å; S720-G876 VanDerWaalsContact CA-O 3.25Å; S720-G876 WeakPolarHBondContact CA-O 3.14Å
721V89.1Confident74.5Confident2 Ų265.8 Ų65.81%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-123147.3174.3-68.40000109.9T700 L702 L733 L875 G876 V877 H878T700-V721 HydrophobicContact CG2-CG1 3.96Å; T700-V721 VanDerWaalsContact OG1-CG1 3.3Å; T700-V721 WeakPolarHBondContact OG1-CG1 3.22Å; L702-V721 HydrophobicContact CB-CB 4.09Å; L702-V721 HydrophobicContact CB-CG1 4.18Å; V721-L733 HydrophobicContact CG2-CD2 4.18Å; V721-L875 HydrophobicContact CG1-CD1 4.18Å; V721-L875 HydrophobicContact CG2-CD1 4.34Å; V721-G876 WeakPolarHBondContact CG2-O 3.48Å; V721-G876 PolarHBondContact N-O 3.25Å; V721-V877 HydrophobicContact CG2-CB 4.4Å; V721-V877 HydrophobicContact CG2-CG1 4.38Å; V721-V877 HydrophobicContact CG2-CG2 4.08Å; V721-H878 PolarHBondContact O-N 3.37Å
722S87.8Confident76.6Confident34 Ų3463.1 Ų63.124%0.23832%0.319CS..EExtended strand (participates in β ladder)trans-127.7141.2176.152.60000111.7S705 H878S705-S722 WeakPolarHBondContact CB-OG 3.45Å; S705-S722 PolarHBondContact OG-OG 3.18Å; S722-H878 CarbonylContact C-O 3.56Å; S722-H878 VanDerWaalsContact CA-O 3.25Å; S722-H878 WeakPolarHBondContact CA-O 3.46Å
723V89.4Confident78.7Confident21 Ų2160.2 Ų60.213%0.12730%0.304CS..EExtended strand (participates in β ladder)trans-142.2144.7176.864.20000111L702 L725 Q731 I791 H878 V879 D880L702-V723 HydrophobicContact CD1-CB 4.12Å; L702-V723 HydrophobicContact CD1-CG1 4.38Å; V723-L725 HydrophobicContact CG1-CD1 4.3Å; V723-L725 HydrophobicContact CG1-CG 4.32Å; V723-L725 HydrophobicContact CG2-CD2 3.98Å; V723-L725 HydrophobicContact CG2-CG 4.14Å; V723-Q731 HydrophobicContact CG2-CG 4.35Å; V723-I791 HydrophobicContact CG1-CD1 4.14Å; V723-H878 PolarHBondContact N-O 3.35Å; V723-V879 HydrophobicContact CG1-CB 4.34Å; V723-V879 HydrophobicContact CG1-CG1 4.16Å; V723-V879 HydrophobicContact CG1-CG2 3.9Å; V723-V879 CarbonylContact O-C 3.56Å; V723-V879 WeakPolarHBondContact O-CA 3.45Å; V723-D880 PolarHBondContact O-N 3.43Å
724Q89.3Confident81.3Confident118 Ų11856.9 Ų56.955%0.55128%0.279SS*.EExtended strand (participates in β ladder)trans-105.1120.4175.7-79172.2-10.800110.2D880 R991Q724-D880 WeakPolarHBondContact CA-O 3.24Å; Q724-D880 HydrophobicContact CB-CB 4.49Å; Q724-D880 HydrophobicContact CG-CB 3.68Å; Q724-R991 PolarHBondContact O-NH1 3.29Å
725L90.7Very high83.6Confident3 Ų347.2 Ų47.22%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-130.7147.9-176.9-61.4179.3000110.3V723 E729 Q731 I791 V793 V879 D880 V881 E882V723-L725 HydrophobicContact CG1-CD1 4.3Å; V723-L725 HydrophobicContact CG1-CG 4.32Å; V723-L725 HydrophobicContact CG2-CD2 3.98Å; V723-L725 HydrophobicContact CG2-CG 4.14Å; L725-E729 WeakPolarHBondContact CA-OE2 3.34Å; L725-E729 HydrophobicContact CB-CB 4.34Å; L725-E729 HydrophobicContact CD2-CG 4.18Å; L725-Q731 HydrophobicContact CD1-CB 4.03Å; L725-Q731 HydrophobicContact CD2-CB 3.67Å; L725-Q731 HydrophobicContact CD2-CG 4.29Å; L725-I791 HydrophobicContact CD1-CB 4.47Å; L725-I791 HydrophobicContact CD1-CG2 3.83Å; L725-V793 HydrophobicContact CB-CG2 4.01Å; L725-V793 HydrophobicContact CD1-CG2 3.71Å; L725-V793 HydrophobicContact CG-CG2 4.49Å; L725-V879 HydrophobicContact CB-CG1 4.27Å; L725-V879 HydrophobicContact CD1-CG1 3.84Å; L725-V879 HydrophobicContact CG-CG1 4.14Å; L725-D880 PolarHBondContact N-O 3.13Å; L725-V881 CarbonylContact O-C 3.57Å; L725-V881 VanDerWaalsContact O-CA 3.26Å; L725-V881 WeakPolarHBondContact O-CA 3.44Å; L725-E882 PolarHBondContact O-N 2.78Å
726F89.4Confident85.4Confident10 Ų1044.1 Ų44.14%0.04423%0.226CC..EExtended strand (participates in β ladder)trans-79.5153.2166.7-72.6-80.4000110.8G728 E729 E882 P883 T911 W983 I985 L988F726-G728 PolarHBondContact O-N 3.25Å; F726-E729 HydrophobicContact CB-CB 4.38Å; F726-E729 PolarHBondContact N-OE2 2.99Å; F726-E729 WeakPolarHBondContact O-CB 3.43Å; F726-E729 PolarHBondContact O-N 2.84Å; F726-E882 CarbonylContact C-O 3.37Å; F726-E882 WeakPolarHBondContact CA-O 3.39Å; F726-E882 HydrophobicContact CD1-CB 3.69Å; F726-E882 HydrophobicContact CE1-CB 3.81Å; F726-E882 VanDerWaalsContact CE1-OE2 3.24Å; F726-E882 WeakPolarHBondContact CE1-OE2 3.47Å; F726-E882 HydrophobicContact CG-CB 4.44Å; F726-E882 WeakPolarHBondContact CZ-OE2 3.36Å; F726-P883 WeakPolarHBondContact CD1-O 3.32Å; F726-T911 HydrophobicContact CD1-CG2 4.4Å; F726-T911 HydrophobicContact CE1-CG2 4.14Å; F726-W983 HydrophobicContact CB-CH2 3.41Å; F726-W983 VanDerWaalsContact CB-CH2 3.41Å; F726-W983 HydrophobicContact CB-CZ2 3.65Å; F726-W983 HydrophobicContact CB-CZ3 4.38Å; F726-W983 HydrophobicContact CD2-CH2 4.35Å; F726-W983 HydrophobicContact CG-CH2 4.08Å; F726-I985 HydrophobicContact CE1-CD1 4.46Å; F726-I985 HydrophobicContact CE2-CD1 4.4Å; F726-I985 HydrophobicContact CZ-CD1 4.35Å; F726-L988 HydrophobicContact CE2-CD1 3.58Å; F726-L988 HydrophobicContact CZ-CD1 3.76Å
727N89.2Confident87.1Confident7 Ų737.8 Ų37.84%0.03720%0.196CC..THydrogen-bonded Turntrans-60.1126177.1-169.318.6000110.7L795 F797 V881 E882 S884 W983N727-L795 PolarHBondContact ND2-O 3.19Å; N727-L795 PolarHBondContact OD1-N 3.01Å; N727-F797 HydrophobicContact CB-CE1 4.19Å; N727-F797 HydrophobicContact CB-CZ 4.2Å; N727-F797 VanDerWaalsContact CG-CZ 3.5Å; N727-F797 WeakPolarHBondContact ND2-CZ 3.46Å; N727-V881 HydrophobicContact CB-CG1 4.02Å; N727-E882 PolarHBondContact N-O 3.02Å; N727-S884 VanDerWaalsContact O-CB 3.31Å; N727-S884 WeakPolarHBondContact O-CB 3.38Å; N727-S884 PolarHBondContact O-OG 3.05Å; N727-W983 VanDerWaalsContact O-CZ2 3.26Å; N727-W983 WeakPolarHBondContact O-CZ2 3.4Å; N727-W983 PolarHBondContact O-NE1 2.81Å
728G86.4Confident88.4Confident4 Ų438.8 Ų38.84%0.04120%0.199CC..THydrogen-bonded Turntrans92.6-11.5-17300000115F726 V793 G993 E994F726-G728 PolarHBondContact O-N 3.25Å; G728-V793 WeakPolarHBondContact CA-O 3.32Å; G728-V793 PolarHBondContact N-O 3.31Å; G728-G993 CarbonylContact O-C 3.56Å; G728-G993 WeakPolarHBondContact O-CA 3.37Å; G728-E994 VanDerWaalsContact CA-O 3.27Å; G728-E994 WeakPolarHBondContact CA-O 3.48Å; G728-E994 PolarHBondContact O-N 2.97Å
729E90.4Very high89.7Confident12 Ų1236.4 Ų36.46%0.05618%0.183CC..BIsolated β-bridgetrans-73.5150.5178.4-169.1175.8177.400111.7L725 F726 V793 W983 R991L725-E729 WeakPolarHBondContact CA-OE2 3.34Å; L725-E729 HydrophobicContact CB-CB 4.34Å; L725-E729 HydrophobicContact CD2-CG 4.18Å; F726-E729 HydrophobicContact CB-CB 4.38Å; F726-E729 PolarHBondContact N-OE2 2.99Å; F726-E729 WeakPolarHBondContact O-CB 3.43Å; F726-E729 PolarHBondContact O-N 2.84Å; E729-V793 PolarHBondContact O-N 3.43Å; E729-V793 VanDerWaalsContact O-N 3.12Å; E729-W983 HydrophobicContact CB-CH2 4.28Å; E729-W983 HydrophobicContact CB-CZ2 4.25Å; E729-R991 WeakPolarHBondContact OE1-CD 3.31Å; E729-R991 WeakPolarHBondContact OE1-CG 3.25Å; E729-R991 IonicContact OE1-CZ 3.88Å; E729-R991 IonicContact OE1-NE 2.84Å; E729-R991 IonicContact OE1-NH1 2.81Å; E729-R991 PolarHBondContact OE1-NH1 3.36Å; E729-R991 IonicContact OE2-NH1 2.68Å; E729-R991 PolarHBondContact OE2-NH1 3.13Å
730R89.3Confident90.4Very high151 Ų15139.2 Ų39.257%0.5719%0.194SC*.EExtended strand (participates in β ladder)trans-121.9132.6176.2-175.8-177.5-178.7178.31.5110.9S790 I791 K792R730-S790 VanDerWaalsContact CZ-OG 3.3Å; R730-S790 PolarHBondContact NE-OG 2.82Å; R730-S790 PolarHBondContact NH2-OG 3.47Å; R730-I791 CarbonylContact C-O 3.59Å; R730-I791 WeakPolarHBondContact CA-O 3.48Å; R730-K792 HydrophobicContact CG-CB 4.47Å
731Q89.8Confident90.5Very high73 Ų7338.7 Ų38.734%0.34119%0.193SC..EExtended strand (participates in β ladder)trans-132.8145178.3-178.95952.600111.3V723 L725 I791V723-Q731 HydrophobicContact CG2-CG 4.35Å; L725-Q731 HydrophobicContact CD1-CB 4.03Å; L725-Q731 HydrophobicContact CD2-CB 3.67Å; L725-Q731 HydrophobicContact CD2-CG 4.29Å; Q731-I791 PolarHBondContact N-O 3.13Å; Q731-I791 WeakPolarHBondContact O-CB 3.34Å; Q731-I791 PolarHBondContact O-N 2.82Å
732Q90.8Very high90.4Very high111 Ų11144.4 Ų44.452%0.51923%0.228SC..EExtended strand (participates in β ladder)trans-98.8137.5173.5-65.4-176.8-2.300111.2T788Q732-T788 HydrophobicContact CB-CG2 4.13Å; Q732-T788 HydrophobicContact CG-CG2 4.28Å
733L91.7Very high90.6Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-115.7119171.816163.2000108.4T700 L702 V721 I735 I789 I791 L875 V877T700-L733 HydrophobicContact CG2-CD1 4.3Å; L702-L733 HydrophobicContact CB-CD1 4.11Å; L702-L733 HydrophobicContact CD1-CB 4.01Å; L702-L733 HydrophobicContact CD1-CD1 3.9Å; L702-L733 HydrophobicContact CD1-CG 4.35Å; L702-L733 HydrophobicContact CG-CB 4.48Å; L702-L733 HydrophobicContact CG-CD1 3.83Å; V721-L733 HydrophobicContact CG2-CD2 4.18Å; L733-I735 HydrophobicContact CD1-CG1 4.34Å; L733-I735 HydrophobicContact CD2-CD1 4.26Å; L733-I735 HydrophobicContact CD2-CG1 4.32Å; L733-I735 HydrophobicContact CG-CD1 4.46Å; L733-I735 HydrophobicContact CG-CG1 4.03Å; L733-I789 HydrophobicContact CB-CB 4.25Å; L733-I789 HydrophobicContact CD2-CB 4.4Å; L733-I789 HydrophobicContact CG-CB 4.42Å; L733-I789 PolarHBondContact N-O 2.81Å; L733-I789 PolarHBondContact O-N 3.45Å; L733-I791 HydrophobicContact CB-CD1 4.11Å; L733-L875 HydrophobicContact CD2-CD2 4.4Å; L733-V877 HydrophobicContact CD2-CG2 4.27Å
734T92.4Very high90.7Very high51 Ų5147 Ų4731%0.31324%0.237SC..EExtended strand (participates in β ladder)trans-96.4126.7175.2-52.40000109.3T700 S701 L787T700-T734 CarbonylContact C-O 3.48Å; T700-T734 WeakPolarHBondContact CA-O 3.38Å; S701-T734 PolarHBondContact N-O 3.17Å; S701-T734 PolarHBondContact OG-N 2.92Å; T734-L787 CarbonylContact C-O 3.57Å; T734-L787 WeakPolarHBondContact CA-O 3.43Å
735I93Very high90.9Very high0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-112.2125.6178.9-56.5179.7000107.9L698 S699 T700 L733 L737 T786 L787 I789 L855 F857 L875L698-I735 HydrophobicContact CD1-CG2 3.82Å; L698-I735 HydrophobicContact CG-CG2 3.96Å; S699-I735 CarbonylContact O-C 3.57Å; S699-I735 WeakPolarHBondContact O-CA 3.48Å; T700-I735 HydrophobicContact CG2-CG1 4.44Å; L733-I735 HydrophobicContact CD1-CG1 4.34Å; L733-I735 HydrophobicContact CD2-CD1 4.26Å; L733-I735 HydrophobicContact CD2-CG1 4.32Å; L733-I735 HydrophobicContact CG-CD1 4.46Å; L733-I735 HydrophobicContact CG-CG1 4.03Å; I735-L737 HydrophobicContact CG2-CD2 3.96Å; I735-L737 HydrophobicContact CG2-CG 4.29Å; I735-T786 CarbonylContact O-C 3.6Å; I735-T786 WeakPolarHBondContact O-CA 3.37Å; I735-L787 HydrophobicContact CB-CB 4.39Å; I735-L787 PolarHBondContact N-O 3.36Å; I735-L787 PolarHBondContact O-N 3.39Å; I735-I789 HydrophobicContact CD1-CD1 4.2Å; I735-I789 HydrophobicContact CD1-CG1 3.53Å; I735-I789 HydrophobicContact CG1-CG1 4.16Å; I735-L855 HydrophobicContact CD1-CD1 3.83Å; I735-F857 HydrophobicContact CD1-CZ 3.73Å; I735-F857 HydrophobicContact CG2-CZ 4.08Å; I735-L875 HydrophobicContact CD1-CD2 3.56Å; I735-L875 HydrophobicContact CG1-CD2 4.19Å
736T92.3Very high91Very high40 Ų4045.2 Ų45.225%0.24523%0.228CC..EExtended strand (participates in β ladder)trans-109.4123.7175.1-48.60000109.1S699 T784 V785 T786S699-T736 PolarHBondContact N-O 3.29Å; S699-T736 PolarHBondContact O-N 3.05Å; S699-T736 WeakPolarHBondContact OG-CB 3.43Å; S699-T736 PolarHBondContact OG-O 2.82Å; T736-T784 HydrophobicContact CG2-CG2 4.38Å; T736-V785 WeakPolarHBondContact CA-O 3.49Å; T736-T786 HydrophobicContact CG2-CG2 4.08Å
737L92.7Very high91.1Very high1 Ų146.4 Ų46.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-109.6121.8-179.9-58.7175.4000108.9L696 Q697 L698 I735 L748 T784 V785 L787 F857L696-L737 HydrophobicContact CD1-CB 3.88Å; L696-L737 HydrophobicContact CD2-CB 4.29Å; L696-L737 HydrophobicContact CD2-CD1 4.29Å; L696-L737 HydrophobicContact CD2-CD2 4.08Å; L696-L737 HydrophobicContact CD2-CG 4.46Å; L696-L737 HydrophobicContact CG-CB 4.31Å; L696-L737 HydrophobicContact CG-CD2 4.5Å; Q697-L737 WeakPolarHBondContact O-CA 3.36Å; L698-L737 HydrophobicContact CB-CD2 4.07Å; L698-L737 HydrophobicContact CD1-CD2 3.9Å; L698-L737 HydrophobicContact CG-CD2 4.06Å; I735-L737 HydrophobicContact CG2-CD2 3.96Å; I735-L737 HydrophobicContact CG2-CG 4.29Å; L737-L748 HydrophobicContact CD1-CD1 4.25Å; L737-L748 HydrophobicContact CD1-CD2 3.81Å; L737-T784 CarbonylContact O-C 3.57Å; L737-T784 VanDerWaalsContact O-CA 3.24Å; L737-T784 WeakPolarHBondContact O-CA 3.5Å; L737-V785 HydrophobicContact CB-CG1 3.8Å; L737-V785 HydrophobicContact CD1-CG1 4.24Å; L737-V785 HydrophobicContact CG-CG1 4.47Å; L737-V785 PolarHBondContact N-O 3.3Å; L737-V785 PolarHBondContact O-N 3.1Å; L737-L787 HydrophobicContact CD1-CD1 3.61Å; L737-L787 HydrophobicContact CG-CD1 4.45Å; L737-F857 HydrophobicContact CD1-CD1 3.82Å; L737-F857 HydrophobicContact CD1-CE1 4.01Å; L737-F857 HydrophobicContact CD2-CD1 4.3Å; L737-F857 HydrophobicContact CD2-CE1 4.35Å
738E93.4Very high91.3Very high73 Ų7346.6 Ų46.634%0.34124%0.239SC..EExtended strand (participates in β ladder)trans-113.8132.5-179.3-175.4176168.900111.3L696 Q697 I740 T784L696-E738 WeakPolarHBondContact CA-O 3.29Å; L696-E738 VanDerWaalsContact CD1-O 3.32Å; L696-E738 WeakPolarHBondContact CD1-O 3.32Å; Q697-E738 HydrophobicContact CB-CB 4.43Å; Q697-E738 PolarHBondContact N-O 2.96Å; Q697-E738 PolarHBondContact O-N 3.33Å; E738-I740 HydrophobicContact CB-CG2 4.43Å; E738-I740 HydrophobicContact CG-CG2 3.97Å; E738-I740 PolarHBondContact O-N 3.41Å; E738-T784 HydrophobicContact CB-CG2 3.75Å; E738-T784 HydrophobicContact CG-CG2 3.72Å
739N93.4Very high91.5Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-80.2103.8170-175.42.6000110.2R695 G741 E743 I745 L779 G782 Q783R695-N739 PolarHBondContact O-OD1 2.94Å; N739-G741 PolarHBondContact OD1-N 3.29Å; N739-E743 PolarHBondContact ND2-O 3.22Å; N739-I745 HydrophobicContact CB-CD1 3.8Å; N739-I745 HydrophobicContact CB-CG1 4.37Å; N739-L779 PolarHBondContact ND2-O 2.82Å; N739-G782 PolarHBondContact O-N 3.38Å; N739-Q783 PolarHBondContact N-O 3.02Å
740I91.6Very high91.5Very high89 Ų8951.2 Ų51.246%0.45626%0.259SS..  trans-98.15.3178.159.7161.1000112.8R695 Q697 E738R695-I740 HydrophobicContact CB-CD1 4.37Å; R695-I740 HydrophobicContact CB-CG1 3.82Å; R695-I740 WeakPolarHBondContact O-CG1 3.37Å; R695-I740 PolarHBondContact O-N 3.04Å; Q697-I740 HydrophobicContact CB-CD1 4.07Å; Q697-I740 HydrophobicContact CB-CG1 4.23Å; Q697-I740 HydrophobicContact CB-CG2 3.85Å; E738-I740 HydrophobicContact CB-CG2 4.43Å; E738-I740 HydrophobicContact CG-CG2 3.97Å; E738-I740 PolarHBondContact O-N 3.41Å
741G87.7Confident91.6Very high13 Ų1347.6 Ų47.613%0.13425%0.254CS..SBendtrans-92-175.6179.700000113.3R695 N739 P781R695-G741 PolarHBondContact O-N 3.07Å; N739-G741 PolarHBondContact OD1-N 3.29Å; G741-P781 VanDerWaalsContact O-CB 3.3Å; G741-P781 WeakPolarHBondContact O-CB 3.27Å; G741-P781 WeakPolarHBondContact O-CG 3.42Å
742T87.5Confident91.5Very high122 Ų12246.6 Ų46.675%0.74826%0.255SS*.SBendtrans-97.1-19.9173.452.20000113.2
743E91.4Very high91.2Very high52 Ų5246.4 Ų46.424%0.24325%0.253CS..SBendtrans-89.5146.5177.7-56-62.8147.700110.4S692 P694 N739S692-E743 WeakPolarHBondContact CB-OE1 3.37Å; S692-E743 PolarHBondContact OG-OE1 3.04Å; P694-E743 HydrophobicContact CB-CB 4.08Å; N739-E743 PolarHBondContact ND2-O 3.22Å
744D92.9Very high90.7Very high57 Ų5750.1 Ų50.131%0.30528%0.275SS..  trans-69143.1171.9-70-9.8000110.4P778 L779 P781 G861D744-P778 HydrophobicContact CB-CB 4.22Å; D744-L779 WeakPolarHBondContact CA-O 3.26Å; D744-P781 VanDerWaalsContact OD1-CD 3.28Å; D744-P781 WeakPolarHBondContact OD1-CD 3.41Å; D744-G861 WeakPolarHBondContact O-CA 3.45Å
745I93.3Very high89.7Confident1 Ų148.8 Ų48.81%0.00527%0.267CS..BIsolated β-bridgetrans-90.3114.5170.9-61.6170.5000107.9P694 L696 N739 L777 P778 L779 Y859P694-I745 HydrophobicContact CB-CD1 4.49Å; P694-I745 HydrophobicContact CB-CG1 3.56Å; P694-I745 HydrophobicContact CG-CG1 3.98Å; L696-I745 HydrophobicContact CB-CD1 4.25Å; L696-I745 HydrophobicContact CD1-CD1 3.39Å; L696-I745 HydrophobicContact CG-CD1 4.31Å; N739-I745 HydrophobicContact CB-CD1 3.8Å; N739-I745 HydrophobicContact CB-CG1 4.37Å; I745-L777 HydrophobicContact CG2-CD2 4.11Å; I745-L777 WeakPolarHBondContact O-CD2 3.19Å; I745-P778 CarbonylContact O-C 3.48Å; I745-P778 WeakPolarHBondContact O-CA 3.26Å; I745-L779 HydrophobicContact CB-CB 4.01Å; I745-L779 PolarHBondContact N-O 3.33Å; I745-L779 PolarHBondContact O-N 2.97Å; I745-Y859 HydrophobicContact CD1-CD2 4.49Å
746E92.7Very high88.2Confident83 Ų8356.7 Ų56.739%0.38831%0.309SS..  trans-106.3-10.6-175.2-60.6173.4-158.300113.9P778 S860 G862 K865E746-P778 HydrophobicContact CG-CB 4.25Å; E746-S860 PolarHBondContact N-O 3.39Å; E746-G862 PolarHBondContact OE1-N 3.12Å; E746-K865 HydrophobicContact CB-CD 4.1Å; E746-K865 VanDerWaalsContact OE2-CD 3.32Å; E746-K865 WeakPolarHBondContact OE2-CD 3.28Å; E746-K865 IonicContact OE2-NZ 3.9Å; E746-K865 PolarHBondContact OE2-NZ 2.92Å
747S91.6Very high86.7Confident34 Ų3456.3 Ų56.324%0.23831%0.307CS..EExtended strand (participates in β ladder)trans-144.7137.1179.553.50000109.4Y859 S860S747-Y859 WeakPolarHBondContact O-CA 3.41Å; S747-Y859 WeakPolarHBondContact O-CB 3.29Å; S747-S860 PolarHBondContact N-O 3.17Å; S747-S860 PolarHBondContact O-N 3Å; S747-S860 VanDerWaalsContact O-N 3.13Å; S747-S860 WeakPolarHBondContact OG-CB 3.43Å; S747-S860 PolarHBondContact OG-N 3.02Å; S747-S860 PolarHBondContact OG-O 2.92Å
748L92.4Very high85.2Confident12 Ų1266.4 Ų66.46%0.06335%0.351CS..EExtended strand (participates in β ladder)trans-143.6123.5177.6-178.565.6000108.4L696 L737 L777 F857 R858L696-L748 HydrophobicContact CD2-CD1 4.42Å; L737-L748 HydrophobicContact CD1-CD1 4.25Å; L737-L748 HydrophobicContact CD1-CD2 3.81Å; L748-L777 HydrophobicContact CB-CD1 3.99Å; L748-L777 HydrophobicContact CB-CD2 4.48Å; L748-F857 HydrophobicContact CD1-CB 4.49Å; L748-R858 CarbonylContact C-O 3.6Å; L748-R858 WeakPolarHBondContact CA-O 3.29Å
749E91.2Very high84Confident95 Ų9565 Ų6544%0.44435%0.346SS..EExtended strand (participates in β ladder)trans-123137176.5-66.6172.8-178.100108.6F857 R858E749-F857 CarbonylContact O-C 3.56Å; E749-F857 WeakPolarHBondContact O-CA 3.5Å; E749-R858 HydrophobicContact CB-CB 4.15Å; E749-R858 HydrophobicContact CB-CG 4.5Å; E749-R858 PolarHBondContact N-O 2.96Å; E749-R858 PolarHBondContact O-N 3.38Å; E749-R858 IonicContact OE1-NH1 3.3Å; E749-R858 WeakPolarHBondContact OE2-CD 3.36Å; E749-R858 IonicContact OE2-CZ 3.58Å; E749-R858 IonicContact OE2-NE 3.4Å; E749-R858 IonicContact OE2-NH1 3.63Å; E749-R858 PolarHBondContact OE2-NH1 3.31Å
750L91.6Very high82.9Confident17 Ų1771.4 Ų71.49%0.08937%0.374CS..EExtended strand (participates in β ladder)trans-118.3124.9175.7177.955.8000109.8W768 I770 I789 L855 N856 F857L750-W768 HydrophobicContact CD2-CD2 4.01Å; L750-W768 HydrophobicContact CD2-CG 3.82Å; L750-W768 HydrophobicContact CG-CD2 4.42Å; L750-W768 HydrophobicContact CG-CZ2 4.24Å; L750-I770 HydrophobicContact CB-CD1 3.62Å; L750-I770 HydrophobicContact CB-CG1 4.38Å; L750-I789 HydrophobicContact CD2-CD1 3.84Å; L750-L855 HydrophobicContact CD1-CB 4.11Å; L750-L855 HydrophobicContact CD1-CD2 4.23Å; L750-N856 WeakPolarHBondContact CA-O 3.47Å; L750-F857 HydrophobicContact CD1-CD1 3.79Å; L750-F857 HydrophobicContact CD1-CD2 4.34Å; L750-F857 HydrophobicContact CD1-CE1 3.51Å; L750-F857 HydrophobicContact CD1-CE2 4.08Å; L750-F857 HydrophobicContact CD1-CG 4.19Å; L750-F857 HydrophobicContact CD1-CZ 3.65Å; L750-F857 HydrophobicContact CD2-CE1 4.05Å; L750-F857 HydrophobicContact CD2-CZ 4.47Å; L750-F857 HydrophobicContact CG-CE1 4.27Å
751T89.9Confident82.1Confident76 Ų7669 Ų6947%0.46636%0.363SS..EExtended strand (participates in β ladder)trans-125.2155.4173.561.20000110.2L855 N856T751-L855 CarbonylContact O-C 3.57Å; T751-L855 WeakPolarHBondContact O-CA 3.49Å; T751-N856 PolarHBondContact N-O 3.18Å; T751-N856 PolarHBondContact O-N 3.03Å
752S87.7Confident81.3Confident51 Ų5168.9 Ų68.936%0.35736%0.359SS..EExtended strand (participates in β ladder)trans-121.4146.7171.375.50000111.3W768 V854S752-W768 VanDerWaalsContact OG-CH2 3.24Å; S752-W768 WeakPolarHBondContact OG-CH2 3.35Å; S752-V854 CarbonylContact C-O 3.57Å; S752-V854 WeakPolarHBondContact CA-O 3.45Å
753K84.9Confident80.5Confident108 Ų10865.5 Ų65.547%0.4735%0.348SS..EExtended strand (participates in β ladder)trans-129.6114172.3-175.1-179.5176.7-1720108.8A853 V854K753-A853 CarbonylContact O-C 3.57Å; K753-A853 VanDerWaalsContact O-CA 3.32Å; K753-A853 WeakPolarHBondContact O-CA 3.23Å; K753-V854 PolarHBondContact N-O 2.88Å; K753-V854 PolarHBondContact O-N 3.33Å
754T80.5Confident79.6Confident77 Ų7772.1 Ų72.147%0.47238%0.376SS..EExtended strand (participates in β ladder)trans-72.6132.2172.1-51.70000109.4F765T754-F765 HydrophobicContact CG2-CE1 3.85Å
755V73.3Confident79.2Confident23 Ų2369.7 Ų69.714%0.13936%0.363CS..  trans-88.6137.5176.9-176.80000107.7T757 E852 V854V755-T757 WeakPolarHBondContact O-CG2 3.47Å; V755-T757 PolarHBondContact O-N 3.05Å; V755-E852 HydrophobicContact CB-CB 3.9Å; V755-E852 HydrophobicContact CG2-CB 4.32Å; V755-E852 PolarHBondContact N-O 3.37Å; V755-V854 HydrophobicContact CG2-CG2 4.21Å
756N59.7Low79Confident166 Ų16670 Ų7089%0.88836%0.364SS*.  trans-50.799.9-166.1-158.418.6000113.4
757T60.6Low78.8Confident32 Ų3268.7 Ų68.720%0.19636%0.364CS..  trans-86.5131176.353.30000109V755 D759 L851V755-T757 WeakPolarHBondContact O-CG2 3.47Å; V755-T757 PolarHBondContact O-N 3.05Å; T757-D759 PolarHBondContact O-N 2.83Å; T757-D759 PolarHBondContact OG1-O 3.21Å; T757-L851 HydrophobicContact CG2-CD2 3.59Å
758K61.8Low78.8Confident214 Ų21470.8 Ų70.893%0.9337%0.367SS*.SBendtrans-61.7-21.6173.9-70.9-179.3-179.3173.20112.1
759D68.6Low78.6Confident44 Ų4475 Ų7524%0.23539%0.39CS..SBendtrans-89139.6-178.7-66.7-68.5000112.5T757 V761 L795 K849T757-D759 PolarHBondContact O-N 2.83Å; T757-D759 PolarHBondContact OG1-O 3.21Å; D759-V761 PolarHBondContact O-N 3.16Å; D759-L795 HydrophobicContact CB-CD2 4.44Å; D759-K849 HydrophobicContact CB-CD 4.47Å; D759-K849 WeakPolarHBondContact OD1-CD 3.46Å; D759-K849 VanDerWaalsContact OD1-CE 3.24Å; D759-K849 WeakPolarHBondContact OD1-CE 3.31Å; D759-K849 IonicContact OD1-NZ 3.43Å; D759-K849 PolarHBondContact OD1-NZ 3.32Å
760K71.3Confident78.5Confident134 Ų13472.2 Ų72.258%0.58338%0.377SS*.  trans-70.2109.2172.8-170176.4-179.5-177.30108.9F762K760-F762 HydrophobicContact CD-CE1 3.99Å; K760-F762 HydrophobicContact CD-CE2 4.36Å; K760-F762 HydrophobicContact CD-CZ 3.71Å; K760-F762 HydrophobicContact CG-CE1 4.35Å; K760-F762 HydrophobicContact CG-CE2 4.3Å; K760-F762 HydrophobicContact CG-CZ 4.09Å
761V73.8Confident78.3Confident37 Ų3777.6 Ų77.622%0.22440%0.402CS..BIsolated β-bridgetrans-91.7128.6172.8-174.60000108.7D759 F765 L795 L851D759-V761 PolarHBondContact O-N 3.16Å; V761-F765 HydrophobicContact CG1-CB 4.33Å; V761-L795 HydrophobicContact CG2-CD2 3.91Å; V761-L851 HydrophobicContact CG2-CD2 3.46Å; V761-L851 VanDerWaalsContact CG2-CD2 3.46Å
762F70.6Confident78Confident12 Ų1280.6 Ų80.65%0.05341%0.411CS..  trans-94.3113178.4-65.7-83000110K760 K794 D796 E998K760-F762 HydrophobicContact CD-CE1 3.99Å; K760-F762 HydrophobicContact CD-CE2 4.36Å; K760-F762 HydrophobicContact CD-CZ 3.71Å; K760-F762 HydrophobicContact CG-CE1 4.35Å; K760-F762 HydrophobicContact CG-CE2 4.3Å; K760-F762 HydrophobicContact CG-CZ 4.09Å; F762-K794 HydrophobicContact CB-CD 3.88Å; F762-K794 HydrophobicContact CB-CG 4.07Å; F762-K794 PolarHBondContact N-O 2.92Å; F762-K794 WeakPolarHBondContact O-CD 3.25Å; F762-D796 HydrophobicContact CE2-CB 3.89Å; F762-E998 VanDerWaalsContact CD1-CD 3.45Å; F762-E998 HydrophobicContact CD1-CG 4.45Å; F762-E998 WeakPolarHBondContact CD1-OE1 3.29Å; F762-E998 HydrophobicContact CE1-CG 4.45Å; F762-E998 VanDerWaalsContact CE1-OE1 3.27Å; F762-E998 WeakPolarHBondContact CE1-OE1 3.5Å
763G70.4Confident77.8Confident51 Ų5178.2 Ų78.253%0.52639%0.394SS..SBendtrans81-170-17700000114.6
764K73.2Confident78Confident190 Ų19076 Ų7683%0.82639%0.39SS*.  trans-88.3120.6176.9-66-177.6-178.9178.50110.1
765F84.5Confident78.4Confident7 Ų780 Ų803%0.03140%0.402CS..SBendtrans-81.7-16.7179.185.6-88.3000114T754 V761 I791 K792 L851 A853 V879T754-F765 HydrophobicContact CG2-CE1 3.85Å; V761-F765 HydrophobicContact CG1-CB 4.33Å; F765-I791 HydrophobicContact CD2-CG2 4.38Å; F765-I791 CarbonylContact O-C 3.43Å; F765-I791 WeakPolarHBondContact O-CA 3.46Å; F765-K792 VanDerWaalsContact CA-O 3.23Å; F765-K792 WeakPolarHBondContact CA-O 3.38Å; F765-K792 VanDerWaalsContact CB-O 3.28Å; F765-K792 WeakPolarHBondContact CB-O 3.27Å; F765-K792 PolarHBondContact O-N 3.32Å; F765-L851 HydrophobicContact CD2-CD1 4.46Å; F765-L851 HydrophobicContact CE2-CB 4.36Å; F765-L851 HydrophobicContact CG-CD1 4.39Å; F765-L851 HydrophobicContact CZ-CB 4.38Å; F765-A853 HydrophobicContact CE1-CB 3.84Å; F765-A853 HydrophobicContact CE2-CB 4.33Å; F765-A853 HydrophobicContact CZ-CB 3.35Å; F765-V879 HydrophobicContact CE2-CG2 4.19Å
766L89Confident79.1Confident7 Ų782.8 Ų82.84%0.03741%0.414CS..EExtended strand (participates in β ladder)trans-113.8133.3169.7-61.1-177.8000110W768 I789 I791 A853 L855 V877L766-W768 HydrophobicContact CB-CE3 4.41Å; L766-W768 HydrophobicContact CB-CZ3 4.1Å; L766-I789 HydrophobicContact CB-CG2 4.47Å; L766-I789 HydrophobicContact CD2-CG2 4.15Å; L766-I791 HydrophobicContact CD2-CB 4.31Å; L766-I791 HydrophobicContact CD2-CG1 3.77Å; L766-I791 HydrophobicContact CD2-CG2 4.27Å; L766-A853 HydrophobicContact CD1-CB 3.56Å; L766-L855 HydrophobicContact CD1-CD2 4.04Å; L766-L855 HydrophobicContact CD1-CG 4.35Å; L766-V877 HydrophobicContact CD2-CG1 4.37Å
767S88.7Confident80.5Confident55 Ų5576.5 Ų76.539%0.38538%0.38SS..EExtended strand (participates in β ladder)trans-141144.717553.10000110.1S790S767-S790 PolarHBondContact N-O 2.9Å; S767-S790 PolarHBondContact O-N 2.81Å; S767-S790 WeakPolarHBondContact OG-CB 3.48Å; S767-S790 PolarHBondContact OG-O 3.04Å
768W91.9Very high81.9Confident79 Ų7978.3 Ų78.330%0.29939%0.393SS..EExtended strand (participates in β ladder)trans-154.8160.9-178.261.787.5000110.6L750 S752 L766 I789 L855L750-W768 HydrophobicContact CD2-CD2 4.01Å; L750-W768 HydrophobicContact CD2-CG 3.82Å; L750-W768 HydrophobicContact CG-CD2 4.42Å; L750-W768 HydrophobicContact CG-CZ2 4.24Å; S752-W768 VanDerWaalsContact OG-CH2 3.24Å; S752-W768 WeakPolarHBondContact OG-CH2 3.35Å; L766-W768 HydrophobicContact CB-CE3 4.41Å; L766-W768 HydrophobicContact CB-CZ3 4.1Å; W768-I789 HydrophobicContact CB-CD1 3.45Å; W768-I789 VanDerWaalsContact CB-CD1 3.45Å; W768-I789 HydrophobicContact CD2-CD1 4.4Å; W768-I789 HydrophobicContact CG-CD1 3.95Å; W768-L855 HydrophobicContact CE3-CD2 4.41Å; W768-L855 HydrophobicContact CZ3-CD2 4.19Å
769D88.6Confident83.4Confident100 Ų10068.3 Ų68.354%0.53535%0.349SS..  trans-117.3126.9166.7-177.13.1000108.1E771D769-E771 WeakPolarHBondContact OD1-CB 3.29Å; D769-E771 PolarHBondContact OD1-N 2.93Å
770I88.3Confident84.5Confident36 Ų3671.8 Ų71.819%0.18536%0.362CS..  trans-105.8-10-178.8-154.6-169.9000112.1L750 E772 A773 V774 L787L750-I770 HydrophobicContact CB-CD1 3.62Å; L750-I770 HydrophobicContact CB-CG1 4.38Å; I770-E772 VanDerWaalsContact C-N 3.32Å; I770-E772 PolarHBondContact O-N 3.25Å; I770-A773 HydrophobicContact CG1-CB 4.41Å; I770-A773 PolarHBondContact O-N 3.16Å; I770-V774 HydrophobicContact CD1-CG2 4.18Å; I770-V774 HydrophobicContact CG1-CG2 4.16Å; I770-V774 HydrophobicContact CG2-CG2 4.28Å; I770-V774 WeakPolarHBondContact O-CG2 3.47Å; I770-V774 PolarHBondContact O-N 3.37Å; I770-L787 HydrophobicContact CB-CD2 4.45Å; I770-L787 HydrophobicContact CG1-CD2 3.88Å
771E87.8Confident85.5Confident131 Ų13168.4 Ų68.461%0.61235%0.354SS*.Hα-helixtrans-60-43.1-171.5-67-175.6178.800111.6D769 A773 V774 H775D769-E771 WeakPolarHBondContact OD1-CB 3.29Å; D769-E771 PolarHBondContact OD1-N 2.93Å; E771-A773 VanDerWaalsContact C-N 3.29Å; E771-A773 PolarHBondContact O-N 2.79Å; E771-V774 PolarHBondContact O-N 2.7Å; E771-H775 PolarHBondContact O-CD2 3.3Å; E771-H775 PolarHBondContact O-N 3.48Å
772E83.1Confident86.3Confident139 Ų13969.2 Ų69.265%0.6537%0.37SS*.Hα-helixtrans-60.2-37.3176.9-171.1176.5-169.700112.6I770 Q776I770-E772 VanDerWaalsContact C-N 3.32Å; I770-E772 PolarHBondContact O-N 3.25Å; E772-Q776 WeakPolarHBondContact O-CG 3.29Å; E772-Q776 PolarHBondContact O-NE2 3.43Å
773A83.9Confident87.3Confident1 Ų172.8 Ų72.81%0.00839%0.387CS..Hα-helixtrans-75.2-36.317800000112.5I770 E771 H775 Q776 V785 L787I770-A773 HydrophobicContact CG1-CB 4.41Å; I770-A773 PolarHBondContact O-N 3.16Å; E771-A773 VanDerWaalsContact C-N 3.29Å; E771-A773 PolarHBondContact O-N 2.79Å; A773-H775 VanDerWaalsContact C-N 3.33Å; A773-Q776 PolarHBondContact O-N 3.03Å; A773-V785 HydrophobicContact CB-CG2 3.48Å; A773-V785 VanDerWaalsContact CB-CG2 3.48Å; A773-L787 HydrophobicContact CB-CD2 3.4Å; A773-L787 HydrophobicContact CB-CG 3.98Å
774V88.8Confident88.4Confident61 Ų6173.9 Ų73.937%0.3738%0.383SS..Hα-helixtrans-67.7-34.9175.6173.50000111I770 E771 Q776 L777I770-V774 HydrophobicContact CD1-CG2 4.18Å; I770-V774 HydrophobicContact CG1-CG2 4.16Å; I770-V774 HydrophobicContact CG2-CG2 4.28Å; I770-V774 WeakPolarHBondContact O-CG2 3.47Å; I770-V774 PolarHBondContact O-N 3.37Å; E771-V774 PolarHBondContact O-N 2.7Å; V774-Q776 PolarHBondContact O-N 3.32Å; V774-L777 HydrophobicContact CG1-CD1 4.33Å; V774-L777 WeakPolarHBondContact O-CB 3.29Å; V774-L777 WeakPolarHBondContact O-CG 3.47Å; V774-L777 PolarHBondContact O-N 3.4Å; V774-L777 VanDerWaalsContact O-N 3.14Å
775H88.5Confident89.3Confident160 Ų16064.9 Ų64.974%0.74134%0.344SS*.THydrogen-bonded Turntrans-64.5-19.9175-81.7-57.2000114.4E771 A773 L777E771-H775 PolarHBondContact O-CD2 3.3Å; E771-H775 PolarHBondContact O-N 3.48Å; A773-H775 VanDerWaalsContact C-N 3.33Å; H775-L777 VanDerWaalsContact C-N 3.31Å
776Q87.5Confident89.7Confident83 Ų8368.2 Ų68.239%0.38837%0.365SS..THydrogen-bonded Turntrans-86.5-0.8176.9-65.5176.240.700113.1E772 A773 V774 V785E772-Q776 WeakPolarHBondContact O-CG 3.29Å; E772-Q776 PolarHBondContact O-NE2 3.43Å; A773-Q776 PolarHBondContact O-N 3.03Å; V774-Q776 PolarHBondContact O-N 3.32Å; Q776-V785 HydrophobicContact CB-CG2 4.44Å
777L89.8Confident89.8Confident34 Ų3468 Ų6818%0.17836%0.364CS..  trans-80.2144.7175.8-58175.1000111.3I745 L748 V774 H775 L779I745-L777 HydrophobicContact CG2-CD2 4.11Å; I745-L777 WeakPolarHBondContact O-CD2 3.19Å; L748-L777 HydrophobicContact CB-CD1 3.99Å; L748-L777 HydrophobicContact CB-CD2 4.48Å; V774-L777 HydrophobicContact CG1-CD1 4.33Å; V774-L777 WeakPolarHBondContact O-CB 3.29Å; V774-L777 WeakPolarHBondContact O-CG 3.47Å; V774-L777 PolarHBondContact O-N 3.4Å; V774-L777 VanDerWaalsContact O-N 3.14Å; H775-L777 VanDerWaalsContact C-N 3.31Å; L777-L779 HydrophobicContact CD2-CB 4.21Å; L777-L779 HydrophobicContact CD2-CD1 3.76Å; L777-L779 HydrophobicContact CD2-CG 4.15Å
778P91.1Very high89.9Confident70 Ų7068.5 Ų68.546%0.45537%0.365SS..SBendcis-78.8133.5330.2-33.6000113.8D744 I745 E746 K780D744-P778 HydrophobicContact CB-CB 4.22Å; I745-P778 CarbonylContact O-C 3.48Å; I745-P778 WeakPolarHBondContact O-CA 3.26Å; E746-P778 HydrophobicContact CG-CB 4.25Å; P778-K780 PolarHBondContact O-N 3.05Å
779L92.1Very high90Very high4 Ų464.8 Ų64.82%0.02135%0.351CS..BIsolated β-bridgetrans-80.8112.6176.7-98.3157.1000110N739 D744 I745 L777 Q783 V785N739-L779 PolarHBondContact ND2-O 2.82Å; D744-L779 WeakPolarHBondContact CA-O 3.26Å; I745-L779 HydrophobicContact CB-CB 4.01Å; I745-L779 PolarHBondContact N-O 3.33Å; I745-L779 PolarHBondContact O-N 2.97Å; L777-L779 HydrophobicContact CD2-CB 4.21Å; L777-L779 HydrophobicContact CD2-CD1 3.76Å; L777-L779 HydrophobicContact CD2-CG 4.15Å; L779-Q783 HydrophobicContact CD2-CB 3.61Å; L779-V785 HydrophobicContact CD1-CB 3.93Å; L779-V785 HydrophobicContact CD1-CG1 3.54Å; L779-V785 HydrophobicContact CD2-CB 4.43Å
780K92.4Very high90.1Very high116 Ų11660.4 Ų60.450%0.50433%0.328SS..  trans-76160.7180-62.7-176.4178.2-178.80112.4P778 G782 Q783P778-K780 PolarHBondContact O-N 3.05Å; K780-G782 PolarHBondContact O-N 3.22Å; K780-Q783 HydrophobicContact CB-CG 4.12Å; K780-Q783 WeakPolarHBondContact O-CB 3.39Å; K780-Q783 PolarHBondContact O-N 3.05Å
781P91.4Very high90.2Very high63 Ų6358.7 Ų58.741%0.40932%0.32SS..THydrogen-bonded Turntrans-48.3128.2172-32.237.5000113G741 D744 Q783G741-P781 VanDerWaalsContact O-CB 3.3Å; G741-P781 WeakPolarHBondContact O-CB 3.27Å; G741-P781 WeakPolarHBondContact O-CG 3.42Å; D744-P781 VanDerWaalsContact OD1-CD 3.28Å; D744-P781 WeakPolarHBondContact OD1-CD 3.41Å; P781-Q783 VanDerWaalsContact C-N 3.32Å; P781-Q783 PolarHBondContact O-N 3.01Å
782G90.1Very high90.3Very high54 Ų5455.9 Ų55.956%0.55731%0.305SS*.THydrogen-bonded Turntrans80.3-0.7-178.300000115.7N739 K780N739-G782 PolarHBondContact O-N 3.38Å; K780-G782 PolarHBondContact O-N 3.22Å
783Q92.4Very high90.5Very high88 Ų8849.2 Ų49.241%0.41127%0.274SS..  trans-86.2153174.4-65.5-173.9-31.800111.9N739 L779 K780 P781N739-Q783 PolarHBondContact N-O 3.02Å; L779-Q783 HydrophobicContact CD2-CB 3.61Å; K780-Q783 HydrophobicContact CB-CG 4.12Å; K780-Q783 WeakPolarHBondContact O-CB 3.39Å; K780-Q783 PolarHBondContact O-N 3.05Å; P781-Q783 VanDerWaalsContact C-N 3.32Å; P781-Q783 PolarHBondContact O-N 3.01Å
784T93.1Very high90.5Very high73 Ų7350.6 Ų50.645%0.44828%0.28SS..EExtended strand (participates in β ladder)trans-123.7150.7-179.358.60000111.9T736 L737 E738T736-T784 HydrophobicContact CG2-CG2 4.38Å; L737-T784 CarbonylContact O-C 3.57Å; L737-T784 VanDerWaalsContact O-CA 3.24Å; L737-T784 WeakPolarHBondContact O-CA 3.5Å; E738-T784 HydrophobicContact CB-CG2 3.75Å; E738-T784 HydrophobicContact CG-CG2 3.72Å
785V93.3Very high90.4Very high2 Ų247.9 Ų47.91%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-130.3143.317066.40000110T736 L737 A773 Q776 L779T736-V785 WeakPolarHBondContact CA-O 3.49Å; L737-V785 HydrophobicContact CB-CG1 3.8Å; L737-V785 HydrophobicContact CD1-CG1 4.24Å; L737-V785 HydrophobicContact CG-CG1 4.47Å; L737-V785 PolarHBondContact N-O 3.3Å; L737-V785 PolarHBondContact O-N 3.1Å; A773-V785 HydrophobicContact CB-CG2 3.48Å; A773-V785 VanDerWaalsContact CB-CG2 3.48Å; Q776-V785 HydrophobicContact CB-CG2 4.44Å; L779-V785 HydrophobicContact CD1-CB 3.93Å; L779-V785 HydrophobicContact CD1-CG1 3.54Å; L779-V785 HydrophobicContact CD2-CB 4.43Å
786T91.3Very high90.2Very high76 Ų7642.3 Ų42.347%0.46624%0.239SC..EExtended strand (participates in β ladder)trans-112135.7-179.852.60000111.6I735 T736I735-T786 CarbonylContact O-C 3.6Å; I735-T786 WeakPolarHBondContact O-CA 3.37Å; T736-T786 HydrophobicContact CG2-CG2 4.08Å
787L91.8Very high90.1Very high4 Ų438.4 Ų38.42%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-122.5134.3177.7-72.7161.5000109.4T734 I735 L737 I770 A773 F857T734-L787 CarbonylContact C-O 3.57Å; T734-L787 WeakPolarHBondContact CA-O 3.43Å; I735-L787 HydrophobicContact CB-CB 4.39Å; I735-L787 PolarHBondContact N-O 3.36Å; I735-L787 PolarHBondContact O-N 3.39Å; L737-L787 HydrophobicContact CD1-CD1 3.61Å; L737-L787 HydrophobicContact CG-CD1 4.45Å; I770-L787 HydrophobicContact CB-CD2 4.45Å; I770-L787 HydrophobicContact CG1-CD2 3.88Å; A773-L787 HydrophobicContact CB-CD2 3.4Å; A773-L787 HydrophobicContact CB-CG 3.98Å; L787-F857 HydrophobicContact CD1-CD1 4.45Å; L787-F857 HydrophobicContact CD1-CE1 3.8Å
788T91.6Very high89.7Confident65 Ų6538.4 Ų38.440%0.39922%0.223SC..EExtended strand (participates in β ladder)trans-106.4114.9176.4-57.10000110.3Q732Q732-T788 HydrophobicContact CB-CG2 4.13Å; Q732-T788 HydrophobicContact CG-CG2 4.28Å
789I92.4Very high88.5Confident0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-96.7124174.7-46.8-58000108.8L733 I735 L750 L766 W768 L855L733-I789 HydrophobicContact CB-CB 4.25Å; L733-I789 HydrophobicContact CD2-CB 4.4Å; L733-I789 HydrophobicContact CG-CB 4.42Å; L733-I789 PolarHBondContact N-O 2.81Å; L733-I789 PolarHBondContact O-N 3.45Å; I735-I789 HydrophobicContact CD1-CD1 4.2Å; I735-I789 HydrophobicContact CD1-CG1 3.53Å; I735-I789 HydrophobicContact CG1-CG1 4.16Å; L750-I789 HydrophobicContact CD2-CD1 3.84Å; L766-I789 HydrophobicContact CB-CG2 4.47Å; L766-I789 HydrophobicContact CD2-CG2 4.15Å; W768-I789 HydrophobicContact CB-CD1 3.45Å; W768-I789 VanDerWaalsContact CB-CD1 3.45Å; W768-I789 HydrophobicContact CD2-CD1 4.4Å; W768-I789 HydrophobicContact CG-CD1 3.95Å; I789-L855 HydrophobicContact CD1-CD1 4.37Å; I789-L855 HydrophobicContact CG1-CD1 4Å; I789-L855 HydrophobicContact CG2-CD1 4.41Å
790S91.1Very high86.8Confident9 Ų942.3 Ų42.36%0.06324%0.241CC..EExtended strand (participates in β ladder)trans-94.5114.2175172.40000110.2R730 S767R730-S790 VanDerWaalsContact CZ-OG 3.3Å; R730-S790 PolarHBondContact NE-OG 2.82Å; R730-S790 PolarHBondContact NH2-OG 3.47Å; S767-S790 PolarHBondContact N-O 2.9Å; S767-S790 PolarHBondContact O-N 2.81Å; S767-S790 WeakPolarHBondContact OG-CB 3.48Å; S767-S790 PolarHBondContact OG-O 3.04Å
791I91.4Very high84.7Confident0 Ų045.2 Ų45.20%026%0.256CS..EExtended strand (participates in β ladder)trans-92.3116.1175.4-49.8177000107.8L702 V723 L725 R730 Q731 L733 F765 L766 V877 V879L702-I791 HydrophobicContact CD1-CD1 4.22Å; V723-I791 HydrophobicContact CG1-CD1 4.14Å; L725-I791 HydrophobicContact CD1-CB 4.47Å; L725-I791 HydrophobicContact CD1-CG2 3.83Å; R730-I791 CarbonylContact C-O 3.59Å; R730-I791 WeakPolarHBondContact CA-O 3.48Å; Q731-I791 PolarHBondContact N-O 3.13Å; Q731-I791 WeakPolarHBondContact O-CB 3.34Å; Q731-I791 PolarHBondContact O-N 2.82Å; L733-I791 HydrophobicContact CB-CD1 4.11Å; F765-I791 HydrophobicContact CD2-CG2 4.38Å; F765-I791 CarbonylContact O-C 3.43Å; F765-I791 WeakPolarHBondContact O-CA 3.46Å; L766-I791 HydrophobicContact CD2-CB 4.31Å; L766-I791 HydrophobicContact CD2-CG1 3.77Å; L766-I791 HydrophobicContact CD2-CG2 4.27Å; I791-V877 HydrophobicContact CD1-CG1 4.13Å; I791-V879 HydrophobicContact CG2-CG2 3.88Å
792K88.5Confident82.5Confident71 Ų7148.4 Ų48.431%0.30927%0.27SS..EExtended strand (participates in β ladder)trans-124.8116.8176-176.7178.1-179.1176.20109.4R730 F765 E994R730-K792 HydrophobicContact CG-CB 4.47Å; F765-K792 VanDerWaalsContact CA-O 3.23Å; F765-K792 WeakPolarHBondContact CA-O 3.38Å; F765-K792 VanDerWaalsContact CB-O 3.28Å; F765-K792 WeakPolarHBondContact CB-O 3.27Å; F765-K792 PolarHBondContact O-N 3.32Å; K792-E994 IonicContact NZ-OE2 3.23Å; K792-E994 PolarHBondContact NZ-OE2 3.36Å
793V87.3Confident80.6Confident0 Ų049.7 Ų49.70%026%0.264CS..  trans-89.3125.5179.8-178.60000109.5L725 G728 E729 L795 L851 V879 V881L725-V793 HydrophobicContact CB-CG2 4.01Å; L725-V793 HydrophobicContact CD1-CG2 3.71Å; L725-V793 HydrophobicContact CG-CG2 4.49Å; G728-V793 WeakPolarHBondContact CA-O 3.32Å; G728-V793 PolarHBondContact N-O 3.31Å; E729-V793 PolarHBondContact O-N 3.43Å; E729-V793 VanDerWaalsContact O-N 3.12Å; V793-L795 HydrophobicContact CG1-CG 4.09Å; V793-L851 HydrophobicContact CG1-CD1 4.18Å; V793-V879 HydrophobicContact CG2-CG1 3.8Å; V793-V881 HydrophobicContact CB-CG2 4.49Å; V793-V881 HydrophobicContact CG1-CB 4.15Å; V793-V881 HydrophobicContact CG1-CG1 3.49Å; V793-V881 VanDerWaalsContact CG1-CG1 3.49Å; V793-V881 HydrophobicContact CG1-CG2 3.52Å; V793-V881 HydrophobicContact CG2-CG2 4.12Å
794K85.2Confident78.6Confident29 Ų2948.3 Ų48.313%0.12626%0.259CS..  trans-141.279.8175.5-167.4-172.8175.4-159.90109.5F762 S996 E998F762-K794 HydrophobicContact CB-CD 3.88Å; F762-K794 HydrophobicContact CB-CG 4.07Å; F762-K794 PolarHBondContact N-O 2.92Å; F762-K794 WeakPolarHBondContact O-CD 3.25Å; K794-S996 WeakPolarHBondContact CE-OG 3.47Å; K794-S996 PolarHBondContact NZ-OG 3.39Å; K794-E998 IonicContact NZ-OE2 2.87Å; K794-E998 PolarHBondContact NZ-OE2 3.14Å
795L86.5Confident76.4Confident4 Ų452.7 Ų52.72%0.02127%0.274CS..BIsolated β-bridgetrans-87.8172.6171.6-58.3-173.7000110.6N727 D759 V761 V793 F797 K849 L851 V881N727-L795 PolarHBondContact ND2-O 3.19Å; N727-L795 PolarHBondContact OD1-N 3.01Å; D759-L795 HydrophobicContact CB-CD2 4.44Å; V761-L795 HydrophobicContact CG2-CD2 3.91Å; V793-L795 HydrophobicContact CG1-CG 4.09Å; L795-F797 WeakPolarHBondContact O-CD2 3.47Å; L795-F797 WeakPolarHBondContact O-CE2 3.41Å; L795-F797 PolarHBondContact O-N 3.28Å; L795-K849 HydrophobicContact CD1-CB 3.86Å; L795-K849 HydrophobicContact CD1-CD 3.64Å; L795-K849 HydrophobicContact CD1-CG 4.38Å; L795-L851 HydrophobicContact CD2-CD1 4.07Å; L795-L851 HydrophobicContact CD2-CD2 3.96Å; L795-L851 HydrophobicContact CD2-CG 4.34Å; L795-V881 HydrophobicContact CD1-CB 3.84Å; L795-V881 HydrophobicContact CD1-CG1 3.52Å; L795-V881 HydrophobicContact CD1-CG2 4.13Å; L795-V881 HydrophobicContact CG-CG1 4.19Å
796D83.9Confident74Confident44 Ų4460 Ų6024%0.23531%0.313CS..  trans-60.9127.2173-164.5-0.8000111.9F762 S798 G999F762-D796 HydrophobicContact CE2-CB 3.89Å; D796-S798 WeakPolarHBondContact OD1-CB 3.21Å; D796-S798 PolarHBondContact OD1-N 2.98Å; D796-S798 PolarHBondContact OD1-OG 3.28Å; D796-S798 VanDerWaalsContact OD1-OG 3.12Å; D796-S798 PolarHBondContact OD2-OG 3.48Å; D796-G999 WeakPolarHBondContact OD1-CA 3.22Å
797F85.8Confident71.7Confident1 Ų161.9 Ų61.90%0.00432%0.32CS..  trans-951.2175.3-68.8-97.4000112N727 L795 S884 V885 F886 F887 E994 A995 S996N727-F797 HydrophobicContact CB-CE1 4.19Å; N727-F797 HydrophobicContact CB-CZ 4.2Å; N727-F797 VanDerWaalsContact CG-CZ 3.5Å; N727-F797 WeakPolarHBondContact ND2-CZ 3.46Å; L795-F797 WeakPolarHBondContact O-CD2 3.47Å; L795-F797 WeakPolarHBondContact O-CE2 3.41Å; L795-F797 PolarHBondContact O-N 3.28Å; F797-S884 WeakPolarHBondContact CE1-OG 3.4Å; F797-V885 HydrophobicContact CD1-CG2 3.62Å; F797-V885 WeakPolarHBondContact CD1-O 3.34Å; F797-V885 HydrophobicContact CE1-CG2 3.88Å; F797-F886 CarbonylContact O-C 3.56Å; F797-F886 WeakPolarHBondContact O-CA 3.4Å; F797-F887 HydrophobicContact CB-CD2 3.63Å; F797-F887 HydrophobicContact CB-CE2 3.8Å; F797-F887 HydrophobicContact CG-CE2 4.35Å; F797-F887 PolarHBondContact O-N 2.92Å; F797-E994 VanDerWaalsContact CZ-O 3.3Å; F797-E994 WeakPolarHBondContact CZ-O 3.38Å; F797-A995 HydrophobicContact CD1-CB 4.31Å; F797-A995 HydrophobicContact CE1-CB 4.13Å; F797-S996 WeakPolarHBondContact CB-O 3.45Å; F797-S996 VanDerWaalsContact CD2-N 3.35Å; F797-S996 WeakPolarHBondContact CD2-O 3.4Å; F797-S996 VanDerWaalsContact CE2-N 3.34Å
798S80.4Confident69.2Low33 Ų3369 Ų6923%0.23136%0.358CS..BIsolated β-bridgetrans-67.8133.7175.174.40000111.2D796D796-S798 WeakPolarHBondContact OD1-CB 3.21Å; D796-S798 PolarHBondContact OD1-N 2.98Å; D796-S798 PolarHBondContact OD1-OG 3.28Å; D796-S798 VanDerWaalsContact OD1-OG 3.12Å; D796-S798 PolarHBondContact OD2-OG 3.48Å
799G67.1Low66.7Low20 Ų2073.1 Ų73.121%0.20638%0.377CS..PPolyproline II helixtrans-74.1126.7173.500000110.6F887G799-F887 PolarHBondContact N-O 3.1Å
800Q56.8Low63.8Low137 Ų13781 Ų8164%0.6442%0.42SS*.PPolyproline II helixtrans-68.5136.1170.2-71.8-168.9-18.500110.2N802 L803Q800-N802 PolarHBondContact O-N 3.41Å; Q800-L803 PolarHBondContact O-N 3.13Å
801E46.6Very low61.1Low176 Ų17684.1 Ų84.182%0.82245%0.453SS*.G310 helixtrans-52.7-23-177.6-69.4-177.5157.500114.3L803 L804E801-L803 VanDerWaalsContact C-N 3.3Å; E801-L803 PolarHBondContact O-N 3.38Å; E801-L804 PolarHBondContact O-N 3.31Å
802N46Very low58.2Low131 Ų13191.8 Ų91.870%0.70149%0.493SS*.G310 helixtrans-72.5-15.1179.6-67-21.5000114.5Q800 L804Q800-N802 PolarHBondContact O-N 3.41Å; N802-L804 VanDerWaalsContact C-N 3.28Å
803L50.4Low55.4Low81 Ų8194 Ų9442%0.42452%0.517SS..G310 helixtrans-76.8-14.7176.8-78.5161000113.1Q800 E801 F886Q800-L803 PolarHBondContact O-N 3.13Å; E801-L803 VanDerWaalsContact C-N 3.3Å; E801-L803 PolarHBondContact O-N 3.38Å; L803-F886 HydrophobicContact CD1-CE2 4.34Å
804L51Low52.6Low59 Ų5999.6 Ų99.631%0.30955%0.551SS.*G310 helixtrans-107.38.5-167.6-63173000114.1E801 N802 D806 L807 T888E801-L804 PolarHBondContact O-N 3.31Å; N802-L804 VanDerWaalsContact C-N 3.28Å; L804-D806 PolarHBondContact O-N 3.25Å; L804-L807 HydrophobicContact CD2-CD1 3.73Å; L804-L807 PolarHBondContact O-N 2.91Å; L804-T888 HydrophobicContact CD2-CG2 4.21Å
805Q45.7Very low50Low164 Ų164104.7 Ų104.777%0.76659%0.585SS**THydrogen-bonded Turntrans-63.6-21.8-179.6-113.3170.818.400113.3
806D43Very low47.2Very low157 Ų157107.9 Ų107.984%0.8462%0.618SS**THydrogen-bonded Turntrans-97.2-1.2-178.5-69.8-24.1000114.7L804L804-D806 PolarHBondContact O-N 3.25Å
807L44.2Very low44.5Very low114 Ų114114.1 Ų114.160%0.59765%0.651SS**SBendtrans-102.61.7179-71.7173.2000114.2L804L804-L807 HydrophobicContact CD2-CD1 3.73Å; L804-L807 PolarHBondContact O-N 2.91Å
808N39.4Very low42.2Very low155 Ų155119.4 Ų119.483%0.82969%0.685SS**  trans-93.916.7-176-104.9-6.7000114.9
809D38.2Very low39.7Very low150 Ų150126.1 Ų126.180%0.80272%0.717SS**  trans-11372.4177.9-14820.2000110.7
810D31.8Very low37.8Very low166 Ų166131.4 Ų131.489%0.88875%0.745SS**  trans-159.698.7149.7-96.5-28.8000109.4
811G34.9Very low36.3Very low75 Ų75130.4 Ų130.477%0.77375%0.753SS**  trans-81.3134.2-175.200000113.8
812I29.2Very low35.6Very low161 Ų161126.9 Ų126.983%0.82675%0.746SS**  trans-133.7107.8144.7-71.1160.3000107.3V814I812-V814 HydrophobicContact CG2-CG2 3.99Å
813S29.5Very low34.7Very low118 Ų118128.6 Ų128.683%0.82575%0.754SS**  trans-93129.316763.80000108.9
814V29.2Very low33.9Very low116 Ų116136.7 Ų136.770%0.70378%0.779SS**  trans-132.8104.2166.11790000107.2I812I812-V814 HydrophobicContact CG2-CG2 3.99Å
815T31.2Very low32.9Very low137 Ų137143 Ų14384%0.8481%0.807SS**  trans47.2129.515166.20000118.4
816G27.2Very low32.3Very low70 Ų70141.2 Ų141.272%0.72281%0.807SS**  cis158.8151.115.300000107.5
817L27.6Very low31.6Very low176 Ų176141.8 Ų141.892%0.92181%0.809SS**  trans88.9125174.6-61.5171.4000119.5
818P35.8Very low31Very low112 Ų112145.3 Ų145.373%0.72782%0.82SS**  trans-97.2141-179.837.4-30.3000111.8
819I28.9Very low30.6Very low173 Ų173144.1 Ų144.189%0.88782%0.82SS**  trans-130.9125.1156.3-60.6-179.7000108.6
820T26.8Very low30.2Very low131 Ų131148.5 Ų148.580%0.80483%0.825SS**  trans-72.7148.9-179.338.20000112.5
821S25.7Very low30.1Very low116 Ų116145 Ų14581%0.81182%0.819SS**  trans-140.3116.3152.2169.70000109
822P31.1Very low29.7Very low103 Ų103150.6 Ų150.667%0.66983%0.825SS**  trans-87165.6-179.635.7-31.6000111.1
823L28.4Very low29.7Very low167 Ų167148.7 Ų148.787%0.87482%0.821SS**  trans99.882.7168.9-55.2154.4000116.5
824R32.5Very low29.7Very low251 Ų251152 Ų15295%0.94782%0.821SS**  -160.6135105.6-112.9178.4-176.7175.52.5111.9
825Q30.1Very low29.6Very low191 Ų191151.2 Ų151.289%0.89383%0.827SS**  trans-68.2140.6-169.3-75164-46.700113.3L827Q825-L827 PolarHBondContact O-N 2.88Å
826V32.7Very low29.7Very low126 Ų126151.2 Ų151.276%0.76483%0.826SS**  trans-34.5123154.2177.50000112.7
827L29Very low29.7Very low169 Ų169153.3 Ų153.389%0.88583%0.83SS**  trans-137.6101.5148.2-86.1169.9000108.7Q825Q825-L827 PolarHBondContact O-N 2.88Å
828K31.8Very low29.9Very low189 Ų189150.2 Ų150.282%0.82282%0.823SS**PPolyproline II helixtrans-68.8137.5162.3-74.9-178.7173.5-1790109.3
829P31Very low29.4Very low129 Ų129154 Ų15484%0.83883%0.831SS**PPolyproline II helixtrans-87.8133.2150.7-9.728.1000110.1
830R28.6Very low29.7Very low243 Ų243152 Ų15292%0.91783%0.833SS**PPolyproline II helixtrans-76.7138.2-176.4-168.9177.4-175.5170.3-0.6110.2
831A29.9Very low29.7Very low92 Ų92148.6 Ų148.676%0.7682%0.823SS**PPolyproline II helixtrans-72.4136.3172.600000111.4
832E27.8Very low29.8Very low192 Ų192152.5 Ų152.590%0.89783%0.826SS**  trans-112.4108.8158.3-78-170.8164.600109.6
833T29.2Very low29.5Very low121 Ų121151.6 Ų151.674%0.74283%0.827SS**  trans-47.7149.4155.134.90000111.8
834K28.9Very low29.5Very low187 Ų187152.1 Ų152.181%0.81383%0.825SS**  cis-174.8149.822-122.6172.7-175.8-178.40107.7
835A26.7Very low29.7Very low101 Ų101149.7 Ų149.784%0.83582%0.817SS**  -166.3120.4118.300000108.9
836V34.3Very low30.2Very low136 Ų136145 Ų14582%0.82481%0.806SS**  trans-84.8123.8177.7172.10000107.9
837S26.4Very low31.6Very low115 Ų115144.7 Ų144.780%0.80480%0.795SS**  trans-118.6124.8149.759.10000108.1E839S837-E839 PolarHBondContact O-N 3.36Å
838S32Very low33.9Very low110 Ų110139.2 Ų139.277%0.76977%0.769SS**  trans-59.4120.6178.4490000112.7
839E25.6Very low36.4Very low191 Ų191133.7 Ų133.789%0.89375%0.745SS**  trans-135.4123.7142.5-77.1-163159.600109.2S837 G841S837-E839 PolarHBondContact O-N 3.36Å; E839-G841 PolarHBondContact O-N 2.97Å
840S35.2Very low39Very low132 Ų132130.6 Ų130.692%0.92372%0.724SS**  trans-67.210316647.80000109
841G26Very low41.7Very low59 Ų59119 Ų11961%0.60868%0.68SS**  trans-151.1117.716400000107.3E839 A843E839-G841 PolarHBondContact O-N 2.97Å; G841-A843 PolarHBondContact O-N 3.46Å
842K28Very low44.5Very low199 Ų199116.4 Ų116.487%0.86565%0.652SS**  trans-51.8115.2154.8-76.4179.5173.6-177.20104.8E844K842-E844 PolarHBondContact O-N 2.97Å
843A25.9Very low47.4Very low84 Ų84107.3 Ų107.369%0.69461%0.61SS**  trans-67.885.3167.800000106.2G841 Y845G841-A843 PolarHBondContact O-N 3.46Å; A843-Y845 PolarHBondContact O-N 3.33Å
844E29.1Very low50.2Low177 Ų177102 Ų10283%0.82758%0.577SS**  trans-57.1100.2155.2-79.4175.7172.900104.9K842 S846K842-E844 PolarHBondContact O-N 2.97Å; E844-S846 PolarHBondContact O-N 2.92Å
845Y35.6Very low53.2Low200 Ų20093.1 Ų93.178%0.78454%0.539SS*.  trans-58.3104.3166.6-89.9-94.8000106.2A843 H847A843-Y845 PolarHBondContact O-N 3.33Å; Y845-H847 PolarHBondContact O-N 2.93Å
846S40.8Very low56.2Low94 Ų9489.2 Ų89.266%0.65750%0.504SS*.  trans-63.6114.1171.268.70000107.3E844 V848E844-S846 PolarHBondContact O-N 2.92Å; S846-V848 PolarHBondContact O-N 3.45Å; S846-V848 VanDerWaalsContact O-N 3.1Å
847H63Low59Low118 Ų11882.7 Ų82.755%0.54647%0.465SS..  trans-66-6174-67.9-70.9000113Y845 P883Y845-H847 PolarHBondContact O-N 2.93Å; H847-P883 HydrophobicContact CB-CG 4.05Å
848V76.1Confident62.1Low54 Ų5480.3 Ų80.333%0.32744%0.438SS..  trans-76.7120.6177-170.20000110.2S846 D880 V881 E882S846-V848 PolarHBondContact O-N 3.45Å; S846-V848 VanDerWaalsContact O-N 3.1Å; V848-D880 HydrophobicContact CG1-CB 3.85Å; V848-V881 WeakPolarHBondContact CA-O 3.3Å; V848-E882 HydrophobicContact CG2-CG 4.07Å
849K84.6Confident65.1Low73 Ų7375.1 Ų75.132%0.31740%0.402SS..EExtended strand (participates in β ladder)trans-98.6153.1172.9-66.2178.6172.1-1590109.8D759 L795 V881D759-K849 HydrophobicContact CB-CD 4.47Å; D759-K849 WeakPolarHBondContact OD1-CD 3.46Å; D759-K849 VanDerWaalsContact OD1-CE 3.24Å; D759-K849 WeakPolarHBondContact OD1-CE 3.31Å; D759-K849 IonicContact OD1-NZ 3.43Å; D759-K849 PolarHBondContact OD1-NZ 3.32Å; L795-K849 HydrophobicContact CD1-CB 3.86Å; L795-K849 HydrophobicContact CD1-CD 3.64Å; L795-K849 HydrophobicContact CD1-CG 4.38Å; K849-V881 HydrophobicContact CB-CB 4.4Å; K849-V881 PolarHBondContact N-O 3.5Å; K849-V881 WeakPolarHBondContact O-CA 2.95Å; K849-V881 WeakPolarHBondContact O-CB 3.34Å; K849-V881 PolarHBondContact O-N 3.17Å
850T84.9Confident68.3Low65 Ų6566.2 Ų66.240%0.39936%0.36SS..EExtended strand (participates in β ladder)trans-115.7133.1-178.955.70000112V879 D880T850-V879 WeakPolarHBondContact CA-O 3.5Å; T850-D880 WeakPolarHBondContact CG2-OD1 3.26Å
851L86.8Confident71Confident0 Ų060 Ų600%032%0.316CS..EExtended strand (participates in β ladder)trans-113.7130.4170.4-62.4179.4000109.8T757 V761 F765 V793 L795 V879 V881T757-L851 HydrophobicContact CG2-CD2 3.59Å; V761-L851 HydrophobicContact CG2-CD2 3.46Å; V761-L851 VanDerWaalsContact CG2-CD2 3.46Å; F765-L851 HydrophobicContact CD2-CD1 4.46Å; F765-L851 HydrophobicContact CE2-CB 4.36Å; F765-L851 HydrophobicContact CG-CD1 4.39Å; F765-L851 HydrophobicContact CZ-CB 4.38Å; V793-L851 HydrophobicContact CG1-CD1 4.18Å; L795-L851 HydrophobicContact CD2-CD1 4.07Å; L795-L851 HydrophobicContact CD2-CD2 3.96Å; L795-L851 HydrophobicContact CD2-CG 4.34Å; L851-V879 HydrophobicContact CB-CB 4.21Å; L851-V879 PolarHBondContact N-O 3.36Å; L851-V879 PolarHBondContact O-N 3.48Å; L851-V881 HydrophobicContact CD1-CG2 3.98Å; L851-V881 HydrophobicContact CG-CG2 4.03Å
852E87.5Confident74Confident36 Ų3657.9 Ų57.917%0.16830%0.295CS..EExtended strand (participates in β ladder)trans-125.6134.7-179.5-71.5-174169.500111.1P709 V755 V877 H878P709-E852 VanDerWaalsContact CB-OE2 3.26Å; P709-E852 WeakPolarHBondContact CB-OE2 3.38Å; V755-E852 HydrophobicContact CB-CB 3.9Å; V755-E852 HydrophobicContact CG2-CB 4.32Å; V755-E852 PolarHBondContact N-O 3.37Å; E852-V877 WeakPolarHBondContact CA-O 3.38Å; E852-H878 IonicContact OE1-CD2 2.59Å; E852-H878 PolarHBondContact OE1-CD2 3.49Å; E852-H878 IonicContact OE1-NE2 3.56Å
853A88.4Confident76.9Confident2 Ų250.7 Ų50.72%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-142.3157.6167.800000111.6K753 F765 L766 V877K753-A853 CarbonylContact O-C 3.57Å; K753-A853 VanDerWaalsContact O-CA 3.32Å; K753-A853 WeakPolarHBondContact O-CA 3.23Å; F765-A853 HydrophobicContact CE1-CB 3.84Å; F765-A853 HydrophobicContact CE2-CB 4.33Å; F765-A853 HydrophobicContact CZ-CB 3.35Å; L766-A853 HydrophobicContact CD1-CB 3.56Å; A853-V877 PolarHBondContact N-O 3.2Å; A853-V877 PolarHBondContact O-N 3.33Å
854V89.5Confident79.9Confident9 Ų946.7 Ų46.76%0.05524%0.239CC..EExtended strand (participates in β ladder)trans-115.8124.8172.9-175.80000108.7L717 S752 K753 V755 N856 L875L717-V854 HydrophobicContact CD2-CB 4.38Å; L717-V854 HydrophobicContact CD2-CG1 3.59Å; L717-V854 HydrophobicContact CD2-CG2 3.85Å; S752-V854 CarbonylContact C-O 3.57Å; S752-V854 WeakPolarHBondContact CA-O 3.45Å; K753-V854 PolarHBondContact N-O 2.88Å; K753-V854 PolarHBondContact O-N 3.33Å; V755-V854 HydrophobicContact CG2-CG2 4.21Å; V854-N856 WeakPolarHBondContact CG1-OD1 3.47Å; V854-L875 WeakPolarHBondContact CA-O 3.2Å
855L90.8Very high82.7Confident0 Ų041.8 Ų41.80%022%0.215CC..EExtended strand (participates in β ladder)trans-91.6122.1170.1-67.9174.1000108.8I735 L750 T751 L766 W768 I789 F857 S874 L875 V877I735-L855 HydrophobicContact CD1-CD1 3.83Å; L750-L855 HydrophobicContact CD1-CB 4.11Å; L750-L855 HydrophobicContact CD1-CD2 4.23Å; T751-L855 CarbonylContact O-C 3.57Å; T751-L855 WeakPolarHBondContact O-CA 3.49Å; L766-L855 HydrophobicContact CD1-CD2 4.04Å; L766-L855 HydrophobicContact CD1-CG 4.35Å; W768-L855 HydrophobicContact CE3-CD2 4.41Å; W768-L855 HydrophobicContact CZ3-CD2 4.19Å; I789-L855 HydrophobicContact CD1-CD1 4.37Å; I789-L855 HydrophobicContact CG1-CD1 4Å; I789-L855 HydrophobicContact CG2-CD1 4.41Å; L855-F857 HydrophobicContact CB-CE2 4.02Å; L855-F857 HydrophobicContact CB-CZ 4.39Å; L855-S874 CarbonylContact O-C 3.51Å; L855-S874 WeakPolarHBondContact O-CA 3.33Å; L855-L875 HydrophobicContact CB-CB 4.3Å; L855-L875 HydrophobicContact CD1-CD2 4.21Å; L855-L875 PolarHBondContact N-O 3.04Å; L855-L875 PolarHBondContact O-N 3.18Å; L855-V877 HydrophobicContact CD1-CG2 3.92Å; L855-V877 HydrophobicContact CG-CG2 4.23Å
856N90.8Very high85.2Confident19 Ų1938.4 Ų38.410%0.10222%0.216CC..EExtended strand (participates in β ladder)trans-110.9121.3179.6-65.8-43.9000110.5L750 T751 V854 E872 S874L750-N856 WeakPolarHBondContact CA-O 3.47Å; T751-N856 PolarHBondContact N-O 3.18Å; T751-N856 PolarHBondContact O-N 3.03Å; V854-N856 WeakPolarHBondContact CG1-OD1 3.47Å; N856-E872 HydrophobicContact CB-CG 4.46Å; N856-E872 WeakPolarHBondContact CB-OE1 3.49Å; N856-S874 VanDerWaalsContact OD1-CB 3.32Å; N856-S874 WeakPolarHBondContact OD1-CB 3.35Å; N856-S874 PolarHBondContact OD1-OG 2.93Å
857F91.8Very high87.4Confident0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-101.2111.8177.3-59.5-92.3000108.9L698 I735 L737 L748 E749 L750 L787 L855 E872 L873 L875L698-F857 HydrophobicContact CD1-CD2 3.94Å; L698-F857 HydrophobicContact CD1-CE2 3.55Å; L698-F857 HydrophobicContact CD1-CZ 4.11Å; I735-F857 HydrophobicContact CD1-CZ 3.73Å; I735-F857 HydrophobicContact CG2-CZ 4.08Å; L737-F857 HydrophobicContact CD1-CD1 3.82Å; L737-F857 HydrophobicContact CD1-CE1 4.01Å; L737-F857 HydrophobicContact CD2-CD1 4.3Å; L737-F857 HydrophobicContact CD2-CE1 4.35Å; L748-F857 HydrophobicContact CD1-CB 4.49Å; E749-F857 CarbonylContact O-C 3.56Å; E749-F857 WeakPolarHBondContact O-CA 3.5Å; L750-F857 HydrophobicContact CD1-CD1 3.79Å; L750-F857 HydrophobicContact CD1-CD2 4.34Å; L750-F857 HydrophobicContact CD1-CE1 3.51Å; L750-F857 HydrophobicContact CD1-CE2 4.08Å; L750-F857 HydrophobicContact CD1-CG 4.19Å; L750-F857 HydrophobicContact CD1-CZ 3.65Å; L750-F857 HydrophobicContact CD2-CE1 4.05Å; L750-F857 HydrophobicContact CD2-CZ 4.47Å; L750-F857 HydrophobicContact CG-CE1 4.27Å; L787-F857 HydrophobicContact CD1-CD1 4.45Å; L787-F857 HydrophobicContact CD1-CE1 3.8Å; L855-F857 HydrophobicContact CB-CE2 4.02Å; L855-F857 HydrophobicContact CB-CZ 4.39Å; F857-E872 CarbonylContact O-C 3.57Å; F857-E872 WeakPolarHBondContact O-CA 3.15Å; F857-L873 HydrophobicContact CB-CB 4.41Å; F857-L873 HydrophobicContact CD2-CD2 4.05Å; F857-L873 WeakPolarHBondContact CD2-O 3.4Å; F857-L873 PolarHBondContact N-O 3.19Å; F857-L873 PolarHBondContact O-N 3.28Å; F857-L875 HydrophobicContact CE2-CB 4.19Å
858R92.6Very high88.7Confident64 Ų6434.4 Ų34.424%0.24219%0.192CC..EExtended strand (participates in β ladder)trans-102.3124.2176.2164.1163.6-172.9-126.73.6109.5L748 E749 Y870 R871L748-R858 CarbonylContact C-O 3.6Å; L748-R858 WeakPolarHBondContact CA-O 3.29Å; E749-R858 HydrophobicContact CB-CB 4.15Å; E749-R858 HydrophobicContact CB-CG 4.5Å; E749-R858 PolarHBondContact N-O 2.96Å; E749-R858 PolarHBondContact O-N 3.38Å; E749-R858 IonicContact OE1-NH1 3.3Å; E749-R858 WeakPolarHBondContact OE2-CD 3.36Å; E749-R858 IonicContact OE2-CZ 3.58Å; E749-R858 IonicContact OE2-NE 3.4Å; E749-R858 IonicContact OE2-NH1 3.63Å; E749-R858 PolarHBondContact OE2-NH1 3.31Å; R858-Y870 HydrophobicContact CB-CD2 4.33Å; R858-Y870 HydrophobicContact CB-CE2 4.5Å; R858-Y870 VanDerWaalsContact CD-CD2 3.5Å; R858-Y870 HydrophobicContact CG-CD2 3.43Å; R858-Y870 VanDerWaalsContact CG-CD2 3.43Å; R858-Y870 HydrophobicContact CG-CE2 3.8Å; R858-Y870 HydrophobicContact CG-CG 4.02Å; R858-Y870 VanDerWaalsContact NE-CD1 3.35Å; R858-Y870 VanDerWaalsContact NE-CE1 3.34Å; R858-Y870 VanDerWaalsContact NE-CG 3.27Å; R858-Y870 VanDerWaalsContact NE-CZ 3.29Å; R858-R871 WeakPolarHBondContact CA-O 3.48Å
859Y93.3Very high89.5Confident2 Ų232.1 Ų32.11%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-141.2148.9-173.564.8-81.3000113S550 P694 L696 I745 S747 R871 L873S550-Y859 PolarHBondContact O-OH 2.72Å; P694-Y859 HydrophobicContact CG-CD2 4.11Å; P694-Y859 HydrophobicContact CG-CE2 4.43Å; P694-Y859 WeakPolarHBondContact O-CE2 3.33Å; L696-Y859 HydrophobicContact CB-CD1 4.31Å; L696-Y859 HydrophobicContact CB-CD2 4.02Å; L696-Y859 HydrophobicContact CB-CE1 3.94Å; L696-Y859 HydrophobicContact CB-CE2 3.59Å; L696-Y859 HydrophobicContact CB-CG 4.36Å; L696-Y859 HydrophobicContact CD2-CD1 3.93Å; L696-Y859 HydrophobicContact CD2-CE1 4.2Å; L696-Y859 HydrophobicContact CD2-CG 4.11Å; I745-Y859 HydrophobicContact CD1-CD2 4.49Å; S747-Y859 WeakPolarHBondContact O-CA 3.41Å; S747-Y859 WeakPolarHBondContact O-CB 3.29Å; Y859-R871 HydrophobicContact CD1-CB 4.2Å; Y859-R871 WeakPolarHBondContact CD1-O 3.45Å; Y859-R871 HydrophobicContact CD2-CB 4.31Å; Y859-R871 HydrophobicContact CE1-CB 3.6Å; Y859-R871 HydrophobicContact CE2-CB 3.74Å; Y859-R871 HydrophobicContact CE2-CG 4.45Å; Y859-R871 PolarHBondContact N-O 2.99Å; Y859-R871 PolarHBondContact O-N 3.49Å; Y859-R871 WeakPolarHBondContact OH-CD 3.36Å; Y859-L873 HydrophobicContact CE1-CB 4.13Å
860S93.9Very high89.9Confident4 Ų430.5 Ų30.53%0.02817%0.17CC..EExtended strand (participates in β ladder)trans-160159.7179-164.10000112.5E746 S747 K865 Y869E746-S860 PolarHBondContact N-O 3.39Å; S747-S860 PolarHBondContact N-O 3.17Å; S747-S860 PolarHBondContact O-N 3Å; S747-S860 VanDerWaalsContact O-N 3.13Å; S747-S860 WeakPolarHBondContact OG-CB 3.43Å; S747-S860 PolarHBondContact OG-N 3.02Å; S747-S860 PolarHBondContact OG-O 2.92Å; S860-K865 WeakPolarHBondContact OG-CA 3.16Å; S860-K865 VanDerWaalsContact OG-CB 3.29Å; S860-K865 WeakPolarHBondContact OG-CB 3.4Å; S860-Y869 WeakPolarHBondContact CB-O 3.34Å; S860-Y869 PolarHBondContact OG-O 3.41Å
861G91.8Very high90.3Very high0 Ų027.5 Ų27.50%015%0.151CC..  trans-173.7173.6175.900000112D744 K865D744-G861 WeakPolarHBondContact O-CA 3.45Å; G861-K865 PolarHBondContact O-N 3.5Å
862G89.6Confident90.5Very high15 Ų1530 Ų3016%0.15516%0.163CC..Hα-helixtrans63.1-153.4176.100000114.3E746 G864 K865 V866E746-G862 PolarHBondContact OE1-N 3.12Å; G862-G864 VanDerWaalsContact C-N 3.33Å; G862-G864 PolarHBondContact O-N 2.79Å; G862-K865 PolarHBondContact O-N 2.96Å; G862-V866 PolarHBondContact O-N 3.5Å
863A87.9Confident90.6Very high48 Ų4828.7 Ų28.740%0.39716%0.157SC..Hα-helixtrans-63.3-35.9-176.500000113.1P691 K865 V866 E867P691-A863 HydrophobicContact CB-CB 3.76Å; A863-K865 VanDerWaalsContact C-N 3.3Å; A863-K865 PolarHBondContact O-N 3.25Å; A863-V866 PolarHBondContact O-N 2.8Å; A863-E867 PolarHBondContact O-N 2.99Å
864G88.3Confident90.6Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-61.9-35.7177.300000113S692 G862 E867 G868 Y869S692-G864 PolarHBondContact O-N 2.96Å; G862-G864 VanDerWaalsContact C-N 3.33Å; G862-G864 PolarHBondContact O-N 2.79Å; G864-E867 PolarHBondContact O-N 2.57Å; G864-G868 PolarHBondContact O-N 2.92Å; G864-Y869 WeakPolarHBondContact O-CB 3.35Å; G864-Y869 PolarHBondContact O-N 3.39Å
865K89.6Confident90.6Very high74 Ų7429.2 Ų29.232%0.32216%0.161SC..Hα-helixtrans-65.8-41.8175.1-175.2178.7165.5-167.10112.4E746 S860 G861 G862 A863 E867 G868E746-K865 HydrophobicContact CB-CD 4.1Å; E746-K865 VanDerWaalsContact OE2-CD 3.32Å; E746-K865 WeakPolarHBondContact OE2-CD 3.28Å; E746-K865 IonicContact OE2-NZ 3.9Å; E746-K865 PolarHBondContact OE2-NZ 2.92Å; S860-K865 WeakPolarHBondContact OG-CA 3.16Å; S860-K865 VanDerWaalsContact OG-CB 3.29Å; S860-K865 WeakPolarHBondContact OG-CB 3.4Å; G861-K865 PolarHBondContact O-N 3.5Å; G862-K865 PolarHBondContact O-N 2.96Å; A863-K865 VanDerWaalsContact C-N 3.3Å; A863-K865 PolarHBondContact O-N 3.25Å; K865-E867 PolarHBondContact O-N 3.26Å; K865-G868 WeakPolarHBondContact O-CA 3.49Å; K865-G868 PolarHBondContact O-N 3.29Å
866V87.9Confident90.6Very high130 Ų13029.6 Ų29.679%0.78817%0.165SC*.Hα-helixtrans-60-36.7178.9178.30000111G862 A863 G868G862-V866 PolarHBondContact O-N 3.5Å; A863-V866 PolarHBondContact O-N 2.8Å; V866-G868 PolarHBondContact O-N 3.4Å
867E86.4Confident90.5Very high105 Ų10528.8 Ų28.849%0.49116%0.161SC..THydrogen-bonded Turntrans-81.43174.7-66.6-163.4174.500114.4P691 A863 G864 K865 Y869P691-E867 WeakPolarHBondContact CD-OE2 2.95Å; P691-E867 VanDerWaalsContact CG-CD 3.42Å; P691-E867 HydrophobicContact CG-CG 4.23Å; P691-E867 WeakPolarHBondContact CG-OE2 3.1Å; A863-E867 PolarHBondContact O-N 2.99Å; G864-E867 PolarHBondContact O-N 2.57Å; K865-E867 PolarHBondContact O-N 3.26Å; E867-Y869 HydrophobicContact CB-CD2 3.78Å; E867-Y869 HydrophobicContact CB-CE2 3.9Å
868G90.4Very high90.3Very high22 Ų2229.8 Ų29.823%0.22717%0.165CC..THydrogen-bonded Turntrans78.929.3176.600000114.2K555 V556 G864 K865 V866K555-G868 CarbonylContact C-O 3.43Å; K555-G868 WeakPolarHBondContact CA-O 3.41Å; V556-G868 VanDerWaalsContact CG2-O 3.31Å; V556-G868 WeakPolarHBondContact CG2-O 3.42Å; V556-G868 PolarHBondContact N-O 2.78Å; G864-G868 PolarHBondContact O-N 2.92Å; K865-G868 WeakPolarHBondContact O-CA 3.49Å; K865-G868 PolarHBondContact O-N 3.29Å; V866-G868 PolarHBondContact O-N 3.4Å
869Y92.7Very high90.1Very high7 Ų726.7 Ų26.73%0.02715%0.154CC..EExtended strand (participates in β ladder)trans-100.2154.6172.4-64.7-86.3000112.2P553 H554 K555 I690 S860 G864 E867P553-Y869 HydrophobicContact CB-CD1 4.31Å; H554-Y869 CarbonylContact O-C 3.57Å; H554-Y869 VanDerWaalsContact O-CA 3.25Å; H554-Y869 WeakPolarHBondContact O-CA 3.43Å; K555-Y869 HydrophobicContact CB-CD1 4.11Å; K555-Y869 HydrophobicContact CB-CE1 3.94Å; K555-Y869 HydrophobicContact CD-CE1 3.99Å; K555-Y869 HydrophobicContact CG-CD1 4.37Å; K555-Y869 HydrophobicContact CG-CE1 4.07Å; K555-Y869 PolarHBondContact NZ-OH 3.18Å; K555-Y869 VanDerWaalsContact NZ-OH 3.14Å; I690-Y869 HydrophobicContact CB-CE2 4.34Å; I690-Y869 HydrophobicContact CD1-CD1 3.66Å; I690-Y869 HydrophobicContact CD1-CD2 4.03Å; I690-Y869 HydrophobicContact CD1-CE1 4.14Å; I690-Y869 HydrophobicContact CD1-CE2 4.5Å; I690-Y869 HydrophobicContact CD1-CG 3.6Å; I690-Y869 HydrophobicContact CG2-CE1 4Å; I690-Y869 HydrophobicContact CG2-CE2 4.02Å; S860-Y869 WeakPolarHBondContact CB-O 3.34Å; S860-Y869 PolarHBondContact OG-O 3.41Å; G864-Y869 WeakPolarHBondContact O-CB 3.35Å; G864-Y869 PolarHBondContact O-N 3.39Å; E867-Y869 HydrophobicContact CB-CD2 3.78Å; E867-Y869 HydrophobicContact CB-CE2 3.9Å
870Y92.9Very high89.9Confident39 Ų3928.1 Ų28.115%0.15316%0.162CC..EExtended strand (participates in β ladder)trans-149.3167.4175.268.6-88.3000110.7H554 V556 R858H554-Y870 HydrophobicContact CB-CD1 3.94Å; H554-Y870 HydrophobicContact CB-CD2 3.91Å; H554-Y870 HydrophobicContact CB-CE1 3.52Å; H554-Y870 HydrophobicContact CB-CE2 3.48Å; H554-Y870 VanDerWaalsContact CB-CE2 3.48Å; H554-Y870 HydrophobicContact CB-CG 4.15Å; H554-Y870 PolarHBondContact N-O 3.27Å; H554-Y870 WeakPolarHBondContact O-CD1 3.44Å; H554-Y870 PolarHBondContact O-N 3.3Å; V556-Y870 HydrophobicContact CG2-CD1 3.85Å; V556-Y870 HydrophobicContact CG2-CE1 4.27Å; R858-Y870 HydrophobicContact CB-CD2 4.33Å; R858-Y870 HydrophobicContact CB-CE2 4.5Å; R858-Y870 VanDerWaalsContact CD-CD2 3.5Å; R858-Y870 HydrophobicContact CG-CD2 3.43Å; R858-Y870 VanDerWaalsContact CG-CD2 3.43Å; R858-Y870 HydrophobicContact CG-CE2 3.8Å; R858-Y870 HydrophobicContact CG-CG 4.02Å; R858-Y870 VanDerWaalsContact NE-CD1 3.35Å; R858-Y870 VanDerWaalsContact NE-CE1 3.34Å; R858-Y870 VanDerWaalsContact NE-CG 3.27Å; R858-Y870 VanDerWaalsContact NE-CZ 3.29Å
871R92.9Very high89.7Confident1 Ų128.1 Ų28.10%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-114.1156.6170.3-75.3-174.1168.3148.10.2111.2L551 D596 L693 P694 R695 R858 Y859L551-R871 PolarHBondContact O-NE 2.95Å; L551-R871 PolarHBondContact O-NH2 3.17Å; L551-R871 VanDerWaalsContact O-NH2 3.15Å; D596-R871 IonicContact OD1-NH2 3.78Å; D596-R871 IonicContact OD2-CZ 2.8Å; D596-R871 IonicContact OD2-NH2 3.11Å; D596-R871 PolarHBondContact OD2-NH2 2.96Å; L693-R871 HydrophobicContact CB-CG 4.49Å; L693-R871 HydrophobicContact CD1-CG 4.2Å; L693-R871 PolarHBondContact O-NH1 3.49Å; P694-R871 WeakPolarHBondContact O-CD 3.38Å; P694-R871 PolarHBondContact O-NH1 3.43Å; R695-R871 VanDerWaalsContact CG-NH1 3.31Å; R858-R871 WeakPolarHBondContact CA-O 3.48Å; Y859-R871 HydrophobicContact CD1-CB 4.2Å; Y859-R871 WeakPolarHBondContact CD1-O 3.45Å; Y859-R871 HydrophobicContact CD2-CB 4.31Å; Y859-R871 HydrophobicContact CE1-CB 3.6Å; Y859-R871 HydrophobicContact CE2-CB 3.74Å; Y859-R871 HydrophobicContact CE2-CG 4.45Å; Y859-R871 PolarHBondContact N-O 2.99Å; Y859-R871 PolarHBondContact O-N 3.49Å; Y859-R871 WeakPolarHBondContact OH-CD 3.36Å
872E90.4Very high89.6Confident54 Ų5431.3 Ų31.325%0.25218%0.176SC..EExtended strand (participates in β ladder)trans-125.4140.2177.5-169.2168.6-174.200110N856 F857N856-E872 HydrophobicContact CB-CG 4.46Å; N856-E872 WeakPolarHBondContact CB-OE1 3.49Å; F857-E872 CarbonylContact O-C 3.57Å; F857-E872 WeakPolarHBondContact O-CA 3.15Å
873L89.8Confident89.4Confident8 Ų831.7 Ų31.74%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-132.5135.2174.9-174.8142.6000108.5L698 F857 Y859L698-L873 HydrophobicContact CB-CD1 4.31Å; L698-L873 HydrophobicContact CB-CD2 3.6Å; L698-L873 HydrophobicContact CD1-CD2 3.33Å; L698-L873 HydrophobicContact CG-CD2 4.03Å; F857-L873 HydrophobicContact CB-CB 4.41Å; F857-L873 HydrophobicContact CD2-CD2 4.05Å; F857-L873 WeakPolarHBondContact CD2-O 3.4Å; F857-L873 PolarHBondContact N-O 3.19Å; F857-L873 PolarHBondContact O-N 3.28Å; Y859-L873 HydrophobicContact CE1-CB 4.13Å
874S89.9Confident89.5Confident22 Ų2229.5 Ų29.515%0.15416%0.157CC..EExtended strand (participates in β ladder)trans-123.3129.5-170.8-56.50000111.7S718 S719 L855 N856S718-S874 VanDerWaalsContact CB-O 3.23Å; S718-S874 WeakPolarHBondContact CB-O 3.38Å; S718-S874 PolarHBondContact N-O 3.31Å; S718-S874 PolarHBondContact OG-N 2.64Å; S718-S874 VanDerWaalsContact OG-N 3.14Å; S718-S874 PolarHBondContact OG-O 2.9Å; S719-S874 PolarHBondContact N-O 3.45Å; L855-S874 CarbonylContact O-C 3.51Å; L855-S874 WeakPolarHBondContact O-CA 3.33Å; N856-S874 VanDerWaalsContact OD1-CB 3.32Å; N856-S874 WeakPolarHBondContact OD1-CB 3.35Å; N856-S874 PolarHBondContact OD1-OG 2.93Å
875L89.7Confident89.6Confident0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans-114117.8175.6172.367.3000109.9L698 T700 S719 V721 L733 I735 V854 L855 F857 V877L698-L875 HydrophobicContact CD1-CB 4.17Å; L698-L875 HydrophobicContact CD1-CD2 4.4Å; L698-L875 HydrophobicContact CD2-CD1 4.18Å; L698-L875 HydrophobicContact CD2-CD2 4.45Å; T700-L875 HydrophobicContact CG2-CD1 4.07Å; T700-L875 HydrophobicContact CG2-CD2 3.81Å; S719-L875 WeakPolarHBondContact O-CA 3.18Å; S719-L875 VanDerWaalsContact OG-CD1 3.24Å; S719-L875 WeakPolarHBondContact OG-CD1 3.5Å; V721-L875 HydrophobicContact CG1-CD1 4.18Å; V721-L875 HydrophobicContact CG2-CD1 4.34Å; L733-L875 HydrophobicContact CD2-CD2 4.4Å; I735-L875 HydrophobicContact CD1-CD2 3.56Å; I735-L875 HydrophobicContact CG1-CD2 4.19Å; V854-L875 WeakPolarHBondContact CA-O 3.2Å; L855-L875 HydrophobicContact CB-CB 4.3Å; L855-L875 HydrophobicContact CD1-CD2 4.21Å; L855-L875 PolarHBondContact N-O 3.04Å; L855-L875 PolarHBondContact O-N 3.18Å; F857-L875 HydrophobicContact CE2-CB 4.19Å; L875-V877 HydrophobicContact CG-CG2 4.46Å
876G88.9Confident89.5Confident7 Ų727.5 Ų27.57%0.07215%0.149CC..EExtended strand (participates in β ladder)trans-76.9133.2170.300000111.5S719 S720 V721S719-G876 PolarHBondContact O-N 2.98Å; S720-G876 CarbonylContact C-O 3.58Å; S720-G876 VanDerWaalsContact CA-O 3.25Å; S720-G876 WeakPolarHBondContact CA-O 3.14Å; V721-G876 WeakPolarHBondContact CG2-O 3.48Å; V721-G876 PolarHBondContact N-O 3.25Å
877V89.3Confident89.6Confident3 Ų321.6 Ų21.62%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-117.8113.5174.8-176.50000108V721 L733 L766 I791 E852 A853 L855 L875 V879V721-V877 HydrophobicContact CG2-CB 4.4Å; V721-V877 HydrophobicContact CG2-CG1 4.38Å; V721-V877 HydrophobicContact CG2-CG2 4.08Å; L733-V877 HydrophobicContact CD2-CG2 4.27Å; L766-V877 HydrophobicContact CD2-CG1 4.37Å; I791-V877 HydrophobicContact CD1-CG1 4.13Å; E852-V877 WeakPolarHBondContact CA-O 3.38Å; A853-V877 PolarHBondContact N-O 3.2Å; A853-V877 PolarHBondContact O-N 3.33Å; L855-V877 HydrophobicContact CD1-CG2 3.92Å; L855-V877 HydrophobicContact CG-CG2 4.23Å; L875-V877 HydrophobicContact CG-CG2 4.46Å; V877-V879 HydrophobicContact CG1-CG2 4.15Å
878H88.8Confident89.4Confident20 Ų2018.3 Ų18.39%0.09310%0.1CC..EExtended strand (participates in β ladder)trans-107.4127.1177.1-173.9-88.4000109.7V721 S722 V723 E852 D880V721-H878 PolarHBondContact O-N 3.37Å; S722-H878 CarbonylContact C-O 3.56Å; S722-H878 VanDerWaalsContact CA-O 3.25Å; S722-H878 WeakPolarHBondContact CA-O 3.46Å; V723-H878 PolarHBondContact N-O 3.35Å; E852-H878 IonicContact OE1-CD2 2.59Å; E852-H878 PolarHBondContact OE1-CD2 3.49Å; E852-H878 IonicContact OE1-NE2 3.56Å; H878-D880 IonicContact CE1-OD1 3.51Å; H878-D880 PolarHBondContact CE1-OD1 3.05Å; H878-D880 IonicContact CE1-OD2 3.08Å; H878-D880 IonicContact ND1-OD1 3.66Å; H878-D880 IonicContact ND1-OD2 3.77Å
879V88.6Confident89.1Confident0 Ų024.5 Ų24.50%012%0.117CC..EExtended strand (participates in β ladder)trans-124.9114.7-179.8-174.10000108.8V723 L725 F765 I791 V793 T850 L851 V877 V881V723-V879 HydrophobicContact CG1-CB 4.34Å; V723-V879 HydrophobicContact CG1-CG1 4.16Å; V723-V879 HydrophobicContact CG1-CG2 3.9Å; V723-V879 CarbonylContact O-C 3.56Å; V723-V879 WeakPolarHBondContact O-CA 3.45Å; L725-V879 HydrophobicContact CB-CG1 4.27Å; L725-V879 HydrophobicContact CD1-CG1 3.84Å; L725-V879 HydrophobicContact CG-CG1 4.14Å; F765-V879 HydrophobicContact CE2-CG2 4.19Å; I791-V879 HydrophobicContact CG2-CG2 3.88Å; V793-V879 HydrophobicContact CG2-CG1 3.8Å; T850-V879 WeakPolarHBondContact CA-O 3.5Å; L851-V879 HydrophobicContact CB-CB 4.21Å; L851-V879 PolarHBondContact N-O 3.36Å; L851-V879 PolarHBondContact O-N 3.48Å; V877-V879 HydrophobicContact CG1-CG2 4.15Å; V879-V881 HydrophobicContact CG1-CG2 4.09Å
880D88.4Confident88.8Confident32 Ų3225 Ų2517%0.17112%0.12CC..EExtended strand (participates in β ladder)trans-83.6122.1169.4-73-39.6000108.3V723 Q724 L725 V848 T850 H878V723-D880 PolarHBondContact O-N 3.43Å; Q724-D880 WeakPolarHBondContact CA-O 3.24Å; Q724-D880 HydrophobicContact CB-CB 4.49Å; Q724-D880 HydrophobicContact CG-CB 3.68Å; L725-D880 PolarHBondContact N-O 3.13Å; V848-D880 HydrophobicContact CG1-CB 3.85Å; T850-D880 WeakPolarHBondContact CG2-OD1 3.26Å; H878-D880 IonicContact CE1-OD1 3.51Å; H878-D880 PolarHBondContact CE1-OD1 3.05Å; H878-D880 IonicContact CE1-OD2 3.08Å; H878-D880 IonicContact ND1-OD1 3.66Å; H878-D880 IonicContact ND1-OD2 3.77Å
881V89.1Confident88.6Confident3 Ų324.6 Ų24.62%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-109.2111-174.8-176.60000110.2L725 N727 V793 L795 V848 K849 L851 V879L725-V881 CarbonylContact O-C 3.57Å; L725-V881 VanDerWaalsContact O-CA 3.26Å; L725-V881 WeakPolarHBondContact O-CA 3.44Å; N727-V881 HydrophobicContact CB-CG1 4.02Å; V793-V881 HydrophobicContact CB-CG2 4.49Å; V793-V881 HydrophobicContact CG1-CB 4.15Å; V793-V881 HydrophobicContact CG1-CG1 3.49Å; V793-V881 VanDerWaalsContact CG1-CG1 3.49Å; V793-V881 HydrophobicContact CG1-CG2 3.52Å; V793-V881 HydrophobicContact CG2-CG2 4.12Å; L795-V881 HydrophobicContact CD1-CB 3.84Å; L795-V881 HydrophobicContact CD1-CG1 3.52Å; L795-V881 HydrophobicContact CD1-CG2 4.13Å; L795-V881 HydrophobicContact CG-CG1 4.19Å; V848-V881 WeakPolarHBondContact CA-O 3.3Å; K849-V881 HydrophobicContact CB-CB 4.4Å; K849-V881 PolarHBondContact N-O 3.5Å; K849-V881 WeakPolarHBondContact O-CA 2.95Å; K849-V881 WeakPolarHBondContact O-CB 3.34Å; K849-V881 PolarHBondContact O-N 3.17Å; L851-V881 HydrophobicContact CD1-CG2 3.98Å; L851-V881 HydrophobicContact CG-CG2 4.03Å; V879-V881 HydrophobicContact CG1-CG2 4.09Å
882E89.1Confident88.2Confident67 Ų6725.7 Ų25.731%0.31313%0.13SC..EExtended strand (participates in β ladder)trans-85.8146.5170.1-75.2-177.9-167.200111.2L725 F726 N727 V848L725-E882 PolarHBondContact O-N 2.78Å; F726-E882 CarbonylContact C-O 3.37Å; F726-E882 WeakPolarHBondContact CA-O 3.39Å; F726-E882 HydrophobicContact CD1-CB 3.69Å; F726-E882 HydrophobicContact CE1-CB 3.81Å; F726-E882 VanDerWaalsContact CE1-OE2 3.24Å; F726-E882 WeakPolarHBondContact CE1-OE2 3.47Å; F726-E882 HydrophobicContact CG-CB 4.44Å; F726-E882 WeakPolarHBondContact CZ-OE2 3.36Å; N727-E882 PolarHBondContact N-O 3.02Å; V848-E882 HydrophobicContact CG2-CG 4.07Å
883P87.3Confident87.9Confident24 Ų2427.5 Ų27.516%0.15614%0.141CC..  trans-67.7141.2175.131.9-36.5000110.5F726 H847 F886 P910 T911F726-P883 WeakPolarHBondContact CD1-O 3.32Å; H847-P883 HydrophobicContact CB-CG 4.05Å; P883-F886 HydrophobicContact CB-CE2 3.76Å; P883-F886 HydrophobicContact CB-CZ 3.66Å; P883-P910 HydrophobicContact CB-CB 4.23Å; P883-P910 HydrophobicContact CB-CG 3.82Å; P883-P910 HydrophobicContact CG-CB 4.23Å; P883-P910 HydrophobicContact CG-CG 4.24Å; P883-T911 WeakPolarHBondContact O-CG2 3.39Å
884S89.3Confident87.2Confident1 Ų132.7 Ų32.71%0.00718%0.175CC..  trans-109-57.917850.80000112.5N727 F797 P910 T911 W983N727-S884 VanDerWaalsContact O-CB 3.31Å; N727-S884 WeakPolarHBondContact O-CB 3.38Å; N727-S884 PolarHBondContact O-OG 3.05Å; F797-S884 WeakPolarHBondContact CE1-OG 3.4Å; S884-P910 WeakPolarHBondContact O-CD 3.43Å; S884-T911 WeakPolarHBondContact O-CG2 3.28Å; S884-W983 VanDerWaalsContact CB-CE2 3.44Å; S884-W983 PolarHBondContact OG-NE1 3.44Å
885V89.4Confident86.6Confident1 Ų132.5 Ų32.51%0.00618%0.175CC..  trans-138.5151.3175.7-620000109.6F797 I907 L915 V917 W983 A995F797-V885 HydrophobicContact CD1-CG2 3.62Å; F797-V885 WeakPolarHBondContact CD1-O 3.34Å; F797-V885 HydrophobicContact CE1-CG2 3.88Å; V885-I907 HydrophobicContact CB-CG2 4.17Å; V885-I907 HydrophobicContact CG1-CG2 4.42Å; V885-L915 HydrophobicContact CG1-CD1 3.83Å; V885-L915 HydrophobicContact CG1-CD2 3.51Å; V885-L915 HydrophobicContact CG1-CG 4.35Å; V885-V917 HydrophobicContact CG1-CG2 4.21Å; V885-W983 HydrophobicContact CG1-CB 4.13Å; V885-W983 HydrophobicContact CG1-CG 4.32Å; V885-A995 HydrophobicContact CG2-CB 3.57Å
886F88.8Confident85.7Confident32 Ų3237 Ų3714%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-121.8135.2170.2-72.8-62.6000111F797 L803 P883 I907 F908 P910F797-F886 CarbonylContact O-C 3.56Å; F797-F886 WeakPolarHBondContact O-CA 3.4Å; L803-F886 HydrophobicContact CD1-CE2 4.34Å; P883-F886 HydrophobicContact CB-CE2 3.76Å; P883-F886 HydrophobicContact CB-CZ 3.66Å; F886-I907 WeakPolarHBondContact O-CA 3.09Å; F886-F908 HydrophobicContact CB-CB 4.38Å; F886-F908 HydrophobicContact CB-CD1 4.34Å; F886-F908 HydrophobicContact CD2-CD1 4.04Å; F886-F908 HydrophobicContact CD2-CE1 4.49Å; F886-F908 PolarHBondContact N-O 3.42Å; F886-F908 PolarHBondContact O-N 2.87Å; F886-P910 HydrophobicContact CD2-CB 3.7Å; F886-P910 HydrophobicContact CD2-CG 3.57Å; F886-P910 HydrophobicContact CE2-CB 3.61Å; F886-P910 HydrophobicContact CE2-CG 3.66Å
887F88.6Confident85Confident5 Ų537.5 Ų37.52%0.02221%0.205CC..EExtended strand (participates in β ladder)trans-87.2104164.9-59.4-63.5000108.1F797 G799 V890 L905 D906 I907 I981 A995 S996 V997 A1000F797-F887 HydrophobicContact CB-CD2 3.63Å; F797-F887 HydrophobicContact CB-CE2 3.8Å; F797-F887 HydrophobicContact CG-CE2 4.35Å; F797-F887 PolarHBondContact O-N 2.92Å; G799-F887 PolarHBondContact N-O 3.1Å; F887-V890 HydrophobicContact CB-CG2 4.3Å; F887-L905 HydrophobicContact CD1-CB 4.23Å; F887-L905 HydrophobicContact CD1-CD2 4.49Å; F887-L905 HydrophobicContact CE1-CB 4.4Å; F887-L905 HydrophobicContact CE1-CD1 4.08Å; F887-D906 WeakPolarHBondContact CA-O 3.36Å; F887-I907 HydrophobicContact CD1-CG1 4.1Å; F887-I907 HydrophobicContact CE1-CD1 4.13Å; F887-I907 HydrophobicContact CE1-CG1 3.99Å; F887-I981 HydrophobicContact CE1-CD1 4.43Å; F887-I981 HydrophobicContact CZ-CD1 4.19Å; F887-A995 HydrophobicContact CE2-CB 4.27Å; F887-A995 HydrophobicContact CZ-CB 3.91Å; F887-S996 WeakPolarHBondContact CE2-O 3.27Å; F887-V997 HydrophobicContact CD2-CG1 4.25Å; F887-V997 HydrophobicContact CE1-CG1 4.19Å; F887-V997 HydrophobicContact CE2-CB 4.46Å; F887-V997 HydrophobicContact CE2-CG1 3.77Å; F887-V997 HydrophobicContact CZ-CG1 3.73Å; F887-A1000 HydrophobicContact CB-CB 3.85Å; F887-A1000 HydrophobicContact CD2-CB 4.33Å; F887-A1000 HydrophobicContact CG-CB 4.44Å
888T83.9Confident84.2Confident36 Ų3640.1 Ų40.122%0.22122%0.221CC..EExtended strand (participates in β ladder)trans-81.7-30.6-178.455.90000111.5L804 D906 F908L804-T888 HydrophobicContact CD2-CG2 4.21Å; T888-D906 PolarHBondContact N-O 2.79Å; T888-D906 VanDerWaalsContact OG1-CB 3.27Å; T888-D906 WeakPolarHBondContact OG1-CB 3.43Å; T888-D906 PolarHBondContact OG1-O 2.88Å; T888-F908 HydrophobicContact CG2-CB 3.71Å; T888-F908 HydrophobicContact CG2-CG 4.48Å
889R83.7Confident83.8Confident153 Ų15343.5 Ų43.558%0.57723%0.233SC*.EExtended strand (participates in β ladder)trans-150.1138.6176.3-171.3177.1178.4174.3-0.1111.3D906R889-D906 HydrophobicContact CB-CB 3.98Å; R889-D906 WeakPolarHBondContact CB-OD2 3.42Å; R889-D906 PolarHBondContact O-N 3.19Å
890V86.7Confident83.5Confident18 Ų1846.1 Ų46.111%0.10925%0.245CC..EExtended strand (participates in β ladder)trans-125.2128.5174.7-177.30000109F887 L903 L904 L905 A1000 L1001 V1005F887-V890 HydrophobicContact CB-CG2 4.3Å; V890-L903 HydrophobicContact CG1-CD1 3.83Å; V890-L904 WeakPolarHBondContact CA-O 3.3Å; V890-L905 HydrophobicContact CB-CD2 4.28Å; V890-L905 HydrophobicContact CG1-CD2 3.8Å; V890-L905 HydrophobicContact CG2-CD2 3.79Å; V890-A1000 HydrophobicContact CG2-CB 3.7Å; V890-L1001 HydrophobicContact CG1-CD2 4.25Å; V890-V1005 HydrophobicContact CG1-CG1 4.01Å; V890-V1005 HydrophobicContact CG1-CG2 4.24Å
891S87.2Confident83.4Confident29 Ų2944.8 Ų44.820%0.20324%0.238CC..EExtended strand (participates in β ladder)trans-150.6166.5177.359.50000111.7L904S891-L904 PolarHBondContact N-O 3.16Å; S891-L904 PolarHBondContact O-N 2.8Å
892T86.3Confident83.2Confident25 Ų2547.5 Ų47.515%0.15325%0.251CS..EExtended strand (participates in β ladder)trans-123.5139.4-178.9530000110.5H902 L903 V1005 H1008 L1009T892-H902 CarbonylContact C-O 3.58Å; T892-H902 WeakPolarHBondContact CA-O 3.23Å; T892-L903 HydrophobicContact CG2-CD1 4.1Å; T892-V1005 HydrophobicContact CG2-CG1 4.05Å; T892-H1008 HydrophobicContact CG2-CB 4.08Å; T892-H1008 VanDerWaalsContact OG1-CB 3.29Å; T892-H1008 WeakPolarHBondContact OG1-CB 3.42Å; T892-H1008 PolarHBondContact OG1-ND1 2.9Å; T892-L1009 HydrophobicContact CG2-CD2 4.22Å; T892-L1009 HydrophobicContact CG2-CG 4.2Å
893L83.7Confident83.2Confident92 Ų9244.3 Ų44.348%0.48224%0.236SC..EExtended strand (participates in β ladder)trans-111.9141.3166.3-68.6177.1000110.2C901 H902 L904L893-C901 WeakPolarHBondContact O-CA 3.48Å; L893-C901 WeakPolarHBondContact O-CB 3.49Å; L893-H902 HydrophobicContact CB-CB 4.33Å; L893-H902 PolarHBondContact N-O 3.46Å; L893-H902 PolarHBondContact O-N 3.36Å; L893-L904 HydrophobicContact CD1-CD1 3.66Å; L893-L904 HydrophobicContact CD1-CD2 4.45Å; L893-L904 HydrophobicContact CD1-CG 4.36Å; L893-L904 HydrophobicContact CG-CD1 3.73Å; L893-L904 HydrophobicContact CG-CG 4.34Å
894P75.4Confident83.3Confident116 Ų11643.9 Ų43.975%0.75323%0.232SC*.EExtended strand (participates in β ladder)trans-60.6141.3173.325.7-31.8000110.4
895A76.8Confident83.3Confident19 Ų1943.8 Ų43.816%0.15723%0.231CC..  trans-92178.5167.900000110S897 Q900A895-S897 VanDerWaalsContact C-N 3.31Å; A895-S897 PolarHBondContact O-N 2.78Å; A895-Q900 HydrophobicContact CB-CB 3.76Å; A895-Q900 WeakPolarHBondContact CB-O 3.41Å
896T70.2Confident83.3Confident94 Ų9444.9 Ų44.958%0.57724%0.237SC*.SBendtrans-61.4-38.5175.447.40000112C1027T896-C1027 VanDerWaalsContact O-CB 3.24Å; T896-C1027 WeakPolarHBondContact O-CB 3.45Å
897S75.6Confident83.4Confident18 Ų1843.4 Ų43.413%0.12623%0.23CC..SBendtrans-91141.8175.4-173.70000112.3A895 R899 Q900 D1026A895-S897 VanDerWaalsContact C-N 3.31Å; A895-S897 PolarHBondContact O-N 2.78Å; S897-R899 PolarHBondContact O-N 2.87Å; S897-R899 VanDerWaalsContact O-N 3.08Å; S897-R899 PolarHBondContact OG-N 3.33Å; S897-Q900 PolarHBondContact O-N 3.21Å; S897-Q900 VanDerWaalsContact O-N 3.1Å; S897-D1026 PolarHBondContact OG-OD2 2.95Å
898T71.8Confident83.4Confident57 Ų5744.9 Ų44.935%0.3524%0.237SC..THydrogen-bonded Turntrans-61.5-17.2174.557.90000113.6K941T898-K941 WeakPolarHBondContact O-CD 3.38Å; T898-K941 WeakPolarHBondContact O-CE 3.33Å; T898-K941 PolarHBondContact O-NZ 3.42Å
899R79.8Confident83.7Confident92 Ų9243.1 Ų43.135%0.34723%0.226SC..THydrogen-bonded Turntrans-93.1-5-179.8-59.1179.1-177.8-118.66.6113.7S897 K941 L1011 Q1015 D1017S897-R899 PolarHBondContact O-N 2.87Å; S897-R899 VanDerWaalsContact O-N 3.08Å; S897-R899 PolarHBondContact OG-N 3.33Å; R899-K941 WeakPolarHBondContact O-CB 3.48Å; R899-K941 PolarHBondContact O-N 2.89Å; R899-L1011 HydrophobicContact CB-CD1 4.31Å; R899-L1011 HydrophobicContact CG-CD1 4.24Å; R899-Q1015 VanDerWaalsContact NH1-OE1 3.13Å; R899-D1017 IonicContact CZ-OD1 3.89Å; R899-D1017 IonicContact NH2-OD1 2.72Å; R899-D1017 PolarHBondContact NH2-OD1 3.43Å; R899-D1017 IonicContact NH2-OD2 2.82Å
900Q82.3Confident83.7Confident54 Ų5437.5 Ų37.525%0.25221%0.21SC..EExtended strand (participates in β ladder)trans-126.6158.5-178.2-66.3-172.3-27.200111.9A895 S897 V939 D940A895-Q900 HydrophobicContact CB-CB 3.76Å; A895-Q900 WeakPolarHBondContact CB-O 3.41Å; S897-Q900 PolarHBondContact O-N 3.21Å; S897-Q900 VanDerWaalsContact O-N 3.1Å; Q900-V939 WeakPolarHBondContact CA-O 3.43Å; Q900-D940 WeakPolarHBondContact CG-OD1 3.5Å; Q900-D940 PolarHBondContact NE2-OD1 3.06Å
901C85.8Confident83.7Confident4 Ų437.1 Ų37.13%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-152.5159.7169.858.30000111L893 V939L893-C901 WeakPolarHBondContact O-CA 3.48Å; L893-C901 WeakPolarHBondContact O-CB 3.49Å; C901-V939 PolarHBondContact N-O 3.49Å; C901-V939 WeakPolarHBondContact O-CG2 3.4Å; C901-V939 PolarHBondContact O-N 3.26Å
902H86.6Confident83.7Confident61 Ų6144.1 Ų44.128%0.28224%0.237SC..EExtended strand (participates in β ladder)trans-94.1118.6171.2-62.488.5000109.3T892 L893 I937T892-H902 CarbonylContact C-O 3.58Å; T892-H902 WeakPolarHBondContact CA-O 3.23Å; L893-H902 HydrophobicContact CB-CB 4.33Å; L893-H902 PolarHBondContact N-O 3.46Å; L893-H902 PolarHBondContact O-N 3.36Å; H902-I937 CarbonylContact C-O 3.59Å; H902-I937 WeakPolarHBondContact CA-O 3.42Å
903L88.8Confident83.7Confident0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-85.1116.6171-178.165.2000108.9V890 T892 L905 I937 V939 L979 V1005 L1009V890-L903 HydrophobicContact CG1-CD1 3.83Å; T892-L903 HydrophobicContact CG2-CD1 4.1Å; L903-L905 HydrophobicContact CD1-CD2 4.39Å; L903-L905 HydrophobicContact CD2-CD1 4.44Å; L903-L905 HydrophobicContact CD2-CD2 4.18Å; L903-L905 HydrophobicContact CD2-CG 4.42Å; L903-L905 HydrophobicContact CG-CD2 4.04Å; L903-L905 HydrophobicContact CG-CG 4.22Å; L903-I937 PolarHBondContact N-O 3.17Å; L903-I937 PolarHBondContact O-N 3.3Å; L903-V939 HydrophobicContact CB-CG2 4.29Å; L903-L979 HydrophobicContact CD2-CD1 3.65Å; L903-L979 HydrophobicContact CD2-CD2 4.04Å; L903-V1005 HydrophobicContact CD1-CG1 4.2Å; L903-L1009 HydrophobicContact CD1-CD1 4.39Å; L903-L1009 HydrophobicContact CD1-CD2 4.46Å
904L89.2Confident84Confident14 Ų1446.4 Ų46.47%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-98.1121.7177.9-56.4-178.2000109.8V890 S891 L893 M935 A936V890-L904 WeakPolarHBondContact CA-O 3.3Å; S891-L904 PolarHBondContact N-O 3.16Å; S891-L904 PolarHBondContact O-N 2.8Å; L893-L904 HydrophobicContact CD1-CD1 3.66Å; L893-L904 HydrophobicContact CD1-CD2 4.45Å; L893-L904 HydrophobicContact CD1-CG 4.36Å; L893-L904 HydrophobicContact CG-CD1 3.73Å; L893-L904 HydrophobicContact CG-CG 4.34Å; L904-M935 WeakPolarHBondContact CA-O 3.45Å; L904-A936 HydrophobicContact CD2-CB 3.53Å
905L89.8Confident84.7Confident0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-119.2116.2178.9-57.6176.3000109.2F887 V890 L903 I907 R934 M935 I937 I981 V997F887-L905 HydrophobicContact CD1-CB 4.23Å; F887-L905 HydrophobicContact CD1-CD2 4.49Å; F887-L905 HydrophobicContact CE1-CB 4.4Å; F887-L905 HydrophobicContact CE1-CD1 4.08Å; V890-L905 HydrophobicContact CB-CD2 4.28Å; V890-L905 HydrophobicContact CG1-CD2 3.8Å; V890-L905 HydrophobicContact CG2-CD2 3.79Å; L903-L905 HydrophobicContact CD1-CD2 4.39Å; L903-L905 HydrophobicContact CD2-CD1 4.44Å; L903-L905 HydrophobicContact CD2-CD2 4.18Å; L903-L905 HydrophobicContact CD2-CG 4.42Å; L903-L905 HydrophobicContact CG-CD2 4.04Å; L903-L905 HydrophobicContact CG-CG 4.22Å; L905-I907 HydrophobicContact CB-CD1 4.42Å; L905-I907 HydrophobicContact CB-CG1 4.08Å; L905-I907 PolarHBondContact O-N 3.01Å; L905-R934 CarbonylContact O-C 3.6Å; L905-R934 WeakPolarHBondContact O-CA 3.42Å; L905-M935 HydrophobicContact CD1-CE 4.4Å; L905-M935 PolarHBondContact N-O 2.98Å; L905-M935 PolarHBondContact O-N 3.49Å; L905-I937 HydrophobicContact CD1-CD1 3.85Å; L905-I981 HydrophobicContact CD1-CD1 3.43Å; L905-I981 VanDerWaalsContact CD1-CD1 3.43Å; L905-V997 HydrophobicContact CD1-CG1 4Å; L905-V997 HydrophobicContact CD2-CG1 4.14Å
906D88.8Confident85.3Confident23 Ų2341.2 Ų41.212%0.12321%0.208CC..EExtended strand (participates in β ladder)trans-84.2109.2169-66-14.7000107.7F887 T888 R889 R934F887-D906 WeakPolarHBondContact CA-O 3.36Å; T888-D906 PolarHBondContact N-O 2.79Å; T888-D906 VanDerWaalsContact OG1-CB 3.27Å; T888-D906 WeakPolarHBondContact OG1-CB 3.43Å; T888-D906 PolarHBondContact OG1-O 2.88Å; R889-D906 HydrophobicContact CB-CB 3.98Å; R889-D906 WeakPolarHBondContact CB-OD2 3.42Å; R889-D906 PolarHBondContact O-N 3.19Å; D906-R934 VanDerWaalsContact OD1-CB 3.32Å; D906-R934 WeakPolarHBondContact OD1-CB 3.5Å; D906-R934 WeakPolarHBondContact OD1-CG 3.36Å; D906-R934 IonicContact OD1-CZ 2.89Å; D906-R934 IonicContact OD1-NE 2.59Å; D906-R934 PolarHBondContact OD1-NE 3.38Å; D906-R934 IonicContact OD1-NH2 3.66Å; D906-R934 PolarHBondContact OD1-NH2 3.4Å; D906-R934 VanDerWaalsContact OD1-NH2 3.11Å; D906-R934 IonicContact OD2-CZ 3.27Å; D906-R934 IonicContact OD2-NE 3.6Å; D906-R934 IonicContact OD2-NH2 2.77Å; D906-R934 PolarHBondContact OD2-NH2 3.22Å
907I90.3Very high86.3Confident1 Ų136.8 Ų36.81%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-106.2119.6-172.9-47.6-176.7000108.9V885 F886 F887 L905 V917 L925 L927 C932 Q933 M935V885-I907 HydrophobicContact CB-CG2 4.17Å; V885-I907 HydrophobicContact CG1-CG2 4.42Å; F886-I907 WeakPolarHBondContact O-CA 3.09Å; F887-I907 HydrophobicContact CD1-CG1 4.1Å; F887-I907 HydrophobicContact CE1-CD1 4.13Å; F887-I907 HydrophobicContact CE1-CG1 3.99Å; L905-I907 HydrophobicContact CB-CD1 4.42Å; L905-I907 HydrophobicContact CB-CG1 4.08Å; L905-I907 PolarHBondContact O-N 3.01Å; I907-V917 HydrophobicContact CD1-CG1 3.95Å; I907-V917 HydrophobicContact CG2-CG2 4.23Å; I907-L925 HydrophobicContact CB-CD2 4.45Å; I907-L925 HydrophobicContact CD1-CD2 4.23Å; I907-L927 HydrophobicContact CB-CD1 4.19Å; I907-L927 HydrophobicContact CG2-CD1 3.82Å; I907-C932 VanDerWaalsContact O-CA 3.31Å; I907-C932 WeakPolarHBondContact O-CA 3.22Å; I907-Q933 PolarHBondContact N-O 2.98Å; I907-Q933 PolarHBondContact O-N 3.31Å; I907-M935 HydrophobicContact CD1-CB 3.88Å; I907-M935 HydrophobicContact CD1-CE 4Å; I907-M935 HydrophobicContact CD1-SD 3.97Å; I907-M935 HydrophobicContact CG1-CB 4.47Å
908F88.8Confident86.9Confident36 Ų3637.9 Ų37.916%0.15819%0.188CC..EExtended strand (participates in β ladder)trans-104.6137.3176.7174.5-105.8000110.7F886 T888 P910 S930 E931 C932F886-F908 HydrophobicContact CB-CB 4.38Å; F886-F908 HydrophobicContact CB-CD1 4.34Å; F886-F908 HydrophobicContact CD2-CD1 4.04Å; F886-F908 HydrophobicContact CD2-CE1 4.49Å; F886-F908 PolarHBondContact N-O 3.42Å; F886-F908 PolarHBondContact O-N 2.87Å; T888-F908 HydrophobicContact CG2-CB 3.71Å; T888-F908 HydrophobicContact CG2-CG 4.48Å; F908-P910 HydrophobicContact CD1-CB 4.22Å; F908-P910 HydrophobicContact CE1-CB 3.86Å; F908-P910 WeakPolarHBondContact O-CD 3.49Å; F908-S930 WeakPolarHBondContact CE2-O 3.29Å; F908-E931 CarbonylContact C-O 3.57Å; F908-E931 WeakPolarHBondContact CA-O 3.25Å; F908-E931 WeakPolarHBondContact CD2-O 3.43Å; F908-C932 HydrophobicContact CB-CB 4.27Å; F908-C932 HydrophobicContact CD2-CB 4.03Å
909N89.3Confident87.6Confident0 Ų035.7 Ų35.70%018%0.176CC..  trans-96.198.7173.8179.58.5000110.9T911 H913 L927 H928 S930 E931N909-T911 VanDerWaalsContact C-N 3.26Å; N909-T911 PolarHBondContact O-N 3.32Å; N909-T911 WeakPolarHBondContact OD1-CB 3.25Å; N909-T911 PolarHBondContact OD1-N 2.91Å; N909-T911 PolarHBondContact OD1-OG1 3.46Å; N909-H913 PolarHBondContact ND2-O 3.38Å; N909-L927 HydrophobicContact CB-CB 3.82Å; N909-L927 HydrophobicContact CB-CD1 4.26Å; N909-L927 PolarHBondContact ND2-O 2.92Å; N909-H928 PolarHBondContact ND2-O 3.19Å; N909-S930 VanDerWaalsContact O-CA 3.3Å; N909-S930 WeakPolarHBondContact O-CA 3.38Å; N909-S930 PolarHBondContact O-N 2.8Å; N909-E931 PolarHBondContact N-O 2.78Å
910P85.5Confident87.5Confident35 Ų3536.9 Ų36.923%0.22718%0.183CC..  trans-77.5-4.4175.333.5-39.3000114.4P883 S884 F886 F908P883-P910 HydrophobicContact CB-CB 4.23Å; P883-P910 HydrophobicContact CB-CG 3.82Å; P883-P910 HydrophobicContact CG-CB 4.23Å; P883-P910 HydrophobicContact CG-CG 4.24Å; S884-P910 WeakPolarHBondContact O-CD 3.43Å; F886-P910 HydrophobicContact CD2-CB 3.7Å; F886-P910 HydrophobicContact CD2-CG 3.57Å; F886-P910 HydrophobicContact CE2-CB 3.61Å; F886-P910 HydrophobicContact CE2-CG 3.66Å; F908-P910 HydrophobicContact CD1-CB 4.22Å; F908-P910 HydrophobicContact CE1-CB 3.86Å; F908-P910 WeakPolarHBondContact O-CD 3.49Å
911T86Confident86.9Confident10 Ų1041.3 Ų41.36%0.06121%0.209CC..SBendtrans-84.2158.5-17776.60000111.4F726 P883 S884 N909 H913 P929 I985F726-T911 HydrophobicContact CD1-CG2 4.4Å; F726-T911 HydrophobicContact CE1-CG2 4.14Å; P883-T911 WeakPolarHBondContact O-CG2 3.39Å; S884-T911 WeakPolarHBondContact O-CG2 3.28Å; N909-T911 VanDerWaalsContact C-N 3.26Å; N909-T911 PolarHBondContact O-N 3.32Å; N909-T911 WeakPolarHBondContact OD1-CB 3.25Å; N909-T911 PolarHBondContact OD1-N 2.91Å; N909-T911 PolarHBondContact OD1-OG1 3.46Å; T911-H913 PolarHBondContact O-N 2.87Å; T911-H913 PolarHBondContact OG1-N 3.21Å; T911-H913 PolarHBondContact OG1-O 3.26Å; T911-P929 WeakPolarHBondContact O-CA 3.35Å; T911-P929 WeakPolarHBondContact O-CB 3.4Å; T911-I985 HydrophobicContact CG2-CD1 4.25Å
912E86.9Confident86.5Confident176 Ų17642.8 Ų42.882%0.82222%0.219SC*.SBendtrans-78.56.1171.2-61.2-172169.900113P929E912-P929 WeakPolarHBondContact O-CG 3.48Å
913H87.2Confident86.1Confident60 Ų6048.3 Ų48.328%0.27825%0.245SC..SBendtrans-117.9154.3-175-59.2-51.7000111.7N909 T911 L915 I985 L988N909-H913 PolarHBondContact ND2-O 3.38Å; T911-H913 PolarHBondContact O-N 2.87Å; T911-H913 PolarHBondContact OG1-N 3.21Å; T911-H913 PolarHBondContact OG1-O 3.26Å; H913-L915 PolarHBondContact O-N 3.46Å; H913-I985 HydrophobicContact CB-CG2 3.59Å; H913-L988 VanDerWaalsContact CD2-CD1 3.44Å; H913-L988 WeakPolarHBondContact CD2-CD1 3.07Å
914E88.9Confident86Confident105 Ų10553.6 Ų53.649%0.49127%0.273SS..  trans-66.6130167.8-171-178.7158.300109.4V926E914-V926 HydrophobicContact CG-CG1 3.86Å; E914-V926 WeakPolarHBondContact OE1-CG1 3.24Å
915L89.4Confident85.9Confident0 Ų053.9 Ų53.90%028%0.275CS..EExtended strand (participates in β ladder)trans-128.3130.6-173.8179.1145.5000109.5V885 H913 V917 L927 W983 S984 I985V885-L915 HydrophobicContact CG1-CD1 3.83Å; V885-L915 HydrophobicContact CG1-CD2 3.51Å; V885-L915 HydrophobicContact CG1-CG 4.35Å; H913-L915 PolarHBondContact O-N 3.46Å; L915-V917 HydrophobicContact CD2-CG2 3.33Å; L915-L927 PolarHBondContact N-O 3.06Å; L915-L927 PolarHBondContact O-N 3.21Å; L915-W983 HydrophobicContact CD1-CB 4.02Å; L915-W983 HydrophobicContact CD1-CD2 4.2Å; L915-W983 HydrophobicContact CD1-CE3 3.92Å; L915-W983 HydrophobicContact CD1-CG 4.26Å; L915-W983 HydrophobicContact CD2-CB 3.89Å; L915-W983 HydrophobicContact CG-CB 4.07Å; L915-S984 WeakPolarHBondContact CA-O 3.32Å; L915-I985 HydrophobicContact CB-CG1 4.29Å; L915-I985 HydrophobicContact CD1-CD1 4.13Å; L915-I985 HydrophobicContact CD1-CG1 3.89Å; L915-I985 HydrophobicContact CG-CG1 4.25Å
916T90.7Very high85.9Confident26 Ų2656.8 Ų56.816%0.1629%0.292CS..EExtended strand (participates in β ladder)trans-101.7124.3174.8-49.60000109.3D924 L925 V926 W983 S984T916-D924 HydrophobicContact CG2-CB 4.1Å; T916-L925 CarbonylContact C-O 3.53Å; T916-L925 WeakPolarHBondContact CA-O 3.42Å; T916-V926 HydrophobicContact CG2-CG2 4.24Å; T916-W983 CarbonylContact O-C 3.59Å; T916-W983 VanDerWaalsContact O-CA 3.24Å; T916-W983 WeakPolarHBondContact O-CA 3.41Å; T916-S984 PolarHBondContact N-O 2.85Å; T916-S984 PolarHBondContact O-N 3.04Å
917V90.3Very high85.9Confident1 Ų155.7 Ų55.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-103.6130.4172.4-173.50000109.3V885 I907 L915 L925 L927 M935 I981 C982 W983V885-V917 HydrophobicContact CG1-CG2 4.21Å; I907-V917 HydrophobicContact CD1-CG1 3.95Å; I907-V917 HydrophobicContact CG2-CG2 4.23Å; L915-V917 HydrophobicContact CD2-CG2 3.33Å; V917-L925 HydrophobicContact CB-CB 4.36Å; V917-L925 PolarHBondContact N-O 3.35Å; V917-L925 PolarHBondContact O-N 3.46Å; V917-L927 HydrophobicContact CG2-CD1 4.12Å; V917-M935 HydrophobicContact CG1-SD 4.32Å; V917-I981 HydrophobicContact CG1-CG2 3.54Å; V917-C982 CarbonylContact C-O 3.5Å; V917-C982 WeakPolarHBondContact CA-O 3.45Å; V917-W983 HydrophobicContact CG2-CB 4.46Å
918S89.4Confident85.8Confident41 Ų4160.4 Ų60.429%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-121.7147.5176.657.70000108.9D924 I981 C982S918-D924 WeakPolarHBondContact CB-OD1 3.5Å; S918-I981 CarbonylContact O-C 3.56Å; S918-I981 VanDerWaalsContact O-CA 3.3Å; S918-I981 WeakPolarHBondContact O-CA 3.37Å; S918-C982 PolarHBondContact N-O 3.02Å; S918-C982 PolarHBondContact O-N 3.44Å; S918-C982 PolarHBondContact OG-O 3.13Å
919A86.3Confident85.7Confident11 Ų1161.5 Ų61.59%0.09132%0.319CS..  trans-144.3156.4173.100000110.4N921 S922 M935 I937 I981A919-N921 PolarHBondContact O-N 2.74Å; A919-S922 PolarHBondContact O-N 2.63Å; A919-M935 HydrophobicContact CB-CE 3.37Å; A919-M935 HydrophobicContact CB-SD 4.28Å; A919-I937 HydrophobicContact CB-CD1 3.9Å; A919-I937 HydrophobicContact CB-CG1 4.4Å; A919-I981 HydrophobicContact CB-CG1 4.06Å
920K76.9Confident85.4Confident117 Ų11765.8 Ų65.851%0.50935%0.349SS..THydrogen-bonded Turntrans-63.3128.7-178.9-164.8173.3-175.4172.20110.8S922 K978 L979 D980K920-S922 VanDerWaalsContact C-N 3.31Å; K920-S922 PolarHBondContact O-N 2.99Å; K920-K978 WeakPolarHBondContact CD-O 3.46Å; K920-L979 WeakPolarHBondContact CB-O 3.37Å; K920-L979 PolarHBondContact N-O 3.16Å; K920-D980 HydrophobicContact CB-CB 4.36Å
921N69.4Low85.4Confident146 Ų14666.7 Ų66.778%0.78135%0.35SS*.THydrogen-bonded Turntrans63.725.8-178.4-50.5-28.4000115A919A919-N921 PolarHBondContact O-N 2.74Å
922S76.9Confident85.5Confident36 Ų3668.9 Ų68.925%0.25237%0.365SS..SBendtrans-125.8157.8172.8-179.20000110.5A919 K920A919-S922 PolarHBondContact O-N 2.63Å; K920-S922 VanDerWaalsContact C-N 3.31Å; K920-S922 PolarHBondContact O-N 2.99Å
923E79.6Confident85.5Confident176 Ų17663.8 Ų63.882%0.82234%0.342SS*.  trans-71.4151.6165.6-65.6-173.2168.700110.6
924D85.7Confident85.6Confident111 Ų11166.8 Ų66.859%0.59435%0.35SS*.  trans-69.1133.5178-71.1-18.4000110.8T916 S918T916-D924 HydrophobicContact CG2-CB 4.1Å; S918-D924 WeakPolarHBondContact CB-OD1 3.5Å
925L88.2Confident85.6Confident21 Ų2162 Ų6211%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-103.2115.7-179.9-172.371.6000109.8I907 T916 V917 L927 Q933 M935I907-L925 HydrophobicContact CB-CD2 4.45Å; I907-L925 HydrophobicContact CD1-CD2 4.23Å; T916-L925 CarbonylContact C-O 3.53Å; T916-L925 WeakPolarHBondContact CA-O 3.42Å; V917-L925 HydrophobicContact CB-CB 4.36Å; V917-L925 PolarHBondContact N-O 3.35Å; V917-L925 PolarHBondContact O-N 3.46Å; L925-L927 HydrophobicContact CD2-CD1 4.22Å; L925-L927 HydrophobicContact CD2-CD2 3.99Å; L925-L927 HydrophobicContact CD2-CG 4.15Å; L925-L927 HydrophobicContact CG-CD2 4.08Å; L925-L927 HydrophobicContact CG-CG 4.17Å; L925-Q933 HydrophobicContact CD1-CB 4.04Å; L925-Q933 HydrophobicContact CD2-CB 4.24Å; L925-M935 HydrophobicContact CB-SD 4.48Å; L925-M935 HydrophobicContact CD2-CB 4.32Å
926V89.8Confident85.5Confident60 Ų6064.6 Ų64.636%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-94.9122.6174.4-177.90000109E914 T916E914-V926 HydrophobicContact CG-CG1 3.86Å; E914-V926 WeakPolarHBondContact OE1-CG1 3.24Å; T916-V926 HydrophobicContact CG2-CG2 4.24Å
927L87.6Confident85.4Confident0 Ų063.5 Ų63.50%034%0.343CS..EExtended strand (participates in β ladder)trans-116.8125-178.7-63.8173.1000110.7I907 N909 L915 V917 L925 E931 Q933I907-L927 HydrophobicContact CB-CD1 4.19Å; I907-L927 HydrophobicContact CG2-CD1 3.82Å; N909-L927 HydrophobicContact CB-CB 3.82Å; N909-L927 HydrophobicContact CB-CD1 4.26Å; N909-L927 PolarHBondContact ND2-O 2.92Å; L915-L927 PolarHBondContact N-O 3.06Å; L915-L927 PolarHBondContact O-N 3.21Å; V917-L927 HydrophobicContact CG2-CD1 4.12Å; L925-L927 HydrophobicContact CD2-CD1 4.22Å; L925-L927 HydrophobicContact CD2-CD2 3.99Å; L925-L927 HydrophobicContact CD2-CG 4.15Å; L925-L927 HydrophobicContact CG-CD2 4.08Å; L925-L927 HydrophobicContact CG-CG 4.17Å; L927-E931 HydrophobicContact CD2-CG 4.47Å; L927-Q933 HydrophobicContact CD2-CB 3.71Å; L927-Q933 HydrophobicContact CD2-CG 3.66Å
928H88.9Confident85.2Confident100 Ų10067.9 Ų67.946%0.46336%0.363SS..  trans-75.4163.5169.3-66.6-62.5000111.5N909 S930 E931N909-H928 PolarHBondContact ND2-O 3.19Å; H928-S930 PolarHBondContact O-N 3.39Å; H928-E931 HydrophobicContact CB-CB 4.38Å; H928-E931 WeakPolarHBondContact CB-OE2 3.32Å; H928-E931 IonicContact CD2-OE2 3.91Å; H928-E931 PolarHBondContact CD2-OE2 2.97Å; H928-E931 IonicContact CG-OE2 2.97Å; H928-E931 PolarHBondContact N-OE2 3.49Å; H928-E931 WeakPolarHBondContact O-CB 3.23Å; H928-E931 PolarHBondContact O-N 3.37Å; H928-E931 VanDerWaalsContact O-N 3.08Å
929P85.8Confident85.1Confident60 Ų6066.6 Ų66.639%0.3935%0.354SS..THydrogen-bonded Turntrans-52.7132.8176.8-29.237.4000112.4T911 E912 E931T911-P929 WeakPolarHBondContact O-CA 3.35Å; T911-P929 WeakPolarHBondContact O-CB 3.4Å; E912-P929 WeakPolarHBondContact O-CG 3.48Å; P929-E931 PolarHBondContact O-N 3.47Å
930S83.1Confident85.1Confident90 Ų9070.4 Ų70.463%0.62937%0.372SS*.THydrogen-bonded Turntrans61.918.5-178.1-51.80000115.4F908 N909 H928F908-S930 WeakPolarHBondContact CE2-O 3.29Å; N909-S930 VanDerWaalsContact O-CA 3.3Å; N909-S930 WeakPolarHBondContact O-CA 3.38Å; N909-S930 PolarHBondContact O-N 2.8Å; H928-S930 PolarHBondContact O-N 3.39Å
931E86.7Confident85.5Confident54 Ų5467.5 Ų67.525%0.25236%0.36SS..  trans-90.3143.3176.1-166.4173.3-164.500111.7F908 N909 L927 H928 P929 Q933F908-E931 CarbonylContact C-O 3.57Å; F908-E931 WeakPolarHBondContact CA-O 3.25Å; F908-E931 WeakPolarHBondContact CD2-O 3.43Å; N909-E931 PolarHBondContact N-O 2.78Å; L927-E931 HydrophobicContact CD2-CG 4.47Å; H928-E931 HydrophobicContact CB-CB 4.38Å; H928-E931 WeakPolarHBondContact CB-OE2 3.32Å; H928-E931 IonicContact CD2-OE2 3.91Å; H928-E931 PolarHBondContact CD2-OE2 2.97Å; H928-E931 IonicContact CG-OE2 2.97Å; H928-E931 PolarHBondContact N-OE2 3.49Å; H928-E931 WeakPolarHBondContact O-CB 3.23Å; H928-E931 PolarHBondContact O-N 3.37Å; H928-E931 VanDerWaalsContact O-N 3.08Å; P929-E931 PolarHBondContact O-N 3.47Å; E931-Q933 VanDerWaalsContact CD-NE2 3.34Å; E931-Q933 HydrophobicContact CG-CG 4.15Å; E931-Q933 PolarHBondContact OE1-NE2 3.09Å
932C87.6Confident86.3Confident55 Ų5560.7 Ų60.737%0.37232%0.323SS..EExtended strand (participates in β ladder)trans-121.7120.3172.2-170.40000109.9I907 F908I907-C932 VanDerWaalsContact O-CA 3.31Å; I907-C932 WeakPolarHBondContact O-CA 3.22Å; F908-C932 HydrophobicContact CB-CB 4.27Å; F908-C932 HydrophobicContact CD2-CB 4.03Å
933Q88Confident86.6Confident70 Ų7061.7 Ų61.733%0.32733%0.326SS..EExtended strand (participates in β ladder)trans-129.2153.1174.1-60.1-174.24.500111.6I907 L925 L927 E931I907-Q933 PolarHBondContact N-O 2.98Å; I907-Q933 PolarHBondContact O-N 3.31Å; L925-Q933 HydrophobicContact CD1-CB 4.04Å; L925-Q933 HydrophobicContact CD2-CB 4.24Å; L927-Q933 HydrophobicContact CD2-CB 3.71Å; L927-Q933 HydrophobicContact CD2-CG 3.66Å; E931-Q933 VanDerWaalsContact CD-NE2 3.34Å; E931-Q933 HydrophobicContact CG-CG 4.15Å; E931-Q933 PolarHBondContact OE1-NE2 3.09Å
934R87.9Confident86.6Confident122 Ų12253.7 Ų53.746%0.4629%0.288SS..EExtended strand (participates in β ladder)trans-89.4124.3179.4177.1165.7-73.2171.36.2110.9L905 D906L905-R934 CarbonylContact O-C 3.6Å; L905-R934 WeakPolarHBondContact O-CA 3.42Å; D906-R934 VanDerWaalsContact OD1-CB 3.32Å; D906-R934 WeakPolarHBondContact OD1-CB 3.5Å; D906-R934 WeakPolarHBondContact OD1-CG 3.36Å; D906-R934 IonicContact OD1-CZ 2.89Å; D906-R934 IonicContact OD1-NE 2.59Å; D906-R934 PolarHBondContact OD1-NE 3.38Å; D906-R934 IonicContact OD1-NH2 3.66Å; D906-R934 PolarHBondContact OD1-NH2 3.4Å; D906-R934 VanDerWaalsContact OD1-NH2 3.11Å; D906-R934 IonicContact OD2-CZ 3.27Å; D906-R934 IonicContact OD2-NE 3.6Å; D906-R934 IonicContact OD2-NH2 2.77Å; D906-R934 PolarHBondContact OD2-NH2 3.22Å
935M88.6Confident86Confident6 Ų650.2 Ų50.23%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-102130.9169.5-161.116883.300110.1L904 L905 I907 V917 A919 L925 I937 I981L904-M935 WeakPolarHBondContact CA-O 3.45Å; L905-M935 HydrophobicContact CD1-CE 4.4Å; L905-M935 PolarHBondContact N-O 2.98Å; L905-M935 PolarHBondContact O-N 3.49Å; I907-M935 HydrophobicContact CD1-CB 3.88Å; I907-M935 HydrophobicContact CD1-CE 4Å; I907-M935 HydrophobicContact CD1-SD 3.97Å; I907-M935 HydrophobicContact CG1-CB 4.47Å; V917-M935 HydrophobicContact CG1-SD 4.32Å; A919-M935 HydrophobicContact CB-CE 3.37Å; A919-M935 HydrophobicContact CB-SD 4.28Å; L925-M935 HydrophobicContact CB-SD 4.48Å; L925-M935 HydrophobicContact CD2-CB 4.32Å; M935-I937 HydrophobicContact CE-CD1 3.47Å; M935-I937 VanDerWaalsContact CE-CD1 3.47Å; M935-I937 HydrophobicContact CE-CG1 3.77Å; M935-I937 HydrophobicContact CG-CG1 4.43Å; M935-I981 HydrophobicContact CE-CD1 4.31Å; M935-I981 HydrophobicContact CE-CG2 4.46Å
936A87.7Confident85Confident54 Ų5452.4 Ų52.445%0.44629%0.286SS..EExtended strand (participates in β ladder)trans-112.3116177.300000109.9L904L904-A936 HydrophobicContact CD2-CB 3.53Å
937I88.1Confident84.1Confident2 Ų251.8 Ų51.81%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-111.3119.6-179.3-47.5170.6000108.6H902 L903 L905 A919 M935 V939 L979 I981H902-I937 CarbonylContact C-O 3.59Å; H902-I937 WeakPolarHBondContact CA-O 3.42Å; L903-I937 PolarHBondContact N-O 3.17Å; L903-I937 PolarHBondContact O-N 3.3Å; L905-I937 HydrophobicContact CD1-CD1 3.85Å; A919-I937 HydrophobicContact CB-CD1 3.9Å; A919-I937 HydrophobicContact CB-CG1 4.4Å; M935-I937 HydrophobicContact CE-CD1 3.47Å; M935-I937 VanDerWaalsContact CE-CD1 3.47Å; M935-I937 HydrophobicContact CE-CG1 3.77Å; M935-I937 HydrophobicContact CG-CG1 4.43Å; I937-V939 HydrophobicContact CB-CG1 4.45Å; I937-V939 HydrophobicContact CG2-CG1 3.89Å; I937-V939 PolarHBondContact O-N 2.96Å; I937-L979 HydrophobicContact CD1-CD2 3.89Å; I937-L979 HydrophobicContact CG2-CD2 4.06Å; I937-I981 HydrophobicContact CD1-CD1 4.14Å
938Q86.3Confident82.8Confident93 Ų9357.6 Ų57.644%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-74.4121.5170.8-172.7177.61.500109.3
939V87.6Confident81.3Confident15 Ų1560.4 Ų60.49%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-127.6143.6-178.6-64.30000111.5Q900 C901 L903 I937 L979 L1009Q900-V939 WeakPolarHBondContact CA-O 3.43Å; C901-V939 PolarHBondContact N-O 3.49Å; C901-V939 WeakPolarHBondContact O-CG2 3.4Å; C901-V939 PolarHBondContact O-N 3.26Å; L903-V939 HydrophobicContact CB-CG2 4.29Å; I937-V939 HydrophobicContact CB-CG1 4.45Å; I937-V939 HydrophobicContact CG2-CG1 3.89Å; I937-V939 PolarHBondContact O-N 2.96Å; V939-L979 HydrophobicContact CG1-CD2 3.55Å; V939-L1009 HydrophobicContact CG2-CD2 3.75Å
940D86.8Confident79.9Confident91 Ų9161.9 Ų61.949%0.48734%0.335SS..EExtended strand (participates in β ladder)trans-69.3137.8164.2-60.6-39.7000109.1Q900 F942Q900-D940 WeakPolarHBondContact CG-OD1 3.5Å; Q900-D940 PolarHBondContact NE2-OD1 3.06Å; D940-F942 WeakPolarHBondContact O-CD2 3.39Å
941K85.8Confident78.4Confident56 Ų5664 Ų6424%0.24334%0.34CS..PPolyproline II helixtrans-61142.1172.6-70-177.3179.3173.30110.3T898 R899 H1008 L1009 L1011T898-K941 WeakPolarHBondContact O-CD 3.38Å; T898-K941 WeakPolarHBondContact O-CE 3.33Å; T898-K941 PolarHBondContact O-NZ 3.42Å; R899-K941 WeakPolarHBondContact O-CB 3.48Å; R899-K941 PolarHBondContact O-N 2.89Å; K941-H1008 WeakPolarHBondContact CE-O 3.27Å; K941-L1009 CarbonylContact C-O 3.56Å; K941-L1009 VanDerWaalsContact CA-O 3.22Å; K941-L1009 WeakPolarHBondContact CA-O 3.27Å; K941-L1009 WeakPolarHBondContact CB-O 3.47Å; K941-L1011 HydrophobicContact CB-CB 3.97Å; K941-L1011 HydrophobicContact CB-CD1 3.97Å
942F85.9Confident76.6Confident3 Ų369.1 Ų69.11%0.01336%0.364CS..BIsolated β-bridgetrans-91.5132-170.6-67-102.4000111.4D940 F944 Q974 I975 K978 L1009 L1011D940-F942 WeakPolarHBondContact O-CD2 3.39Å; F942-F944 HydrophobicContact CB-CD1 3.99Å; F942-F944 HydrophobicContact CB-CE1 3.45Å; F942-F944 VanDerWaalsContact CB-CE1 3.45Å; F942-F944 HydrophobicContact CB-CE2 4.04Å; F942-F944 HydrophobicContact CB-CG 4.5Å; F942-F944 HydrophobicContact CB-CZ 3.46Å; F942-F944 VanDerWaalsContact CB-CZ 3.46Å; F942-F944 HydrophobicContact CD1-CE1 4.34Å; F942-F944 HydrophobicContact CD2-CZ 4.44Å; F942-F944 HydrophobicContact CG-CE1 4.01Å; F942-F944 HydrophobicContact CG-CZ 4.01Å; F942-F944 PolarHBondContact O-N 3.23Å; F942-Q974 HydrophobicContact CD1-CG 4.26Å; F942-I975 HydrophobicContact CD1-CG1 4.25Å; F942-I975 HydrophobicContact CD2-CG1 4.26Å; F942-I975 HydrophobicContact CE1-CB 4.4Å; F942-I975 HydrophobicContact CE1-CG1 4.04Å; F942-I975 HydrophobicContact CE2-CG1 4.07Å; F942-I975 HydrophobicContact CG-CG1 4.36Å; F942-I975 HydrophobicContact CZ-CB 4.24Å; F942-I975 HydrophobicContact CZ-CG1 3.96Å; F942-I975 HydrophobicContact CZ-CG2 4.3Å; F942-K978 HydrophobicContact CD1-CD 4.29Å; F942-K978 HydrophobicContact CE1-CB 3.97Å; F942-K978 HydrophobicContact CE1-CD 3.52Å; F942-K978 HydrophobicContact CE1-CG 3.85Å; F942-K978 HydrophobicContact CZ-CB 4.07Å; F942-K978 HydrophobicContact CZ-CD 4.05Å; F942-K978 HydrophobicContact CZ-CG 4.41Å; F942-L1009 HydrophobicContact CD2-CB 4.33Å; F942-L1009 PolarHBondContact N-O 3.28Å; F942-L1011 PolarHBondContact O-N 2.65Å
943D82.9Confident74.7Confident57 Ų5774.2 Ų74.231%0.30538%0.382SS..  trans-81.297.5165173.223.2000109.4E945 S946D943-E945 VanDerWaalsContact C-N 3.34Å; D943-E945 WeakPolarHBondContact OD1-CB 3.38Å; D943-E945 PolarHBondContact OD1-N 3.03Å; D943-S946 VanDerWaalsContact CG-OG 3.31Å; D943-S946 PolarHBondContact O-OG 3.07Å; D943-S946 PolarHBondContact OD1-N 2.6Å; D943-S946 WeakPolarHBondContact OD2-CB 3.47Å; D943-S946 PolarHBondContact OD2-OG 3.48Å
944F80.6Confident72.8Confident7 Ų773.6 Ų73.63%0.03139%0.388CS..  trans-83-9.5174.6-60.8-50.1000113.3F942 S946 L947 Q971 I975 Q1010F942-F944 HydrophobicContact CB-CD1 3.99Å; F942-F944 HydrophobicContact CB-CE1 3.45Å; F942-F944 VanDerWaalsContact CB-CE1 3.45Å; F942-F944 HydrophobicContact CB-CE2 4.04Å; F942-F944 HydrophobicContact CB-CG 4.5Å; F942-F944 HydrophobicContact CB-CZ 3.46Å; F942-F944 VanDerWaalsContact CB-CZ 3.46Å; F942-F944 HydrophobicContact CD1-CE1 4.34Å; F942-F944 HydrophobicContact CD2-CZ 4.44Å; F942-F944 HydrophobicContact CG-CE1 4.01Å; F942-F944 HydrophobicContact CG-CZ 4.01Å; F942-F944 PolarHBondContact O-N 3.23Å; F944-S946 VanDerWaalsContact C-N 3.35Å; F944-L947 HydrophobicContact CB-CD1 4.41Å; F944-L947 HydrophobicContact CD1-CD1 4.19Å; F944-Q971 HydrophobicContact CB-CG 4.27Å; F944-Q971 HydrophobicContact CD1-CB 4.02Å; F944-Q971 HydrophobicContact CD1-CG 3.63Å; F944-Q971 HydrophobicContact CD2-CG 4.39Å; F944-Q971 HydrophobicContact CE1-CB 3.87Å; F944-Q971 HydrophobicContact CE1-CG 4.01Å; F944-Q971 HydrophobicContact CG-CG 3.85Å; F944-Q971 HydrophobicContact CZ-CB 4.33Å; F944-I975 HydrophobicContact CE1-CD1 4.34Å; F944-I975 HydrophobicContact CE1-CG1 4.24Å; F944-I975 HydrophobicContact CZ-CD1 3.9Å; F944-I975 HydrophobicContact CZ-CG1 4.13Å; F944-Q1010 HydrophobicContact CD2-CB 3.85Å; F944-Q1010 HydrophobicContact CD2-CG 3.85Å; F944-Q1010 HydrophobicContact CE2-CB 3.95Å; F944-Q1010 HydrophobicContact CE2-CG 4.45Å
945E72.5Confident71Confident39 Ų3970 Ų7018%0.18239%0.385CS..THydrogen-bonded Turntrans-77-23.9-178.9-71.6-61.5152.200112.1D943 L947 R967 K1050D943-E945 VanDerWaalsContact C-N 3.34Å; D943-E945 WeakPolarHBondContact OD1-CB 3.38Å; D943-E945 PolarHBondContact OD1-N 3.03Å; E945-L947 VanDerWaalsContact C-N 3.34Å; E945-L947 PolarHBondContact O-N 2.69Å; E945-R967 IonicContact OE1-NH2 3.51Å; E945-K1050 WeakPolarHBondContact O-CE 3.35Å; E945-K1050 PolarHBondContact O-NZ 2.89Å; E945-K1050 WeakPolarHBondContact OE2-CE 3.27Å; E945-K1050 IonicContact OE2-NZ 3.45Å
946S67.6Low69.2Low67 Ų6779 Ų7947%0.46942%0.418SS..THydrogen-bonded Turntrans-80.9-3.1176.953.50000115.5D943 F944D943-S946 VanDerWaalsContact CG-OG 3.31Å; D943-S946 PolarHBondContact O-OG 3.07Å; D943-S946 PolarHBondContact OD1-N 2.6Å; D943-S946 WeakPolarHBondContact OD2-CB 3.47Å; D943-S946 PolarHBondContact OD2-OG 3.48Å; F944-S946 VanDerWaalsContact C-N 3.35Å
947L70.1Confident67.4Low46 Ų4685.7 Ų85.724%0.24144%0.438CS..SBendtrans-65.1136.9175.4-70.9169.8000111F944 E945 Q949 Q971F944-L947 HydrophobicContact CB-CD1 4.41Å; F944-L947 HydrophobicContact CD1-CD1 4.19Å; E945-L947 VanDerWaalsContact C-N 3.34Å; E945-L947 PolarHBondContact O-N 2.69Å; L947-Q949 PolarHBondContact O-N 2.92Å; L947-Q971 HydrophobicContact CD1-CG 4.05Å
948P61.1Low65.7Low123 Ų12387.2 Ų87.280%0.79945%0.449SS*.PPolyproline II helixtrans-56.5134.7177.9-20.430000111.5
949Q57.7Low64.6Low158 Ų15885.1 Ų85.174%0.73844%0.444SS*.PPolyproline II helixtrans-74.7140.1170.1-74.4179.4-17.100109.8L947L947-Q949 PolarHBondContact O-N 2.92Å
950L56.3Low63.6Low92 Ų9290.1 Ų90.148%0.48248%0.477SS..PPolyproline II helixtrans-54.9141.9174.4-85.5136.1000111.6Q952 E966L950-Q952 PolarHBondContact O-N 3.46Å; L950-E966 HydrophobicContact CD1-CB 4.27Å; L950-E966 VanDerWaalsContact CD1-OE2 3.23Å; L950-E966 WeakPolarHBondContact CD1-OE2 3.37Å
951D51.3Low62.6Low135 Ų13593.6 Ų93.672%0.72249%0.488SS*.PPolyproline II helixtrans-49.8132.9177.1-92.8-32.2000111.7E953 A954 A955D951-E953 PolarHBondContact O-N 3.47Å; D951-A954 PolarHBondContact O-N 3.17Å; D951-A955 PolarHBondContact O-N 2.98Å
952Q49.5Very low61.7Low161 Ų16195.4 Ų95.475%0.75250%0.497SS*.THydrogen-bonded Turntrans-60.5-15.6-175.2-73.9-177.210.500114.2L950L950-Q952 PolarHBondContact O-N 3.46Å
953E47.4Very low60.8Low162 Ų16298.6 Ų98.676%0.75751%0.514SS*.THydrogen-bonded Turntrans-80.1-33.6174.8-68.9-167.3155.700113.1D951D951-E953 PolarHBondContact O-N 3.47Å
954A46.8Very low60.2Low56 Ų5699.5 Ų99.546%0.46352%0.516SS..G310 helixtrans-73.2-32.8176.900000112D951 R956 S958D951-A954 PolarHBondContact O-N 3.17Å; A954-R956 VanDerWaalsContact C-N 3.28Å; A954-R956 PolarHBondContact O-N 3.44Å; A954-S958 PolarHBondContact O-OG 2.88Å; A954-S958 VanDerWaalsContact O-OG 3.08Å
955A49.9Very low59.7Low46 Ų46104.4 Ų104.438%0.3854%0.539SS..G310 helixtrans-70.7-14-177.700000114.9D951 F957D951-A955 PolarHBondContact O-N 2.98Å; A955-F957 VanDerWaalsContact C-N 3.33Å; A955-F957 PolarHBondContact O-N 3.15Å
956R52.4Low59.7Low196 Ų196106.7 Ų106.774%0.7455%0.55SS*.G310 helixtrans-77.5-15.3-177.4-73.6-176.4-176.2174.23.4114.3A954A954-R956 VanDerWaalsContact C-N 3.28Å; A954-R956 PolarHBondContact O-N 3.44Å
957F48.8Very low60Low194 Ų194108.8 Ų108.885%0.85155%0.548SS*.SBendtrans-123.40.2-172.7-64.1-77.1000114.5A955A955-F957 VanDerWaalsContact C-N 3.33Å; A955-F957 PolarHBondContact O-N 3.15Å
958S51.9Low60.3Low35 Ų35110 Ų11025%0.24555%0.552CS.*SBendtrans-100.1143-177.730.50000112.6A954A954-S958 PolarHBondContact O-OG 2.88Å; A954-S958 VanDerWaalsContact O-OG 3.08Å
959S64.1Low61.1Low48 Ų48107.4 Ų107.434%0.33653%0.529SS..  trans-73.8154.1178.669.20000111.6K961 Q962 L963S959-K961 PolarHBondContact O-N 3.3Å; S959-K961 VanDerWaalsContact O-N 3.09Å; S959-Q962 PolarHBondContact O-N 3.45Å; S959-Q962 WeakPolarHBondContact OG-CG 3.33Å; S959-Q962 PolarHBondContact OG-N 3.26Å; S959-Q962 PolarHBondContact OG-OE1 3.43Å; S959-Q962 VanDerWaalsContact OG-OE1 3.06Å; S959-L963 PolarHBondContact O-N 3.11Å; S959-L963 VanDerWaalsContact O-N 3.15Å
960P66Low62.1Low120 Ų120101.9 Ų101.978%0.77951%0.511SS*.Hα-helixtrans-56.1-30.1178.4-24.532.5000114E964P960-E964 PolarHBondContact O-N 3.41Å
961K66.1Low63.4Low164 Ų16498 Ų9871%0.71349%0.49SS*.Hα-helixtrans-70.2-41.5175.2-77.2-172.1172.8-172.20112.7S959 L963 E964 E965S959-K961 PolarHBondContact O-N 3.3Å; S959-K961 VanDerWaalsContact O-N 3.09Å; K961-L963 VanDerWaalsContact C-N 3.32Å; K961-L963 PolarHBondContact O-N 2.66Å; K961-E964 PolarHBondContact O-N 3.01Å; K961-E965 WeakPolarHBondContact O-CG 3.5Å; K961-E965 PolarHBondContact O-N 3.46Å
962Q65.9Low64.9Low95 Ų9591.6 Ų91.644%0.44446%0.456SS..Hα-helixtrans-65.7-37.8178.4-76.3166.1-34.800111.6S959 E964 E965 E966S959-Q962 PolarHBondContact O-N 3.45Å; S959-Q962 WeakPolarHBondContact OG-CG 3.33Å; S959-Q962 PolarHBondContact OG-N 3.26Å; S959-Q962 PolarHBondContact OG-OE1 3.43Å; S959-Q962 VanDerWaalsContact OG-OE1 3.06Å; Q962-E964 VanDerWaalsContact C-N 3.34Å; Q962-E964 PolarHBondContact O-N 3.29Å; Q962-E965 PolarHBondContact O-N 3.02Å; Q962-E966 WeakPolarHBondContact O-CB 3.17Å; Q962-E966 WeakPolarHBondContact O-CG 3.26Å; Q962-E966 PolarHBondContact O-N 2.96Å
963L67.3Low66.3Low70 Ų7086 Ų8637%0.36644%0.435SS..Hα-helixtrans-66.4-35.8177.7-125.4128.2000112.3S959 K961 R967S959-L963 PolarHBondContact O-N 3.11Å; S959-L963 VanDerWaalsContact O-N 3.15Å; K961-L963 VanDerWaalsContact C-N 3.32Å; K961-L963 PolarHBondContact O-N 2.66Å; L963-R967 WeakPolarHBondContact O-CB 3.26Å; L963-R967 PolarHBondContact O-N 3.46Å; L963-R967 VanDerWaalsContact O-N 3.07Å
964E71.1Confident68.1Low75 Ų7580.6 Ų80.635%0.3541%0.409SS..Hα-helixtrans-72.4-39.1174.7-168.961.5-158.200111.9P960 K961 Q962 R967 Q968P960-E964 PolarHBondContact O-N 3.41Å; K961-E964 PolarHBondContact O-N 3.01Å; Q962-E964 VanDerWaalsContact C-N 3.34Å; Q962-E964 PolarHBondContact O-N 3.29Å; E964-R967 PolarHBondContact O-N 3.36Å; E964-Q968 WeakPolarHBondContact O-CG 3.33Å; E964-Q968 PolarHBondContact O-N 2.97Å
965E70.9Confident69.9Low110 Ų11078 Ų7851%0.51439%0.387SS..Hα-helixtrans-63.4-40.8173.8-74.9173-176.700112.1K961 Q962 Q968 H969K961-E965 WeakPolarHBondContact O-CG 3.5Å; K961-E965 PolarHBondContact O-N 3.46Å; Q962-E965 PolarHBondContact O-N 3.02Å; E965-Q968 PolarHBondContact O-N 3.15Å; E965-H969 VanDerWaalsContact O-CB 3.28Å; E965-H969 WeakPolarHBondContact O-CB 3.35Å; E965-H969 PolarHBondContact O-N 2.9Å
966E71.6Confident71.6Confident87 Ų8775.9 Ų75.941%0.40737%0.37SS..Hα-helixtrans-65.3-38173.8-77175.9175.300112L950 Q962 H969 A970L950-E966 HydrophobicContact CD1-CB 4.27Å; L950-E966 VanDerWaalsContact CD1-OE2 3.23Å; L950-E966 WeakPolarHBondContact CD1-OE2 3.37Å; Q962-E966 WeakPolarHBondContact O-CB 3.17Å; Q962-E966 WeakPolarHBondContact O-CG 3.26Å; Q962-E966 PolarHBondContact O-N 2.96Å; E966-H969 WeakPolarHBondContact O-CB 3.49Å; E966-H969 PolarHBondContact O-N 3.38Å; E966-A970 WeakPolarHBondContact O-CB 3.23Å; E966-A970 PolarHBondContact O-N 3Å
967R74.6Confident73Confident112 Ų11270.5 Ų70.542%0.42336%0.362SS..Hα-helixtrans-65.1-48.2175-174.9-175.1177.2171.82.8111.5E945 L963 E964 H969 A970 Q971E945-R967 IonicContact OE1-NH2 3.51Å; L963-R967 WeakPolarHBondContact O-CB 3.26Å; L963-R967 PolarHBondContact O-N 3.46Å; L963-R967 VanDerWaalsContact O-N 3.07Å; E964-R967 PolarHBondContact O-N 3.36Å; R967-H969 VanDerWaalsContact C-N 3.31Å; R967-H969 PolarHBondContact O-N 2.96Å; R967-A970 PolarHBondContact O-N 2.92Å; R967-Q971 WeakPolarHBondContact O-CG 2.91Å; R967-Q971 PolarHBondContact O-N 3.44Å
968Q75.9Confident74.7Confident71 Ų7166 Ų6633%0.33234%0.342SS..Hα-helixtrans-61.9-38.7175.6-75.1-178.3-800111.5E964 E965 Q971 G972 L1006E964-Q968 WeakPolarHBondContact O-CG 3.33Å; E964-Q968 PolarHBondContact O-N 2.97Å; E965-Q968 PolarHBondContact O-N 3.15Å; Q968-Q971 PolarHBondContact O-N 3.18Å; Q968-G972 PolarHBondContact O-N 3.04Å; Q968-L1006 HydrophobicContact CG-CD1 4.28Å
969H78Confident76.3Confident68 Ų6864.4 Ų64.432%0.31533%0.331SS..Hα-helixtrans-59.7-47173.8-177.166.4000111.9E965 E966 R967 G972 C973 E998E965-H969 VanDerWaalsContact O-CB 3.28Å; E965-H969 WeakPolarHBondContact O-CB 3.35Å; E965-H969 PolarHBondContact O-N 2.9Å; E966-H969 WeakPolarHBondContact O-CB 3.49Å; E966-H969 PolarHBondContact O-N 3.38Å; R967-H969 VanDerWaalsContact C-N 3.31Å; R967-H969 PolarHBondContact O-N 2.96Å; H969-G972 PolarHBondContact O-N 2.94Å; H969-C973 WeakPolarHBondContact O-CB 3.36Å; H969-C973 PolarHBondContact O-N 3.48Å; H969-C973 PolarHBondContact O-SG 3.44Å; H969-E998 IonicContact CE1-OE1 3.64Å; H969-E998 PolarHBondContact CE1-OE1 3.49Å; H969-E998 IonicContact CE1-OE2 4Å; H969-E998 IonicContact CG-OE1 3.51Å; H969-E998 IonicContact ND1-OE1 2.67Å; H969-E998 PolarHBondContact ND1-OE1 2.79Å; H969-E998 IonicContact ND1-OE2 2.78Å
970A77.6Confident77.3Confident43 Ų4366.2 Ų66.236%0.35534%0.337SS..Hα-helixtrans-63.7-42.4178.300000112.4E966 R967 C973 Q974E966-A970 WeakPolarHBondContact O-CB 3.23Å; E966-A970 PolarHBondContact O-N 3Å; R967-A970 PolarHBondContact O-N 2.92Å; A970-C973 PolarHBondContact O-N 3.46Å; A970-Q974 PolarHBondContact O-N 2.98Å; A970-Q974 VanDerWaalsContact O-N 3.09Å
971Q84.1Confident78.5Confident9 Ų960.5 Ų60.54%0.04230%0.3CS..Hα-helixtrans-63-48175.2-69.4175.3-2600111.4F944 L947 R967 Q968 C973 Q974 I975 L1006F944-Q971 HydrophobicContact CB-CG 4.27Å; F944-Q971 HydrophobicContact CD1-CB 4.02Å; F944-Q971 HydrophobicContact CD1-CG 3.63Å; F944-Q971 HydrophobicContact CD2-CG 4.39Å; F944-Q971 HydrophobicContact CE1-CB 3.87Å; F944-Q971 HydrophobicContact CE1-CG 4.01Å; F944-Q971 HydrophobicContact CG-CG 3.85Å; F944-Q971 HydrophobicContact CZ-CB 4.33Å; L947-Q971 HydrophobicContact CD1-CG 4.05Å; R967-Q971 WeakPolarHBondContact O-CG 2.91Å; R967-Q971 PolarHBondContact O-N 3.44Å; Q968-Q971 PolarHBondContact O-N 3.18Å; Q971-C973 VanDerWaalsContact C-N 3.33Å; Q971-C973 PolarHBondContact O-N 3.27Å; Q971-Q974 PolarHBondContact O-N 3.46Å; Q971-I975 WeakPolarHBondContact O-CG1 3.48Å; Q971-I975 PolarHBondContact O-N 2.97Å; Q971-L1006 HydrophobicContact CB-CD2 4.44Å
972G82.8Confident79.6Confident1 Ų154.7 Ų54.71%0.0128%0.279CS..Hα-helixtrans-62.2-37.3177.500000113Q968 H969 I975 N976Q968-G972 PolarHBondContact O-N 3.04Å; H969-G972 PolarHBondContact O-N 2.94Å; G972-I975 PolarHBondContact O-N 3.39Å; G972-N976 WeakPolarHBondContact O-CB 3.5Å; G972-N976 PolarHBondContact O-N 3.06Å
973C80.3Confident80.9Confident45 Ų4550.2 Ų50.230%0.30426%0.258SS..Hα-helixtrans-63.2-43.6172.9-73.50000112.5H969 A970 Q971 I975 N976 S977H969-C973 WeakPolarHBondContact O-CB 3.36Å; H969-C973 PolarHBondContact O-N 3.48Å; H969-C973 PolarHBondContact O-SG 3.44Å; A970-C973 PolarHBondContact O-N 3.46Å; Q971-C973 VanDerWaalsContact C-N 3.33Å; Q971-C973 PolarHBondContact O-N 3.27Å; C973-I975 VanDerWaalsContact C-N 3.34Å; C973-N976 PolarHBondContact O-N 3.12Å; C973-S977 PolarHBondContact O-N 2.98Å
974Q83.6Confident82Confident47 Ų4748.8 Ų48.822%0.2225%0.254CS..Hα-helixtrans-62.8-42.5176.9-169.8-176.413.600111.2F942 A970 Q971 S977 K978F942-Q974 HydrophobicContact CD1-CG 4.26Å; A970-Q974 PolarHBondContact O-N 2.98Å; A970-Q974 VanDerWaalsContact O-N 3.09Å; Q971-Q974 PolarHBondContact O-N 3.46Å; Q974-S977 PolarHBondContact O-OG 3.15Å; Q974-K978 PolarHBondContact O-N 3.18Å
975I85.9Confident82.8Confident1 Ų145.2 Ų45.21%0.00524%0.238CC..Hα-helixtrans-61.1-50.5174.8-65.5162.7000110.2F942 F944 Q971 G972 C973 S977 K978 L979 V997 L1001 L1006 L1009F942-I975 HydrophobicContact CD1-CG1 4.25Å; F942-I975 HydrophobicContact CD2-CG1 4.26Å; F942-I975 HydrophobicContact CE1-CB 4.4Å; F942-I975 HydrophobicContact CE1-CG1 4.04Å; F942-I975 HydrophobicContact CE2-CG1 4.07Å; F942-I975 HydrophobicContact CG-CG1 4.36Å; F942-I975 HydrophobicContact CZ-CB 4.24Å; F942-I975 HydrophobicContact CZ-CG1 3.96Å; F942-I975 HydrophobicContact CZ-CG2 4.3Å; F944-I975 HydrophobicContact CE1-CD1 4.34Å; F944-I975 HydrophobicContact CE1-CG1 4.24Å; F944-I975 HydrophobicContact CZ-CD1 3.9Å; F944-I975 HydrophobicContact CZ-CG1 4.13Å; Q971-I975 WeakPolarHBondContact O-CG1 3.48Å; Q971-I975 PolarHBondContact O-N 2.97Å; G972-I975 PolarHBondContact O-N 3.39Å; C973-I975 VanDerWaalsContact C-N 3.34Å; I975-S977 VanDerWaalsContact C-N 3.3Å; I975-S977 PolarHBondContact O-N 3.36Å; I975-K978 PolarHBondContact O-N 3.22Å; I975-L979 HydrophobicContact CG2-CD1 3.56Å; I975-L979 HydrophobicContact CG2-CG 4.04Å; I975-L979 WeakPolarHBondContact O-CG 3.44Å; I975-L979 PolarHBondContact O-N 3.37Å; I975-V997 HydrophobicContact CG2-CG2 4.02Å; I975-L1001 HydrophobicContact CB-CD1 4.46Å; I975-L1001 HydrophobicContact CD1-CD1 3.55Å; I975-L1001 HydrophobicContact CG2-CD1 4.34Å; I975-L1006 HydrophobicContact CD1-CD2 3.59Å; I975-L1009 HydrophobicContact CD1-CD1 3.98Å
976N85.1Confident83.3Confident3 Ų345.4 Ų45.42%0.01624%0.241CC..Hα-helixtrans-57.3-43.8-178.2-145.360.5000112.3G972 C973 K978 L979 D980 E994 A995 S996 V997G972-N976 WeakPolarHBondContact O-CB 3.5Å; G972-N976 PolarHBondContact O-N 3.06Å; C973-N976 PolarHBondContact O-N 3.12Å; N976-K978 PolarHBondContact O-N 2.99Å; N976-L979 PolarHBondContact O-N 3.12Å; N976-D980 PolarHBondContact O-N 2.92Å; N976-E994 PolarHBondContact ND2-OE1 3.25Å; N976-A995 PolarHBondContact OD1-O 3.33Å; N976-S996 PolarHBondContact ND2-OG 3.36Å; N976-S996 VanDerWaalsContact OD1-CA 3.26Å; N976-S996 WeakPolarHBondContact OD1-CA 3.37Å; N976-S996 PolarHBondContact OD1-OG 2.81Å; N976-V997 PolarHBondContact OD1-N 2.6Å
977S82.8Confident83.8Confident82 Ų8245.1 Ų45.157%0.57325%0.249SC*.Hα-helixtrans-63-25.6179.673.50000114C973 Q974 I975C973-S977 PolarHBondContact O-N 2.98Å; Q974-S977 PolarHBondContact O-OG 3.15Å; I975-S977 VanDerWaalsContact C-N 3.3Å; I975-S977 PolarHBondContact O-N 3.36Å
978K83.1Confident84.1Confident99 Ų9942.3 Ų42.343%0.4324%0.241SC..Hα-helixtrans-88.8-33.1176.6-73-151.8-171.7176.90112.9K920 F942 Q974 I975 N976K920-K978 WeakPolarHBondContact CD-O 3.46Å; F942-K978 HydrophobicContact CD1-CD 4.29Å; F942-K978 HydrophobicContact CE1-CB 3.97Å; F942-K978 HydrophobicContact CE1-CD 3.52Å; F942-K978 HydrophobicContact CE1-CG 3.85Å; F942-K978 HydrophobicContact CZ-CB 4.07Å; F942-K978 HydrophobicContact CZ-CD 4.05Å; F942-K978 HydrophobicContact CZ-CG 4.41Å; Q974-K978 PolarHBondContact O-N 3.18Å; I975-K978 PolarHBondContact O-N 3.22Å; N976-K978 PolarHBondContact O-N 2.99Å
979L85.9Confident84.1Confident2 Ų248.2 Ų48.21%0.0127%0.269CS..Hα-helixtrans-75-37.5179.2-65.1178.6000112.4L903 K920 I937 V939 I975 N976 I981 V997L903-L979 HydrophobicContact CD2-CD1 3.65Å; L903-L979 HydrophobicContact CD2-CD2 4.04Å; K920-L979 WeakPolarHBondContact CB-O 3.37Å; K920-L979 PolarHBondContact N-O 3.16Å; I937-L979 HydrophobicContact CD1-CD2 3.89Å; I937-L979 HydrophobicContact CG2-CD2 4.06Å; V939-L979 HydrophobicContact CG1-CD2 3.55Å; I975-L979 HydrophobicContact CG2-CD1 3.56Å; I975-L979 HydrophobicContact CG2-CG 4.04Å; I975-L979 WeakPolarHBondContact O-CG 3.44Å; I975-L979 PolarHBondContact O-N 3.37Å; N976-L979 PolarHBondContact O-N 3.12Å; L979-I981 VanDerWaalsContact C-N 3.31Å; L979-I981 HydrophobicContact CB-CD1 4.25Å; L979-I981 HydrophobicContact CB-CG1 3.83Å; L979-I981 HydrophobicContact CD1-CD1 4.25Å; L979-I981 PolarHBondContact O-N 3.16Å; L979-V997 HydrophobicContact CD1-CG1 4.21Å; L979-V997 HydrophobicContact CD1-CG2 3.77Å
980D85.9Confident84Confident86 Ų8654.2 Ų54.246%0.4629%0.289SS..  trans50.447.3177.8-16025.6000113.1K920 N976 C982K920-D980 HydrophobicContact CB-CB 4.36Å; N976-D980 PolarHBondContact O-N 2.92Å; D980-C982 PolarHBondContact O-N 3.22Å
981I89.7Confident84.5Confident0 Ų055.9 Ų55.90%029%0.286CS..  trans-75.7117.4-176.2-49.7-177.1000109.3F887 L905 V917 S918 A919 M935 I937 L979 A995 V997F887-I981 HydrophobicContact CE1-CD1 4.43Å; F887-I981 HydrophobicContact CZ-CD1 4.19Å; L905-I981 HydrophobicContact CD1-CD1 3.43Å; L905-I981 VanDerWaalsContact CD1-CD1 3.43Å; V917-I981 HydrophobicContact CG1-CG2 3.54Å; S918-I981 CarbonylContact O-C 3.56Å; S918-I981 VanDerWaalsContact O-CA 3.3Å; S918-I981 WeakPolarHBondContact O-CA 3.37Å; A919-I981 HydrophobicContact CB-CG1 4.06Å; M935-I981 HydrophobicContact CE-CD1 4.31Å; M935-I981 HydrophobicContact CE-CG2 4.46Å; I937-I981 HydrophobicContact CD1-CD1 4.14Å; L979-I981 VanDerWaalsContact C-N 3.31Å; L979-I981 HydrophobicContact CB-CD1 4.25Å; L979-I981 HydrophobicContact CB-CG1 3.83Å; L979-I981 HydrophobicContact CD1-CD1 4.25Å; L979-I981 PolarHBondContact O-N 3.16Å; I981-A995 HydrophobicContact CB-CB 4.28Å; I981-A995 HydrophobicContact CG2-CB 3.93Å; I981-A995 PolarHBondContact O-N 3.42Å; I981-V997 HydrophobicContact CD1-CG1 3.84Å
982C90.3Very high84.8Confident42 Ų4261.7 Ų61.728%0.28431%0.313SS..EExtended strand (participates in β ladder)trans-122.6139-179.7-66.30000110.6V917 S918 D980 G993V917-C982 CarbonylContact C-O 3.5Å; V917-C982 WeakPolarHBondContact CA-O 3.45Å; S918-C982 PolarHBondContact N-O 3.02Å; S918-C982 PolarHBondContact O-N 3.44Å; S918-C982 PolarHBondContact OG-O 3.13Å; D980-C982 PolarHBondContact O-N 3.22Å; C982-G993 CarbonylContact C-O 3.52Å; C982-G993 WeakPolarHBondContact CA-O 3.49Å
983W91.9Very high85.1Confident1 Ų162 Ų620%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-110.5150.6172.261.6-96.3000110.9F726 N727 E729 S884 V885 L915 T916 V917 I985 H992 G993F726-W983 HydrophobicContact CB-CH2 3.41Å; F726-W983 VanDerWaalsContact CB-CH2 3.41Å; F726-W983 HydrophobicContact CB-CZ2 3.65Å; F726-W983 HydrophobicContact CB-CZ3 4.38Å; F726-W983 HydrophobicContact CD2-CH2 4.35Å; F726-W983 HydrophobicContact CG-CH2 4.08Å; N727-W983 VanDerWaalsContact O-CZ2 3.26Å; N727-W983 WeakPolarHBondContact O-CZ2 3.4Å; N727-W983 PolarHBondContact O-NE1 2.81Å; E729-W983 HydrophobicContact CB-CH2 4.28Å; E729-W983 HydrophobicContact CB-CZ2 4.25Å; S884-W983 VanDerWaalsContact CB-CE2 3.44Å; S884-W983 PolarHBondContact OG-NE1 3.44Å; V885-W983 HydrophobicContact CG1-CB 4.13Å; V885-W983 HydrophobicContact CG1-CG 4.32Å; L915-W983 HydrophobicContact CD1-CB 4.02Å; L915-W983 HydrophobicContact CD1-CD2 4.2Å; L915-W983 HydrophobicContact CD1-CE3 3.92Å; L915-W983 HydrophobicContact CD1-CG 4.26Å; L915-W983 HydrophobicContact CD2-CB 3.89Å; L915-W983 HydrophobicContact CG-CB 4.07Å; T916-W983 CarbonylContact O-C 3.59Å; T916-W983 VanDerWaalsContact O-CA 3.24Å; T916-W983 WeakPolarHBondContact O-CA 3.41Å; V917-W983 HydrophobicContact CG2-CB 4.46Å; W983-I985 HydrophobicContact CE3-CD1 4.25Å; W983-I985 HydrophobicContact CE3-CG1 4.02Å; W983-I985 HydrophobicContact CZ3-CD1 3.86Å; W983-I985 HydrophobicContact CZ3-CG1 3.94Å; W983-H992 CarbonylContact O-C 3.42Å; W983-H992 WeakPolarHBondContact O-CA 3.35Å; W983-H992 WeakPolarHBondContact O-CB 3.48Å; W983-G993 VanDerWaalsContact CE2-CA 3.49Å; W983-G993 PolarHBondContact N-O 3.25Å; W983-G993 PolarHBondContact O-N 2.79Å
984S90.4Very high85.6Confident41 Ų4162.1 Ų62.129%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-141.2140.3173.870.70000112.3L915 T916 R991L915-S984 WeakPolarHBondContact CA-O 3.32Å; T916-S984 PolarHBondContact N-O 2.85Å; T916-S984 PolarHBondContact O-N 3.04Å; S984-R991 WeakPolarHBondContact CA-O 3.43Å
985I88.7Confident85.8Confident0 Ų059.9 Ų59.90%030%0.302CS..EExtended strand (participates in β ladder)trans-118105.4176.4-58.4172.4000107.6F726 T911 H913 L915 W983 S987 L988 R990 R991F726-I985 HydrophobicContact CE1-CD1 4.46Å; F726-I985 HydrophobicContact CE2-CD1 4.4Å; F726-I985 HydrophobicContact CZ-CD1 4.35Å; T911-I985 HydrophobicContact CG2-CD1 4.25Å; H913-I985 HydrophobicContact CB-CG2 3.59Å; L915-I985 HydrophobicContact CB-CG1 4.29Å; L915-I985 HydrophobicContact CD1-CD1 4.13Å; L915-I985 HydrophobicContact CD1-CG1 3.89Å; L915-I985 HydrophobicContact CG-CG1 4.25Å; W983-I985 HydrophobicContact CE3-CD1 4.25Å; W983-I985 HydrophobicContact CE3-CG1 4.02Å; W983-I985 HydrophobicContact CZ3-CD1 3.86Å; W983-I985 HydrophobicContact CZ3-CG1 3.94Å; I985-S987 WeakPolarHBondContact CG2-OG 3.46Å; I985-L988 HydrophobicContact CG2-CB 4.19Å; I985-L988 HydrophobicContact CG2-CD1 4.26Å; I985-L988 HydrophobicContact CG2-CG 4.1Å; I985-R990 WeakPolarHBondContact O-CA 3.27Å; I985-R991 PolarHBondContact N-O 3.23Å; I985-R991 PolarHBondContact O-N 2.94Å
986I82Confident85.9Confident114 Ų11460 Ų6059%0.58530%0.302SS*.THydrogen-bonded Turntrans-72-35.2-172.6-60.2174.3000111.4L988I986-L988 PolarHBondContact O-N 3.42Å
987S82.3Confident85.9Confident81 Ų8159.9 Ų59.957%0.56630%0.302SS*.THydrogen-bonded Turntrans-62.7-26.5-177.655.80000113.8I985I985-S987 WeakPolarHBondContact CG2-OG 3.46Å
988L80.7Confident85.9Confident52 Ų5256.9 Ų56.927%0.27228%0.279SS..THydrogen-bonded Turntrans-104.262-179.5-64.8-178.1000111.5F726 H913 I985 I986 R990 R991F726-L988 HydrophobicContact CE2-CD1 3.58Å; F726-L988 HydrophobicContact CZ-CD1 3.76Å; H913-L988 VanDerWaalsContact CD2-CD1 3.44Å; H913-L988 WeakPolarHBondContact CD2-CD1 3.07Å; I985-L988 HydrophobicContact CG2-CB 4.19Å; I985-L988 HydrophobicContact CG2-CD1 4.26Å; I985-L988 HydrophobicContact CG2-CG 4.1Å; I986-L988 PolarHBondContact O-N 3.42Å; L988-R990 PolarHBondContact O-N 3.28Å; L988-R990 VanDerWaalsContact O-N 3.13Å; L988-R991 HydrophobicContact CB-CG 4.39Å; L988-R991 VanDerWaalsContact O-CG 3.29Å; L988-R991 WeakPolarHBondContact O-CG 3.39Å; L988-R991 PolarHBondContact O-N 3.36Å; L988-R991 VanDerWaalsContact O-N 3.09Å
989Q74.6Confident85.6Confident195 Ų19553.5 Ų53.591%0.91127%0.272SS*.THydrogen-bonded Turntrans54.533177-60.2-178.6-13.500114.5R991Q989-R991 PolarHBondContact O-N 3.2Å
990R76.9Confident85.4Confident194 Ų19454.3 Ų54.373%0.73228%0.279SS*.THydrogen-bonded Turntrans54.845.9-174.3-67.4-177.4175.8176.4-2.5113.6I985 L988 H992I985-R990 WeakPolarHBondContact O-CA 3.27Å; L988-R990 PolarHBondContact O-N 3.28Å; L988-R990 VanDerWaalsContact O-N 3.13Å; R990-H992 PolarHBondContact O-N 2.7Å; R990-H992 PolarHBondContact O-ND1 2.74Å
991R88Confident85.2Confident79 Ų7951.2 Ų51.230%0.29826%0.262SS..EExtended strand (participates in β ladder)trans-57.2136.5162.7-78-178.7-172.6-132.511.6109.5Q724 E729 S984 I985 L988 Q989Q724-R991 PolarHBondContact O-NH1 3.29Å; E729-R991 WeakPolarHBondContact OE1-CD 3.31Å; E729-R991 WeakPolarHBondContact OE1-CG 3.25Å; E729-R991 IonicContact OE1-CZ 3.88Å; E729-R991 IonicContact OE1-NE 2.84Å; E729-R991 IonicContact OE1-NH1 2.81Å; E729-R991 PolarHBondContact OE1-NH1 3.36Å; E729-R991 IonicContact OE2-NH1 2.68Å; E729-R991 PolarHBondContact OE2-NH1 3.13Å; S984-R991 WeakPolarHBondContact CA-O 3.43Å; I985-R991 PolarHBondContact N-O 3.23Å; I985-R991 PolarHBondContact O-N 2.94Å; L988-R991 HydrophobicContact CB-CG 4.39Å; L988-R991 VanDerWaalsContact O-CG 3.29Å; L988-R991 WeakPolarHBondContact O-CG 3.39Å; L988-R991 PolarHBondContact O-N 3.36Å; L988-R991 VanDerWaalsContact O-N 3.09Å; Q989-R991 PolarHBondContact O-N 3.2Å
992H90.1Very high84.9Confident131 Ų13155.1 Ų55.161%0.60628%0.283SS*.EExtended strand (participates in β ladder)trans-143.9155.6-179.560.6-80.2000109.4W983 R990W983-H992 CarbonylContact O-C 3.42Å; W983-H992 WeakPolarHBondContact O-CA 3.35Å; W983-H992 WeakPolarHBondContact O-CB 3.48Å; R990-H992 PolarHBondContact O-N 2.7Å; R990-H992 PolarHBondContact O-ND1 2.74Å
993G89.4Confident84.4Confident6 Ų657 Ų576%0.06229%0.288CS..EExtended strand (participates in β ladder)trans-159.2166.5178.800000113G728 C982 W983G728-G993 CarbonylContact O-C 3.56Å; G728-G993 WeakPolarHBondContact O-CA 3.37Å; C982-G993 CarbonylContact C-O 3.52Å; C982-G993 WeakPolarHBondContact CA-O 3.49Å; W983-G993 VanDerWaalsContact CE2-CA 3.49Å; W983-G993 PolarHBondContact N-O 3.25Å; W983-G993 PolarHBondContact O-N 2.79Å
994E90Very high83.9Confident49 Ų4961.7 Ų61.723%0.22931%0.312CS..EExtended strand (participates in β ladder)trans-95.4124.7178.1-171.8-171.516200109.3G728 K792 F797 N976G728-E994 VanDerWaalsContact CA-O 3.27Å; G728-E994 WeakPolarHBondContact CA-O 3.48Å; G728-E994 PolarHBondContact O-N 2.97Å; K792-E994 IonicContact NZ-OE2 3.23Å; K792-E994 PolarHBondContact NZ-OE2 3.36Å; F797-E994 VanDerWaalsContact CZ-O 3.3Å; F797-E994 WeakPolarHBondContact CZ-O 3.38Å; N976-E994 PolarHBondContact ND2-OE1 3.25Å
995A88.7Confident83.5Confident0 Ų060 Ų600%030%0.3CS..  trans-90.5125.3175.200000110F797 V885 F887 N976 I981F797-A995 HydrophobicContact CD1-CB 4.31Å; F797-A995 HydrophobicContact CE1-CB 4.13Å; V885-A995 HydrophobicContact CG2-CB 3.57Å; F887-A995 HydrophobicContact CE2-CB 4.27Å; F887-A995 HydrophobicContact CZ-CB 3.91Å; N976-A995 PolarHBondContact OD1-O 3.33Å; I981-A995 HydrophobicContact CB-CB 4.28Å; I981-A995 HydrophobicContact CG2-CB 3.93Å; I981-A995 PolarHBondContact O-N 3.42Å
996S87.3Confident83.3Confident3 Ų360.3 Ų60.32%0.02130%0.302CS..  trans-104.5123.1-178-162.50000113.4K794 F797 F887 N976 E998K794-S996 WeakPolarHBondContact CE-OG 3.47Å; K794-S996 PolarHBondContact NZ-OG 3.39Å; F797-S996 WeakPolarHBondContact CB-O 3.45Å; F797-S996 VanDerWaalsContact CD2-N 3.35Å; F797-S996 WeakPolarHBondContact CD2-O 3.4Å; F797-S996 VanDerWaalsContact CE2-N 3.34Å; F887-S996 WeakPolarHBondContact CE2-O 3.27Å; N976-S996 PolarHBondContact ND2-OG 3.36Å; N976-S996 VanDerWaalsContact OD1-CA 3.26Å; N976-S996 WeakPolarHBondContact OD1-CA 3.37Å; N976-S996 PolarHBondContact OD1-OG 2.81Å; S996-E998 PolarHBondContact O-N 3.41Å
997V85.8Confident83.2Confident0 Ų059.9 Ų59.90%030%0.297CS..  trans-75.9-6.2176-64.50000113.3F887 L905 I975 N976 L979 I981 G999 A1000 L1001F887-V997 HydrophobicContact CD2-CG1 4.25Å; F887-V997 HydrophobicContact CE1-CG1 4.19Å; F887-V997 HydrophobicContact CE2-CB 4.46Å; F887-V997 HydrophobicContact CE2-CG1 3.77Å; F887-V997 HydrophobicContact CZ-CG1 3.73Å; L905-V997 HydrophobicContact CD1-CG1 4Å; L905-V997 HydrophobicContact CD2-CG1 4.14Å; I975-V997 HydrophobicContact CG2-CG2 4.02Å; N976-V997 PolarHBondContact OD1-N 2.6Å; L979-V997 HydrophobicContact CD1-CG1 4.21Å; L979-V997 HydrophobicContact CD1-CG2 3.77Å; I981-V997 HydrophobicContact CD1-CG1 3.84Å; V997-G999 VanDerWaalsContact C-N 3.33Å; V997-G999 PolarHBondContact O-N 2.87Å; V997-A1000 WeakPolarHBondContact O-CA 3.35Å; V997-A1000 PolarHBondContact O-N 3.43Å; V997-L1001 HydrophobicContact CB-CG 4.43Å; V997-L1001 HydrophobicContact CG2-CD1 4.02Å; V997-L1001 HydrophobicContact CG2-CG 4.29Å; V997-L1001 WeakPolarHBondContact O-CG 3.32Å; V997-L1001 PolarHBondContact O-N 3.13Å
998E83.2Confident83.2Confident20 Ų2060.1 Ų60.19%0.09329%0.289CS..THydrogen-bonded Turntrans-54.4-42.2-167.7-153.7-163.2126.900114.4F762 K794 H969 S996 A1000F762-E998 VanDerWaalsContact CD1-CD 3.45Å; F762-E998 HydrophobicContact CD1-CG 4.45Å; F762-E998 WeakPolarHBondContact CD1-OE1 3.29Å; F762-E998 HydrophobicContact CE1-CG 4.45Å; F762-E998 VanDerWaalsContact CE1-OE1 3.27Å; F762-E998 WeakPolarHBondContact CE1-OE1 3.5Å; K794-E998 IonicContact NZ-OE2 2.87Å; K794-E998 PolarHBondContact NZ-OE2 3.14Å; H969-E998 IonicContact CE1-OE1 3.64Å; H969-E998 PolarHBondContact CE1-OE1 3.49Å; H969-E998 IonicContact CE1-OE2 4Å; H969-E998 IonicContact CG-OE1 3.51Å; H969-E998 IonicContact ND1-OE1 2.67Å; H969-E998 PolarHBondContact ND1-OE1 2.79Å; H969-E998 IonicContact ND1-OE2 2.78Å; S996-E998 PolarHBondContact O-N 3.41Å; E998-A1000 VanDerWaalsContact C-N 3.34Å
999G76.4Confident83.5Confident28 Ų2857.7 Ų57.729%0.28928%0.277SS..THydrogen-bonded Turntrans-80.2-12.3177.300000114.7D796 V997D796-G999 WeakPolarHBondContact OD1-CA 3.22Å; V997-G999 VanDerWaalsContact C-N 3.33Å; V997-G999 PolarHBondContact O-N 2.87Å
1000A80.3Confident84Confident19 Ų1950.7 Ų50.716%0.15724%0.244CC..THydrogen-bonded Turntrans-97.9-10.5-178.900000113.5F887 V890 V997 E998 N1002F887-A1000 HydrophobicContact CB-CB 3.85Å; F887-A1000 HydrophobicContact CD2-CB 4.33Å; F887-A1000 HydrophobicContact CG-CB 4.44Å; V890-A1000 HydrophobicContact CG2-CB 3.7Å; V997-A1000 WeakPolarHBondContact O-CA 3.35Å; V997-A1000 PolarHBondContact O-N 3.43Å; E998-A1000 VanDerWaalsContact C-N 3.34Å; A1000-N1002 PolarHBondContact O-N 2.94Å
1001L83.4Confident84.3Confident21 Ų2142.9 Ų42.911%0.1122%0.216CC..  trans-79117.2178.5-66.4169.4000110.6V890 I975 V997 V1005 L1006 L1009V890-L1001 HydrophobicContact CG1-CD2 4.25Å; I975-L1001 HydrophobicContact CB-CD1 4.46Å; I975-L1001 HydrophobicContact CD1-CD1 3.55Å; I975-L1001 HydrophobicContact CG2-CD1 4.34Å; V997-L1001 HydrophobicContact CB-CG 4.43Å; V997-L1001 HydrophobicContact CG2-CD1 4.02Å; V997-L1001 HydrophobicContact CG2-CG 4.29Å; V997-L1001 WeakPolarHBondContact O-CG 3.32Å; V997-L1001 PolarHBondContact O-N 3.13Å; L1001-V1005 HydrophobicContact CD2-CG1 3.63Å; L1001-L1006 HydrophobicContact CB-CD2 4.32Å; L1001-L1006 HydrophobicContact CB-CG 4.35Å; L1001-L1006 HydrophobicContact CD1-CD2 4.12Å; L1001-L1009 HydrophobicContact CD2-CD1 4.16Å
1002N82.3Confident84Confident82 Ų8240.2 Ų40.244%0.43921%0.212SC..  trans-90.4166169.869.925.8000111.2A1000 L1004 V1005 L1006A1000-N1002 PolarHBondContact O-N 2.94Å; N1002-L1004 PolarHBondContact O-N 3.06Å; N1002-L1004 PolarHBondContact OD1-N 3.37Å; N1002-V1005 PolarHBondContact O-N 2.93Å; N1002-V1005 WeakPolarHBondContact OD1-CB 3.29Å; N1002-V1005 VanDerWaalsContact OD1-CG2 3.25Å; N1002-V1005 WeakPolarHBondContact OD1-CG2 3.25Å; N1002-V1005 PolarHBondContact OD1-N 3.29Å; N1002-L1006 PolarHBondContact O-N 2.84Å
1003Q79.9Confident83.5Confident82 Ų8234.4 Ų34.438%0.38319%0.185SC..Hα-helixtrans-55.8-38.8-178.9-172.165.125.300112.7L1006 E1007Q1003-L1006 PolarHBondContact O-N 2.96Å; Q1003-E1007 WeakPolarHBondContact O-CG 3.09Å; Q1003-E1007 PolarHBondContact O-N 3.33Å
1004L81.1Confident83.2Confident98 Ų9834.2 Ų34.251%0.51318%0.183SC..Hα-helixtrans-65.6-41.8-179.7-175.371.7000112.1N1002 E1007 H1008N1002-L1004 PolarHBondContact O-N 3.06Å; N1002-L1004 PolarHBondContact OD1-N 3.37Å; L1004-E1007 PolarHBondContact O-N 3.29Å; L1004-H1008 PolarHBondContact O-N 3.45Å; L1004-H1008 VanDerWaalsContact O-N 3.07Å; L1004-H1008 PolarHBondContact O-ND1 3.47Å
1005V83.4Confident83Confident5 Ų532.5 Ų32.53%0.0318%0.175CC..Hα-helixtrans-65.7-41.6175.6169.90000110.2V890 T892 L903 L1001 N1002 E1007 H1008 L1009V890-V1005 HydrophobicContact CG1-CG1 4.01Å; V890-V1005 HydrophobicContact CG1-CG2 4.24Å; T892-V1005 HydrophobicContact CG2-CG1 4.05Å; L903-V1005 HydrophobicContact CD1-CG1 4.2Å; L1001-V1005 HydrophobicContact CD2-CG1 3.63Å; N1002-V1005 PolarHBondContact O-N 2.93Å; N1002-V1005 WeakPolarHBondContact OD1-CB 3.29Å; N1002-V1005 VanDerWaalsContact OD1-CG2 3.25Å; N1002-V1005 WeakPolarHBondContact OD1-CG2 3.25Å; N1002-V1005 PolarHBondContact OD1-N 3.29Å; V1005-E1007 VanDerWaalsContact C-N 3.32Å; V1005-E1007 PolarHBondContact O-N 2.87Å; V1005-H1008 PolarHBondContact O-N 3.23Å; V1005-L1009 HydrophobicContact CG1-CD1 3.75Å; V1005-L1009 HydrophobicContact CG1-CG 4.21Å; V1005-L1009 WeakPolarHBondContact O-CB 3.49Å; V1005-L1009 VanDerWaalsContact O-CG 3.26Å; V1005-L1009 WeakPolarHBondContact O-CG 3.41Å; V1005-L1009 PolarHBondContact O-N 3.43Å
1006L83.6Confident82.8Confident7 Ų733.3 Ų33.34%0.03718%0.178CC..Hα-helixtrans-60.9-40.3175.2-70.5171.8000111.9Q968 Q971 I975 L1001 N1002 Q1003 L1009 Q1010Q968-L1006 HydrophobicContact CG-CD1 4.28Å; Q971-L1006 HydrophobicContact CB-CD2 4.44Å; I975-L1006 HydrophobicContact CD1-CD2 3.59Å; L1001-L1006 HydrophobicContact CB-CD2 4.32Å; L1001-L1006 HydrophobicContact CB-CG 4.35Å; L1001-L1006 HydrophobicContact CD1-CD2 4.12Å; N1002-L1006 PolarHBondContact O-N 2.84Å; Q1003-L1006 PolarHBondContact O-N 2.96Å; L1006-L1009 PolarHBondContact O-N 2.91Å; L1006-Q1010 WeakPolarHBondContact O-CB 3.49Å; L1006-Q1010 PolarHBondContact O-N 3.03Å
1007E80.7Confident82.7Confident106 Ų10635.8 Ų35.850%0.49519%0.191SC..Hα-helixtrans-64.5-40.5175.8-75.7171.1-170.600112.4Q1003 L1004 V1005 Q1010Q1003-E1007 WeakPolarHBondContact O-CG 3.09Å; Q1003-E1007 PolarHBondContact O-N 3.33Å; L1004-E1007 PolarHBondContact O-N 3.29Å; V1005-E1007 VanDerWaalsContact C-N 3.32Å; V1005-E1007 PolarHBondContact O-N 2.87Å; E1007-Q1010 PolarHBondContact O-N 2.89Å
1008H82.4Confident82.7Confident86 Ų8636 Ų3640%0.39819%0.192SC..Hα-helixtrans-71.7-33175.8-65.1151.3000113.5T892 K941 L1004 V1005 Q1010T892-H1008 HydrophobicContact CG2-CB 4.08Å; T892-H1008 VanDerWaalsContact OG1-CB 3.29Å; T892-H1008 WeakPolarHBondContact OG1-CB 3.42Å; T892-H1008 PolarHBondContact OG1-ND1 2.9Å; K941-H1008 WeakPolarHBondContact CE-O 3.27Å; L1004-H1008 PolarHBondContact O-N 3.45Å; L1004-H1008 VanDerWaalsContact O-N 3.07Å; L1004-H1008 PolarHBondContact O-ND1 3.47Å; V1005-H1008 PolarHBondContact O-N 3.23Å; H1008-Q1010 VanDerWaalsContact C-N 3.29Å
1009L85.5Confident82.8Confident1 Ų136.9 Ų36.91%0.00520%0.197CC..Hα-helixtrans-75.2-18.9174.6-71.6174.7000112.1T892 L903 V939 K941 F942 I975 L1001 V1005 L1006T892-L1009 HydrophobicContact CG2-CD2 4.22Å; T892-L1009 HydrophobicContact CG2-CG 4.2Å; L903-L1009 HydrophobicContact CD1-CD1 4.39Å; L903-L1009 HydrophobicContact CD1-CD2 4.46Å; V939-L1009 HydrophobicContact CG2-CD2 3.75Å; K941-L1009 CarbonylContact C-O 3.56Å; K941-L1009 VanDerWaalsContact CA-O 3.22Å; K941-L1009 WeakPolarHBondContact CA-O 3.27Å; K941-L1009 WeakPolarHBondContact CB-O 3.47Å; F942-L1009 HydrophobicContact CD2-CB 4.33Å; F942-L1009 PolarHBondContact N-O 3.28Å; I975-L1009 HydrophobicContact CD1-CD1 3.98Å; L1001-L1009 HydrophobicContact CD2-CD1 4.16Å; V1005-L1009 HydrophobicContact CG1-CD1 3.75Å; V1005-L1009 HydrophobicContact CG1-CG 4.21Å; V1005-L1009 WeakPolarHBondContact O-CB 3.49Å; V1005-L1009 VanDerWaalsContact O-CG 3.26Å; V1005-L1009 WeakPolarHBondContact O-CG 3.41Å; V1005-L1009 PolarHBondContact O-N 3.43Å; L1006-L1009 PolarHBondContact O-N 2.91Å
1010Q85.5Confident83.1Confident47 Ų4735.7 Ų35.722%0.2219%0.185CC..BIsolated β-bridgetrans-73.4132.7179.5-176.2170.51.600111.2F944 L1006 E1007 H1008F944-Q1010 HydrophobicContact CD2-CB 3.85Å; F944-Q1010 HydrophobicContact CD2-CG 3.85Å; F944-Q1010 HydrophobicContact CE2-CB 3.95Å; F944-Q1010 HydrophobicContact CE2-CG 4.45Å; L1006-Q1010 WeakPolarHBondContact O-CB 3.49Å; L1006-Q1010 PolarHBondContact O-N 3.03Å; E1007-Q1010 PolarHBondContact O-N 2.89Å; H1008-Q1010 VanDerWaalsContact C-N 3.29Å
1011L84.3Confident83.2Confident30 Ų3038.2 Ų38.216%0.15720%0.195CC..PPolyproline II helixtrans-69.7130.7171-173.468.2000109.3R899 K941 F942 L1048R899-L1011 HydrophobicContact CB-CD1 4.31Å; R899-L1011 HydrophobicContact CG-CD1 4.24Å; K941-L1011 HydrophobicContact CB-CB 3.97Å; K941-L1011 HydrophobicContact CB-CD1 3.97Å; F942-L1011 PolarHBondContact O-N 2.65Å; L1011-L1048 HydrophobicContact CD2-CD1 4.16Å
1012A80.3Confident82.9Confident24 Ų2439.9 Ų39.920%0.19822%0.218CC..PPolyproline II helixtrans-55.9130.5-179.900000110.8L1014 Q1015A1012-L1014 PolarHBondContact O-N 3.27Å; A1012-L1014 VanDerWaalsContact O-N 3.13Å; A1012-Q1015 PolarHBondContact O-NE2 3.29Å
1013P80.2Confident82.8Confident8 Ų841.7 Ų41.75%0.05222%0.222CC..SBendtrans-63.8-18.5-177.2-2737000114.9L1048 N1049 W1131P1013-L1048 WeakPolarHBondContact O-CA 3.43Å; P1013-L1048 WeakPolarHBondContact O-CB 3.24Å; P1013-L1048 PolarHBondContact O-N 2.7Å; P1013-N1049 HydrophobicContact CB-CB 3.99Å; P1013-N1049 PolarHBondContact O-N 2.89Å; P1013-W1131 HydrophobicContact CB-CD2 4.35Å; P1013-W1131 HydrophobicContact CB-CE3 4.41Å; P1013-W1131 HydrophobicContact CB-CH2 4.43Å; P1013-W1131 HydrophobicContact CB-CZ2 4.36Å; P1013-W1131 HydrophobicContact CB-CZ3 4.44Å; P1013-W1131 HydrophobicContact CG-CD2 4.14Å; P1013-W1131 HydrophobicContact CG-CH2 4.29Å; P1013-W1131 HydrophobicContact CG-CZ2 3.77Å
1014L83.9Confident82.8Confident3 Ų342.2 Ų42.22%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-110.7123.7172.8-62.5-178.7000108.7A1012 L1045 N1047 V1053 W1131 F1132A1012-L1014 PolarHBondContact O-N 3.27Å; A1012-L1014 VanDerWaalsContact O-N 3.13Å; L1014-L1045 HydrophobicContact CB-CD1 3.95Å; L1014-L1045 HydrophobicContact CD2-CD1 4.19Å; L1014-L1045 HydrophobicContact CG-CD1 4.47Å; L1014-N1047 HydrophobicContact CD2-CB 4.3Å; L1014-V1053 HydrophobicContact CD1-CG1 3.95Å; L1014-V1053 HydrophobicContact CD2-CB 4.19Å; L1014-V1053 HydrophobicContact CD2-CG1 4.11Å; L1014-V1053 HydrophobicContact CD2-CG2 4.01Å; L1014-W1131 WeakPolarHBondContact CB-O 3.42Å; L1014-W1131 HydrophobicContact CD1-CB 4.12Å; L1014-W1131 HydrophobicContact CD1-CE3 4.41Å; L1014-W1131 HydrophobicContact CG-CB 4.4Å; L1014-W1131 HydrophobicContact CG-CE3 4.38Å; L1014-F1132 HydrophobicContact CD1-CD1 4.36Å; L1014-F1132 HydrophobicContact CD1-CE1 4.03Å
1015Q84.9Confident82.4Confident13 Ų1337.8 Ų37.86%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-104.4126.9178.6-65.4-66.1-58.800109.5R899 A1012 L1045 T1046 L1048R899-Q1015 VanDerWaalsContact NH1-OE1 3.13Å; A1012-Q1015 PolarHBondContact O-NE2 3.29Å; Q1015-L1045 CarbonylContact O-C 3.6Å; Q1015-L1045 WeakPolarHBondContact O-CA 3.43Å; Q1015-T1046 PolarHBondContact N-O 2.96Å; Q1015-T1046 PolarHBondContact O-N 3.2Å; Q1015-L1048 HydrophobicContact CG-CD1 3.48Å; Q1015-L1048 VanDerWaalsContact CG-CD1 3.48Å; Q1015-L1048 HydrophobicContact CG-CG 4.03Å
1016W84.4Confident81.6Confident17 Ų1740.3 Ų40.36%0.06422%0.223CC..EExtended strand (participates in β ladder)trans-112.4114.6179.4-6293.4000109.1V1043 K1044 L1045 L1056 I1089 V1118 W1131 F1132 L1134W1016-V1043 HydrophobicContact CE3-CG1 3.85Å; W1016-V1043 HydrophobicContact CZ3-CG1 4.19Å; W1016-K1044 WeakPolarHBondContact CA-O 3.36Å; W1016-L1045 HydrophobicContact CD2-CD1 3.86Å; W1016-L1045 HydrophobicContact CE3-CB 4.01Å; W1016-L1045 HydrophobicContact CE3-CD1 4.09Å; W1016-L1045 HydrophobicContact CH2-CB 4.16Å; W1016-L1045 HydrophobicContact CH2-CD1 3.9Å; W1016-L1045 HydrophobicContact CH2-CD2 3.82Å; W1016-L1045 HydrophobicContact CH2-CG 4.17Å; W1016-L1045 HydrophobicContact CZ2-CD1 3.61Å; W1016-L1045 HydrophobicContact CZ2-CD2 4.14Å; W1016-L1045 HydrophobicContact CZ2-CG 4.36Å; W1016-L1045 HydrophobicContact CZ3-CB 3.78Å; W1016-L1045 HydrophobicContact CZ3-CD1 4.13Å; W1016-L1045 HydrophobicContact CZ3-CD2 4.31Å; W1016-L1045 HydrophobicContact CZ3-CG 4.29Å; W1016-L1056 HydrophobicContact CH2-CD1 4.35Å; W1016-L1056 HydrophobicContact CZ2-CD1 4.49Å; W1016-I1089 HydrophobicContact CH2-CD1 4.08Å; W1016-I1089 HydrophobicContact CZ3-CD1 4.03Å; W1016-V1118 HydrophobicContact CH2-CG1 4.28Å; W1016-V1118 HydrophobicContact CH2-CG2 3.73Å; W1016-V1118 HydrophobicContact CZ2-CG1 4.36Å; W1016-V1118 HydrophobicContact CZ2-CG2 3.87Å; W1016-V1118 HydrophobicContact CZ3-CG2 4.41Å; W1016-W1131 PolarHBondContact NE1-O 3.02Å; W1016-F1132 HydrophobicContact CZ2-CD1 4.16Å; W1016-L1134 HydrophobicContact CB-CD2 3.82Å; W1016-L1134 HydrophobicContact CB-CG 4.19Å; W1016-L1134 HydrophobicContact CD2-CD2 3.69Å; W1016-L1134 HydrophobicContact CD2-CG 4Å; W1016-L1134 HydrophobicContact CE3-CD2 3.61Å; W1016-L1134 HydrophobicContact CE3-CG 4.37Å; W1016-L1134 HydrophobicContact CG-CD2 3.81Å; W1016-L1134 HydrophobicContact CG-CG 3.92Å; W1016-L1134 HydrophobicContact CZ3-CD2 4.36Å
1017D85.1Confident80.6Confident55 Ų5542.1 Ų42.129%0.29424%0.235SC..EExtended strand (participates in β ladder)trans-107.7124173.5-57.3-49.3000108.2R899 K1044R899-D1017 IonicContact CZ-OD1 3.89Å; R899-D1017 IonicContact NH2-OD1 2.72Å; R899-D1017 PolarHBondContact NH2-OD1 3.43Å; R899-D1017 IonicContact NH2-OD2 2.82Å; D1017-K1044 HydrophobicContact CB-CB 4.3Å; D1017-K1044 PolarHBondContact N-O 2.9Å; D1017-K1044 PolarHBondContact O-N 3.37Å
1018V85.2Confident79.8Confident5 Ų543.7 Ų43.73%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-114.8130.1-179.6-177.50000109.9P1024 C1025 L1041 E1042 V1043 M1116 L1134 P1135 V1137V1018-P1024 WeakPolarHBondContact O-CA 3.26Å; V1018-C1025 PolarHBondContact O-N 3.41Å; V1018-L1041 HydrophobicContact CG1-CD1 3.7Å; V1018-E1042 CarbonylContact C-O 3.57Å; V1018-E1042 WeakPolarHBondContact CA-O 3.5Å; V1018-V1043 HydrophobicContact CG1-CG2 4.24Å; V1018-V1043 HydrophobicContact CG2-CG1 4.2Å; V1018-V1043 HydrophobicContact CG2-CG2 4.23Å; V1018-M1116 HydrophobicContact CG1-CE 3.94Å; V1018-M1116 HydrophobicContact CG2-CE 4.41Å; V1018-M1116 HydrophobicContact CG2-SD 4.14Å; V1018-L1134 HydrophobicContact CG2-CD2 4.42Å; V1018-P1135 HydrophobicContact CB-CG 4.11Å; V1018-P1135 HydrophobicContact CG2-CG 3.63Å; V1018-V1137 HydrophobicContact CB-CG2 4.3Å; V1018-V1137 HydrophobicContact CG1-CG2 3.77Å
1019L85.7Confident79.2Confident37 Ų3743 Ų4319%0.19425%0.249CC..EExtended strand (participates in β ladder)trans-120135.7172.1-5398.8000111.1K1023 P1024 L1041 E1042L1019-K1023 CarbonylContact C-O 3.56Å; L1019-K1023 WeakPolarHBondContact CA-O 3.31Å; L1019-P1024 HydrophobicContact CD2-CB 4.41Å; L1019-L1041 WeakPolarHBondContact O-CA 3.06Å; L1019-E1042 HydrophobicContact CB-CB 4.19Å; L1019-E1042 HydrophobicContact CD1-CB 4.16Å; L1019-E1042 HydrophobicContact CD1-CG 4.2Å; L1019-E1042 PolarHBondContact N-O 3.21Å; L1019-E1042 PolarHBondContact O-N 3.08Å
1020V84.1Confident78.8Confident4 Ų445.1 Ų45.12%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-116.9120.6171.9-179.40000107.9G1022 K1023 A1031 V1039 T1040 L1041 V1137 V1139V1020-G1022 PolarHBondContact O-N 3.15Å; V1020-K1023 PolarHBondContact N-O 3.48Å; V1020-K1023 PolarHBondContact O-N 2.96Å; V1020-A1031 HydrophobicContact CB-CB 3.74Å; V1020-A1031 HydrophobicContact CG1-CB 3.71Å; V1020-A1031 HydrophobicContact CG2-CB 4.41Å; V1020-V1039 HydrophobicContact CG1-CG1 3.42Å; V1020-V1039 VanDerWaalsContact CG1-CG1 3.42Å; V1020-T1040 CarbonylContact C-O 3.46Å; V1020-T1040 WeakPolarHBondContact CA-O 3.42Å; V1020-L1041 HydrophobicContact CG2-CD1 3.9Å; V1020-V1137 HydrophobicContact CG2-CG1 3.63Å; V1020-V1139 HydrophobicContact CG1-CG2 4.26Å; V1020-V1139 HydrophobicContact CG2-CG2 4.43Å
1021N81.9Confident78.6Confident71 Ų7143 Ų4338%0.3825%0.253SS..THydrogen-bonded Turntrans50.942.3-173.5-78.1-15.5000113.6K1023 V1039 T1040N1021-K1023 PolarHBondContact O-N 3.19Å; N1021-V1039 WeakPolarHBondContact OD1-CA 3.42Å; N1021-T1040 VanDerWaalsContact CA-OG1 3.31Å; N1021-T1040 WeakPolarHBondContact CA-OG1 3.18Å; N1021-T1040 PolarHBondContact N-O 2.95Å; N1021-T1040 PolarHBondContact OD1-N 3.25Å; N1021-T1040 PolarHBondContact OD1-OG1 3.32Å; N1021-T1040 VanDerWaalsContact OD1-OG1 3.08Å
1022G77.3Confident78.5Confident57 Ų5745.3 Ų45.359%0.58827%0.265SS*.THydrogen-bonded Turntrans71.13.3-179.900000115.1V1020V1020-G1022 PolarHBondContact O-N 3.15Å
1023K79.6Confident78.6Confident120 Ų12044.7 Ų44.752%0.52226%0.259SS..EExtended strand (participates in β ladder)trans-97.2128.5173.3-67.1-178.1-179.6176.30109.9L1019 V1020 N1021 C1025L1019-K1023 CarbonylContact C-O 3.56Å; L1019-K1023 WeakPolarHBondContact CA-O 3.31Å; V1020-K1023 PolarHBondContact N-O 3.48Å; V1020-K1023 PolarHBondContact O-N 2.96Å; N1021-K1023 PolarHBondContact O-N 3.19Å; K1023-C1025 PolarHBondContact O-N 2.94Å
1024P80.1Confident78.8Confident92 Ų9251.3 Ų51.360%0.59728%0.283SS*.EExtended strand (participates in β ladder)trans-67.6131.4175.228.1-32.9000110.4V1018 L1019V1018-P1024 WeakPolarHBondContact O-CA 3.26Å; L1019-P1024 HydrophobicContact CD2-CB 4.41Å
1025C72.8Confident78.7Confident5 Ų552.4 Ų52.43%0.03429%0.29CS..  trans-104.490.5176.4-65.40000108.5V1018 K1023 V1137V1018-C1025 PolarHBondContact O-N 3.41Å; K1023-C1025 PolarHBondContact O-N 2.94Å; C1025-V1137 HydrophobicContact CB-CG1 4.23Å; C1025-V1137 HydrophobicContact CB-CG2 4.43Å
1026D66.8Low78.5Confident59 Ų5954 Ų5432%0.31631%0.309SS..  trans-89.5164.1159.7-154.4-2.3000108.1S897 D1028 V1029S897-D1026 PolarHBondContact OG-OD2 2.95Å; D1026-D1028 PolarHBondContact O-N 3.18Å; D1026-V1029 PolarHBondContact O-N 3.01Å
1027C62.6Low78.5Confident44 Ų4457.2 Ų57.230%0.29733%0.328SS..THydrogen-bonded Turntrans-48.9136.1-178.7-61.10000111.2T896T896-C1027 VanDerWaalsContact O-CB 3.24Å; T896-C1027 WeakPolarHBondContact O-CB 3.45Å
1028D63.6Low78.5Confident139 Ų13957.4 Ų57.474%0.74334%0.337SS*.THydrogen-bonded Turntrans79.24.3-177.8-50.3-37.4000117.5D1026D1026-D1028 PolarHBondContact O-N 3.18Å
1029V70.2Confident78.5Confident71 Ų7157.3 Ų57.343%0.4334%0.336SS..  trans-96.9114.2173.6-175.10000111.5D1026D1026-V1029 PolarHBondContact O-N 3.01Å
1030V77.3Confident78.7Confident46 Ų4659 Ų5928%0.27935%0.348SS..EExtended strand (participates in β ladder)trans-81.7122.4175.2-170.90000110.2R1140V1030-R1140 HydrophobicContact CG1-CB 3.69Å
1031A80.4Confident78.9Confident4 Ų459 Ų593%0.03335%0.348CS..EExtended strand (participates in β ladder)trans-89.2103.8172.800000110.5V1020 H1138 V1139 R1140V1020-A1031 HydrophobicContact CB-CB 3.74Å; V1020-A1031 HydrophobicContact CG1-CB 3.71Å; V1020-A1031 HydrophobicContact CG2-CB 4.41Å; A1031-H1138 PolarHBondContact N-O 3.02Å; A1031-V1139 CarbonylContact O-C 3.47Å; A1031-V1139 VanDerWaalsContact O-CA 3.31Å; A1031-V1139 WeakPolarHBondContact O-CA 3.44Å; A1031-V1139 WeakPolarHBondContact O-CG1 3.49Å; A1031-R1140 PolarHBondContact O-N 3.1Å
1032D81.5Confident79.2Confident78 Ų7858.5 Ų58.542%0.41734%0.344SS..EExtended strand (participates in β ladder)trans-76.1135174.9-63.4-66.6000112R1140 Q1142D1032-R1140 WeakPolarHBondContact CA-O 3.38Å; D1032-Q1142 PolarHBondContact OD1-NE2 3.18Å; D1032-Q1142 VanDerWaalsContact OD1-NE2 3.08Å
1033C83.3Confident79.7Confident10 Ų1055.9 Ų55.97%0.06832%0.316CS..EExtended strand (participates in β ladder)trans-138.4165.8173.168.10000112V1039 V1139 R1140 A1141 Q1142C1033-V1039 HydrophobicContact CB-CG1 4.35Å; C1033-V1039 HydrophobicContact CB-CG2 3.42Å; C1033-V1039 VanDerWaalsContact CB-CG2 3.42Å; C1033-V1139 VanDerWaalsContact SG-CG1 3.58Å; C1033-R1140 PolarHBondContact N-O 2.97Å; C1033-A1141 WeakPolarHBondContact O-CA 3.43Å; C1033-Q1142 PolarHBondContact O-N 3.16Å
1034R83.6Confident80.2Confident148 Ų14853.4 Ų53.456%0.55831%0.305SS*.EExtended strand (participates in β ladder)trans-95.9142.5175.1-66.4179.9179.8-179.20.2110.8G1036 D1037 Q1142R1034-G1036 PolarHBondContact O-N 3.46Å; R1034-D1037 HydrophobicContact CB-CB 4.32Å; R1034-D1037 WeakPolarHBondContact CB-OD2 3.37Å; R1034-D1037 PolarHBondContact O-N 3.14Å; R1034-Q1142 WeakPolarHBondContact CA-O 3.32Å
1035V83.2Confident80.5Confident26 Ų2649 Ų4916%0.15828%0.277CS..THydrogen-bonded Turntrans-60.4132.1171.4177.30000109.3D1037 F1106 L1107 T1109 A1141 Q1142V1035-D1037 VanDerWaalsContact C-N 3.34Å; V1035-D1037 PolarHBondContact O-N 3.23Å; V1035-F1106 WeakPolarHBondContact CG1-O 3.36Å; V1035-L1107 WeakPolarHBondContact CG1-O 3.2Å; V1035-T1109 HydrophobicContact CG2-CG2 3.6Å; V1035-A1141 HydrophobicContact CG2-CB 4.09Å; V1035-Q1142 PolarHBondContact N-O 3Å
1036G79.3Confident81.2Confident45 Ų4549.9 Ų49.946%0.46428%0.282SS..THydrogen-bonded Turntrans83.8-8-178.500000116.4R1034 L1105 F1106R1034-G1036 PolarHBondContact O-N 3.46Å; G1036-L1105 WeakPolarHBondContact O-CD1 3.42Å; G1036-F1106 PolarHBondContact N-O 3.34Å
1037D85.5Confident82.2Confident86 Ų8647 Ų4746%0.4627%0.267SS..SBendtrans-85.4142.7171.8-77.7-14000110.7R1034 V1035 V1039R1034-D1037 HydrophobicContact CB-CB 4.32Å; R1034-D1037 WeakPolarHBondContact CB-OD2 3.37Å; R1034-D1037 PolarHBondContact O-N 3.14Å; V1035-D1037 VanDerWaalsContact C-N 3.34Å; V1035-D1037 PolarHBondContact O-N 3.23Å; D1037-V1039 PolarHBondContact O-N 3.08Å
1038A83.9Confident83Confident59 Ų5947.9 Ų47.949%0.48827%0.268SS..EExtended strand (participates in β ladder)trans-71.9108.9172.400000109.8T1040 A1103A1038-T1040 PolarHBondContact O-N 3.47Å; A1038-A1103 HydrophobicContact CB-CB 4.45Å
1039V86.8Confident83.7Confident2 Ų241.9 Ų41.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-86.2109.7179.6-1770000109.2V1020 N1021 C1033 D1037 A1103 L1104 F1106V1020-V1039 HydrophobicContact CG1-CG1 3.42Å; V1020-V1039 VanDerWaalsContact CG1-CG1 3.42Å; N1021-V1039 WeakPolarHBondContact OD1-CA 3.42Å; C1033-V1039 HydrophobicContact CB-CG1 4.35Å; C1033-V1039 HydrophobicContact CB-CG2 3.42Å; C1033-V1039 VanDerWaalsContact CB-CG2 3.42Å; D1037-V1039 PolarHBondContact O-N 3.08Å; V1039-A1103 CarbonylContact O-C 3.59Å; V1039-A1103 WeakPolarHBondContact O-CA 3.47Å; V1039-A1103 WeakPolarHBondContact O-CB 3.32Å; V1039-L1104 WeakPolarHBondContact CB-O 3.11Å; V1039-L1104 PolarHBondContact N-O 2.97Å; V1039-L1104 PolarHBondContact O-N 2.82Å; V1039-F1106 HydrophobicContact CB-CD2 4.35Å; V1039-F1106 HydrophobicContact CB-CE2 4Å; V1039-F1106 HydrophobicContact CG1-CE2 4.32Å; V1039-F1106 HydrophobicContact CG2-CD2 3.71Å; V1039-F1106 HydrophobicContact CG2-CE2 3.8Å
1040T88.4Confident84Confident72 Ų7243 Ų4344%0.44224%0.235SC..EExtended strand (participates in β ladder)trans-69.1134.7177.954.70000110.9V1020 N1021 A1038V1020-T1040 CarbonylContact C-O 3.46Å; V1020-T1040 WeakPolarHBondContact CA-O 3.42Å; N1021-T1040 VanDerWaalsContact CA-OG1 3.31Å; N1021-T1040 WeakPolarHBondContact CA-OG1 3.18Å; N1021-T1040 PolarHBondContact N-O 2.95Å; N1021-T1040 PolarHBondContact OD1-N 3.25Å; N1021-T1040 PolarHBondContact OD1-OG1 3.32Å; N1021-T1040 VanDerWaalsContact OD1-OG1 3.08Å; A1038-T1040 PolarHBondContact O-N 3.47Å
1041L88.2Confident84.2Confident4 Ų445.7 Ų45.72%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-121.9119.2174.6175.668.4000108.2V1018 L1019 V1020 V1043 V1060 E1101 G1102 L1104 L1114 M1116V1018-L1041 HydrophobicContact CG1-CD1 3.7Å; L1019-L1041 WeakPolarHBondContact O-CA 3.06Å; V1020-L1041 HydrophobicContact CG2-CD1 3.9Å; L1041-V1043 HydrophobicContact CD1-CG2 4.25Å; L1041-V1043 HydrophobicContact CD2-CG2 4.37Å; L1041-V1043 HydrophobicContact CG-CG2 4.13Å; L1041-V1060 HydrophobicContact CD2-CB 4.41Å; L1041-V1060 HydrophobicContact CD2-CG1 3.87Å; L1041-V1060 HydrophobicContact CD2-CG2 3.97Å; L1041-E1101 WeakPolarHBondContact O-CA 3.23Å; L1041-G1102 PolarHBondContact N-O 3.01Å; L1041-G1102 PolarHBondContact O-N 3.22Å; L1041-L1104 HydrophobicContact CB-CD1 3.86Å; L1041-L1104 HydrophobicContact CD2-CD1 3.87Å; L1041-L1104 HydrophobicContact CG-CD1 4.45Å; L1041-L1114 HydrophobicContact CD1-CD1 3.98Å; L1041-L1114 HydrophobicContact CD2-CD1 4.1Å; L1041-M1116 HydrophobicContact CD1-CE 3.93Å; L1041-M1116 HydrophobicContact CD2-CE 4.11Å
1042E88.8Confident84.2Confident62 Ų6249.2 Ų49.229%0.2927%0.27SS..EExtended strand (participates in β ladder)trans-113123.5173.5-171.1-174152.400108.7V1018 L1019 V1099 C1100 E1101V1018-E1042 CarbonylContact C-O 3.57Å; V1018-E1042 WeakPolarHBondContact CA-O 3.5Å; L1019-E1042 HydrophobicContact CB-CB 4.19Å; L1019-E1042 HydrophobicContact CD1-CB 4.16Å; L1019-E1042 HydrophobicContact CD1-CG 4.2Å; L1019-E1042 PolarHBondContact N-O 3.21Å; L1019-E1042 PolarHBondContact O-N 3.08Å; E1042-V1099 HydrophobicContact CG-CG1 3.38Å; E1042-V1099 WeakPolarHBondContact OE1-CG1 3.41Å; E1042-C1100 CarbonylContact C-O 3.54Å; E1042-C1100 WeakPolarHBondContact CA-O 3.31Å; E1042-E1101 HydrophobicContact CG-CG 4.33Å
1043V87.9Confident84.2Confident2 Ų245.7 Ų45.71%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-119.1111.2173.6-176.50000108.5W1016 V1018 L1041 L1058 C1100 M1116 L1134W1016-V1043 HydrophobicContact CE3-CG1 3.85Å; W1016-V1043 HydrophobicContact CZ3-CG1 4.19Å; V1018-V1043 HydrophobicContact CG1-CG2 4.24Å; V1018-V1043 HydrophobicContact CG2-CG1 4.2Å; V1018-V1043 HydrophobicContact CG2-CG2 4.23Å; L1041-V1043 HydrophobicContact CD1-CG2 4.25Å; L1041-V1043 HydrophobicContact CD2-CG2 4.37Å; L1041-V1043 HydrophobicContact CG-CG2 4.13Å; V1043-L1058 HydrophobicContact CB-CD2 3.78Å; V1043-L1058 HydrophobicContact CG1-CD2 3.64Å; V1043-L1058 HydrophobicContact CG2-CD2 4.08Å; V1043-C1100 HydrophobicContact CB-CB 4.47Å; V1043-C1100 PolarHBondContact N-O 2.86Å; V1043-C1100 PolarHBondContact O-N 3.19Å; V1043-M1116 HydrophobicContact CG2-CE 4.14Å; V1043-M1116 HydrophobicContact CG2-SD 4Å; V1043-L1134 HydrophobicContact CG1-CD2 4.11Å
1044K88.9Confident84Confident68 Ų6846 Ų4630%0.29626%0.256SS..EExtended strand (participates in β ladder)trans-102.4119.1179.6177.8179-179.8-174.90110.6W1016 D1017 S1097 S1098 V1099W1016-K1044 WeakPolarHBondContact CA-O 3.36Å; D1017-K1044 HydrophobicContact CB-CB 4.3Å; D1017-K1044 PolarHBondContact N-O 2.9Å; D1017-K1044 PolarHBondContact O-N 3.37Å; K1044-S1097 VanDerWaalsContact CE-CB 3.45Å; K1044-S1097 WeakPolarHBondContact CE-OG 3.31Å; K1044-S1098 CarbonylContact C-O 3.52Å; K1044-S1098 WeakPolarHBondContact CA-O 3.17Å; K1044-V1099 HydrophobicContact CB-CG2 4.14Å; K1044-V1099 HydrophobicContact CD-CG2 4.28Å; K1044-V1099 HydrophobicContact CG-CG2 3.95Å
1045L88.1Confident84Confident0 Ų040.8 Ų40.80%024%0.242CC..EExtended strand (participates in β ladder)trans-94124.5169.3174.958.6000109.6L1014 Q1015 W1016 L1056 I1089 V1092 S1097 S1098L1014-L1045 HydrophobicContact CB-CD1 3.95Å; L1014-L1045 HydrophobicContact CD2-CD1 4.19Å; L1014-L1045 HydrophobicContact CG-CD1 4.47Å; Q1015-L1045 CarbonylContact O-C 3.6Å; Q1015-L1045 WeakPolarHBondContact O-CA 3.43Å; W1016-L1045 HydrophobicContact CD2-CD1 3.86Å; W1016-L1045 HydrophobicContact CE3-CB 4.01Å; W1016-L1045 HydrophobicContact CE3-CD1 4.09Å; W1016-L1045 HydrophobicContact CH2-CB 4.16Å; W1016-L1045 HydrophobicContact CH2-CD1 3.9Å; W1016-L1045 HydrophobicContact CH2-CD2 3.82Å; W1016-L1045 HydrophobicContact CH2-CG 4.17Å; W1016-L1045 HydrophobicContact CZ2-CD1 3.61Å; W1016-L1045 HydrophobicContact CZ2-CD2 4.14Å; W1016-L1045 HydrophobicContact CZ2-CG 4.36Å; W1016-L1045 HydrophobicContact CZ3-CB 3.78Å; W1016-L1045 HydrophobicContact CZ3-CD1 4.13Å; W1016-L1045 HydrophobicContact CZ3-CD2 4.31Å; W1016-L1045 HydrophobicContact CZ3-CG 4.29Å; L1045-L1056 HydrophobicContact CD2-CD1 3.71Å; L1045-I1089 HydrophobicContact CD2-CD1 4.4Å; L1045-I1089 HydrophobicContact CD2-CG2 4.18Å; L1045-V1092 HydrophobicContact CD2-CG2 4.06Å; L1045-S1097 CarbonylContact O-C 3.56Å; L1045-S1097 WeakPolarHBondContact O-CA 3.37Å; L1045-S1098 PolarHBondContact N-O 3.36Å; L1045-S1098 PolarHBondContact O-N 2.98Å
1046T87.3Confident84.2Confident22 Ų2239.6 Ų39.614%0.13523%0.234CC..EExtended strand (participates in β ladder)trans-114.3123.8170.3-56.60000110Q1015 L1048 S1097Q1015-T1046 PolarHBondContact N-O 2.96Å; Q1015-T1046 PolarHBondContact O-N 3.2Å; T1046-L1048 HydrophobicContact CG2-CD2 4.16Å; T1046-S1097 PolarHBondContact OG1-OG 3.49Å
1047N86.6Confident84.5Confident0 Ų038 Ų380%022%0.216CC..EExtended strand (participates in β ladder)trans-89.1107.8-180-178.38.2000110.6L1014 N1049 N1051 V1092 R1095 E1096L1014-N1047 HydrophobicContact CD2-CB 4.3Å; N1047-N1049 WeakPolarHBondContact OD1-CA 3.29Å; N1047-N1049 WeakPolarHBondContact OD1-CB 3.39Å; N1047-N1049 PolarHBondContact OD1-N 3.38Å; N1047-N1051 PolarHBondContact ND2-O 2.88Å; N1047-V1092 HydrophobicContact CB-CB 4.27Å; N1047-V1092 HydrophobicContact CB-CG1 3.77Å; N1047-V1092 PolarHBondContact ND2-O 3.01Å; N1047-R1095 VanDerWaalsContact O-CA 3.25Å; N1047-R1095 WeakPolarHBondContact O-CA 3.33Å; N1047-R1095 PolarHBondContact O-N 3.06Å; N1047-E1096 PolarHBondContact N-O 3.09Å
1048L80.3Confident84.6Confident61 Ų6133.9 Ų33.932%0.31919%0.194SC..  trans-94.1-3.3173.5-59.2-177.7000112.9L1011 P1013 Q1015 T1046L1011-L1048 HydrophobicContact CD2-CD1 4.16Å; P1013-L1048 WeakPolarHBondContact O-CA 3.43Å; P1013-L1048 WeakPolarHBondContact O-CB 3.24Å; P1013-L1048 PolarHBondContact O-N 2.7Å; Q1015-L1048 HydrophobicContact CG-CD1 3.48Å; Q1015-L1048 VanDerWaalsContact CG-CD1 3.48Å; Q1015-L1048 HydrophobicContact CG-CG 4.03Å; T1046-L1048 HydrophobicContact CG2-CD2 4.16Å
1049N78.7Confident84.8Confident14 Ų1432.7 Ų32.78%0.07518%0.181CC..SBendtrans-73.9155.6177.4-163.81.7000111.6P1013 N1047 N1051 P1094 W1131P1013-N1049 HydrophobicContact CB-CB 3.99Å; P1013-N1049 PolarHBondContact O-N 2.89Å; N1047-N1049 WeakPolarHBondContact OD1-CA 3.29Å; N1047-N1049 WeakPolarHBondContact OD1-CB 3.39Å; N1047-N1049 PolarHBondContact OD1-N 3.38Å; N1049-N1051 PolarHBondContact O-N 3.39Å; N1049-P1094 VanDerWaalsContact O-CB 3.25Å; N1049-P1094 WeakPolarHBondContact O-CB 3.17Å; N1049-W1131 WeakPolarHBondContact ND2-CH2 3.34Å; N1049-W1131 VanDerWaalsContact ND2-CZ3 3.25Å; N1049-W1131 WeakPolarHBondContact ND2-CZ3 3.48Å
1050K76.2Confident84.8Confident93 Ų9332.6 Ų32.640%0.40418%0.181SC..SBendtrans-71.3-17.4175.4-67.6177.2-178.5162.40113.5E945 P1094E945-K1050 WeakPolarHBondContact O-CE 3.35Å; E945-K1050 PolarHBondContact O-NZ 2.89Å; E945-K1050 WeakPolarHBondContact OE2-CE 3.27Å; E945-K1050 IonicContact OE2-NZ 3.45Å; K1050-P1094 VanDerWaalsContact C-CG 3.49Å; K1050-P1094 WeakPolarHBondContact O-CG 3.31Å
1051N80.6Confident84.7Confident104 Ų10431.4 Ų31.456%0.55617%0.171SC*.SBendtrans-106.4147.9-179.2-62.9-43.2000111.1N1047 N1049N1047-N1051 PolarHBondContact ND2-O 2.88Å; N1049-N1051 PolarHBondContact O-N 3.39Å
1052P80.8Confident84.7Confident77 Ų7732 Ų3250%0.518%0.175SC..  trans-62.9143.9169.728-33.8000110.6V1091 V1092P1052-V1091 HydrophobicContact CB-CG1 3.63Å; P1052-V1092 WeakPolarHBondContact CA-O 3.24Å
1053V82.8Confident84.7Confident5 Ų530.8 Ų30.83%0.0317%0.168CC..BIsolated β-bridgetrans-123.7135.4-177.4174.30000110.1L1014 L1056 V1091 V1092 L1127L1014-V1053 HydrophobicContact CD1-CG1 3.95Å; L1014-V1053 HydrophobicContact CD2-CB 4.19Å; L1014-V1053 HydrophobicContact CD2-CG1 4.11Å; L1014-V1053 HydrophobicContact CD2-CG2 4.01Å; V1053-L1056 HydrophobicContact CG1-CD1 4.11Å; V1053-L1056 HydrophobicContact CG1-CD2 4.47Å; V1053-V1091 CarbonylContact O-C 3.55Å; V1053-V1091 WeakPolarHBondContact O-CA 3.49Å; V1053-V1092 PolarHBondContact N-O 3.49Å; V1053-V1092 PolarHBondContact O-N 2.94Å; V1053-L1127 HydrophobicContact CG1-CD1 3.81Å
1054G78.4Confident84.6Confident16 Ų1632.3 Ų32.317%0.16517%0.174CC..  trans113.9-178.7-179.400000113.7
1055P83.9Confident84.1Confident39 Ų3931.5 Ų31.525%0.25317%0.173SC..  cis-70.1144.66.428.9-34.7000113.4F1088 I1089 D1121P1055-F1088 HydrophobicContact CB-CE1 3.81Å; P1055-F1088 HydrophobicContact CB-CE2 4.3Å; P1055-F1088 HydrophobicContact CB-CZ 3.47Å; P1055-F1088 VanDerWaalsContact CB-CZ 3.47Å; P1055-F1088 HydrophobicContact CG-CZ 4.17Å; P1055-I1089 CarbonylContact C-O 3.58Å; P1055-I1089 VanDerWaalsContact CA-O 3.31Å; P1055-I1089 WeakPolarHBondContact CA-O 3.33Å; P1055-D1121 PolarHBondContact O-N 3.34Å
1056L86.3Confident83.4Confident0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-120148-179.8-54174.1000110.4W1016 L1045 V1053 I1089 V1118 Q1119 D1120 F1132W1016-L1056 HydrophobicContact CH2-CD1 4.35Å; W1016-L1056 HydrophobicContact CZ2-CD1 4.49Å; L1045-L1056 HydrophobicContact CD2-CD1 3.71Å; V1053-L1056 HydrophobicContact CG1-CD1 4.11Å; V1053-L1056 HydrophobicContact CG1-CD2 4.47Å; L1056-I1089 HydrophobicContact CB-CB 4.24Å; L1056-I1089 PolarHBondContact N-O 3.32Å; L1056-I1089 PolarHBondContact O-N 3.38Å; L1056-V1118 HydrophobicContact CB-CG1 4.08Å; L1056-V1118 HydrophobicContact CD1-CG1 4.17Å; L1056-V1118 HydrophobicContact CD2-CG1 4.39Å; L1056-V1118 HydrophobicContact CG-CG1 4.45Å; L1056-Q1119 WeakPolarHBondContact CA-O 3.45Å; L1056-D1120 HydrophobicContact CD2-CB 3.85Å; L1056-F1132 HydrophobicContact CD1-CE1 4.2Å; L1056-F1132 HydrophobicContact CD2-CE1 4.03Å; L1056-F1132 HydrophobicContact CD2-CZ 4.42Å
1057S86.6Confident82.4Confident12 Ų1245.6 Ų45.68%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-111.7119167.747.70000110.5F1087 V1118 Q1119 D1121S1057-F1087 WeakPolarHBondContact CA-O 3.3Å; S1057-V1118 CarbonylContact O-C 3.55Å; S1057-V1118 WeakPolarHBondContact O-CA 3.36Å; S1057-Q1119 PolarHBondContact N-O 3.22Å; S1057-Q1119 PolarHBondContact O-N 2.99Å; S1057-Q1119 PolarHBondContact OG-O 3.19Å; S1057-D1121 PolarHBondContact OG-OD2 3.16Å
1058L87.6Confident81.6Confident0 Ų050.7 Ų50.70%026%0.26CS..EExtended strand (participates in β ladder)trans-99.6113.3177.417269.8000109.1V1043 V1060 T1086 F1087 I1089 C1100 M1116 V1118 L1134V1043-L1058 HydrophobicContact CB-CD2 3.78Å; V1043-L1058 HydrophobicContact CG1-CD2 3.64Å; V1043-L1058 HydrophobicContact CG2-CD2 4.08Å; L1058-V1060 HydrophobicContact CG-CG2 4.43Å; L1058-T1086 CarbonylContact O-C 3.54Å; L1058-T1086 VanDerWaalsContact O-CA 3.32Å; L1058-T1086 WeakPolarHBondContact O-CA 3.38Å; L1058-F1087 HydrophobicContact CB-CB 4.45Å; L1058-F1087 HydrophobicContact CD2-CD2 4.34Å; L1058-F1087 HydrophobicContact CG-CD2 4.49Å; L1058-F1087 PolarHBondContact N-O 2.79Å; L1058-F1087 PolarHBondContact O-N 2.79Å; L1058-I1089 HydrophobicContact CB-CD1 4.16Å; L1058-C1100 HydrophobicContact CD2-CB 4.42Å; L1058-M1116 HydrophobicContact CD1-CB 4.1Å; L1058-V1118 HydrophobicContact CD1-CG2 3.65Å; L1058-L1134 HydrophobicContact CD1-CD1 4.34Å
1059T87.2Confident81Confident34 Ų3451 Ų5121%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-105.9125.6175.2-56.70000110.2M1061 N1085 T1086 M1116 K1117T1059-M1061 HydrophobicContact CG2-CG 4.23Å; T1059-N1085 WeakPolarHBondContact CA-O 3.46Å; T1059-T1086 WeakPolarHBondContact CG2-OG1 3.38Å; T1059-T1086 WeakPolarHBondContact OG1-CG2 3.38Å; T1059-T1086 PolarHBondContact OG1-OG1 3.22Å; T1059-M1116 WeakPolarHBondContact O-CA 3.43Å; T1059-K1117 PolarHBondContact N-O 3.46Å; T1059-K1117 PolarHBondContact O-N 2.97Å
1060V87.5Confident80.8Confident0 Ų054.7 Ų54.70%030%0.301CS..EExtended strand (participates in β ladder)trans-102.9123.3178-1740000108.8L1041 L1058 F1081 N1085 F1087 L1114 M1116L1041-V1060 HydrophobicContact CD2-CB 4.41Å; L1041-V1060 HydrophobicContact CD2-CG1 3.87Å; L1041-V1060 HydrophobicContact CD2-CG2 3.97Å; L1058-V1060 HydrophobicContact CG-CG2 4.43Å; V1060-F1081 HydrophobicContact CB-CE1 4.07Å; V1060-F1081 HydrophobicContact CB-CZ 3.82Å; V1060-F1081 HydrophobicContact CG1-CE1 4.28Å; V1060-F1081 HydrophobicContact CG1-CZ 3.88Å; V1060-F1081 WeakPolarHBondContact O-CZ 3.43Å; V1060-N1085 PolarHBondContact N-O 3.2Å; V1060-F1087 HydrophobicContact CG2-CD2 4.25Å; V1060-F1087 HydrophobicContact CG2-CE2 3.85Å; V1060-L1114 HydrophobicContact CG1-CB 4.07Å; V1060-L1114 HydrophobicContact CG1-CD1 4.26Å; V1060-L1114 HydrophobicContact CG1-CD2 4.33Å; V1060-L1114 HydrophobicContact CG1-CG 4.46Å; V1060-M1116 HydrophobicContact CG1-CE 4.28Å; V1060-M1116 HydrophobicContact CG1-CG 4.23Å; V1060-M1116 HydrophobicContact CG2-CG 4.17Å
1061M87.2Confident81.1Confident47 Ų4754.6 Ų54.623%0.23230%0.302CS..EExtended strand (participates in β ladder)trans-121.6107.2-178.7-71.3169.73500109.5T1059 Y1073 N1115 K1117T1059-M1061 HydrophobicContact CG2-CG 4.23Å; M1061-Y1073 HydrophobicContact CB-CD1 4.26Å; M1061-Y1073 HydrophobicContact CB-CE1 4.28Å; M1061-Y1073 HydrophobicContact CE-CD1 3.37Å; M1061-Y1073 HydrophobicContact CE-CE1 3.37Å; M1061-Y1073 HydrophobicContact CE-CG 4.18Å; M1061-N1115 HydrophobicContact CB-CB 4.43Å; M1061-N1115 PolarHBondContact N-O 2.73Å; M1061-N1115 PolarHBondContact O-N 2.92Å; M1061-K1117 HydrophobicContact SD-CD 4.05Å
1062P87.3Confident81.2Confident17 Ų1751.9 Ų51.911%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-65.9143.9170.628.6-33.6000109.5L1075 V1079 F1081 L1104 Y1113 L1114P1062-L1075 HydrophobicContact CB-CD1 4.16Å; P1062-V1079 HydrophobicContact CB-CB 4.32Å; P1062-V1079 HydrophobicContact CB-CG1 4.06Å; P1062-V1079 HydrophobicContact CB-CG2 4.41Å; P1062-V1079 HydrophobicContact CG-CB 4.08Å; P1062-V1079 HydrophobicContact CG-CG1 3.87Å; P1062-F1081 HydrophobicContact CG-CE2 4.05Å; P1062-L1104 HydrophobicContact CB-CD2 4.41Å; P1062-L1104 HydrophobicContact CG-CD2 4.39Å; P1062-Y1113 CarbonylContact C-O 3.6Å; P1062-Y1113 VanDerWaalsContact CA-O 3.31Å; P1062-Y1113 WeakPolarHBondContact CA-O 3.45Å; P1062-L1114 HydrophobicContact CB-CD2 3.97Å
1063Y88.3Confident81.3Confident36 Ų3651.7 Ų51.714%0.14128%0.277CS..EExtended strand (participates in β ladder)trans-144160.1171.172.5-83.8000109.9D1065 Q1071 N1072 Y1073 Y1113 N1115Y1063-D1065 HydrophobicContact CE2-CB 4.11Å; Y1063-Q1071 HydrophobicContact CD2-CB 3.88Å; Y1063-Q1071 HydrophobicContact CD2-CG 3.91Å; Y1063-Q1071 HydrophobicContact CE2-CB 4.33Å; Y1063-Q1071 HydrophobicContact CE2-CG 3.83Å; Y1063-N1072 CarbonylContact C-O 3.57Å; Y1063-N1072 WeakPolarHBondContact CA-O 3.47Å; Y1063-N1072 WeakPolarHBondContact CB-O 3.39Å; Y1063-Y1073 AromaticContact CD1-CE1 3.97Å; Y1063-Y1073 HydrophobicContact CD1-CE1 3.97Å; Y1063-Y1073 HydrophobicContact CG-CD1 4.48Å; Y1063-Y1073 AromaticContact CG-CE1 3.96Å; Y1063-Y1073 HydrophobicContact CG-CE1 3.96Å; Y1063-Y1113 VanDerWaalsContact CD1-O 3.27Å; Y1063-Y1113 WeakPolarHBondContact CD1-O 3.46Å; Y1063-Y1113 HydrophobicContact CE1-CG 4.47Å; Y1063-Y1113 HydrophobicContact CE2-CD2 4.15Å; Y1063-Y1113 HydrophobicContact CE2-CG 4.14Å; Y1063-Y1113 AromaticContact CZ-CG 3.95Å; Y1063-Y1113 PolarHBondContact N-O 3.45Å; Y1063-Y1113 PolarHBondContact O-N 3.48Å; Y1063-Y1113 WeakPolarHBondContact OH-CB 3.46Å; Y1063-N1115 HydrophobicContact CD1-CB 3.81Å; Y1063-N1115 HydrophobicContact CE1-CB 3.83Å
1064Q85.8Confident81.3Confident33 Ų3357.4 Ų57.415%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-110.8140.3167.8-71.2-173-4100109.3N1072 L1075 F1112Q1064-N1072 PolarHBondContact N-O 2.88Å; Q1064-N1072 PolarHBondContact O-N 3.36Å; Q1064-L1075 HydrophobicContact CG-CD1 4.18Å; Q1064-L1075 HydrophobicContact CG-CD2 4.02Å; Q1064-F1112 HydrophobicContact CG-CD1 3.49Å; Q1064-F1112 VanDerWaalsContact CG-CD1 3.49Å; Q1064-F1112 HydrophobicContact CG-CE1 3.71Å; Q1064-F1112 HydrophobicContact CG-CG 4.28Å
1065D78.9Confident81.5Confident51 Ų5157 Ų5727%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-113.6122.9172.9-167.3-20.5000108.8Y1063 Q1067 Y1113Y1063-D1065 HydrophobicContact CE2-CB 4.11Å; D1065-Q1067 PolarHBondContact O-N 2.94Å; D1065-Q1067 WeakPolarHBondContact OD1-CA 3.27Å; D1065-Q1067 PolarHBondContact OD1-N 2.86Å; D1065-Y1113 HydrophobicContact CB-CD2 4.1Å; D1065-Y1113 HydrophobicContact CB-CE2 3.96Å
1066Y74.3Confident81.1Confident140 Ų14061.5 Ų61.555%0.54932%0.324SS..  trans-87.314177.7-58.5-72.7000112.8N1068 N1072Y1066-N1068 PolarHBondContact O-N 3.45Å; Y1066-N1072 HydrophobicContact CE2-CB 3.9Å
1067Q66.1Low80.7Confident178 Ų17869.2 Ų69.283%0.83236%0.359SS*.SBendtrans62.320.6-178.1-54.3-179.5-2.700113.8D1065D1065-Q1067 PolarHBondContact O-N 2.94Å; D1065-Q1067 WeakPolarHBondContact OD1-CA 3.27Å; D1065-Q1067 PolarHBondContact OD1-N 2.86Å
1068N69.9Low80.5Confident107 Ų10769.2 Ų69.257%0.57236%0.361SS*.SBendtrans-110.47.7174.865.83.2000112.5Y1066 V1070Y1066-N1068 PolarHBondContact O-N 3.45Å; N1068-V1070 VanDerWaalsContact C-N 3.31Å; N1068-V1070 WeakPolarHBondContact OD1-CB 3.17Å; N1068-V1070 PolarHBondContact OD1-N 3.41Å
1069G67.3Low80.4Confident68 Ų6869.6 Ų69.670%0.70136%0.363SS*.SBendtrans81.41.4-178.400000114.8
1070V74.1Confident80.3Confident91 Ų9171 Ų7155%0.55237%0.372SS*.  trans-98.1114.1175.1-176.40000109.5N1068N1068-V1070 VanDerWaalsContact C-N 3.31Å; N1068-V1070 WeakPolarHBondContact OD1-CB 3.17Å; N1068-V1070 PolarHBondContact OD1-N 3.41Å
1071Q82.7Confident80.2Confident91 Ų9172.7 Ų72.743%0.42538%0.379SS..EExtended strand (participates in β ladder)trans-85.7117.6175.6-63.4178.3-15.500109.9Y1063 Y1073Y1063-Q1071 HydrophobicContact CD2-CB 3.88Å; Y1063-Q1071 HydrophobicContact CD2-CG 3.91Å; Y1063-Q1071 HydrophobicContact CE2-CB 4.33Å; Y1063-Q1071 HydrophobicContact CE2-CG 3.83Å; Q1071-Y1073 HydrophobicContact CB-CD2 4.19Å; Q1071-Y1073 HydrophobicContact CB-CE2 3.52Å; Q1071-Y1073 PolarHBondContact OE1-OH 3.36Å
1072N82.6Confident79.9Confident47 Ų4774.6 Ų74.625%0.25139%0.393SS..EExtended strand (participates in β ladder)trans-92112.6175.2-176.730.6000110.9Y1063 Q1064 Y1066 D1074Y1063-N1072 CarbonylContact C-O 3.57Å; Y1063-N1072 WeakPolarHBondContact CA-O 3.47Å; Y1063-N1072 WeakPolarHBondContact CB-O 3.39Å; Q1064-N1072 PolarHBondContact N-O 2.88Å; Q1064-N1072 PolarHBondContact O-N 3.36Å; Y1066-N1072 HydrophobicContact CE2-CB 3.9Å; N1072-D1074 PolarHBondContact OD1-N 3.04Å
1073Y83.4Confident79.6Confident74 Ų7476.8 Ų76.829%0.2942%0.419SS..  trans-99.1-10.4177.5-69.5-85.3000113.4M1061 Y1063 Q1071 L1075 N1115M1061-Y1073 HydrophobicContact CB-CD1 4.26Å; M1061-Y1073 HydrophobicContact CB-CE1 4.28Å; M1061-Y1073 HydrophobicContact CE-CD1 3.37Å; M1061-Y1073 HydrophobicContact CE-CE1 3.37Å; M1061-Y1073 HydrophobicContact CE-CG 4.18Å; Y1063-Y1073 AromaticContact CD1-CE1 3.97Å; Y1063-Y1073 HydrophobicContact CD1-CE1 3.97Å; Y1063-Y1073 HydrophobicContact CG-CD1 4.48Å; Y1063-Y1073 AromaticContact CG-CE1 3.96Å; Y1063-Y1073 HydrophobicContact CG-CE1 3.96Å; Q1071-Y1073 HydrophobicContact CB-CD2 4.19Å; Q1071-Y1073 HydrophobicContact CB-CE2 3.52Å; Q1071-Y1073 PolarHBondContact OE1-OH 3.36Å; Y1073-L1075 VanDerWaalsContact C-N 3.29Å; Y1073-L1075 PolarHBondContact O-N 3.35Å; Y1073-N1115 HydrophobicContact CE1-CB 4.05Å; Y1073-N1115 PolarHBondContact OH-ND2 2.93Å
1074D81.8Confident79.2Confident124 Ų12478.4 Ų78.466%0.66344%0.436SS*.  trans-81.481.3179.1-164.31.5000109N1072N1072-D1074 PolarHBondContact OD1-N 3.04Å
1075L83.3Confident79.2Confident7 Ų780.2 Ų80.24%0.03745%0.446CS..  trans-119.619.1-174.2-63.4-178.5000112.2P1062 Q1064 Y1073 E1077 A1078 V1079 F1112P1062-L1075 HydrophobicContact CB-CD1 4.16Å; Q1064-L1075 HydrophobicContact CG-CD1 4.18Å; Q1064-L1075 HydrophobicContact CG-CD2 4.02Å; Y1073-L1075 VanDerWaalsContact C-N 3.29Å; Y1073-L1075 PolarHBondContact O-N 3.35Å; L1075-E1077 PolarHBondContact O-N 2.94Å; L1075-E1077 VanDerWaalsContact O-N 3.13Å; L1075-A1078 HydrophobicContact CB-CB 4.36Å; L1075-A1078 HydrophobicContact CD2-CB 4.27Å; L1075-A1078 CarbonylContact O-C 3.53Å; L1075-A1078 WeakPolarHBondContact O-CA 3.4Å; L1075-A1078 PolarHBondContact O-N 3.21Å; L1075-V1079 HydrophobicContact CB-CG2 4.43Å; L1075-V1079 HydrophobicContact CD1-CG2 4.21Å; L1075-V1079 PolarHBondContact O-N 3.37Å; L1075-F1112 HydrophobicContact CD1-CD1 4.11Å; L1075-F1112 HydrophobicContact CD1-CE1 4.38Å
1076D75.6Confident79.5Confident135 Ų13580.3 Ų80.372%0.72245%0.449SS*.THydrogen-bonded Turntrans-58.5-30.4-175.2-72.9-13.2000112.6
1077E78.3Confident80.1Confident161 Ų16175 Ų7575%0.75243%0.428SS*.THydrogen-bonded Turntrans-86.1-11.3175.1-60.8-169166.500113.4L1075 L1107 Y1108L1075-E1077 PolarHBondContact O-N 2.94Å; L1075-E1077 VanDerWaalsContact O-N 3.13Å; E1077-L1107 WeakPolarHBondContact O-CD1 3.4Å; E1077-Y1108 VanDerWaalsContact O-CE2 3.25Å; E1077-Y1108 WeakPolarHBondContact O-CE2 3.49Å
1078A81.1Confident81Confident13 Ų1372.5 Ų72.511%0.10742%0.415CS..THydrogen-bonded Turntrans-115.6-31.8-168.800000115.4L1075 L1107 Y1108L1075-A1078 HydrophobicContact CB-CB 4.36Å; L1075-A1078 HydrophobicContact CD2-CB 4.27Å; L1075-A1078 CarbonylContact O-C 3.53Å; L1075-A1078 WeakPolarHBondContact O-CA 3.4Å; L1075-A1078 PolarHBondContact O-N 3.21Å; A1078-L1107 WeakPolarHBondContact O-CB 3.42Å; A1078-L1107 PolarHBondContact O-N 2.95Å; A1078-Y1108 HydrophobicContact CB-CD2 3.71Å; A1078-Y1108 HydrophobicContact CB-CE2 4.31Å
1079V86.4Confident81.8Confident8 Ų867.5 Ų67.55%0.04839%0.388CS..EExtended strand (participates in β ladder)trans-136.9129.9177.8-172.30000108.5P1062 L1075 L1104 L1105 F1106 F1112P1062-V1079 HydrophobicContact CB-CB 4.32Å; P1062-V1079 HydrophobicContact CB-CG1 4.06Å; P1062-V1079 HydrophobicContact CB-CG2 4.41Å; P1062-V1079 HydrophobicContact CG-CB 4.08Å; P1062-V1079 HydrophobicContact CG-CG1 3.87Å; L1075-V1079 HydrophobicContact CB-CG2 4.43Å; L1075-V1079 HydrophobicContact CD1-CG2 4.21Å; L1075-V1079 PolarHBondContact O-N 3.37Å; V1079-L1104 HydrophobicContact CG1-CB 4.42Å; V1079-L1104 HydrophobicContact CG1-CD2 3.95Å; V1079-L1105 WeakPolarHBondContact CA-O 3.43Å; V1079-F1106 HydrophobicContact CB-CD1 4.39Å; V1079-F1106 HydrophobicContact CG1-CD1 3.98Å; V1079-F1106 HydrophobicContact CG1-CE1 3.85Å; V1079-F1106 HydrophobicContact CG1-CZ 4.38Å; V1079-F1106 HydrophobicContact CG2-CD1 3.57Å; V1079-F1106 HydrophobicContact CG2-CE1 3.84Å; V1079-F1112 HydrophobicContact CG2-CD1 3.54Å; V1079-F1112 HydrophobicContact CG2-CE1 3.38Å; V1079-F1112 HydrophobicContact CG2-CG 4.38Å; V1079-F1112 HydrophobicContact CG2-CZ 4.13Å
1080T83.9Confident82.6Confident64 Ų6469.9 Ų69.939%0.39339%0.385SS..EExtended strand (participates in β ladder)trans-124.5141175.9-76.10000110L1105T1080-L1105 PolarHBondContact N-O 3.34Å; T1080-L1105 PolarHBondContact O-N 3.37Å
1081F85.1Confident83.2Confident35 Ų3569.2 Ų69.215%0.15438%0.381CS..EExtended strand (participates in β ladder)trans-81.3134.6170.7-81.7-97000111V1060 P1062 G1083 N1085 L1104V1060-F1081 HydrophobicContact CB-CE1 4.07Å; V1060-F1081 HydrophobicContact CB-CZ 3.82Å; V1060-F1081 HydrophobicContact CG1-CE1 4.28Å; V1060-F1081 HydrophobicContact CG1-CZ 3.88Å; V1060-F1081 WeakPolarHBondContact O-CZ 3.43Å; P1062-F1081 HydrophobicContact CG-CE2 4.05Å; F1081-G1083 PolarHBondContact O-N 2.76Å; F1081-N1085 HydrophobicContact CB-CB 4.48Å; F1081-N1085 HydrophobicContact CD1-CB 3.97Å; F1081-N1085 HydrophobicContact CD2-CB 3.58Å; F1081-N1085 HydrophobicContact CE1-CB 4.03Å; F1081-N1085 HydrophobicContact CE2-CB 3.62Å; F1081-N1085 HydrophobicContact CG-CB 3.75Å; F1081-N1085 HydrophobicContact CZ-CB 3.85Å; F1081-L1104 HydrophobicContact CD1-CD2 4.4Å; F1081-L1104 HydrophobicContact CD1-CG 4.01Å; F1081-L1104 HydrophobicContact CD2-CD2 4.46Å; F1081-L1104 HydrophobicContact CE1-CD1 4.02Å; F1081-L1104 HydrophobicContact CE1-CD2 3.79Å; F1081-L1104 HydrophobicContact CE1-CG 3.69Å; F1081-L1104 HydrophobicContact CE2-CD2 3.88Å; F1081-L1104 HydrophobicContact CE2-CG 4.49Å; F1081-L1104 HydrophobicContact CZ-CD1 4.48Å; F1081-L1104 HydrophobicContact CZ-CD2 3.49Å; F1081-L1104 VanDerWaalsContact CZ-CD2 3.49Å; F1081-L1104 HydrophobicContact CZ-CG 3.96Å
1082V81.8Confident83.3Confident86 Ų8665.1 Ų65.152%0.52136%0.362SS..EExtended strand (participates in β ladder)trans-8388.9164.3-175.30000106.9A1103 L1105V1082-A1103 HydrophobicContact CB-CB 4.08Å; V1082-A1103 HydrophobicContact CG2-CB 4.36Å; V1082-A1103 PolarHBondContact N-O 3.31Å; V1082-L1105 HydrophobicContact CG2-CB 4.39Å
1083G80.4Confident83.5Confident64 Ų6468.6 Ų68.666%0.6638%0.375SS*.SBendtrans109.8-149.4-176.400000113.1F1081F1081-G1083 PolarHBondContact O-N 2.76Å
1084S81Confident83.5Confident70 Ų7067.6 Ų67.649%0.4938%0.378SS..  trans-80142.4177.2-174.60000110.7T1086S1084-T1086 VanDerWaalsContact C-N 3.32Å; S1084-T1086 WeakPolarHBondContact CB-O 3.49Å; S1084-T1086 PolarHBondContact OG-N 2.81Å; S1084-T1086 VanDerWaalsContact OG-N 3.11Å; S1084-T1086 PolarHBondContact OG-O 2.76Å
1085N84.4Confident83.5Confident71 Ų7171.5 Ų71.538%0.3838%0.383SS..SBendtrans-85.3-9168.266.7-20.1000112.7T1059 V1060 F1081T1059-N1085 WeakPolarHBondContact CA-O 3.46Å; V1060-N1085 PolarHBondContact N-O 3.2Å; F1081-N1085 HydrophobicContact CB-CB 4.48Å; F1081-N1085 HydrophobicContact CD1-CB 3.97Å; F1081-N1085 HydrophobicContact CD2-CB 3.58Å; F1081-N1085 HydrophobicContact CE1-CB 4.03Å; F1081-N1085 HydrophobicContact CE2-CB 3.62Å; F1081-N1085 HydrophobicContact CG-CB 3.75Å; F1081-N1085 HydrophobicContact CZ-CB 3.85Å
1086T85.9Confident83.7Confident53 Ų5375.7 Ų75.733%0.32540%0.403SS..EExtended strand (participates in β ladder)trans-113124174.3-570000110.3L1058 T1059 S1084L1058-T1086 CarbonylContact O-C 3.54Å; L1058-T1086 VanDerWaalsContact O-CA 3.32Å; L1058-T1086 WeakPolarHBondContact O-CA 3.38Å; T1059-T1086 WeakPolarHBondContact CG2-OG1 3.38Å; T1059-T1086 WeakPolarHBondContact OG1-CG2 3.38Å; T1059-T1086 PolarHBondContact OG1-OG1 3.22Å; S1084-T1086 VanDerWaalsContact C-N 3.32Å; S1084-T1086 WeakPolarHBondContact CB-O 3.49Å; S1084-T1086 PolarHBondContact OG-N 2.81Å; S1084-T1086 VanDerWaalsContact OG-N 3.11Å; S1084-T1086 PolarHBondContact OG-O 2.76Å
1087F87.1Confident84.3Confident28 Ų2872.1 Ų72.112%0.12339%0.388CS..EExtended strand (participates in β ladder)trans-105.6135.1177.4-53.1-84.1000109.9S1057 L1058 V1060 C1100 E1101S1057-F1087 WeakPolarHBondContact CA-O 3.3Å; L1058-F1087 HydrophobicContact CB-CB 4.45Å; L1058-F1087 HydrophobicContact CD2-CD2 4.34Å; L1058-F1087 HydrophobicContact CG-CD2 4.49Å; L1058-F1087 PolarHBondContact N-O 2.79Å; L1058-F1087 PolarHBondContact O-N 2.79Å; V1060-F1087 HydrophobicContact CG2-CD2 4.25Å; V1060-F1087 HydrophobicContact CG2-CE2 3.85Å; F1087-C1100 HydrophobicContact CB-CB 3.88Å; F1087-C1100 HydrophobicContact CD1-CB 4.15Å; F1087-C1100 HydrophobicContact CD2-CB 4.44Å; F1087-C1100 HydrophobicContact CG-CB 3.89Å; F1087-E1101 VanDerWaalsContact CE1-O 3.26Å; F1087-E1101 WeakPolarHBondContact CE1-O 3.48Å
1088F85.6Confident84.7Confident125 Ų12566.1 Ų66.155%0.54836%0.364SS..EExtended strand (participates in β ladder)trans-97.5123.6176.2-164-96.4000109.6P1055P1055-F1088 HydrophobicContact CB-CE1 3.81Å; P1055-F1088 HydrophobicContact CB-CE2 4.3Å; P1055-F1088 HydrophobicContact CB-CZ 3.47Å; P1055-F1088 VanDerWaalsContact CB-CZ 3.47Å; P1055-F1088 HydrophobicContact CG-CZ 4.17Å
1089I86.5Confident85.1Confident2 Ų268.4 Ų68.41%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-106.5113.8178.7-58.9170.3000107.4W1016 L1045 P1055 L1056 L1058 V1092 C1100W1016-I1089 HydrophobicContact CH2-CD1 4.08Å; W1016-I1089 HydrophobicContact CZ3-CD1 4.03Å; L1045-I1089 HydrophobicContact CD2-CD1 4.4Å; L1045-I1089 HydrophobicContact CD2-CG2 4.18Å; P1055-I1089 CarbonylContact C-O 3.58Å; P1055-I1089 VanDerWaalsContact CA-O 3.31Å; P1055-I1089 WeakPolarHBondContact CA-O 3.33Å; L1056-I1089 HydrophobicContact CB-CB 4.24Å; L1056-I1089 PolarHBondContact N-O 3.32Å; L1056-I1089 PolarHBondContact O-N 3.38Å; L1058-I1089 HydrophobicContact CB-CD1 4.16Å; I1089-V1092 HydrophobicContact CG2-CG2 3.71Å; I1089-C1100 WeakPolarHBondContact CG1-SG 3.19Å
1090D84.2Confident85.1Confident118 Ų11868.5 Ų68.563%0.63138%0.377SS*.  trans-63.5170.3172.6-84.7-34.9000111.8V1092D1090-V1092 WeakPolarHBondContact O-CG2 3.29Å; D1090-V1092 PolarHBondContact O-N 3.43Å
1091V85.8Confident85.3Confident77 Ų7772.6 Ų72.647%0.46739%0.392SS..  trans-56.5111.4179.6-176.90000111.1P1052 V1053P1052-V1091 HydrophobicContact CB-CG1 3.63Å; V1053-V1091 CarbonylContact O-C 3.55Å; V1053-V1091 WeakPolarHBondContact O-CA 3.49Å
1092V86.3Confident85.3Confident6 Ų671.9 Ų71.94%0.03639%0.394CS..BIsolated β-bridgetrans-88.2117.7178.5-170.30000109.4L1045 N1047 P1052 V1053 I1089 D1090 E1096L1045-V1092 HydrophobicContact CD2-CG2 4.06Å; N1047-V1092 HydrophobicContact CB-CB 4.27Å; N1047-V1092 HydrophobicContact CB-CG1 3.77Å; N1047-V1092 PolarHBondContact ND2-O 3.01Å; P1052-V1092 WeakPolarHBondContact CA-O 3.24Å; V1053-V1092 PolarHBondContact N-O 3.49Å; V1053-V1092 PolarHBondContact O-N 2.94Å; I1089-V1092 HydrophobicContact CG2-CG2 3.71Å; D1090-V1092 WeakPolarHBondContact O-CG2 3.29Å; D1090-V1092 PolarHBondContact O-N 3.43Å; V1092-E1096 HydrophobicContact CG1-CB 4.19Å; V1092-E1096 WeakPolarHBondContact CG1-O 3.42Å
1093K86.2Confident85.5Confident119 Ų11968.4 Ų68.452%0.51737%0.374SS..PPolyproline II helixtrans-72.9161.6179.2-61179.6-169.3155.20111.7R1095 E1096K1093-R1095 PolarHBondContact O-N 3.27Å; K1093-E1096 HydrophobicContact CB-CB 4.43Å; K1093-E1096 HydrophobicContact CB-CG 4.12Å; K1093-E1096 WeakPolarHBondContact CB-OE2 3.41Å; K1093-E1096 WeakPolarHBondContact O-CB 3.18Å; K1093-E1096 PolarHBondContact O-N 3.4Å
1094P83.3Confident85.9Confident53 Ų5365.5 Ų65.534%0.34434%0.344SS..THydrogen-bonded Turntrans-50.4130.7173.3-29.937.9000112.2N1049 K1050 E1096N1049-P1094 VanDerWaalsContact O-CB 3.25Å; N1049-P1094 WeakPolarHBondContact O-CB 3.17Å; K1050-P1094 VanDerWaalsContact C-CG 3.49Å; K1050-P1094 WeakPolarHBondContact O-CG 3.31Å; P1094-E1096 PolarHBondContact O-N 2.77Å
1095R81.6Confident86.2Confident207 Ų20764.3 Ų64.378%0.78133%0.332SS*.THydrogen-bonded Turntrans63.88.4-177.6-56-174.7171-165.9-3.5116.2N1047 K1093N1047-R1095 VanDerWaalsContact O-CA 3.25Å; N1047-R1095 WeakPolarHBondContact O-CA 3.33Å; N1047-R1095 PolarHBondContact O-N 3.06Å; K1093-R1095 PolarHBondContact O-N 3.27Å
1096E87.3Confident86.3Confident95 Ų9561 Ų6144%0.44431%0.314SS..  trans-91.3159.9170-67.9-177.8177.700110.7N1047 V1092 K1093 P1094N1047-E1096 PolarHBondContact N-O 3.09Å; V1092-E1096 HydrophobicContact CG1-CB 4.19Å; V1092-E1096 WeakPolarHBondContact CG1-O 3.42Å; K1093-E1096 HydrophobicContact CB-CB 4.43Å; K1093-E1096 HydrophobicContact CB-CG 4.12Å; K1093-E1096 WeakPolarHBondContact CB-OE2 3.41Å; K1093-E1096 WeakPolarHBondContact O-CB 3.18Å; K1093-E1096 PolarHBondContact O-N 3.4Å; P1094-E1096 PolarHBondContact O-N 2.77Å
1097S87.7Confident86.3Confident60 Ų6061.9 Ų61.942%0.4232%0.316SS..EExtended strand (participates in β ladder)trans-119.7144.1175.5-44.60000110.1K1044 L1045 T1046K1044-S1097 VanDerWaalsContact CE-CB 3.45Å; K1044-S1097 WeakPolarHBondContact CE-OG 3.31Å; L1045-S1097 CarbonylContact O-C 3.56Å; L1045-S1097 WeakPolarHBondContact O-CA 3.37Å; T1046-S1097 PolarHBondContact OG1-OG 3.49Å
1098S88.2Confident86.1Confident34 Ų3467 Ų6724%0.23834%0.336CS..EExtended strand (participates in β ladder)trans-120.8138.9167.9-170.70000109.4K1044 L1045K1044-S1098 CarbonylContact C-O 3.52Å; K1044-S1098 WeakPolarHBondContact CA-O 3.17Å; L1045-S1098 PolarHBondContact N-O 3.36Å; L1045-S1098 PolarHBondContact O-N 2.98Å
1099V88.5Confident86Confident62 Ų6264.6 Ų64.638%0.37633%0.331SS..EExtended strand (participates in β ladder)trans-117.6128.7-176.8-176.70000108.9E1042 K1044 E1101E1042-V1099 HydrophobicContact CG-CG1 3.38Å; E1042-V1099 WeakPolarHBondContact OE1-CG1 3.41Å; K1044-V1099 HydrophobicContact CB-CG2 4.14Å; K1044-V1099 HydrophobicContact CD-CG2 4.28Å; K1044-V1099 HydrophobicContact CG-CG2 3.95Å; V1099-E1101 HydrophobicContact CG1-CG 4.11Å
1100C87.2Confident86Confident10 Ų1065.6 Ų65.67%0.06834%0.342CS..EExtended strand (participates in β ladder)trans-105.6123.5170.9-61.40000108.9E1042 V1043 L1058 F1087 I1089E1042-C1100 CarbonylContact C-O 3.54Å; E1042-C1100 WeakPolarHBondContact CA-O 3.31Å; V1043-C1100 HydrophobicContact CB-CB 4.47Å; V1043-C1100 PolarHBondContact N-O 2.86Å; V1043-C1100 PolarHBondContact O-N 3.19Å; L1058-C1100 HydrophobicContact CD2-CB 4.42Å; F1087-C1100 HydrophobicContact CB-CB 3.88Å; F1087-C1100 HydrophobicContact CD1-CB 4.15Å; F1087-C1100 HydrophobicContact CD2-CB 4.44Å; F1087-C1100 HydrophobicContact CG-CB 3.89Å; I1089-C1100 WeakPolarHBondContact CG1-SG 3.19Å
1101E86.7Confident86.1Confident150 Ų15062.8 Ų62.870%0.70133%0.327SS*.EExtended strand (participates in β ladder)trans-113.2132.1177-65.9178.8-176.800110L1041 E1042 F1087 V1099L1041-E1101 WeakPolarHBondContact O-CA 3.23Å; E1042-E1101 HydrophobicContact CG-CG 4.33Å; F1087-E1101 VanDerWaalsContact CE1-O 3.26Å; F1087-E1101 WeakPolarHBondContact CE1-O 3.48Å; V1099-E1101 HydrophobicContact CG1-CG 4.11Å
1102G86Confident86.2Confident19 Ų1959.1 Ų59.120%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-144.2-179.7171.300000111.1L1041L1041-G1102 PolarHBondContact N-O 3.01Å; L1041-G1102 PolarHBondContact O-N 3.22Å
1103A86.8Confident86.2Confident13 Ų1361.3 Ų61.311%0.10731%0.313CS..EExtended strand (participates in β ladder)trans-140.7143.3169.400000111.6A1038 V1039 V1082A1038-A1103 HydrophobicContact CB-CB 4.45Å; V1039-A1103 CarbonylContact O-C 3.59Å; V1039-A1103 WeakPolarHBondContact O-CA 3.47Å; V1039-A1103 WeakPolarHBondContact O-CB 3.32Å; V1082-A1103 HydrophobicContact CB-CB 4.08Å; V1082-A1103 HydrophobicContact CG2-CB 4.36Å; V1082-A1103 PolarHBondContact N-O 3.31Å
1104L88.3Confident86.3Confident3 Ų356 Ų562%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-110.2141.4174.2-64.597.7000109.6V1039 L1041 P1062 V1079 F1081 F1106 L1114V1039-L1104 WeakPolarHBondContact CB-O 3.11Å; V1039-L1104 PolarHBondContact N-O 2.97Å; V1039-L1104 PolarHBondContact O-N 2.82Å; L1041-L1104 HydrophobicContact CB-CD1 3.86Å; L1041-L1104 HydrophobicContact CD2-CD1 3.87Å; L1041-L1104 HydrophobicContact CG-CD1 4.45Å; P1062-L1104 HydrophobicContact CB-CD2 4.41Å; P1062-L1104 HydrophobicContact CG-CD2 4.39Å; V1079-L1104 HydrophobicContact CG1-CB 4.42Å; V1079-L1104 HydrophobicContact CG1-CD2 3.95Å; F1081-L1104 HydrophobicContact CD1-CD2 4.4Å; F1081-L1104 HydrophobicContact CD1-CG 4.01Å; F1081-L1104 HydrophobicContact CD2-CD2 4.46Å; F1081-L1104 HydrophobicContact CE1-CD1 4.02Å; F1081-L1104 HydrophobicContact CE1-CD2 3.79Å; F1081-L1104 HydrophobicContact CE1-CG 3.69Å; F1081-L1104 HydrophobicContact CE2-CD2 3.88Å; F1081-L1104 HydrophobicContact CE2-CG 4.49Å; F1081-L1104 HydrophobicContact CZ-CD1 4.48Å; F1081-L1104 HydrophobicContact CZ-CD2 3.49Å; F1081-L1104 VanDerWaalsContact CZ-CD2 3.49Å; F1081-L1104 HydrophobicContact CZ-CG 3.96Å; L1104-F1106 HydrophobicContact CB-CE2 3.8Å; L1104-F1106 HydrophobicContact CB-CZ 4.07Å; L1104-F1106 HydrophobicContact CD2-CZ 4.34Å; L1104-L1114 HydrophobicContact CD1-CD1 4.43Å; L1104-L1114 HydrophobicContact CD2-CD2 3.81Å
1105L86.4Confident86.3Confident46 Ų4655.8 Ų55.824%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-112.2116.2174-166.584.3000108G1036 V1079 T1080 V1082 L1107G1036-L1105 WeakPolarHBondContact O-CD1 3.42Å; V1079-L1105 WeakPolarHBondContact CA-O 3.43Å; T1080-L1105 PolarHBondContact N-O 3.34Å; T1080-L1105 PolarHBondContact O-N 3.37Å; V1082-L1105 HydrophobicContact CG2-CB 4.39Å; L1105-L1107 HydrophobicContact CD2-CD2 3.71Å; L1105-L1107 HydrophobicContact CG-CD2 4.32Å
1106F88.1Confident86.6Confident0 Ų046.8 Ų46.80%025%0.253CS..EExtended strand (participates in β ladder)trans-93.7122.4176.4-61.8-91000108.8V1035 G1036 V1039 V1079 L1104 F1112 V1139 A1141V1035-F1106 WeakPolarHBondContact CG1-O 3.36Å; G1036-F1106 PolarHBondContact N-O 3.34Å; V1039-F1106 HydrophobicContact CB-CD2 4.35Å; V1039-F1106 HydrophobicContact CB-CE2 4Å; V1039-F1106 HydrophobicContact CG1-CE2 4.32Å; V1039-F1106 HydrophobicContact CG2-CD2 3.71Å; V1039-F1106 HydrophobicContact CG2-CE2 3.8Å; V1079-F1106 HydrophobicContact CB-CD1 4.39Å; V1079-F1106 HydrophobicContact CG1-CD1 3.98Å; V1079-F1106 HydrophobicContact CG1-CE1 3.85Å; V1079-F1106 HydrophobicContact CG1-CZ 4.38Å; V1079-F1106 HydrophobicContact CG2-CD1 3.57Å; V1079-F1106 HydrophobicContact CG2-CE1 3.84Å; L1104-F1106 HydrophobicContact CB-CE2 3.8Å; L1104-F1106 HydrophobicContact CB-CZ 4.07Å; L1104-F1106 HydrophobicContact CD2-CZ 4.34Å; F1106-F1112 HydrophobicContact CD1-CB 4.21Å; F1106-F1112 HydrophobicContact CD1-CD1 4.06Å; F1106-F1112 AromaticContact CD1-CD2 3.48Å; F1106-F1112 HydrophobicContact CD1-CD2 3.48Å; F1106-F1112 VanDerWaalsContact CD1-CD2 3.48Å; F1106-F1112 HydrophobicContact CD1-CE1 4.27Å; F1106-F1112 AromaticContact CD1-CE2 3.74Å; F1106-F1112 HydrophobicContact CD1-CE2 3.74Å; F1106-F1112 AromaticContact CD1-CG 3.65Å; F1106-F1112 HydrophobicContact CD1-CG 3.65Å; F1106-F1112 HydrophobicContact CD1-CZ 4.12Å; F1106-F1112 HydrophobicContact CE1-CB 3.6Å; F1106-F1112 HydrophobicContact CE1-CD1 4.09Å; F1106-F1112 AromaticContact CE1-CD2 3.78Å; F1106-F1112 HydrophobicContact CE1-CD2 3.78Å; F1106-F1112 HydrophobicContact CE1-CE2 4.47Å; F1106-F1112 AromaticContact CE1-CG 3.56Å; F1106-F1112 HydrophobicContact CE1-CG 3.56Å; F1106-F1112 HydrophobicContact CG-CD2 4.46Å; F1106-V1139 HydrophobicContact CE1-CG1 4.5Å; F1106-V1139 HydrophobicContact CE2-CG1 3.84Å; F1106-V1139 HydrophobicContact CZ-CB 4.13Å; F1106-V1139 HydrophobicContact CZ-CG1 3.79Å; F1106-V1139 HydrophobicContact CZ-CG2 4.48Å; F1106-A1141 HydrophobicContact CB-CB 3.71Å; F1106-A1141 HydrophobicContact CD1-CB 4.44Å; F1106-A1141 HydrophobicContact CG-CB 4.05Å
1107L85.1Confident86.3Confident73 Ų7347.3 Ų47.338%0.38225%0.254SS..  trans-95.2-16.9-174.4-61.3175.2000113.1V1035 E1077 A1078 L1105V1035-L1107 WeakPolarHBondContact CG1-O 3.2Å; E1077-L1107 WeakPolarHBondContact O-CD1 3.4Å; A1078-L1107 WeakPolarHBondContact O-CB 3.42Å; A1078-L1107 PolarHBondContact O-N 2.95Å; L1105-L1107 HydrophobicContact CD2-CD2 3.71Å; L1105-L1107 HydrophobicContact CG-CD2 4.32Å
1108Y83.8Confident86.1Confident135 Ų13545.9 Ų45.953%0.52924%0.242SC..SBendtrans-128.3158.3175.1-65.3-73.3000111.7E1077 A1078E1077-Y1108 VanDerWaalsContact O-CE2 3.25Å; E1077-Y1108 WeakPolarHBondContact O-CE2 3.49Å; A1078-Y1108 HydrophobicContact CB-CD2 3.71Å; A1078-Y1108 HydrophobicContact CB-CE2 4.31Å
1109T83.4Confident85.8Confident74 Ų7450 Ų5045%0.45426%0.258SS..  trans-72.1142.6170.250.90000110.9V1035 A1141 D1143V1035-T1109 HydrophobicContact CG2-CG2 3.6Å; T1109-A1141 VanDerWaalsContact CA-O 3.29Å; T1109-A1141 WeakPolarHBondContact CA-O 3.41Å; T1109-D1143 HydrophobicContact CG2-CB 3.62Å; T1109-D1143 WeakPolarHBondContact CG2-OD2 3.14Å
1110G86.3Confident85.2Confident23 Ų2348.9 Ų48.924%0.23725%0.25CS..EExtended strand (participates in β ladder)trans159.1172.2178.500000114.2F1112 A1141G1110-F1112 WeakPolarHBondContact O-CD2 3.22Å; G1110-A1141 PolarHBondContact N-O 3.09Å; G1110-A1141 PolarHBondContact O-N 3.18Å
1111D85.4Confident84.2Confident59 Ų5952.4 Ų52.432%0.31627%0.268SS..EExtended strand (participates in β ladder)trans-89.9122.5168.5-72.2-63.1000109H1138 R1140D1111-H1138 IonicContact OD1-CD2 3.93Å; D1111-H1138 IonicContact OD1-CE1 2.75Å; D1111-H1138 PolarHBondContact OD1-CE1 3.35Å; D1111-H1138 IonicContact OD1-NE2 2.81Å; D1111-H1138 PolarHBondContact OD1-NE2 2.91Å; D1111-R1140 IonicContact OD1-CZ 3.82Å; D1111-R1140 IonicContact OD1-NE 3.98Å; D1111-R1140 PolarHBondContact OD1-NE 3.18Å; D1111-R1140 IonicContact OD1-NH2 3.95Å; D1111-R1140 PolarHBondContact OD1-NH2 3.16Å; D1111-R1140 IonicContact OD2-NE 3.47Å; D1111-R1140 IonicContact OD2-NH2 2.79Å
1112F87.1Confident83.1Confident0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-121.1147.3179.8-61-91.3000109.7Q1064 L1075 V1079 F1106 G1110 V1139 A1141Q1064-F1112 HydrophobicContact CG-CD1 3.49Å; Q1064-F1112 VanDerWaalsContact CG-CD1 3.49Å; Q1064-F1112 HydrophobicContact CG-CE1 3.71Å; Q1064-F1112 HydrophobicContact CG-CG 4.28Å; L1075-F1112 HydrophobicContact CD1-CD1 4.11Å; L1075-F1112 HydrophobicContact CD1-CE1 4.38Å; V1079-F1112 HydrophobicContact CG2-CD1 3.54Å; V1079-F1112 HydrophobicContact CG2-CE1 3.38Å; V1079-F1112 HydrophobicContact CG2-CG 4.38Å; V1079-F1112 HydrophobicContact CG2-CZ 4.13Å; F1106-F1112 HydrophobicContact CD1-CB 4.21Å; F1106-F1112 HydrophobicContact CD1-CD1 4.06Å; F1106-F1112 AromaticContact CD1-CD2 3.48Å; F1106-F1112 HydrophobicContact CD1-CD2 3.48Å; F1106-F1112 VanDerWaalsContact CD1-CD2 3.48Å; F1106-F1112 HydrophobicContact CD1-CE1 4.27Å; F1106-F1112 AromaticContact CD1-CE2 3.74Å; F1106-F1112 HydrophobicContact CD1-CE2 3.74Å; F1106-F1112 AromaticContact CD1-CG 3.65Å; F1106-F1112 HydrophobicContact CD1-CG 3.65Å; F1106-F1112 HydrophobicContact CD1-CZ 4.12Å; F1106-F1112 HydrophobicContact CE1-CB 3.6Å; F1106-F1112 HydrophobicContact CE1-CD1 4.09Å; F1106-F1112 AromaticContact CE1-CD2 3.78Å; F1106-F1112 HydrophobicContact CE1-CD2 3.78Å; F1106-F1112 HydrophobicContact CE1-CE2 4.47Å; F1106-F1112 AromaticContact CE1-CG 3.56Å; F1106-F1112 HydrophobicContact CE1-CG 3.56Å; F1106-F1112 HydrophobicContact CG-CD2 4.46Å; G1110-F1112 WeakPolarHBondContact O-CD2 3.22Å; F1112-V1139 PolarHBondContact N-O 3.06Å; F1112-V1139 PolarHBondContact O-N 3.29Å; F1112-A1141 HydrophobicContact CD2-CB 4.15Å; F1112-A1141 HydrophobicContact CE2-CB 3.87Å
1113Y87.4Confident81.4Confident52 Ų5251.6 Ų51.620%0.20428%0.283CS..EExtended strand (participates in β ladder)trans-123.9143.8178.8-61.9-85.7000109.4P1062 Y1063 D1065 V1137 H1138P1062-Y1113 CarbonylContact C-O 3.6Å; P1062-Y1113 VanDerWaalsContact CA-O 3.31Å; P1062-Y1113 WeakPolarHBondContact CA-O 3.45Å; Y1063-Y1113 VanDerWaalsContact CD1-O 3.27Å; Y1063-Y1113 WeakPolarHBondContact CD1-O 3.46Å; Y1063-Y1113 HydrophobicContact CE1-CG 4.47Å; Y1063-Y1113 HydrophobicContact CE2-CD2 4.15Å; Y1063-Y1113 HydrophobicContact CE2-CG 4.14Å; Y1063-Y1113 AromaticContact CZ-CG 3.95Å; Y1063-Y1113 PolarHBondContact N-O 3.45Å; Y1063-Y1113 PolarHBondContact O-N 3.48Å; Y1063-Y1113 WeakPolarHBondContact OH-CB 3.46Å; D1065-Y1113 HydrophobicContact CB-CD2 4.1Å; D1065-Y1113 HydrophobicContact CB-CE2 3.96Å; Y1113-V1137 VanDerWaalsContact CA-O 3.29Å; Y1113-V1137 WeakPolarHBondContact CA-O 3.45Å; Y1113-H1138 HydrophobicContact CD1-CB 3.88Å; Y1113-H1138 HydrophobicContact CE1-CB 3.69Å; Y1113-H1138 AromaticContact CE1-CD2 3.58Å; Y1113-H1138 AromaticContact CE1-CG 3.41Å; Y1113-H1138 VanDerWaalsContact CE1-CG 3.41Å; Y1113-H1138 AromaticContact CE1-ND1 3.86Å; Y1113-H1138 AromaticContact CZ-CD2 3.8Å; Y1113-H1138 AromaticContact CZ-NE2 3.94Å
1114L87.1Confident79.9Confident9 Ų961.6 Ų61.65%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-103.1114.2176.9-51.1-180000109.5L1041 V1060 P1062 L1104 M1116 V1137 V1139L1041-L1114 HydrophobicContact CD1-CD1 3.98Å; L1041-L1114 HydrophobicContact CD2-CD1 4.1Å; V1060-L1114 HydrophobicContact CG1-CB 4.07Å; V1060-L1114 HydrophobicContact CG1-CD1 4.26Å; V1060-L1114 HydrophobicContact CG1-CD2 4.33Å; V1060-L1114 HydrophobicContact CG1-CG 4.46Å; P1062-L1114 HydrophobicContact CB-CD2 3.97Å; L1104-L1114 HydrophobicContact CD1-CD1 4.43Å; L1104-L1114 HydrophobicContact CD2-CD2 3.81Å; L1114-M1116 HydrophobicContact CB-CE 3.97Å; L1114-M1116 HydrophobicContact CD1-CE 3.96Å; L1114-V1137 HydrophobicContact CB-CB 4.06Å; L1114-V1137 HydrophobicContact CD1-CB 4.24Å; L1114-V1137 HydrophobicContact CD1-CG1 3.91Å; L1114-V1137 HydrophobicContact CG-CB 4.24Å; L1114-V1137 HydrophobicContact CG-CG1 4.23Å; L1114-V1137 PolarHBondContact N-O 3.17Å; L1114-V1139 HydrophobicContact CD1-CG2 4.35Å; L1114-V1139 HydrophobicContact CG-CG2 4.38Å
1115N84.7Confident78.3Confident47 Ų4772.2 Ų72.225%0.25136%0.357SS..EExtended strand (participates in β ladder)trans-87.9117.5167.3-172.7-1.7000108.8M1061 Y1063 Y1073M1061-N1115 HydrophobicContact CB-CB 4.43Å; M1061-N1115 PolarHBondContact N-O 2.73Å; M1061-N1115 PolarHBondContact O-N 2.92Å; Y1063-N1115 HydrophobicContact CD1-CB 3.81Å; Y1063-N1115 HydrophobicContact CE1-CB 3.83Å; Y1073-N1115 HydrophobicContact CE1-CB 4.05Å; Y1073-N1115 PolarHBondContact OH-ND2 2.93Å
1116M86.4Confident77.1Confident18 Ų1879.3 Ų79.39%0.08939%0.389CS..EExtended strand (participates in β ladder)trans-106.9117.4-178.7-62.5-175.2-174.700109.4V1018 L1041 V1043 L1058 T1059 V1060 L1114 L1134 V1137V1018-M1116 HydrophobicContact CG1-CE 3.94Å; V1018-M1116 HydrophobicContact CG2-CE 4.41Å; V1018-M1116 HydrophobicContact CG2-SD 4.14Å; L1041-M1116 HydrophobicContact CD1-CE 3.93Å; L1041-M1116 HydrophobicContact CD2-CE 4.11Å; V1043-M1116 HydrophobicContact CG2-CE 4.14Å; V1043-M1116 HydrophobicContact CG2-SD 4Å; L1058-M1116 HydrophobicContact CD1-CB 4.1Å; T1059-M1116 WeakPolarHBondContact O-CA 3.43Å; V1060-M1116 HydrophobicContact CG1-CE 4.28Å; V1060-M1116 HydrophobicContact CG1-CG 4.23Å; V1060-M1116 HydrophobicContact CG2-CG 4.17Å; L1114-M1116 HydrophobicContact CB-CE 3.97Å; L1114-M1116 HydrophobicContact CD1-CE 3.96Å; M1116-L1134 HydrophobicContact CB-CB 4.37Å; M1116-L1134 HydrophobicContact CB-CD1 3.81Å; M1116-L1134 HydrophobicContact CB-CD2 4.27Å; M1116-L1134 HydrophobicContact CB-CG 4.38Å; M1116-L1134 HydrophobicContact SD-CD2 3.92Å; M1116-V1137 HydrophobicContact CE-CG2 3.73Å
1117K82.6Confident76.2Confident107 Ų10781.2 Ų81.247%0.46540%0.4SS..EExtended strand (participates in β ladder)trans-108.1126178.3-67.7-177.9-178.4173.10109.5T1059 M1061T1059-K1117 PolarHBondContact N-O 3.46Å; T1059-K1117 PolarHBondContact O-N 2.97Å; M1061-K1117 HydrophobicContact SD-CD 4.05Å
1118V83.4Confident75.4Confident29 Ų2980.8 Ų80.818%0.17640%0.401CS..EExtended strand (participates in β ladder)trans-104.6129.5173.3-176.20000108.5W1016 L1056 S1057 L1058 F1132 L1134W1016-V1118 HydrophobicContact CH2-CG1 4.28Å; W1016-V1118 HydrophobicContact CH2-CG2 3.73Å; W1016-V1118 HydrophobicContact CZ2-CG1 4.36Å; W1016-V1118 HydrophobicContact CZ2-CG2 3.87Å; W1016-V1118 HydrophobicContact CZ3-CG2 4.41Å; L1056-V1118 HydrophobicContact CB-CG1 4.08Å; L1056-V1118 HydrophobicContact CD1-CG1 4.17Å; L1056-V1118 HydrophobicContact CD2-CG1 4.39Å; L1056-V1118 HydrophobicContact CG-CG1 4.45Å; S1057-V1118 CarbonylContact O-C 3.55Å; S1057-V1118 WeakPolarHBondContact O-CA 3.36Å; L1058-V1118 HydrophobicContact CD1-CG2 3.65Å; V1118-F1132 HydrophobicContact CB-CB 4.32Å; V1118-F1132 HydrophobicContact CB-CD1 3.83Å; V1118-F1132 HydrophobicContact CB-CG 4.31Å; V1118-F1132 HydrophobicContact CG1-CD1 3.56Å; V1118-F1132 HydrophobicContact CG1-CE1 3.8Å; V1118-F1132 HydrophobicContact CG1-CG 4.45Å; V1118-F1132 HydrophobicContact CG2-CD1 4.43Å; V1118-L1134 HydrophobicContact CG2-CD1 3.64Å
1119Q80.5Confident74.6Confident121 Ų12181.8 Ų81.857%0.56542%0.415SS*.EExtended strand (participates in β ladder)trans-113131.1171.1179.7172-9.300109L1056 S1057L1056-Q1119 WeakPolarHBondContact CA-O 3.45Å; S1057-Q1119 PolarHBondContact N-O 3.22Å; S1057-Q1119 PolarHBondContact O-N 2.99Å; S1057-Q1119 PolarHBondContact OG-O 3.19Å
1120D76.6Confident73.8Confident39 Ų3981.3 Ų81.321%0.20942%0.418CS..EExtended strand (participates in β ladder)trans-91.7112.7174.2-173.9-6.6000108.6L1056 S1122 L1127 F1132L1056-D1120 HydrophobicContact CD2-CB 3.85Å; D1120-S1122 VanDerWaalsContact C-N 3.26Å; D1120-S1122 VanDerWaalsContact CG-OG 3.29Å; D1120-S1122 WeakPolarHBondContact OD1-CB 3.35Å; D1120-S1122 PolarHBondContact OD1-N 3.21Å; D1120-S1122 PolarHBondContact OD1-OG 3.12Å; D1120-S1122 PolarHBondContact OD2-OG 3.35Å; D1120-L1127 WeakPolarHBondContact OD2-CD1 3.32Å; D1120-F1132 HydrophobicContact CB-CZ 4.35Å
1121D66.5Low73.3Confident84 Ų8482.9 Ų82.945%0.44942%0.417SS..  trans-87.95.9-179.8-75.2-36.8000112.2P1055 S1057 A1123P1055-D1121 PolarHBondContact O-N 3.34Å; S1057-D1121 PolarHBondContact OG-OD2 3.16Å; D1121-A1123 PolarHBondContact O-N 3.15Å
1122S62.4Low72.8Confident43 Ų4381.5 Ų81.530%0.30141%0.408SS..  trans-79.2120177.576.70000112D1120 R1124D1120-S1122 VanDerWaalsContact C-N 3.26Å; D1120-S1122 VanDerWaalsContact CG-OG 3.29Å; D1120-S1122 WeakPolarHBondContact OD1-CB 3.35Å; D1120-S1122 PolarHBondContact OD1-N 3.21Å; D1120-S1122 PolarHBondContact OD1-OG 3.12Å; D1120-S1122 PolarHBondContact OD2-OG 3.35Å; S1122-R1124 PolarHBondContact O-N 3.05Å
1123A52.3Low72.1Confident109 Ų10985.3 Ų85.390%0.90143%0.432SS*.SBendtrans-70.716.9179.800000114.7D1121D1121-A1123 PolarHBondContact O-N 3.15Å
1124R53.4Low71.4Confident222 Ų22284.3 Ų84.384%0.83843%0.43SS*.SBendtrans-137.6101.5-173-71.7-171.3176.6-169.70.3111.3S1122S1122-R1124 PolarHBondContact O-N 3.05Å
1125R56Low70.7Confident226 Ų22684.4 Ų84.485%0.85343%0.431SS*.  trans69.5115.1177.6-72.5179.5167.8179-4.6114L1127R1125-L1127 PolarHBondContact O-N 3.38Å; R1125-L1127 VanDerWaalsContact O-N 3.14Å
1126E59.8Low70.1Confident195 Ų19584.6 Ų84.691%0.91144%0.444SS*.  trans-58.9114.3166.5-70.2176.9169.600109.2
1127L69.3Low69.9Low41 Ų4183.9 Ų83.922%0.21544%0.44CS..  trans-67.3144.6169.4-68.4177.6000109.5V1053 D1120 R1125 L1129 W1131 F1132V1053-L1127 HydrophobicContact CG1-CD1 3.81Å; D1120-L1127 WeakPolarHBondContact OD2-CD1 3.32Å; R1125-L1127 PolarHBondContact O-N 3.38Å; R1125-L1127 VanDerWaalsContact O-N 3.14Å; L1127-L1129 PolarHBondContact O-N 3.37Å; L1127-W1131 HydrophobicContact CB-CE3 4.39Å; L1127-W1131 HydrophobicContact CD1-CE3 4.47Å; L1127-W1131 HydrophobicContact CD2-CE3 3.9Å; L1127-W1131 HydrophobicContact CD2-CH2 4.31Å; L1127-W1131 HydrophobicContact CD2-CZ3 3.56Å; L1127-W1131 HydrophobicContact CG-CE3 4.5Å; L1127-F1132 HydrophobicContact CB-CE2 3.65Å; L1127-F1132 HydrophobicContact CB-CZ 3.73Å; L1127-F1132 HydrophobicContact CD1-CZ 3.81Å; L1127-F1132 HydrophobicContact CG-CZ 4.39Å
1128P69.9Low70.1Confident63 Ų6380.2 Ų80.241%0.40943%0.425SS..  trans-58.4134.9180-22.932.8000111.8A1130 W1131P1128-A1130 PolarHBondContact O-N 2.92Å; P1128-W1131 HydrophobicContact CB-CG 4.31Å; P1128-W1131 HydrophobicContact CG-CD2 4.3Å; P1128-W1131 HydrophobicContact CG-CG 4.43Å; P1128-W1131 HydrophobicContact CG-CZ2 4.23Å; P1128-W1131 WeakPolarHBondContact O-CB 3.43Å; P1128-W1131 PolarHBondContact O-N 3.35Å
1129L66.6Low70.2Confident157 Ų15778.9 Ų78.982%0.82242%0.417SS*.G310 helixtrans-54-31.4178-73.3167000113L1127 W1131 F1132L1127-L1129 PolarHBondContact O-N 3.37Å; L1129-W1131 PolarHBondContact O-N 3.44Å; L1129-W1131 VanDerWaalsContact O-N 3.16Å; L1129-F1132 PolarHBondContact O-N 3.46Å; L1129-F1132 VanDerWaalsContact O-N 3.07Å
1130A66.5Low70.5Confident64 Ų6477.4 Ų77.453%0.52941%0.406SS..G310 helixtrans-62.2-16.7176.100000114.2P1128 F1132 T1133P1128-A1130 PolarHBondContact O-N 2.92Å; A1130-F1132 VanDerWaalsContact C-N 3.32Å; A1130-T1133 PolarHBondContact O-OG1 3.22Å
1131W75.8Confident70.9Confident55 Ų5575.6 Ų75.621%0.20840%0.397CS..G310 helixtrans-81.6-15.2176.6-65.116.3000112.3P1013 L1014 W1016 N1049 L1127 P1128 L1129P1013-W1131 HydrophobicContact CB-CD2 4.35Å; P1013-W1131 HydrophobicContact CB-CE3 4.41Å; P1013-W1131 HydrophobicContact CB-CH2 4.43Å; P1013-W1131 HydrophobicContact CB-CZ2 4.36Å; P1013-W1131 HydrophobicContact CB-CZ3 4.44Å; P1013-W1131 HydrophobicContact CG-CD2 4.14Å; P1013-W1131 HydrophobicContact CG-CH2 4.29Å; P1013-W1131 HydrophobicContact CG-CZ2 3.77Å; L1014-W1131 WeakPolarHBondContact CB-O 3.42Å; L1014-W1131 HydrophobicContact CD1-CB 4.12Å; L1014-W1131 HydrophobicContact CD1-CE3 4.41Å; L1014-W1131 HydrophobicContact CG-CB 4.4Å; L1014-W1131 HydrophobicContact CG-CE3 4.38Å; W1016-W1131 PolarHBondContact NE1-O 3.02Å; N1049-W1131 WeakPolarHBondContact ND2-CH2 3.34Å; N1049-W1131 VanDerWaalsContact ND2-CZ3 3.25Å; N1049-W1131 WeakPolarHBondContact ND2-CZ3 3.48Å; L1127-W1131 HydrophobicContact CB-CE3 4.39Å; L1127-W1131 HydrophobicContact CD1-CE3 4.47Å; L1127-W1131 HydrophobicContact CD2-CE3 3.9Å; L1127-W1131 HydrophobicContact CD2-CH2 4.31Å; L1127-W1131 HydrophobicContact CD2-CZ3 3.56Å; L1127-W1131 HydrophobicContact CG-CE3 4.5Å; P1128-W1131 HydrophobicContact CB-CG 4.31Å; P1128-W1131 HydrophobicContact CG-CD2 4.3Å; P1128-W1131 HydrophobicContact CG-CG 4.43Å; P1128-W1131 HydrophobicContact CG-CZ2 4.23Å; P1128-W1131 WeakPolarHBondContact O-CB 3.43Å; P1128-W1131 PolarHBondContact O-N 3.35Å; L1129-W1131 PolarHBondContact O-N 3.44Å; L1129-W1131 VanDerWaalsContact O-N 3.16Å
1132F75Confident71.8Confident31 Ų3176.2 Ų76.214%0.13640%0.397CS..G310 helixtrans-106.117.8-178.9-55.3-73.6000112.3L1014 W1016 L1056 V1118 D1120 L1127 L1129 A1130 L1134L1014-F1132 HydrophobicContact CD1-CD1 4.36Å; L1014-F1132 HydrophobicContact CD1-CE1 4.03Å; W1016-F1132 HydrophobicContact CZ2-CD1 4.16Å; L1056-F1132 HydrophobicContact CD1-CE1 4.2Å; L1056-F1132 HydrophobicContact CD2-CE1 4.03Å; L1056-F1132 HydrophobicContact CD2-CZ 4.42Å; V1118-F1132 HydrophobicContact CB-CB 4.32Å; V1118-F1132 HydrophobicContact CB-CD1 3.83Å; V1118-F1132 HydrophobicContact CB-CG 4.31Å; V1118-F1132 HydrophobicContact CG1-CD1 3.56Å; V1118-F1132 HydrophobicContact CG1-CE1 3.8Å; V1118-F1132 HydrophobicContact CG1-CG 4.45Å; V1118-F1132 HydrophobicContact CG2-CD1 4.43Å; D1120-F1132 HydrophobicContact CB-CZ 4.35Å; L1127-F1132 HydrophobicContact CB-CE2 3.65Å; L1127-F1132 HydrophobicContact CB-CZ 3.73Å; L1127-F1132 HydrophobicContact CD1-CZ 3.81Å; L1127-F1132 HydrophobicContact CG-CZ 4.39Å; L1129-F1132 PolarHBondContact O-N 3.46Å; L1129-F1132 VanDerWaalsContact O-N 3.07Å; A1130-F1132 VanDerWaalsContact C-N 3.32Å; F1132-L1134 PolarHBondContact O-N 3.32Å; F1132-L1134 VanDerWaalsContact O-N 3.1Å
1133T71.4Confident72.5Confident80 Ų8079.3 Ų79.349%0.49141%0.41SS..  trans-71.6104.2175.554.30000109.7A1130A1130-T1133 PolarHBondContact O-OG1 3.22Å
1134L74.3Confident72.8Confident31 Ų3178.1 Ų78.116%0.16239%0.392CS..PPolyproline II helixtrans-88.2152.4174.1-74.7125000111W1016 V1018 V1043 L1058 M1116 V1118 F1132W1016-L1134 HydrophobicContact CB-CD2 3.82Å; W1016-L1134 HydrophobicContact CB-CG 4.19Å; W1016-L1134 HydrophobicContact CD2-CD2 3.69Å; W1016-L1134 HydrophobicContact CD2-CG 4Å; W1016-L1134 HydrophobicContact CE3-CD2 3.61Å; W1016-L1134 HydrophobicContact CE3-CG 4.37Å; W1016-L1134 HydrophobicContact CG-CD2 3.81Å; W1016-L1134 HydrophobicContact CG-CG 3.92Å; W1016-L1134 HydrophobicContact CZ3-CD2 4.36Å; V1018-L1134 HydrophobicContact CG2-CD2 4.42Å; V1043-L1134 HydrophobicContact CG1-CD2 4.11Å; L1058-L1134 HydrophobicContact CD1-CD1 4.34Å; M1116-L1134 HydrophobicContact CB-CB 4.37Å; M1116-L1134 HydrophobicContact CB-CD1 3.81Å; M1116-L1134 HydrophobicContact CB-CD2 4.27Å; M1116-L1134 HydrophobicContact CB-CG 4.38Å; M1116-L1134 HydrophobicContact SD-CD2 3.92Å; V1118-L1134 HydrophobicContact CG2-CD1 3.64Å; F1132-L1134 PolarHBondContact O-N 3.32Å; F1132-L1134 VanDerWaalsContact O-N 3.1Å
1135P72.3Confident72.8Confident11 Ų1172.8 Ų72.87%0.07139%0.386CS..PPolyproline II helixtrans-63.5144.8172.528.2-33.9000110.5V1018 V1137V1018-P1135 HydrophobicContact CB-CG 4.11Å; V1018-P1135 HydrophobicContact CG2-CG 3.63Å; P1135-V1137 PolarHBondContact O-N 3.15Å
1136G72.3Confident72.3Confident51 Ų5170.4 Ų70.453%0.52639%0.389SS..PPolyproline II helixtrans-70.7124.417200000109.9
1137V81.6Confident71.7Confident2 Ų270.3 Ų70.31%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-105.3121.8-179.1-173.80000109.8V1018 V1020 C1025 Y1113 L1114 M1116 P1135 V1139V1018-V1137 HydrophobicContact CB-CG2 4.3Å; V1018-V1137 HydrophobicContact CG1-CG2 3.77Å; V1020-V1137 HydrophobicContact CG2-CG1 3.63Å; C1025-V1137 HydrophobicContact CB-CG1 4.23Å; C1025-V1137 HydrophobicContact CB-CG2 4.43Å; Y1113-V1137 VanDerWaalsContact CA-O 3.29Å; Y1113-V1137 WeakPolarHBondContact CA-O 3.45Å; L1114-V1137 HydrophobicContact CB-CB 4.06Å; L1114-V1137 HydrophobicContact CD1-CB 4.24Å; L1114-V1137 HydrophobicContact CD1-CG1 3.91Å; L1114-V1137 HydrophobicContact CG-CB 4.24Å; L1114-V1137 HydrophobicContact CG-CG1 4.23Å; L1114-V1137 PolarHBondContact N-O 3.17Å; M1116-V1137 HydrophobicContact CE-CG2 3.73Å; P1135-V1137 PolarHBondContact O-N 3.15Å; V1137-V1139 HydrophobicContact CG1-CG2 3.99Å
1138H86.4Confident70.6Confident31 Ų3173.5 Ų73.514%0.14442%0.421CS..EExtended strand (participates in β ladder)trans-110.6117.8175.2-178.6-169.5000109.4A1031 D1111 Y1113A1031-H1138 PolarHBondContact N-O 3.02Å; D1111-H1138 IonicContact OD1-CD2 3.93Å; D1111-H1138 IonicContact OD1-CE1 2.75Å; D1111-H1138 PolarHBondContact OD1-CE1 3.35Å; D1111-H1138 IonicContact OD1-NE2 2.81Å; D1111-H1138 PolarHBondContact OD1-NE2 2.91Å; Y1113-H1138 HydrophobicContact CD1-CB 3.88Å; Y1113-H1138 HydrophobicContact CE1-CB 3.69Å; Y1113-H1138 AromaticContact CE1-CD2 3.58Å; Y1113-H1138 AromaticContact CE1-CG 3.41Å; Y1113-H1138 VanDerWaalsContact CE1-CG 3.41Å; Y1113-H1138 AromaticContact CE1-ND1 3.86Å; Y1113-H1138 AromaticContact CZ-CD2 3.8Å; Y1113-H1138 AromaticContact CZ-NE2 3.94Å
1139V85.1Confident69.4Low1 Ų174.1 Ų74.11%0.00644%0.439CS..EExtended strand (participates in β ladder)trans-112.7129.4178-173.10000109.3V1020 A1031 C1033 F1106 F1112 L1114 V1137V1020-V1139 HydrophobicContact CG1-CG2 4.26Å; V1020-V1139 HydrophobicContact CG2-CG2 4.43Å; A1031-V1139 CarbonylContact O-C 3.47Å; A1031-V1139 VanDerWaalsContact O-CA 3.31Å; A1031-V1139 WeakPolarHBondContact O-CA 3.44Å; A1031-V1139 WeakPolarHBondContact O-CG1 3.49Å; C1033-V1139 VanDerWaalsContact SG-CG1 3.58Å; F1106-V1139 HydrophobicContact CE1-CG1 4.5Å; F1106-V1139 HydrophobicContact CE2-CG1 3.84Å; F1106-V1139 HydrophobicContact CZ-CB 4.13Å; F1106-V1139 HydrophobicContact CZ-CG1 3.79Å; F1106-V1139 HydrophobicContact CZ-CG2 4.48Å; F1112-V1139 PolarHBondContact N-O 3.06Å; F1112-V1139 PolarHBondContact O-N 3.29Å; L1114-V1139 HydrophobicContact CD1-CG2 4.35Å; L1114-V1139 HydrophobicContact CG-CG2 4.38Å; V1137-V1139 HydrophobicContact CG1-CG2 3.99Å
1140R86.8Confident67.9Low89 Ų8975.3 Ų75.334%0.33647%0.471SS..EExtended strand (participates in β ladder)trans-111.2111.9176.6179.9174.9-70.1157.4-0.8110.2V1030 A1031 D1032 C1033 D1111 Q1142V1030-R1140 HydrophobicContact CG1-CB 3.69Å; A1031-R1140 PolarHBondContact O-N 3.1Å; D1032-R1140 WeakPolarHBondContact CA-O 3.38Å; C1033-R1140 PolarHBondContact N-O 2.97Å; D1111-R1140 IonicContact OD1-CZ 3.82Å; D1111-R1140 IonicContact OD1-NE 3.98Å; D1111-R1140 PolarHBondContact OD1-NE 3.18Å; D1111-R1140 IonicContact OD1-NH2 3.95Å; D1111-R1140 PolarHBondContact OD1-NH2 3.16Å; D1111-R1140 IonicContact OD2-NE 3.47Å; D1111-R1140 IonicContact OD2-NH2 2.79Å; R1140-Q1142 VanDerWaalsContact CD-NE2 3.34Å; R1140-Q1142 HydrophobicContact CG-CG 4Å
1141A85.5Confident68Low2 Ų275.9 Ų75.92%0.01747%0.468CS..EExtended strand (participates in β ladder)trans-92.7122.5177.400000110.8C1033 V1035 F1106 T1109 G1110 F1112C1033-A1141 WeakPolarHBondContact O-CA 3.43Å; V1035-A1141 HydrophobicContact CG2-CB 4.09Å; F1106-A1141 HydrophobicContact CB-CB 3.71Å; F1106-A1141 HydrophobicContact CD1-CB 4.44Å; F1106-A1141 HydrophobicContact CG-CB 4.05Å; T1109-A1141 VanDerWaalsContact CA-O 3.29Å; T1109-A1141 WeakPolarHBondContact CA-O 3.41Å; G1110-A1141 PolarHBondContact N-O 3.09Å; G1110-A1141 PolarHBondContact O-N 3.18Å; F1112-A1141 HydrophobicContact CD2-CB 4.15Å; F1112-A1141 HydrophobicContact CE2-CB 3.87Å
1142Q84.6Confident67.6Low97 Ų9776.9 Ų76.945%0.45348%0.482SS..EExtended strand (participates in β ladder)trans-120.7144.6-177.3-55.2-177.414.500110.9D1032 C1033 R1034 V1035 R1140D1032-Q1142 PolarHBondContact OD1-NE2 3.18Å; D1032-Q1142 VanDerWaalsContact OD1-NE2 3.08Å; C1033-Q1142 PolarHBondContact O-N 3.16Å; R1034-Q1142 WeakPolarHBondContact CA-O 3.32Å; V1035-Q1142 PolarHBondContact N-O 3Å; R1140-Q1142 VanDerWaalsContact CD-NE2 3.34Å; R1140-Q1142 HydrophobicContact CG-CG 4Å
1143D77.3Confident67.2Low107 Ų10779.5 Ų79.557%0.57250%0.501SS*.PPolyproline II helixtrans-74.9152.6176.6-106.7-33.6000110.8T1109 P1145T1109-D1143 HydrophobicContact CG2-CB 3.62Å; T1109-D1143 WeakPolarHBondContact CG2-OD2 3.14Å; D1143-P1145 WeakPolarHBondContact O-CD 3.48Å
1144T59Low67Low85 Ų8579.5 Ų79.552%0.52150%0.502SS..PPolyproline II helixtrans-65124.6173.3-38.50000108.6L1146T1144-L1146 PolarHBondContact O-N 3.11Å
1145P53.7Low66.5Low110 Ų11082.5 Ų82.571%0.71452%0.523SS*.PPolyproline II helixtrans-62.6124.1173.722.8-29.4000109.1D1143 Q1147D1143-P1145 WeakPolarHBondContact O-CD 3.48Å; P1145-Q1147 PolarHBondContact O-N 2.9Å
1146L46.3Very low66.1Low176 Ų17687.3 Ų87.392%0.92155%0.553SS**  trans-49.5112.4168.4-83.9155.4000108.5T1144 A1148T1144-L1146 PolarHBondContact O-N 3.11Å; L1146-A1148 PolarHBondContact O-N 3.01Å
1147Q45.5Very low65.7Low193 Ų19389.9 Ų89.990%0.90256%0.555SS**  trans-62.2123.3168.2-88.1-177.3-1800108.6P1145 G1149P1145-Q1147 PolarHBondContact O-N 2.9Å; Q1147-G1149 PolarHBondContact O-N 3.46Å
1148A45.9Very low64.4Low108 Ų10896.6 Ų96.689%0.89360%0.597SS**  trans-54.6133.1173.600000111.6L1146L1146-A1148 PolarHBondContact O-N 3.01Å
1149G45.9Very low62.6Low76 Ų76102.1 Ų102.178%0.78464%0.635SS**  trans-151.498171.800000111.4Q1147Q1147-G1149 PolarHBondContact O-N 3.46Å
1150A35.7Very low60.6Low181 Ų181111.3 Ų111.3100%1.49669%0.692SS**  trans79.60178.600000117.5

Retrieved 1,150 of 1,150 residues in 1200.7 ms (Link to these results)

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