G4VHI0_SCHMA Loading...

MutL_C domain-containing protein

AlphaFold DB , UniProt , Accession G4VHI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 263 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
1M50.7Low69.2Low183 Ų18399.3 Ų99.390%0.90153%0.534SS*.  0137.90-80.9-176-176.700108.4S3 R240M1-S3 PolarHBondContact O-N 2.82Å; M1-R240 HydrophobicContact CE-CG 3.85Å; M1-R240 HydrophobicContact CG-CG 3.95Å; M1-R240 HydrophobicContact SD-CG 3.97Å
2L55.3Low69.4Low88 Ų8893.5 Ų93.546%0.46150%0.503SS..  trans-73.662.3171.8-68.8167.8000109.5R4 I241L2-R4 PolarHBondContact O-N 3.47Å; L2-R4 VanDerWaalsContact O-N 3.07Å; L2-I241 HydrophobicContact CB-CG2 4.39Å; L2-I241 HydrophobicContact CD1-CG2 4.14Å
3S64.6Low70.1Confident61 Ų6187.4 Ų87.443%0.42747%0.471SS..  trans-71.84.4179.458.40000113.1M1 T17 V18M1-S3 PolarHBondContact O-N 2.82Å; S3-T17 WeakPolarHBondContact O-CA 3.32Å; S3-V18 WeakPolarHBondContact O-CG2 3.33Å; S3-V18 PolarHBondContact O-N 2.76Å
4R72.8Confident70.9Confident158 Ų15882.1 Ų82.160%0.59644%0.441SS*.EExtended strand (participates in β ladder)trans-151.7150.5-179.262.1-173.1-175.9178.73.1111.7L2 C15 L16 T17L2-R4 PolarHBondContact O-N 3.47Å; L2-R4 VanDerWaalsContact O-N 3.07Å; R4-C15 VanDerWaalsContact CB-SG 3.51Å; R4-C15 VanDerWaalsContact CD-SG 3.54Å; R4-L16 CarbonylContact C-O 3.53Å; R4-L16 WeakPolarHBondContact CA-O 3.45Å; R4-L16 WeakPolarHBondContact CB-O 3.18Å; R4-T17 HydrophobicContact CB-CG2 4.39Å
5T77.5Confident71.9Confident41 Ų4177.7 Ų77.725%0.25242%0.419SS..EExtended strand (participates in β ladder)trans-115.3144.8160.2-175.60000108.9C15 L16 F243T5-C15 WeakPolarHBondContact O-CA 3.33Å; T5-L16 HydrophobicContact CG2-CB 3.81Å; T5-L16 HydrophobicContact CG2-CD2 4.16Å; T5-L16 HydrophobicContact CG2-CG 4.44Å; T5-L16 PolarHBondContact N-O 3.33Å; T5-L16 PolarHBondContact O-N 2.93Å; T5-F243 HydrophobicContact CG2-CB 4.04Å; T5-F243 HydrophobicContact CG2-CD1 3.75Å; T5-F243 HydrophobicContact CG2-CD2 4.39Å; T5-F243 HydrophobicContact CG2-CE1 4.33Å; T5-F243 HydrophobicContact CG2-CG 3.79Å
6T79Confident72.8Confident57 Ų5772.9 Ų72.935%0.3539%0.393SS..EExtended strand (participates in β ladder)trans-116.9131.8-178.249.70000109.9V13 Y14 C15T6-V13 HydrophobicContact CG2-CG1 4.08Å; T6-Y14 CarbonylContact C-O 3.5Å; T6-Y14 VanDerWaalsContact CA-O 3.27Å; T6-Y14 WeakPolarHBondContact CA-O 3.08Å; T6-C15 HydrophobicContact CG2-CB 4.3Å
7S76.2Confident73.8Confident45 Ų4569.8 Ų69.832%0.31538%0.377SS..EExtended strand (participates in β ladder)trans-116.7145.2172.3-55.70000108.8Y14S7-Y14 PolarHBondContact N-O 2.84Å; S7-Y14 PolarHBondContact O-N 2.89Å
8Y75Confident74.7Confident165 Ų16567 Ų6765%0.64736%0.363SS*.EExtended strand (participates in β ladder)trans-110.7129.1-179.8-62.4-95.1000108.5D12 V13Y8-D12 WeakPolarHBondContact CA-O 3.35Å; Y8-V13 HydrophobicContact CD1-CB 4.49Å; Y8-V13 HydrophobicContact CD1-CG1 4.46Å; Y8-V13 HydrophobicContact CD1-CG2 3.72Å; Y8-V13 HydrophobicContact CE1-CB 4.36Å; Y8-V13 HydrophobicContact CE1-CG1 4.08Å; Y8-V13 HydrophobicContact CE1-CG2 3.51Å
9L67.4Low75.5Confident116 Ų11667.8 Ų67.861%0.60737%0.367SS*.EExtended strand (participates in β ladder)trans-136.6109.2173.2-169.676.1000108N11 D12 Y14L9-N11 PolarHBondContact O-N 2.96Å; L9-D12 PolarHBondContact N-O 3.35Å; L9-D12 WeakPolarHBondContact O-CB 3.49Å; L9-D12 PolarHBondContact O-N 3Å; L9-D12 VanDerWaalsContact O-N 3.14Å; L9-Y14 HydrophobicContact CB-CD2 4.13Å; L9-Y14 HydrophobicContact CB-CE2 3.79Å; L9-Y14 HydrophobicContact CD2-CE2 4.48Å
10G72.7Confident76.3Confident74 Ų7464.8 Ų64.876%0.76335%0.351SS*.THydrogen-bonded Turntrans60.7-130.8-168.800000111.4D12G10-D12 VanDerWaalsContact C-N 3.25Å; G10-D12 PolarHBondContact O-N 3.13Å
11N69.7Low77.1Confident104 Ų10461.8 Ų61.856%0.55633%0.334SS*.THydrogen-bonded Turntrans-86.37.2177.5-66.9-22.5000113.3L9 Y46L9-N11 PolarHBondContact O-N 2.96Å; N11-Y46 WeakPolarHBondContact O-CB 3.17Å; N11-Y46 PolarHBondContact O-N 3.3Å
12D72.3Confident79.1Confident30 Ų3060.6 Ų60.616%0.1632%0.32CS..EExtended strand (participates in β ladder)trans-106136.7-172.6-63.2-14.7000112Y8 L9 G10 Y14 H45Y8-D12 WeakPolarHBondContact CA-O 3.35Å; L9-D12 PolarHBondContact N-O 3.35Å; L9-D12 WeakPolarHBondContact O-CB 3.49Å; L9-D12 PolarHBondContact O-N 3Å; L9-D12 VanDerWaalsContact O-N 3.14Å; G10-D12 VanDerWaalsContact C-N 3.25Å; G10-D12 PolarHBondContact O-N 3.13Å; D12-Y14 HydrophobicContact CB-CD2 4.15Å; D12-Y14 HydrophobicContact CB-CE2 3.34Å; D12-Y14 PolarHBondContact OD2-OH 3.08Å; D12-Y14 VanDerWaalsContact OD2-OH 3.12Å; D12-H45 IonicContact OD1-CE1 2.93Å; D12-H45 PolarHBondContact OD1-CE1 2.93Å; D12-H45 IonicContact OD1-CG 3.5Å; D12-H45 IonicContact OD1-ND1 2.56Å; D12-H45 PolarHBondContact OD1-ND1 3.48Å; D12-H45 IonicContact OD1-NE2 3.96Å; D12-H45 IonicContact OD2-CE1 3.69Å
13V77.9Confident80.9Confident14 Ų1463.1 Ų63.19%0.08533%0.33CS..EExtended strand (participates in β ladder)trans-103.9116.5172.2-1710000108.7T6 Y8 S43 S44 Y46T6-V13 HydrophobicContact CG2-CG1 4.08Å; Y8-V13 HydrophobicContact CD1-CB 4.49Å; Y8-V13 HydrophobicContact CD1-CG1 4.46Å; Y8-V13 HydrophobicContact CD1-CG2 3.72Å; Y8-V13 HydrophobicContact CE1-CB 4.36Å; Y8-V13 HydrophobicContact CE1-CG1 4.08Å; Y8-V13 HydrophobicContact CE1-CG2 3.51Å; V13-S43 CarbonylContact O-C 3.47Å; V13-S43 VanDerWaalsContact O-CA 3.3Å; V13-S43 WeakPolarHBondContact O-CA 3.05Å; V13-S44 PolarHBondContact N-O 3.31Å; V13-S44 PolarHBondContact O-N 2.96Å; V13-Y46 HydrophobicContact CG2-CD2 4.28Å
14Y81.5Confident82.4Confident13 Ų1361.1 Ų61.15%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-100.6124.9176.4-64.9-85.3000109.8T6 S7 L9 D12 V41 R42 S43 Y65 M257T6-Y14 CarbonylContact C-O 3.5Å; T6-Y14 VanDerWaalsContact CA-O 3.27Å; T6-Y14 WeakPolarHBondContact CA-O 3.08Å; S7-Y14 PolarHBondContact N-O 2.84Å; S7-Y14 PolarHBondContact O-N 2.89Å; L9-Y14 HydrophobicContact CB-CD2 4.13Å; L9-Y14 HydrophobicContact CB-CE2 3.79Å; L9-Y14 HydrophobicContact CD2-CE2 4.48Å; D12-Y14 HydrophobicContact CB-CD2 4.15Å; D12-Y14 HydrophobicContact CB-CE2 3.34Å; D12-Y14 PolarHBondContact OD2-OH 3.08Å; D12-Y14 VanDerWaalsContact OD2-OH 3.12Å; Y14-V41 HydrophobicContact CD1-CG1 4.34Å; Y14-R42 CarbonylContact C-O 3.59Å; Y14-R42 WeakPolarHBondContact CA-O 3.28Å; Y14-S43 VanDerWaalsContact CE1-CB 3.5Å; Y14-Y65 AromaticContact CD1-CE2 3.63Å; Y14-Y65 HydrophobicContact CD1-CE2 3.63Å; Y14-Y65 AromaticContact CD1-CZ 3.63Å; Y14-Y65 WeakPolarHBondContact CD1-OH 3.44Å; Y14-Y65 AromaticContact CE1-CE2 3.88Å; Y14-Y65 HydrophobicContact CE1-CE2 3.88Å; Y14-Y65 AromaticContact CE1-CZ 3.81Å; Y14-Y65 WeakPolarHBondContact CE1-OH 3.22Å; Y14-Y65 HydrophobicContact CG-CE2 4.46Å; Y14-Y65 VanDerWaalsContact CZ-OH 3.27Å; Y14-M257 HydrophobicContact CE1-CE 4.31Å; Y14-M257 HydrophobicContact CE1-SD 4.01Å
15C85.4Confident83.6Confident16 Ų1660.5 Ų60.511%0.10832%0.318CS..EExtended strand (participates in β ladder)trans-118.3108.8-172.3-177.90000110.3R4 T5 T6 R42R4-C15 VanDerWaalsContact CB-SG 3.51Å; R4-C15 VanDerWaalsContact CD-SG 3.54Å; T5-C15 WeakPolarHBondContact O-CA 3.33Å; T6-C15 HydrophobicContact CG2-CB 4.3Å; C15-R42 HydrophobicContact CB-CB 4.47Å; C15-R42 PolarHBondContact N-O 2.56Å; C15-R42 PolarHBondContact O-N 2.93Å
16L87.5Confident84.5Confident1 Ų159 Ų591%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-85126.2170.2-177.764.4000108.9R4 T5 S20 V41 I67 F243 C252 L254R4-L16 CarbonylContact C-O 3.53Å; R4-L16 WeakPolarHBondContact CA-O 3.45Å; R4-L16 WeakPolarHBondContact CB-O 3.18Å; T5-L16 HydrophobicContact CG2-CB 3.81Å; T5-L16 HydrophobicContact CG2-CD2 4.16Å; T5-L16 HydrophobicContact CG2-CG 4.44Å; T5-L16 PolarHBondContact N-O 3.33Å; T5-L16 PolarHBondContact O-N 2.93Å; L16-S20 VanDerWaalsContact CD1-CB 3.43Å; L16-V41 HydrophobicContact CD1-CG2 4.1Å; L16-I67 HydrophobicContact CD1-CD1 3.31Å; L16-I67 HydrophobicContact CD2-CD1 3.94Å; L16-I67 HydrophobicContact CD2-CG2 4.21Å; L16-I67 HydrophobicContact CG-CD1 4.27Å; L16-F243 HydrophobicContact CB-CE1 4.46Å; L16-F243 HydrophobicContact CD2-CD1 3.99Å; L16-F243 HydrophobicContact CD2-CE1 3.48Å; L16-F243 VanDerWaalsContact CD2-CE1 3.48Å; L16-F243 HydrophobicContact CD2-CZ 4.37Å; L16-F243 HydrophobicContact CG-CD1 4.46Å; L16-F243 HydrophobicContact CG-CE1 3.63Å; L16-F243 HydrophobicContact CG-CZ 4.04Å; L16-C252 HydrophobicContact CD2-CB 3.78Å; L16-L254 HydrophobicContact CB-CD2 4.39Å; L16-L254 HydrophobicContact CD2-CD2 4.44Å
17T89.7Confident85.4Confident20 Ų2060.3 Ų60.312%0.12332%0.317CS..EExtended strand (participates in β ladder)trans-114163.3-176.670.10000111.9S3 R4 N19 S20 L21 F243S3-T17 WeakPolarHBondContact O-CA 3.32Å; R4-T17 HydrophobicContact CB-CG2 4.39Å; T17-N19 PolarHBondContact O-N 2.88Å; T17-N19 PolarHBondContact OG1-N 3.17Å; T17-S20 PolarHBondContact N-OG 2.92Å; T17-S20 WeakPolarHBondContact O-CA 3.31Å; T17-S20 WeakPolarHBondContact O-CB 3.29Å; T17-S20 PolarHBondContact O-N 3.43Å; T17-S20 PolarHBondContact OG1-N 3.1Å; T17-S20 VanDerWaalsContact OG1-N 3.15Å; T17-S20 PolarHBondContact OG1-OG 3.26Å; T17-L21 PolarHBondContact O-N 2.85Å; T17-L21 VanDerWaalsContact O-N 3.16Å; T17-F243 VanDerWaalsContact C-CZ 3.5Å
18V89.9Confident86.4Confident20 Ų2059.1 Ų59.112%0.12131%0.311CS..Hα-helixtrans-56-37.8172.4-179.50000111.6S3 S20 L21 R22 A237 P242 F243S3-V18 WeakPolarHBondContact O-CG2 3.33Å; S3-V18 PolarHBondContact O-N 2.76Å; V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 3.34Å; V18-L21 WeakPolarHBondContact O-CB 3.33Å; V18-L21 PolarHBondContact O-N 2.86Å; V18-R22 HydrophobicContact CG1-CG 4.46Å; V18-R22 WeakPolarHBondContact O-CG 3.27Å; V18-R22 PolarHBondContact O-N 2.85Å; V18-A237 HydrophobicContact CG1-CB 4.5Å; V18-A237 WeakPolarHBondContact CG1-O 3.33Å; V18-P242 HydrophobicContact CG2-CG 3.86Å; V18-F243 HydrophobicContact CG2-CE2 4.17Å
19N90.4Very high87.5Confident83 Ų8353.4 Ų53.444%0.44429%0.29SS..Hα-helixtrans-65.6-35.3176.4-75.5-15.7000112.2T17 L21 R22 Q23T17-N19 PolarHBondContact O-N 2.88Å; T17-N19 PolarHBondContact OG1-N 3.17Å; N19-L21 VanDerWaalsContact C-N 3.33Å; N19-L21 PolarHBondContact O-N 2.85Å; N19-R22 PolarHBondContact O-N 3.27Å; N19-Q23 WeakPolarHBondContact O-CB 3.42Å; N19-Q23 WeakPolarHBondContact O-CG 3.38Å; N19-Q23 PolarHBondContact O-N 3.47Å
20S91Very high88.9Confident6 Ų653.7 Ų53.74%0.04229%0.287CS..Hα-helixtrans-58.7-44.8171.7-52.60000111.2L16 T17 V18 Q23 A24 A39 D40L16-S20 VanDerWaalsContact CD1-CB 3.43Å; T17-S20 PolarHBondContact N-OG 2.92Å; T17-S20 WeakPolarHBondContact O-CA 3.31Å; T17-S20 WeakPolarHBondContact O-CB 3.29Å; T17-S20 PolarHBondContact O-N 3.43Å; T17-S20 PolarHBondContact OG1-N 3.1Å; T17-S20 VanDerWaalsContact OG1-N 3.15Å; T17-S20 PolarHBondContact OG1-OG 3.26Å; V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 3.34Å; S20-Q23 PolarHBondContact O-N 2.86Å; S20-A24 WeakPolarHBondContact O-CB 3.29Å; S20-A24 PolarHBondContact O-N 3.14Å; S20-A39 WeakPolarHBondContact O-CB 3.49Å; S20-D40 WeakPolarHBondContact CB-O 3.12Å; S20-D40 PolarHBondContact OG-O 3.38Å
21L92.6Very high90Very high2 Ų254.6 Ų54.61%0.0127%0.274CS..Hα-helixtrans-63.8-41.3174.9-71.5-179.8000112.5T17 V18 N19 Q23 A24 L37 L236 A237 P242 F243T17-L21 PolarHBondContact O-N 2.85Å; T17-L21 VanDerWaalsContact O-N 3.16Å; V18-L21 WeakPolarHBondContact O-CB 3.33Å; V18-L21 PolarHBondContact O-N 2.86Å; N19-L21 VanDerWaalsContact C-N 3.33Å; N19-L21 PolarHBondContact O-N 2.85Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.21Å; L21-A24 VanDerWaalsContact O-CB 3.28Å; L21-A24 WeakPolarHBondContact O-CB 3.33Å; L21-A24 PolarHBondContact O-N 3.24Å; L21-L37 HydrophobicContact CD2-CD1 4Å; L21-L236 HydrophobicContact CD1-CD2 4.41Å; L21-A237 HydrophobicContact CB-CB 3.97Å; L21-P242 HydrophobicContact CD1-CB 4.12Å; L21-P242 HydrophobicContact CD1-CG 4.43Å; L21-F243 HydrophobicContact CD1-CD1 4.22Å; L21-F243 HydrophobicContact CD1-CE1 3.37Å; L21-F243 HydrophobicContact CD1-CZ 3.67Å; L21-F243 HydrophobicContact CD2-CE1 4.28Å; L21-F243 HydrophobicContact CG-CE1 3.73Å; L21-F243 HydrophobicContact CG-CZ 4Å
22R93.5Very high91.2Very high159 Ų15954.8 Ų54.860%0.627%0.27SS*.Hα-helixtrans-63.6-34.1179.1-70176-177.7175.5-2113.1V18 N19 A237V18-R22 HydrophobicContact CG1-CG 4.46Å; V18-R22 WeakPolarHBondContact O-CG 3.27Å; V18-R22 PolarHBondContact O-N 2.85Å; N19-R22 PolarHBondContact O-N 3.27Å; R22-A237 HydrophobicContact CG-CB 3.72Å
23Q93.2Very high92.3Very high141 Ų14156.8 Ų56.866%0.65928%0.278SS*.THydrogen-bonded Turntrans-93.6-2.7-179.9-65.8178.2-33.600112.5N19 S20 L21N19-Q23 WeakPolarHBondContact O-CB 3.42Å; N19-Q23 WeakPolarHBondContact O-CG 3.38Å; N19-Q23 PolarHBondContact O-N 3.47Å; S20-Q23 PolarHBondContact O-N 2.86Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.21Å
24A95.4Very high93.3Very high18 Ų1859.3 Ų59.315%0.14929%0.288CS..PPolyproline II helixtrans-66.4138.9-176.200000111.5S20 L21 L37 I38 A39S20-A24 WeakPolarHBondContact O-CB 3.29Å; S20-A24 PolarHBondContact O-N 3.14Å; L21-A24 VanDerWaalsContact O-CB 3.28Å; L21-A24 WeakPolarHBondContact O-CB 3.33Å; L21-A24 PolarHBondContact O-N 3.24Å; A24-L37 HydrophobicContact CB-CB 4.13Å; A24-L37 HydrophobicContact CB-CD1 3.98Å; A24-I38 CarbonylContact C-O 3.53Å; A24-I38 WeakPolarHBondContact CA-O 3.3Å; A24-A39 HydrophobicContact CB-CB 3.73Å
25K97Very high94.1Very high145 Ų14558.7 Ų58.763%0.6329%0.285SS*.EExtended strand (participates in β ladder)trans-91.1123.1170.4-177.2-178.8178.6-177.70109.4V27 L37 I38K25-V27 PolarHBondContact O-N 3.4Å; K25-L37 CarbonylContact O-C 3.56Å; K25-L37 VanDerWaalsContact O-CA 3.32Å; K25-L37 WeakPolarHBondContact O-CA 3.27Å; K25-I38 PolarHBondContact N-O 3Å; K25-I38 PolarHBondContact O-N 3.43Å
26V98.2Very high94.7Very high11 Ų1159.9 Ų59.97%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-69.9120.9170.5178.50000109.4I35 L37 M229 E230 I233V26-I35 HydrophobicContact CG1-CG2 3.98Å; V26-L37 HydrophobicContact CB-CD2 4.3Å; V26-L37 HydrophobicContact CG2-CD2 3.74Å; V26-M229 HydrophobicContact CG1-CB 3.84Å; V26-M229 HydrophobicContact CG1-CE 4.2Å; V26-M229 HydrophobicContact CG1-SD 4.28Å; V26-E230 HydrophobicContact CB-CG 4.04Å; V26-E230 HydrophobicContact CG2-CB 4.47Å; V26-E230 HydrophobicContact CG2-CG 3.77Å; V26-I233 HydrophobicContact CG2-CG1 4.09Å
27V97.2Very high95.2Very high84 Ų8459.9 Ų59.951%0.50929%0.29SS..EExtended strand (participates in β ladder)trans-84.9-52.5175.6179.10000110K25 L36 I38K25-V27 PolarHBondContact O-N 3.4Å; V27-L36 HydrophobicContact CB-CB 4.19Å; V27-L36 WeakPolarHBondContact CB-O 3.28Å; V27-L36 PolarHBondContact N-O 2.67Å; V27-I38 HydrophobicContact CG2-CB 4.47Å; V27-I38 HydrophobicContact CG2-CD1 3.65Å; V27-I38 HydrophobicContact CG2-CG1 3.57Å
28G97.5Very high95.5Very high19 Ų1961.3 Ų61.320%0.19630%0.297CS..EExtended strand (participates in β ladder)trans169.1-176.8-175.900000112.6L36 M229G28-L36 PolarHBondContact O-N 2.82Å; G28-M229 VanDerWaalsContact C-SD 3.57Å
29Q98.1Very high95.6Very high45 Ų4560.5 Ų60.521%0.2129%0.292CS..EExtended strand (participates in β ladder)trans-96.8129.1177.5-156.6-17825.500109.8F34 S222 M229Q29-F34 CarbonylContact C-O 3.58Å; Q29-F34 WeakPolarHBondContact CA-O 3.43Å; Q29-S222 PolarHBondContact NE2-O 3.08Å; Q29-M229 HydrophobicContact CB-CE 4.39Å; Q29-M229 HydrophobicContact CB-SD 3.6Å; Q29-M229 HydrophobicContact CG-SD 4.2Å; Q29-M229 PolarHBondContact N-SD 3.22Å
30F96.6Very high95.6Very high122 Ų12259.1 Ų59.154%0.53528%0.284SS..EExtended strand (participates in β ladder)trans-104.1127.7173.8-177.7-102.3000110.5K32 K33 F34 L36F30-K32 PolarHBondContact O-N 3Å; F30-K33 PolarHBondContact O-N 3.24Å; F30-F34 HydrophobicContact CB-CB 4.42Å; F30-F34 HydrophobicContact CD1-CD2 4.14Å; F30-F34 PolarHBondContact N-O 3.45Å; F30-F34 PolarHBondContact O-N 3.16Å; F30-L36 HydrophobicContact CB-CD1 3.88Å; F30-L36 HydrophobicContact CB-CD2 4.2Å; F30-L36 HydrophobicContact CB-CG 3.86Å; F30-L36 HydrophobicContact CG-CD1 4.45Å
31D95.1Very high95.4Very high93 Ų9358.9 Ų58.950%0.49728%0.282SS..THydrogen-bonded Turntrans53.615.2-179.9-165.131.6000115.4K33D31-K33 HydrophobicContact CB-CG 4.29Å; D31-K33 WeakPolarHBondContact O-CG 3.19Å; D31-K33 PolarHBondContact O-N 3.48Å; D31-K33 VanDerWaalsContact OD2-CD 3.31Å; D31-K33 WeakPolarHBondContact OD2-CD 3.48Å; D31-K33 WeakPolarHBondContact OD2-CE 3.09Å; D31-K33 IonicContact OD2-NZ 2.7Å; D31-K33 PolarHBondContact OD2-NZ 3.19Å
32K96.2Very high95.1Very high108 Ų10864.6 Ų64.647%0.4730%0.304SS..THydrogen-bonded Turntrans57.527.1-169.2-48.3174.2-171.1169.10113.8F30 Q71 G221 K223F30-K32 PolarHBondContact O-N 3Å; K32-Q71 PolarHBondContact O-NE2 3.46Å; K32-Q71 PolarHBondContact O-OE1 3.17Å; K32-G221 VanDerWaalsContact CD-O 3.27Å; K32-G221 WeakPolarHBondContact CD-O 3.39Å; K32-G221 WeakPolarHBondContact O-CA 3.5Å; K32-G221 PolarHBondContact O-N 2.97Å; K32-K223 HydrophobicContact CD-CB 4.32Å
33K95.3Very high94.3Very high73 Ų7357.5 Ų57.532%0.31728%0.279SS..THydrogen-bonded Turntrans-126.4-38.3-178.3-56.9-169.8179.4142.30112.3F30 D31 Q71 F220F30-K33 PolarHBondContact O-N 3.24Å; D31-K33 HydrophobicContact CB-CG 4.29Å; D31-K33 WeakPolarHBondContact O-CG 3.19Å; D31-K33 PolarHBondContact O-N 3.48Å; D31-K33 VanDerWaalsContact OD2-CD 3.31Å; D31-K33 WeakPolarHBondContact OD2-CD 3.48Å; D31-K33 WeakPolarHBondContact OD2-CE 3.09Å; D31-K33 IonicContact OD2-NZ 2.7Å; D31-K33 PolarHBondContact OD2-NZ 3.19Å; K33-Q71 WeakPolarHBondContact O-CB 3.31Å; K33-Q71 WeakPolarHBondContact O-CG 3.41Å; K33-Q71 PolarHBondContact O-N 2.97Å; K33-Q71 VanDerWaalsContact O-N 3.07Å; K33-Q71 PolarHBondContact O-OE1 2.86Å; K33-F220 HydrophobicContact CB-CD1 3.65Å; K33-F220 HydrophobicContact CB-CE1 3.85Å; K33-F220 HydrophobicContact CD-CD1 3.7Å; K33-F220 HydrophobicContact CD-CE1 4.16Å; K33-F220 HydrophobicContact CG-CD1 3.59Å; K33-F220 HydrophobicContact CG-CE1 4.2Å
34F97.4Very high93.4Very high67 Ų6752.9 Ų52.929%0.29426%0.262SS..EExtended strand (participates in β ladder)trans-119.1144.5-175.1-56.1-80.7000110.7Q29 F30 A68 V69 D70Q29-F34 CarbonylContact C-O 3.58Å; Q29-F34 WeakPolarHBondContact CA-O 3.43Å; F30-F34 HydrophobicContact CB-CB 4.42Å; F30-F34 HydrophobicContact CD1-CD2 4.14Å; F30-F34 PolarHBondContact N-O 3.45Å; F30-F34 PolarHBondContact O-N 3.16Å; F34-A68 HydrophobicContact CB-CB 4.44Å; F34-A68 HydrophobicContact CD1-CB 4.43Å; F34-V69 CarbonylContact C-O 3.52Å; F34-V69 WeakPolarHBondContact CA-O 3.46Å; F34-D70 HydrophobicContact CD1-CB 4.28Å; F34-D70 HydrophobicContact CE1-CB 4.18Å
35I98.3Very high91.9Very high0 Ų058.5 Ų58.50%029%0.285CS..EExtended strand (participates in β ladder)trans-99.1122.9166.4-56.7174.9000107V26 L37 V69 Q71 L224 M229 L232 I233V26-I35 HydrophobicContact CG1-CG2 3.98Å; I35-L37 HydrophobicContact CG2-CD2 3.76Å; I35-V69 HydrophobicContact CB-CB 4.38Å; I35-V69 PolarHBondContact N-O 3.01Å; I35-V69 PolarHBondContact O-N 3.15Å; I35-Q71 HydrophobicContact CD1-CB 4.36Å; I35-Q71 HydrophobicContact CG1-CB 4.24Å; I35-L224 HydrophobicContact CD1-CD1 4.19Å; I35-M229 HydrophobicContact CD1-CB 3.96Å; I35-M229 HydrophobicContact CD1-CG 3.87Å; I35-M229 HydrophobicContact CG1-CB 4.42Å; I35-M229 HydrophobicContact CG1-CG 3.99Å; I35-M229 HydrophobicContact CG1-SD 4.15Å; I35-M229 HydrophobicContact CG2-CB 4.09Å; I35-M229 HydrophobicContact CG2-CG 4.29Å; I35-M229 HydrophobicContact CG2-SD 4.04Å; I35-L232 HydrophobicContact CD1-CB 4.37Å; I35-L232 HydrophobicContact CD1-CD2 3.61Å; I35-I233 HydrophobicContact CD1-CD1 4.31Å; I35-I233 HydrophobicContact CG2-CD1 4.33Å; I35-I233 HydrophobicContact CG2-CG1 4.36Å
36L98.1Very high89.7Confident41 Ų4159.1 Ų59.122%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-89.2129176.6-60.9-176000109.9V27 G28 F30 I67 A68V27-L36 HydrophobicContact CB-CB 4.19Å; V27-L36 WeakPolarHBondContact CB-O 3.28Å; V27-L36 PolarHBondContact N-O 2.67Å; G28-L36 PolarHBondContact O-N 2.82Å; F30-L36 HydrophobicContact CB-CD1 3.88Å; F30-L36 HydrophobicContact CB-CD2 4.2Å; F30-L36 HydrophobicContact CB-CG 3.86Å; F30-L36 HydrophobicContact CG-CD1 4.45Å; L36-I67 WeakPolarHBondContact CA-O 3.17Å; L36-A68 HydrophobicContact CD2-CB 4.06Å
37L97.8Very high87.2Confident0 Ų065.8 Ų65.80%031%0.312CS..EExtended strand (participates in β ladder)trans-119.4151.9177.7-46.8-179.1000110.7L21 A24 K25 V26 I35 I66 I67 V69 I233L21-L37 HydrophobicContact CD2-CD1 4Å; A24-L37 HydrophobicContact CB-CB 4.13Å; A24-L37 HydrophobicContact CB-CD1 3.98Å; K25-L37 CarbonylContact O-C 3.56Å; K25-L37 VanDerWaalsContact O-CA 3.32Å; K25-L37 WeakPolarHBondContact O-CA 3.27Å; V26-L37 HydrophobicContact CB-CD2 4.3Å; V26-L37 HydrophobicContact CG2-CD2 3.74Å; I35-L37 HydrophobicContact CG2-CD2 3.76Å; L37-I66 CarbonylContact O-C 3.58Å; L37-I66 WeakPolarHBondContact O-CA 3.41Å; L37-I67 HydrophobicContact CB-CB 4.27Å; L37-I67 PolarHBondContact N-O 2.95Å; L37-I67 PolarHBondContact O-N 3.24Å; L37-V69 HydrophobicContact CD1-CG2 3.52Å; L37-V69 HydrophobicContact CG-CG2 3.96Å; L37-I233 HydrophobicContact CD1-CD1 3.95Å; L37-I233 HydrophobicContact CD1-CG1 4.26Å; L37-I233 HydrophobicContact CD1-CG2 4.11Å; L37-I233 HydrophobicContact CD2-CD1 4.02Å; L37-I233 HydrophobicContact CD2-CG1 3.75Å; L37-I233 HydrophobicContact CG-CD1 4.46Å
38I96.3Very high84.8Confident51 Ų5167.1 Ų67.126%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-108.4122.7160.7-65.2169.1000107.5A24 K25 V27 L64 Y65 I258A24-I38 CarbonylContact C-O 3.53Å; A24-I38 WeakPolarHBondContact CA-O 3.3Å; K25-I38 PolarHBondContact N-O 3Å; K25-I38 PolarHBondContact O-N 3.43Å; V27-I38 HydrophobicContact CG2-CB 4.47Å; V27-I38 HydrophobicContact CG2-CD1 3.65Å; V27-I38 HydrophobicContact CG2-CG1 3.57Å; I38-L64 HydrophobicContact CG2-CD2 4.01Å; I38-Y65 WeakPolarHBondContact CA-O 3.43Å; I38-I258 HydrophobicContact CB-CD1 4.47Å; I38-I258 HydrophobicContact CD1-CD1 4.04Å; I38-I258 HydrophobicContact CG1-CD1 3.86Å; I38-I258 HydrophobicContact CG2-CD1 3.87Å
39A92.6Very high82.1Confident2 Ų275.2 Ų75.22%0.01735%0.346CS..EExtended strand (participates in β ladder)trans-146.1154.9179.700000112.9S20 A24 Y65 I67S20-A39 WeakPolarHBondContact O-CB 3.49Å; A24-A39 HydrophobicContact CB-CB 3.73Å; A39-Y65 PolarHBondContact N-O 2.86Å; A39-Y65 VanDerWaalsContact N-O 3.08Å; A39-Y65 PolarHBondContact O-N 3.32Å; A39-I67 HydrophobicContact CB-CD1 3.7Å
40D91.2Very high79.4Confident55 Ų5578.7 Ų78.729%0.29436%0.362SS..EExtended strand (participates in β ladder)trans-70.9125.1171.6-78.1-16.9000111S20 L64S20-D40 WeakPolarHBondContact CB-O 3.12Å; S20-D40 PolarHBondContact OG-O 3.38Å; D40-L64 WeakPolarHBondContact OD1-CD2 3.34Å
41V86.7Confident76.6Confident0 Ų081.3 Ų81.30%038%0.376CS..EExtended strand (participates in β ladder)trans-117.3134.9175.2-179.50000108.7Y14 L16 K62 H63 Y65 I67 L254Y14-V41 HydrophobicContact CD1-CG1 4.34Å; L16-V41 HydrophobicContact CD1-CG2 4.1Å; V41-K62 WeakPolarHBondContact O-CA 3.39Å; V41-H63 PolarHBondContact N-O 3.21Å; V41-H63 PolarHBondContact O-N 2.78Å; V41-Y65 HydrophobicContact CB-CD2 3.61Å; V41-Y65 HydrophobicContact CB-CE2 4.08Å; V41-Y65 HydrophobicContact CB-CG 4.28Å; V41-Y65 HydrophobicContact CG1-CD2 4.25Å; V41-Y65 HydrophobicContact CG1-CE2 4.3Å; V41-Y65 HydrophobicContact CG2-CD2 3.74Å; V41-Y65 HydrophobicContact CG2-CG 3.91Å; V41-I67 HydrophobicContact CG2-CD1 4.32Å; V41-L254 HydrophobicContact CG1-CD1 3.98Å; V41-L254 HydrophobicContact CG2-CD2 3.78Å
42R84.6Confident74Confident123 Ų12384.8 Ų84.846%0.46439%0.394SS..EExtended strand (participates in β ladder)trans-85.7128.4178.4-61.8-178.5-175-172.6-1.4109.1Y14 C15 S61Y14-R42 CarbonylContact C-O 3.59Å; Y14-R42 WeakPolarHBondContact CA-O 3.28Å; C15-R42 HydrophobicContact CB-CB 4.47Å; C15-R42 PolarHBondContact N-O 2.56Å; C15-R42 PolarHBondContact O-N 2.93Å; R42-S61 CarbonylContact C-O 3.58Å; R42-S61 WeakPolarHBondContact CA-O 3.49Å
43S78.6Confident71.5Confident10 Ų1084 Ų847%0.0740%0.401CS..EExtended strand (participates in β ladder)trans-104.4147.2170.6610000110.5V13 Y14 T60 S61 H63V13-S43 CarbonylContact O-C 3.47Å; V13-S43 VanDerWaalsContact O-CA 3.3Å; V13-S43 WeakPolarHBondContact O-CA 3.05Å; Y14-S43 VanDerWaalsContact CE1-CB 3.5Å; S43-T60 VanDerWaalsContact O-CA 3.28Å; S43-T60 WeakPolarHBondContact O-CA 2.93Å; S43-S61 PolarHBondContact N-O 2.86Å; S43-S61 PolarHBondContact O-N 2.87Å; S43-S61 WeakPolarHBondContact OG-CB 3.44Å; S43-S61 PolarHBondContact OG-O 2.83Å; S43-H63 PolarHBondContact OG-CD2 3.35Å; S43-H63 PolarHBondContact OG-NE2 3.11Å
44S73Confident68.9Low43 Ų4385.9 Ų85.930%0.30142%0.424SS..EExtended strand (participates in β ladder)trans-138.9127.8167.656.20000109.6V13V13-S44 PolarHBondContact N-O 3.31Å; V13-S44 PolarHBondContact O-N 2.96Å
45H63.7Low66.3Low136 Ų13692.1 Ų92.163%0.6345%0.451SS*.EExtended strand (participates in β ladder)trans-69.2125.4173.6-83.1-65.4000110.7D12 K47D12-H45 IonicContact OD1-CE1 2.93Å; D12-H45 PolarHBondContact OD1-CE1 2.93Å; D12-H45 IonicContact OD1-CG 3.5Å; D12-H45 IonicContact OD1-ND1 2.56Å; D12-H45 PolarHBondContact OD1-ND1 3.48Å; D12-H45 IonicContact OD1-NE2 3.96Å; D12-H45 IonicContact OD2-CE1 3.69Å; H45-K47 PolarHBondContact O-N 3.42Å
46Y51.6Low63.6Low159 Ų159102 Ų10262%0.62449%0.494SS*.  trans-87.2102169.5-146.9-92.2000108.5N11 V13 I48N11-Y46 WeakPolarHBondContact O-CB 3.17Å; N11-Y46 PolarHBondContact O-N 3.3Å; V13-Y46 HydrophobicContact CG2-CD2 4.28Å; Y46-I48 HydrophobicContact CD1-CG1 4.32Å; Y46-I48 PolarHBondContact O-N 3.43Å
47K45.1Very low61.1Low150 Ų150108.2 Ų108.265%0.65252%0.521SS*.  trans-71.6108.2166.7-77.6-173.4175.1-172.80107.7H45 F49 E50H45-K47 PolarHBondContact O-N 3.42Å; K47-F49 PolarHBondContact O-N 3.12Å; K47-E50 IonicContact NZ-OE2 2.96Å; K47-E50 PolarHBondContact NZ-OE2 2.97Å
48I47.6Very low58.7Low112 Ų112110.9 Ų110.957%0.57455%0.549SS*.SBendtrans-66.4-19.7179.9-66.2172.2000111.9Y46Y46-I48 HydrophobicContact CD1-CG1 4.32Å; Y46-I48 PolarHBondContact O-N 3.43Å
49F39.5Very low56.6Low190 Ų190118.4 Ų118.483%0.83358%0.576SS**SBendtrans-127.281.2-178.3-69-88.3000111.1K47K47-F49 PolarHBondContact O-N 3.12Å
50E41.6Very low55.1Low118 Ų118123.2 Ų123.255%0.55161%0.605SS**  trans-161.773.8154.9-116.6176.717700108.7K47K47-E50 IonicContact NZ-OE2 2.96Å; K47-E50 PolarHBondContact NZ-OE2 2.97Å
51E38.7Very low54.4Low176 Ų176123.4 Ų123.482%0.82261%0.611SS**  trans-58.7141.2152.1-74.3-178.9152.700108.7
52L39.8Very low54.1Low167 Ų167129.8 Ų129.887%0.87464%0.638SS**SBendtrans84.3-0.3158.7-60.5159.4000121S54L52-S54 PolarHBondContact O-N 3.02Å
53S44.8Very low54.2Low90 Ų90126.7 Ų126.763%0.62963%0.629SS**  trans-9797.6175.9-65.40000113K55S53-K55 PolarHBondContact O-N 3.15Å
54S40.5Very low54.8Low114 Ų114129 Ų12980%0.79764%0.64SS**  trans-55.586.7172.143.40000113.1L52L52-S54 PolarHBondContact O-N 3.02Å
55K42.2Very low55.7Low198 Ų198127.4 Ų127.486%0.86163%0.628SS**  trans-170.697.2153.3-101.5154-167.5-174.30109.8S53 H57S53-K55 PolarHBondContact O-N 3.15Å; K55-H57 VanDerWaalsContact C-N 3.34Å; K55-H57 PolarHBondContact O-N 3.02Å
56K40.9Very low57.2Low207 Ų207123.7 Ų123.790%0.961%0.612SS**  trans-63.479.6177.8-66.4176.5177.61750111.8
57H45.6Very low59.2Low171 Ų171116.1 Ų116.179%0.79258%0.583SS**  trans-132.770.5163.5-92.945.4000108.6K55 Y59K55-H57 VanDerWaalsContact C-N 3.34Å; K55-H57 PolarHBondContact O-N 3.02Å; H57-Y59 PolarHBondContact O-N 3.48Å
58G47.7Very low61.7Low57 Ų57109.5 Ų109.559%0.58856%0.556SS**  trans-61.7116.715800000107T60G58-T60 PolarHBondContact O-N 2.92Å; G58-T60 VanDerWaalsContact O-N 3.14Å
59Y51.9Low64Low208 Ų208104.2 Ų104.282%0.81653%0.528SS*.  trans-57.6119.5172.4-75.1-87.5000108.1H57H57-Y59 PolarHBondContact O-N 3.48Å
60T62.6Low66.8Low104 Ų10496.8 Ų96.864%0.63850%0.497SS*.EExtended strand (participates in β ladder)trans-100.7106.1173.461.90000109.1S43 G58S43-T60 VanDerWaalsContact O-CA 3.28Å; S43-T60 WeakPolarHBondContact O-CA 2.93Å; G58-T60 PolarHBondContact O-N 2.92Å; G58-T60 VanDerWaalsContact O-N 3.14Å
61S75.7Confident69.4Low59 Ų5991.1 Ų91.141%0.41347%0.471SS..EExtended strand (participates in β ladder)trans-87.6152.5172.4-65.60000110R42 S43 H63R42-S61 CarbonylContact C-O 3.58Å; R42-S61 WeakPolarHBondContact CA-O 3.49Å; S43-S61 PolarHBondContact N-O 2.86Å; S43-S61 PolarHBondContact O-N 2.87Å; S43-S61 WeakPolarHBondContact OG-CB 3.44Å; S43-S61 PolarHBondContact OG-O 2.83Å; S61-H63 VanDerWaalsContact CB-NE2 3.35Å; S61-H63 WeakPolarHBondContact CB-NE2 3.4Å
62K80.2Confident72.1Confident133 Ų13384.2 Ų84.258%0.57844%0.439SS*.EExtended strand (participates in β ladder)trans-109.5127.6171.4-73-176.2-179-178.40108.6V41V41-K62 WeakPolarHBondContact O-CA 3.39Å
63H86.5Confident74.7Confident58 Ų5876.5 Ų76.527%0.26940%0.399SS..EExtended strand (participates in β ladder)trans-123.9145.3176.1-56.1-84.9000110V41 S43 S61 Y65 M257V41-H63 PolarHBondContact N-O 3.21Å; V41-H63 PolarHBondContact O-N 2.78Å; S43-H63 PolarHBondContact OG-CD2 3.35Å; S43-H63 PolarHBondContact OG-NE2 3.11Å; S61-H63 VanDerWaalsContact CB-NE2 3.35Å; S61-H63 WeakPolarHBondContact CB-NE2 3.4Å; H63-Y65 HydrophobicContact CB-CD2 4.22Å; H63-Y65 HydrophobicContact CB-CE2 4.05Å; H63-M257 HydrophobicContact CB-CE 4.2Å; H63-M257 HydrophobicContact CB-SD 3.29Å; H63-M257 WeakPolarHBondContact CB-SD 3.33Å
64L91.4Very high77.2Confident58 Ų5872.2 Ų72.230%0.30437%0.369SS..EExtended strand (participates in β ladder)trans-77.5134.7170.9-72.4171.1000108.8I38 D40 M257 I258I38-L64 HydrophobicContact CG2-CD2 4.01Å; D40-L64 WeakPolarHBondContact OD1-CD2 3.34Å; L64-M257 CarbonylContact O-C 3.56Å; L64-I258 HydrophobicContact CB-CB 4.02Å; L64-I258 HydrophobicContact CB-CD1 4.38Å; L64-I258 PolarHBondContact O-N 2.81Å
65Y92.2Very high79.9Confident10 Ų1068.8 Ų68.84%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-127146.4176.4-92.9-101.6000111.3Y14 I38 A39 V41 H63 L254 K256 M257Y14-Y65 AromaticContact CD1-CE2 3.63Å; Y14-Y65 HydrophobicContact CD1-CE2 3.63Å; Y14-Y65 AromaticContact CD1-CZ 3.63Å; Y14-Y65 WeakPolarHBondContact CD1-OH 3.44Å; Y14-Y65 AromaticContact CE1-CE2 3.88Å; Y14-Y65 HydrophobicContact CE1-CE2 3.88Å; Y14-Y65 AromaticContact CE1-CZ 3.81Å; Y14-Y65 WeakPolarHBondContact CE1-OH 3.22Å; Y14-Y65 HydrophobicContact CG-CE2 4.46Å; Y14-Y65 VanDerWaalsContact CZ-OH 3.27Å; I38-Y65 WeakPolarHBondContact CA-O 3.43Å; A39-Y65 PolarHBondContact N-O 2.86Å; A39-Y65 VanDerWaalsContact N-O 3.08Å; A39-Y65 PolarHBondContact O-N 3.32Å; V41-Y65 HydrophobicContact CB-CD2 3.61Å; V41-Y65 HydrophobicContact CB-CE2 4.08Å; V41-Y65 HydrophobicContact CB-CG 4.28Å; V41-Y65 HydrophobicContact CG1-CD2 4.25Å; V41-Y65 HydrophobicContact CG1-CE2 4.3Å; V41-Y65 HydrophobicContact CG2-CD2 3.74Å; V41-Y65 HydrophobicContact CG2-CG 3.91Å; H63-Y65 HydrophobicContact CB-CD2 4.22Å; H63-Y65 HydrophobicContact CB-CE2 4.05Å; Y65-L254 HydrophobicContact CD1-CB 4.01Å; Y65-L254 HydrophobicContact CD1-CD1 4.49Å; Y65-L254 HydrophobicContact CD1-CD2 4.31Å; Y65-L254 HydrophobicContact CE1-CB 4.2Å; Y65-L254 HydrophobicContact CE1-CD1 4.4Å; Y65-L254 HydrophobicContact CG-CD2 4.42Å; Y65-K256 CarbonylContact C-O 3.5Å; Y65-K256 VanDerWaalsContact CA-O 3.31Å; Y65-K256 WeakPolarHBondContact CA-O 3.43Å; Y65-K256 VanDerWaalsContact CD1-O 3.27Å; Y65-K256 WeakPolarHBondContact CD1-O 3.49Å; Y65-M257 HydrophobicContact CD2-CG 4.31Å; Y65-M257 HydrophobicContact CD2-SD 3.98Å; Y65-M257 HydrophobicContact CE1-CG 3.8Å; Y65-M257 HydrophobicContact CE1-SD 4.46Å; Y65-M257 HydrophobicContact CE2-CB 4.49Å; Y65-M257 HydrophobicContact CE2-CG 3.57Å; Y65-M257 HydrophobicContact CE2-SD 3.12Å; Y65-M257 WeakPolarHBondContact CE2-SD 3.5Å; Y65-M257 WeakPolarHBondContact OH-CG 3.2Å; Y65-M257 PolarHBondContact OH-SD 2.94Å; Y65-M257 VanDerWaalsContact OH-SD 3.33Å
66I94.6Very high82.4Confident59 Ų5959.6 Ų59.630%0.30330%0.301SS..EExtended strand (participates in β ladder)trans-78.1125.8157.5-57.7177.6000108L37 I255 K256 I258L37-I66 CarbonylContact O-C 3.58Å; L37-I66 WeakPolarHBondContact O-CA 3.41Å; I66-I255 HydrophobicContact CB-CB 4.42Å; I66-I255 HydrophobicContact CG2-CB 4.31Å; I66-I255 WeakPolarHBondContact O-CB 3.39Å; I66-I255 PolarHBondContact O-N 2.99Å; I66-K256 PolarHBondContact N-O 3.41Å; I66-I258 HydrophobicContact CD1-CG1 4.49Å; I66-I258 HydrophobicContact CG1-CD1 3.86Å; I66-I258 HydrophobicContact CG1-CG1 3.92Å
67I95Very high85.1Confident0 Ų050.5 Ų50.50%026%0.261CS..EExtended strand (participates in β ladder)trans-120.1130.4179.6-51.4-179.2000108.3L16 L36 L37 A39 V41 V69 C252 T253 L254L16-I67 HydrophobicContact CD1-CD1 3.31Å; L16-I67 HydrophobicContact CD2-CD1 3.94Å; L16-I67 HydrophobicContact CD2-CG2 4.21Å; L16-I67 HydrophobicContact CG-CD1 4.27Å; L36-I67 WeakPolarHBondContact CA-O 3.17Å; L37-I67 HydrophobicContact CB-CB 4.27Å; L37-I67 PolarHBondContact N-O 2.95Å; L37-I67 PolarHBondContact O-N 3.24Å; A39-I67 HydrophobicContact CB-CD1 3.7Å; V41-I67 HydrophobicContact CG2-CD1 4.32Å; I67-V69 HydrophobicContact CG2-CG2 4.38Å; I67-C252 HydrophobicContact CG2-CB 4.09Å; I67-T253 WeakPolarHBondContact CA-O 3.14Å; I67-L254 HydrophobicContact CD1-CD2 3.93Å; I67-L254 HydrophobicContact CG1-CD2 3.77Å
68A96.5Very high87.5Confident11 Ų1143 Ų439%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-95.7123.9169.400000109.5F34 L36 C252 T253 I255F34-A68 HydrophobicContact CB-CB 4.44Å; F34-A68 HydrophobicContact CD1-CB 4.43Å; L36-A68 HydrophobicContact CD2-CB 4.06Å; A68-C252 WeakPolarHBondContact O-CA 3.24Å; A68-T253 PolarHBondContact N-O 3.31Å; A68-T253 PolarHBondContact O-N 3.25Å; A68-I255 HydrophobicContact CB-CD1 3.81Å; A68-I255 HydrophobicContact CB-CG1 3.8Å
69V97.1Very high89.9Confident0 Ų041.4 Ų41.40%020%0.204CC..EExtended strand (participates in β ladder)trans-105.3121.8173.2-1780000108.6F34 I35 L37 I67 Q71 A74 I233 L236 T251F34-V69 CarbonylContact C-O 3.52Å; F34-V69 WeakPolarHBondContact CA-O 3.46Å; I35-V69 HydrophobicContact CB-CB 4.38Å; I35-V69 PolarHBondContact N-O 3.01Å; I35-V69 PolarHBondContact O-N 3.15Å; L37-V69 HydrophobicContact CD1-CG2 3.52Å; L37-V69 HydrophobicContact CG-CG2 3.96Å; I67-V69 HydrophobicContact CG2-CG2 4.38Å; V69-Q71 PolarHBondContact O-N 3.26Å; V69-A74 HydrophobicContact CG1-CB 3.87Å; V69-I233 HydrophobicContact CB-CD1 4.21Å; V69-I233 HydrophobicContact CG1-CD1 4.05Å; V69-I233 HydrophobicContact CG2-CD1 4.05Å; V69-L236 HydrophobicContact CG1-CD2 3.95Å; V69-T251 WeakPolarHBondContact CA-O 3.19Å; V69-T251 HydrophobicContact CG1-CG2 4.16Å
70D96.6Very high92Very high34 Ų3431.5 Ų31.518%0.18217%0.165CC..EExtended strand (participates in β ladder)trans-67.1113.3171.3178.2-32.9000108.9F34 H72 A73 A74 F220 T251F34-D70 HydrophobicContact CD1-CB 4.28Å; F34-D70 HydrophobicContact CE1-CB 4.18Å; D70-H72 VanDerWaalsContact C-N 3.27Å; D70-H72 PolarHBondContact O-N 2.96Å; D70-H72 WeakPolarHBondContact OD1-CA 3.19Å; D70-H72 WeakPolarHBondContact OD1-CB 3.33Å; D70-H72 PolarHBondContact OD1-N 3Å; D70-A73 HydrophobicContact CB-CB 3.75Å; D70-A73 VanDerWaalsContact CG-CB 3.48Å; D70-A73 PolarHBondContact O-N 2.92Å; D70-A73 PolarHBondContact OD1-N 3.26Å; D70-A74 WeakPolarHBondContact O-CB 3.49Å; D70-A74 PolarHBondContact O-N 3.01Å; D70-F220 WeakPolarHBondContact OD2-CZ 3.28Å; D70-T251 PolarHBondContact N-O 3.17Å
71Q96.2Very high93.6Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-67-31.1-172.679.3-169.433.100112.4K32 K33 I35 V69 H75 I218 R219 S222 L224 L232K32-Q71 PolarHBondContact O-NE2 3.46Å; K32-Q71 PolarHBondContact O-OE1 3.17Å; K33-Q71 WeakPolarHBondContact O-CB 3.31Å; K33-Q71 WeakPolarHBondContact O-CG 3.41Å; K33-Q71 PolarHBondContact O-N 2.97Å; K33-Q71 VanDerWaalsContact O-N 3.07Å; K33-Q71 PolarHBondContact O-OE1 2.86Å; I35-Q71 HydrophobicContact CD1-CB 4.36Å; I35-Q71 HydrophobicContact CG1-CB 4.24Å; V69-Q71 PolarHBondContact O-N 3.26Å; Q71-H75 PolarHBondContact O-N 2.92Å; Q71-I218 HydrophobicContact CG-CG2 4.1Å; Q71-R219 PolarHBondContact NE2-O 2.7Å; Q71-S222 PolarHBondContact NE2-O 3.45Å; Q71-S222 VanDerWaalsContact NE2-O 3.11Å; Q71-L224 HydrophobicContact CB-CD1 4.35Å; Q71-L232 HydrophobicContact CB-CD2 4.3Å
72H95.3Very high94.6Very high30 Ų3028.1 Ų28.114%0.13914%0.142CC..Hα-helixtrans-74.2-53.4179.6179.570.1000109.2D70 A74 H75 E76 I218 F220D70-H72 VanDerWaalsContact C-N 3.27Å; D70-H72 PolarHBondContact O-N 2.96Å; D70-H72 WeakPolarHBondContact OD1-CA 3.19Å; D70-H72 WeakPolarHBondContact OD1-CB 3.33Å; D70-H72 PolarHBondContact OD1-N 3Å; H72-A74 VanDerWaalsContact C-N 3.27Å; H72-A74 PolarHBondContact O-N 3.38Å; H72-H75 PolarHBondContact O-N 3.46Å; H72-H75 VanDerWaalsContact O-N 3.09Å; H72-E76 IonicContact CD2-OE1 3.13Å; H72-E76 IonicContact CD2-OE2 3.69Å; H72-E76 IonicContact CE1-OE1 2.73Å; H72-E76 IonicContact NE2-OE1 2.57Å; H72-E76 PolarHBondContact NE2-OE1 3.11Å; H72-E76 VanDerWaalsContact NE2-OE1 3.13Å; H72-E76 IonicContact NE2-OE2 3.67Å; H72-E76 WeakPolarHBondContact O-CG 3.38Å; H72-E76 PolarHBondContact O-N 3.07Å; H72-I218 WeakPolarHBondContact CA-O 3.37Å; H72-I218 WeakPolarHBondContact CB-O 3.28Å; H72-I218 PolarHBondContact ND1-O 3.16Å; H72-F220 HydrophobicContact CB-CD2 3.91Å; H72-F220 HydrophobicContact CB-CE2 3.67Å; H72-F220 HydrophobicContact CB-CZ 4.26Å
73A95.3Very high95.3Very high5 Ų522.2 Ų22.24%0.04112%0.116CC..Hα-helixtrans-56.9-39.1177.300000112.8D70 R77 C245 T251D70-A73 HydrophobicContact CB-CB 3.75Å; D70-A73 VanDerWaalsContact CG-CB 3.48Å; D70-A73 PolarHBondContact O-N 2.92Å; D70-A73 PolarHBondContact OD1-N 3.26Å; A73-R77 PolarHBondContact O-N 2.98Å; A73-R77 VanDerWaalsContact O-N 3.13Å; A73-C245 HydrophobicContact CB-CB 3.65Å; A73-T251 HydrophobicContact CB-CG2 4.34Å
74A96.4Very high95.8Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-63.2-48175.500000111.4V69 D70 H72 R77 I78 L232 L236 T251V69-A74 HydrophobicContact CG1-CB 3.87Å; D70-A74 WeakPolarHBondContact O-CB 3.49Å; D70-A74 PolarHBondContact O-N 3.01Å; H72-A74 VanDerWaalsContact C-N 3.27Å; H72-A74 PolarHBondContact O-N 3.38Å; A74-R77 PolarHBondContact O-N 2.93Å; A74-I78 WeakPolarHBondContact O-CD1 3.47Å; A74-I78 VanDerWaalsContact O-CG1 3.32Å; A74-I78 WeakPolarHBondContact O-CG1 3.44Å; A74-I78 PolarHBondContact O-N 3.49Å; A74-I78 VanDerWaalsContact O-N 3.08Å; A74-L232 HydrophobicContact CB-CD2 4.18Å; A74-L232 HydrophobicContact CB-CG 4.42Å; A74-L236 HydrophobicContact CB-CD1 4.14Å; A74-L236 HydrophobicContact CB-CD2 3.9Å; A74-T251 HydrophobicContact CB-CG2 3.76Å
75H97.5Very high96Very high42 Ų4225 Ų2519%0.19413%0.125CC..Hα-helixtrans-68.9-38.7-179.6-161.4-151.5000112.2Q71 H72 R77 I78 L79 A217 I218 L232Q71-H75 PolarHBondContact O-N 2.92Å; H72-H75 PolarHBondContact O-N 3.46Å; H72-H75 VanDerWaalsContact O-N 3.09Å; H75-R77 VanDerWaalsContact C-N 3.31Å; H75-R77 PolarHBondContact O-N 2.86Å; H75-I78 PolarHBondContact O-N 3.21Å; H75-L79 WeakPolarHBondContact O-CB 3.45Å; H75-L79 VanDerWaalsContact O-CG 3.29Å; H75-L79 WeakPolarHBondContact O-CG 3.28Å; H75-L79 PolarHBondContact O-N 2.73Å; H75-A217 HydrophobicContact CB-CB 4.2Å; H75-A217 WeakPolarHBondContact ND1-CA 3.49Å; H75-I218 HydrophobicContact CB-CB 4.35Å; H75-I218 HydrophobicContact CB-CD1 4.24Å; H75-I218 HydrophobicContact CB-CG1 4.45Å; H75-I218 WeakPolarHBondContact ND1-CG1 3.43Å; H75-I218 PolarHBondContact ND1-N 3.4Å; H75-L232 HydrophobicContact CB-CD1 3.86Å
76E95.9Very high96.1Very high6 Ų628.7 Ų28.73%0.02814%0.143CC..Hα-helixtrans-54.5-46.9172.3-74.6-171.2137.100111.6H72 L79 L80 C214 A217 A246 H247H72-E76 IonicContact CD2-OE1 3.13Å; H72-E76 IonicContact CD2-OE2 3.69Å; H72-E76 IonicContact CE1-OE1 2.73Å; H72-E76 IonicContact NE2-OE1 2.57Å; H72-E76 PolarHBondContact NE2-OE1 3.11Å; H72-E76 VanDerWaalsContact NE2-OE1 3.13Å; H72-E76 IonicContact NE2-OE2 3.67Å; H72-E76 WeakPolarHBondContact O-CG 3.38Å; H72-E76 PolarHBondContact O-N 3.07Å; E76-L79 PolarHBondContact O-N 3.36Å; E76-L80 VanDerWaalsContact O-CB 3.31Å; E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 PolarHBondContact O-N 2.9Å; E76-C214 VanDerWaalsContact OE1-CA 3.28Å; E76-C214 WeakPolarHBondContact OE1-CA 3.43Å; E76-C214 VanDerWaalsContact OE1-CB 3.26Å; E76-C214 WeakPolarHBondContact OE1-CB 3.21Å; E76-C214 PolarHBondContact OE1-SG 3.14Å; E76-A217 HydrophobicContact CB-CB 4.33Å; E76-A217 HydrophobicContact CG-CB 3.46Å; E76-A217 VanDerWaalsContact CG-CB 3.46Å; E76-A246 HydrophobicContact CB-CB 4.4Å; E76-H247 IonicContact OE1-CE1 2.96Å; E76-H247 PolarHBondContact OE1-CE1 2.75Å; E76-H247 IonicContact OE1-ND1 3.87Å; E76-H247 IonicContact OE2-CE1 3.68Å; E76-H247 IonicContact OE2-ND1 3.82Å
77R96Very high96.1Very high16 Ų1626 Ų266%0.0613%0.129CC..Hα-helixtrans-63.4-45.5178.7172.752.161.5-165.10.1112.1A73 A74 H75 L80 E81 L236 C239 I241 Q244 C245A73-R77 PolarHBondContact O-N 2.98Å; A73-R77 VanDerWaalsContact O-N 3.13Å; A74-R77 PolarHBondContact O-N 2.93Å; H75-R77 VanDerWaalsContact C-N 3.31Å; H75-R77 PolarHBondContact O-N 2.86Å; R77-L80 PolarHBondContact O-N 3.47Å; R77-E81 WeakPolarHBondContact CD-OE1 3.27Å; R77-E81 PolarHBondContact O-N 3.41Å; R77-E81 VanDerWaalsContact O-N 3.11Å; R77-L236 HydrophobicContact CB-CD1 4.44Å; R77-L236 HydrophobicContact CG-CD1 4.28Å; R77-C239 HydrophobicContact CG-CB 4.27Å; R77-I241 VanDerWaalsContact CD-O 3.25Å; R77-I241 WeakPolarHBondContact CD-O 3.01Å; R77-I241 WeakPolarHBondContact CG-O 3.07Å; R77-I241 PolarHBondContact NE-O 2.67Å; R77-Q244 PolarHBondContact NE-O 2.88Å; R77-C245 PolarHBondContact NH2-O 3.49Å
78I97.5Very high96Very high12 Ų1229.1 Ų29.16%0.06215%0.146CC..Hα-helixtrans-58.2-50.5177.4-67.6158.2000110.3A74 H75 E81 C82 L232 D235 L236A74-I78 WeakPolarHBondContact O-CD1 3.47Å; A74-I78 VanDerWaalsContact O-CG1 3.32Å; A74-I78 WeakPolarHBondContact O-CG1 3.44Å; A74-I78 PolarHBondContact O-N 3.49Å; A74-I78 VanDerWaalsContact O-N 3.08Å; H75-I78 PolarHBondContact O-N 3.21Å; I78-E81 PolarHBondContact O-N 2.57Å; I78-C82 PolarHBondContact O-N 3.45Å; I78-C82 PolarHBondContact O-SG 2.79Å; I78-L232 HydrophobicContact CD1-CD1 3.53Å; I78-L232 HydrophobicContact CD1-CG 4.14Å; I78-L232 WeakPolarHBondContact CD1-O 3.4Å; I78-D235 HydrophobicContact CD1-CB 3.71Å; I78-D235 HydrophobicContact CG1-CB 4.08Å; I78-D235 HydrophobicContact CG2-CB 4.07Å; I78-L236 HydrophobicContact CD1-CB 4.08Å; I78-L236 HydrophobicContact CG1-CB 4.38Å; I78-L236 HydrophobicContact CG1-CD1 4.35Å
79L96.6Very high95.8Very high24 Ų2432 Ų3213%0.12616%0.16CC..Hα-helixtrans-63.4-43.7-179.1-69.9172.8000111.9H75 E76 E81 C82 F83 A213 Q216 A217H75-L79 WeakPolarHBondContact O-CB 3.45Å; H75-L79 VanDerWaalsContact O-CG 3.29Å; H75-L79 WeakPolarHBondContact O-CG 3.28Å; H75-L79 PolarHBondContact O-N 2.73Å; E76-L79 PolarHBondContact O-N 3.36Å; L79-E81 PolarHBondContact O-N 2.85Å; L79-C82 WeakPolarHBondContact O-CB 3.4Å; L79-C82 PolarHBondContact O-N 3.35Å; L79-F83 HydrophobicContact CB-CD2 4.48Å; L79-F83 HydrophobicContact CB-CE2 3.88Å; L79-F83 HydrophobicContact CB-CZ 4.12Å; L79-F83 HydrophobicContact CD2-CZ 4.1Å; L79-F83 WeakPolarHBondContact O-CD2 3.4Å; L79-F83 WeakPolarHBondContact O-CG 3.47Å; L79-F83 PolarHBondContact O-N 2.99Å; L79-A213 HydrophobicContact CB-CB 3.98Å; L79-Q216 HydrophobicContact CD1-CB 3.88Å; L79-A217 HydrophobicContact CD1-CB 4.26Å
80L95.9Very high95.5Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-58.5-50178.6179.160.8000111.4E76 R77 C82 F83 E84 L209 E210 A213 A246E76-L80 VanDerWaalsContact O-CB 3.31Å; E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 PolarHBondContact O-N 2.9Å; R77-L80 PolarHBondContact O-N 3.47Å; L80-C82 VanDerWaalsContact C-N 3.32Å; L80-C82 PolarHBondContact O-N 2.96Å; L80-F83 PolarHBondContact O-N 3.46Å; L80-E84 HydrophobicContact CD1-CG 4.34Å; L80-E84 WeakPolarHBondContact O-CG 3.43Å; L80-E84 PolarHBondContact O-N 3.43Å; L80-L209 HydrophobicContact CD1-CB 3.7Å; L80-E210 HydrophobicContact CD1-CG 4.1Å; L80-E210 HydrophobicContact CD2-CG 4.19Å; L80-A213 HydrophobicContact CB-CB 4.22Å; L80-A246 HydrophobicContact CD2-CB 3.68Å
81E96.5Very high95.1Very high32 Ų3232.2 Ų32.215%0.1516%0.158CC..Hα-helixtrans-66.1-34.2179.2-70.6-165.6-160.100112.5R77 I78 L79 K85 C239 R240 I241R77-E81 WeakPolarHBondContact CD-OE1 3.27Å; R77-E81 PolarHBondContact O-N 3.41Å; R77-E81 VanDerWaalsContact O-N 3.11Å; I78-E81 PolarHBondContact O-N 2.57Å; L79-E81 PolarHBondContact O-N 2.85Å; E81-K85 WeakPolarHBondContact O-CB 3.42Å; E81-K85 PolarHBondContact O-N 2.91Å; E81-C239 WeakPolarHBondContact OE1-CB 3.37Å; E81-C239 WeakPolarHBondContact OE2-CA 3.42Å; E81-R240 VanDerWaalsContact CD-N 3.3Å; E81-R240 PolarHBondContact OE1-N 3.4Å; E81-R240 PolarHBondContact OE2-N 3.32Å; E81-I241 PolarHBondContact OE1-N 3.44Å
82C97.1Very high94.7Very high61 Ų6136.3 Ų36.341%0.41218%0.177SC..Hα-helixtrans-60.7-46.8170.8-74.20000111.6I78 L79 L80 K85 E86I78-C82 PolarHBondContact O-N 3.45Å; I78-C82 PolarHBondContact O-SG 2.79Å; L79-C82 WeakPolarHBondContact O-CB 3.4Å; L79-C82 PolarHBondContact O-N 3.35Å; L80-C82 VanDerWaalsContact C-N 3.32Å; L80-C82 PolarHBondContact O-N 2.96Å; C82-K85 WeakPolarHBondContact O-CB 3.47Å; C82-K85 PolarHBondContact O-N 2.93Å; C82-E86 WeakPolarHBondContact O-CG 3.45Å; C82-E86 PolarHBondContact O-N 2.8Å
83F96.1Very high94Very high8 Ų839.5 Ų39.54%0.03519%0.194CC..Hα-helixtrans-69.2-38.1179.7-58.8-30.3000112.7L79 L80 K85 E86 C87 L209 R212 A213L79-F83 HydrophobicContact CB-CD2 4.48Å; L79-F83 HydrophobicContact CB-CE2 3.88Å; L79-F83 HydrophobicContact CB-CZ 4.12Å; L79-F83 HydrophobicContact CD2-CZ 4.1Å; L79-F83 WeakPolarHBondContact O-CD2 3.4Å; L79-F83 WeakPolarHBondContact O-CG 3.47Å; L79-F83 PolarHBondContact O-N 2.99Å; L80-F83 PolarHBondContact O-N 3.46Å; F83-K85 VanDerWaalsContact C-N 3.26Å; F83-K85 PolarHBondContact O-N 2.93Å; F83-E86 WeakPolarHBondContact O-CB 3.42Å; F83-E86 PolarHBondContact O-N 2.9Å; F83-C87 PolarHBondContact O-N 3.49Å; F83-C87 PolarHBondContact O-SG 3.14Å; F83-L209 HydrophobicContact CB-CB 4.42Å; F83-L209 HydrophobicContact CB-CD1 4.38Å; F83-L209 HydrophobicContact CB-CD2 4.2Å; F83-R212 HydrophobicContact CD2-CG 4.25Å; F83-R212 VanDerWaalsContact CE1-CZ 3.47Å; F83-R212 HydrophobicContact CE2-CB 4.24Å; F83-R212 HydrophobicContact CE2-CG 3.69Å; F83-R212 HydrophobicContact CZ-CG 4.1Å; F83-A213 HydrophobicContact CD2-CB 4.32Å; F83-A213 HydrophobicContact CE2-CB 4.13Å
84E95.7Very high92.7Very high38 Ų3840 Ų4018%0.17820%0.196CC..Hα-helixtrans-58.3-42.2172.2-74.4-176.2139.700111L80 C87 L88 H206 L209L80-E84 HydrophobicContact CD1-CG 4.34Å; L80-E84 WeakPolarHBondContact O-CG 3.43Å; L80-E84 PolarHBondContact O-N 3.43Å; E84-C87 WeakPolarHBondContact O-CB 3.21Å; E84-C87 PolarHBondContact O-N 2.98Å; E84-L88 WeakPolarHBondContact O-CB 3.38Å; E84-L88 PolarHBondContact O-N 2.89Å; E84-H206 IonicContact OE1-CD2 2.83Å; E84-H206 PolarHBondContact OE1-CD2 3.21Å; E84-H206 VanDerWaalsContact OE1-CD2 3.26Å; E84-H206 IonicContact OE1-NE2 3.47Å; E84-H206 PolarHBondContact OE1-NE2 3.36Å; E84-L209 HydrophobicContact CG-CD1 4.11Å
85K95.5Very high91Very high136 Ų13640.4 Ų40.459%0.59120%0.199SC*.Hα-helixtrans-66.6-40.6176.3-172.2178.9-178.7-179.50112.3E81 C82 F83 C87 L88 N89E81-K85 WeakPolarHBondContact O-CB 3.42Å; E81-K85 PolarHBondContact O-N 2.91Å; C82-K85 WeakPolarHBondContact O-CB 3.47Å; C82-K85 PolarHBondContact O-N 2.93Å; F83-K85 VanDerWaalsContact C-N 3.26Å; F83-K85 PolarHBondContact O-N 2.93Å; K85-C87 VanDerWaalsContact C-N 3.34Å; K85-L88 PolarHBondContact O-N 3.19Å; K85-N89 WeakPolarHBondContact O-CB 3.44Å; K85-N89 PolarHBondContact O-N 3.07Å; K85-N89 PolarHBondContact O-ND2 3.41Å
86E94.7Very high89.3Confident89 Ų8943.4 Ų43.442%0.41622%0.217SC..Hα-helixtrans-58.8-46172.9-73.5174-168.900111.3C82 F83 Y90 V164 R212C82-E86 WeakPolarHBondContact O-CG 3.45Å; C82-E86 PolarHBondContact O-N 2.8Å; F83-E86 WeakPolarHBondContact O-CB 3.42Å; F83-E86 PolarHBondContact O-N 2.9Å; E86-Y90 WeakPolarHBondContact O-CB 3.37Å; E86-Y90 PolarHBondContact O-N 2.81Å; E86-V164 HydrophobicContact CB-CG2 4.14Å; E86-R212 IonicContact OE2-NH1 3.61Å
87C94.8Very high87.6Confident1 Ų147.3 Ų47.31%0.00723%0.234CC..Hα-helixtrans-60.7-47.9175.4-75.70000111.9F83 E84 K85 Y90 F91 V164 I202F83-C87 PolarHBondContact O-N 3.49Å; F83-C87 PolarHBondContact O-SG 3.14Å; E84-C87 WeakPolarHBondContact O-CB 3.21Å; E84-C87 PolarHBondContact O-N 2.98Å; K85-C87 VanDerWaalsContact C-N 3.34Å; C87-Y90 WeakPolarHBondContact O-CB 3.38Å; C87-Y90 PolarHBondContact O-N 3.24Å; C87-F91 HydrophobicContact CB-CD2 4.45Å; C87-F91 HydrophobicContact CB-CE2 4.49Å; C87-F91 WeakPolarHBondContact O-CD2 3.21Å; C87-F91 PolarHBondContact O-N 3.07Å; C87-V164 HydrophobicContact CB-CG2 4.37Å; C87-I202 HydrophobicContact CB-CG1 4.19Å
88L93.1Very high85.7Confident66 Ų6647.3 Ų47.335%0.34624%0.237SC..Hα-helixtrans-58.6-51.6179.2-175.464.2000111.3E84 K85 Y90 F91 E92 I198 I202E84-L88 WeakPolarHBondContact O-CB 3.38Å; E84-L88 PolarHBondContact O-N 2.89Å; K85-L88 PolarHBondContact O-N 3.19Å; L88-Y90 VanDerWaalsContact C-N 3.29Å; L88-Y90 PolarHBondContact O-N 3.45Å; L88-F91 PolarHBondContact O-N 3.28Å; L88-E92 HydrophobicContact CD1-CG 4.02Å; L88-E92 WeakPolarHBondContact CD1-OE1 3.22Å; L88-E92 HydrophobicContact CG-CG 4.33Å; L88-E92 WeakPolarHBondContact O-CB 3.44Å; L88-E92 WeakPolarHBondContact O-CG 3.22Å; L88-E92 PolarHBondContact O-N 3.31Å; L88-I198 HydrophobicContact CD1-CG2 4.06Å; L88-I202 HydrophobicContact CB-CD1 3.97Å; L88-I202 HydrophobicContact CD1-CD1 3.67Å; L88-I202 HydrophobicContact CG-CD1 4.46Å
89N91.3Very high83.9Confident73 Ų7352.5 Ų52.539%0.3926%0.264SS..Hα-helixtrans-57.5-43.6177.5-69.4-16.8000111.5K85 M93K85-N89 WeakPolarHBondContact O-CB 3.44Å; K85-N89 PolarHBondContact O-N 3.07Å; K85-N89 PolarHBondContact O-ND2 3.41Å; N89-M93 VanDerWaalsContact O-CB 3.3Å; N89-M93 WeakPolarHBondContact O-CB 3.24Å; N89-M93 WeakPolarHBondContact O-CG 3.42Å; N89-M93 PolarHBondContact O-N 3.43Å; N89-M93 VanDerWaalsContact O-N 3.08Å
90Y90.9Very high82.2Confident37 Ų3758.9 Ų58.915%0.14529%0.292CS..Hα-helixtrans-58.7-51.5177.3179.6-78.8000111.6E86 C87 L88 M93 S94 F108 P162 V164E86-Y90 WeakPolarHBondContact O-CB 3.37Å; E86-Y90 PolarHBondContact O-N 2.81Å; C87-Y90 WeakPolarHBondContact O-CB 3.38Å; C87-Y90 PolarHBondContact O-N 3.24Å; L88-Y90 VanDerWaalsContact C-N 3.29Å; L88-Y90 PolarHBondContact O-N 3.45Å; Y90-M93 PolarHBondContact O-N 3.1Å; Y90-S94 VanDerWaalsContact O-CB 3.27Å; Y90-S94 WeakPolarHBondContact O-CB 3.48Å; Y90-S94 PolarHBondContact O-N 2.8Å; Y90-F108 HydrophobicContact CE2-CB 3.8Å; Y90-F108 WeakPolarHBondContact CE2-O 3.41Å; Y90-F108 PolarHBondContact OH-O 2.9Å; Y90-F108 VanDerWaalsContact OH-O 3.12Å; Y90-P162 HydrophobicContact CD1-CB 4.37Å; Y90-P162 HydrophobicContact CE1-CB 3.61Å; Y90-P162 HydrophobicContact CE1-CG 4.01Å; Y90-P162 HydrophobicContact CE2-CB 4.37Å; Y90-V164 HydrophobicContact CD1-CG1 3.89Å; Y90-V164 HydrophobicContact CD2-CB 4.02Å; Y90-V164 HydrophobicContact CD2-CG1 4.14Å; Y90-V164 HydrophobicContact CE1-CG1 4.49Å; Y90-V164 HydrophobicContact CG-CB 4.03Å; Y90-V164 HydrophobicContact CG-CG1 3.75Å
91F89.6Confident81Confident0 Ų063.3 Ų63.30%031%0.313CS..Hα-helixtrans-79.5-20.4-173.1-71.6-63.5000114C87 L88 P95 Y141 F143 P162 V164 I198 I201 I202 I205C87-F91 HydrophobicContact CB-CD2 4.45Å; C87-F91 HydrophobicContact CB-CE2 4.49Å; C87-F91 WeakPolarHBondContact O-CD2 3.21Å; C87-F91 PolarHBondContact O-N 3.07Å; L88-F91 PolarHBondContact O-N 3.28Å; F91-P95 WeakPolarHBondContact O-CD 3.43Å; F91-P95 WeakPolarHBondContact O-CG 3.32Å; F91-Y141 HydrophobicContact CD1-CD1 4.14Å; F91-F143 HydrophobicContact CE1-CE2 4.24Å; F91-P162 HydrophobicContact CE1-CB 4.35Å; F91-P162 HydrophobicContact CE1-CG 3.88Å; F91-P162 HydrophobicContact CZ-CB 4.13Å; F91-P162 HydrophobicContact CZ-CG 3.98Å; F91-V164 HydrophobicContact CE2-CG1 3.91Å; F91-V164 HydrophobicContact CZ-CG1 4.13Å; F91-I198 HydrophobicContact CB-CB 4.46Å; F91-I198 HydrophobicContact CB-CG1 4.23Å; F91-I198 HydrophobicContact CB-CG2 3.69Å; F91-I198 VanDerWaalsContact O-CD1 3.31Å; F91-I198 WeakPolarHBondContact O-CD1 3.1Å; F91-I201 HydrophobicContact CD1-CG2 4.3Å; F91-I201 HydrophobicContact CD2-CG2 4.15Å; F91-I201 HydrophobicContact CE1-CG2 3.85Å; F91-I201 HydrophobicContact CE2-CG2 3.71Å; F91-I201 HydrophobicContact CG-CG2 4.45Å; F91-I201 HydrophobicContact CZ-CG2 3.54Å; F91-I202 HydrophobicContact CD2-CG1 4.13Å; F91-I205 HydrophobicContact CE2-CD1 3.47Å; F91-I205 VanDerWaalsContact CE2-CD1 3.47Å; F91-I205 HydrophobicContact CZ-CD1 3.62Å
92E86.7Confident79.4Confident87 Ų8765.3 Ų65.341%0.40733%0.329SS..Hα-helixtrans-77.1-35.9168.7-72-179.1164.300111.6L88 I198L88-E92 HydrophobicContact CD1-CG 4.02Å; L88-E92 WeakPolarHBondContact CD1-OE1 3.22Å; L88-E92 HydrophobicContact CG-CG 4.33Å; L88-E92 WeakPolarHBondContact O-CB 3.44Å; L88-E92 WeakPolarHBondContact O-CG 3.22Å; L88-E92 PolarHBondContact O-N 3.31Å; E92-I198 HydrophobicContact CG-CD1 4.12Å
93M79.9Confident78.1Confident97 Ų9768 Ų6848%0.47834%0.336SS..Hα-helixtrans-77.7-34.1178.2-68.1177.776.800113.2N89 Y90 N96 K97N89-M93 VanDerWaalsContact O-CB 3.3Å; N89-M93 WeakPolarHBondContact O-CB 3.24Å; N89-M93 WeakPolarHBondContact O-CG 3.42Å; N89-M93 PolarHBondContact O-N 3.43Å; N89-M93 VanDerWaalsContact O-N 3.08Å; Y90-M93 PolarHBondContact O-N 3.1Å; M93-N96 PolarHBondContact O-N 3.45Å; M93-K97 WeakPolarHBondContact O-CB 3.42Å; M93-K97 WeakPolarHBondContact O-CG 3.47Å; M93-K97 PolarHBondContact O-N 3.39Å
94S69.8Low77Confident14 Ų1471.2 Ų71.210%0.09835%0.349CS..Hα-helixtrans-59.4-49.3-173.4-178.90000113.4Y90 N96 K97 A98 K140Y90-S94 VanDerWaalsContact O-CB 3.27Å; Y90-S94 WeakPolarHBondContact O-CB 3.48Å; Y90-S94 PolarHBondContact O-N 2.8Å; S94-N96 PolarHBondContact O-N 2.93Å; S94-K97 PolarHBondContact O-N 3.34Å; S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 3.36Å; S94-K140 CarbonylContact C-O 3.44Å; S94-K140 PolarHBondContact OG-O 3.01Å
95P60.7Low76Confident10 Ų1071.1 Ų71.17%0.06535%0.348CS..Hα-helixtrans-61.8-44.6177.6-23.133.9000112.5F91 K97 A98 I99 Y141 P193F91-P95 WeakPolarHBondContact O-CD 3.43Å; F91-P95 WeakPolarHBondContact O-CG 3.32Å; P95-K97 PolarHBondContact O-N 3.13Å; P95-A98 PolarHBondContact O-N 3.35Å; P95-I99 WeakPolarHBondContact O-CD1 3.25Å; P95-I99 VanDerWaalsContact O-CG1 3.24Å; P95-I99 WeakPolarHBondContact O-CG1 3.43Å; P95-I99 PolarHBondContact O-N 2.98Å; P95-Y141 HydrophobicContact CG-CE1 4.31Å; P95-P193 HydrophobicContact CB-CB 3.84Å; P95-P193 HydrophobicContact CB-CG 4.01Å; P95-P193 HydrophobicContact CG-CB 4.01Å
96N60.6Low75.3Confident104 Ų10471 Ų7156%0.55635%0.347SS*.Hα-helixtrans-61.8-44.7178.9-72.8-19.2000111.3M93 S94 I99 H100M93-N96 PolarHBondContact O-N 3.45Å; S94-N96 PolarHBondContact O-N 2.93Å; N96-I99 PolarHBondContact O-N 3.28Å; N96-H100 PolarHBondContact O-CD2 2.86Å; N96-H100 PolarHBondContact O-N 3.08Å
97K59.9Low74.6Confident89 Ų8972.9 Ų72.939%0.38736%0.357SS..Hα-helixtrans-69.1-37.6176.2-72.6-173175.5-174.60112.8M93 S94 P95 I99 H100 E101M93-K97 WeakPolarHBondContact O-CB 3.42Å; M93-K97 WeakPolarHBondContact O-CG 3.47Å; M93-K97 PolarHBondContact O-N 3.39Å; S94-K97 PolarHBondContact O-N 3.34Å; P95-K97 PolarHBondContact O-N 3.13Å; K97-I99 PolarHBondContact O-N 3.07Å; K97-H100 PolarHBondContact O-N 3.46Å; K97-E101 CarbonylContact O-C 3.56Å; K97-E101 PolarHBondContact O-N 3Å
98A56.8Low74Confident16 Ų1677.1 Ų77.113%0.13238%0.376CS..Hα-helixtrans-66.5-26.1178.400000112.5S94 P95 P102S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 3.36Å; P95-A98 PolarHBondContact O-N 3.35Å; A98-P102 WeakPolarHBondContact O-CA 3.46Å; A98-P102 WeakPolarHBondContact O-CG 3.5Å
99I60.4Low74Confident121 Ų12174.5 Ų74.562%0.62136%0.363SS*.Hα-helixtrans-72.1-46.8172.8-68.3161.5000110.8P95 N96 K97P95-I99 WeakPolarHBondContact O-CD1 3.25Å; P95-I99 VanDerWaalsContact O-CG1 3.24Å; P95-I99 WeakPolarHBondContact O-CG1 3.43Å; P95-I99 PolarHBondContact O-N 2.98Å; N96-I99 PolarHBondContact O-N 3.28Å; K97-I99 PolarHBondContact O-N 3.07Å
100H61.4Low74.1Confident157 Ų15773.5 Ų73.573%0.72736%0.357SS*.Hα-helixtrans-80.4-36.2-175.6-69.9-64.4000113.5N96 K97N96-H100 PolarHBondContact O-CD2 2.86Å; N96-H100 PolarHBondContact O-N 3.08Å; K97-H100 PolarHBondContact O-N 3.46Å
101E68.7Low74.3Confident93 Ų9380.4 Ų80.444%0.43539%0.388SS..  trans-14375.5-175.1-59177.6146.100110.9K97 Q103 F104K97-E101 CarbonylContact O-C 3.56Å; K97-E101 PolarHBondContact O-N 3Å; E101-Q103 PolarHBondContact O-N 2.85Å; E101-F104 HydrophobicContact CB-CD2 3.35Å; E101-F104 HydrophobicContact CB-CE2 3.82Å; E101-F104 HydrophobicContact CB-CG 4.43Å; E101-F104 HydrophobicContact CG-CD2 4Å; E101-F104 HydrophobicContact CG-CE2 4.03Å; E101-F104 PolarHBondContact O-N 3.28Å; E101-F104 VanDerWaalsContact O-N 3.09Å; E101-F104 WeakPolarHBondContact OE2-CD2 3.42Å; E101-F104 WeakPolarHBondContact OE2-CE2 3.39Å
102P63.9Low74.6Confident74 Ų7481.8 Ų81.848%0.48140%0.396SS..THydrogen-bonded Turntrans-57.2-18.5-176.1-20.929.2000114.4A98 W105A98-P102 WeakPolarHBondContact O-CA 3.46Å; A98-P102 WeakPolarHBondContact O-CG 3.5Å; P102-W105 PolarHBondContact O-NE1 3.09Å
103Q69.7Low75Confident119 Ų11982.9 Ų82.956%0.55641%0.413SS*.THydrogen-bonded Turntrans-74.1-24.1179.359-8515.800113.9E101E101-Q103 PolarHBondContact O-N 2.85Å
104F72.1Confident75.8Confident74 Ų7479.2 Ų79.233%0.32540%0.395SS..G310 helixtrans-89.5-9.9-168.8-68.2-54.9000115.5E101 K106 M107 F108E101-F104 HydrophobicContact CB-CD2 3.35Å; E101-F104 HydrophobicContact CB-CE2 3.82Å; E101-F104 HydrophobicContact CB-CG 4.43Å; E101-F104 HydrophobicContact CG-CD2 4Å; E101-F104 HydrophobicContact CG-CE2 4.03Å; E101-F104 PolarHBondContact O-N 3.28Å; E101-F104 VanDerWaalsContact O-N 3.09Å; E101-F104 WeakPolarHBondContact OE2-CD2 3.42Å; E101-F104 WeakPolarHBondContact OE2-CE2 3.39Å; F104-K106 PolarHBondContact O-N 3.4Å; F104-K106 VanDerWaalsContact O-N 3.09Å; F104-M107 HydrophobicContact CD1-CG 4.32Å; F104-M107 HydrophobicContact CD1-SD 3.36Å; F104-M107 WeakPolarHBondContact CD1-SD 3.45Å; F104-M107 HydrophobicContact CE1-SD 3.93Å; F104-M107 HydrophobicContact CG-SD 4.29Å; F104-M107 WeakPolarHBondContact O-CB 3.46Å; F104-M107 PolarHBondContact O-N 2.74Å; F104-F108 WeakPolarHBondContact O-CD2 3.25Å
105W76.2Confident77Confident37 Ų3784 Ų8414%0.1441%0.414CS..G310 helixtrans-56.3-33.3178.869.7-102.5000111.6P102 M107 F108 S109 M160P102-W105 PolarHBondContact O-NE1 3.09Å; W105-M107 PolarHBondContact O-N 2.82Å; W105-F108 PolarHBondContact O-N 3.28Å; W105-F108 VanDerWaalsContact O-N 3.07Å; W105-S109 PolarHBondContact O-N 2.91Å; W105-S109 PolarHBondContact O-OG 3.13Å; W105-M160 HydrophobicContact CH2-CB 4.38Å; W105-M160 HydrophobicContact CH2-CG 4.03Å; W105-M160 HydrophobicContact CZ3-CB 3.9Å; W105-M160 HydrophobicContact CZ3-CG 3.92Å
106K79.6Confident78.7Confident134 Ų13483.8 Ų83.858%0.58341%0.412SS*.G310 helixtrans-60.2-27.9176.6-68.2-179-179.51750113.6F104 F108 S109F104-K106 PolarHBondContact O-N 3.4Å; F104-K106 VanDerWaalsContact O-N 3.09Å; K106-F108 VanDerWaalsContact C-N 3.26Å; K106-F108 PolarHBondContact O-N 2.95Å; K106-S109 PolarHBondContact O-N 3.07Å
107M81.2Confident80.3Confident127 Ų12780.2 Ų80.263%0.62640%0.395SS*.G310 helixtrans-70.8-23.9178-66.6-177.164.900112.9F104 W105F104-M107 HydrophobicContact CD1-CG 4.32Å; F104-M107 HydrophobicContact CD1-SD 3.36Å; F104-M107 WeakPolarHBondContact CD1-SD 3.45Å; F104-M107 HydrophobicContact CE1-SD 3.93Å; F104-M107 HydrophobicContact CG-SD 4.29Å; F104-M107 WeakPolarHBondContact O-CB 3.46Å; F104-M107 PolarHBondContact O-N 2.74Å; W105-M107 PolarHBondContact O-N 2.82Å
108F82.6Confident82Confident91 Ų9179.2 Ų79.240%0.39939%0.391SS..G310 helixtrans-105.87.7-178.2-55-74.4000112.4Y90 F104 W105 K106 R163Y90-F108 HydrophobicContact CE2-CB 3.8Å; Y90-F108 WeakPolarHBondContact CE2-O 3.41Å; Y90-F108 PolarHBondContact OH-O 2.9Å; Y90-F108 VanDerWaalsContact OH-O 3.12Å; F104-F108 WeakPolarHBondContact O-CD2 3.25Å; W105-F108 PolarHBondContact O-N 3.28Å; W105-F108 VanDerWaalsContact O-N 3.07Å; K106-F108 VanDerWaalsContact C-N 3.26Å; K106-F108 PolarHBondContact O-N 2.95Å; F108-R163 WeakPolarHBondContact O-CB 3.31Å; F108-R163 PolarHBondContact O-N 2.87Å
109S91.4Very high83.7Confident10 Ų1084.9 Ų84.97%0.0742%0.415CS..EExtended strand (participates in β ladder)trans-115.7147.7178.1-62.50000111.1W105 K106 G142 M160 I161W105-S109 PolarHBondContact O-N 2.91Å; W105-S109 PolarHBondContact O-OG 3.13Å; K106-S109 PolarHBondContact O-N 3.07Å; S109-G142 WeakPolarHBondContact CB-O 3.4Å; S109-G142 WeakPolarHBondContact OG-CA 3.41Å; S109-G142 PolarHBondContact OG-O 3.42Å; S109-M160 WeakPolarHBondContact O-CE 3.19Å; S109-I161 CarbonylContact C-O 3.26Å; S109-I161 WeakPolarHBondContact CA-O 3.36Å; S109-I161 WeakPolarHBondContact CB-O 3.18Å
110N94.4Very high85.3Confident52 Ų5281.8 Ų81.828%0.27840%0.404SS..EExtended strand (participates in β ladder)trans-99.6139.1172.5-69.6-18.3000109.9M160 I161 Q167N110-M160 WeakPolarHBondContact O-CA 3.15Å; N110-I161 PolarHBondContact N-O 3.26Å; N110-I161 PolarHBondContact O-N 3.31Å; N110-Q167 VanDerWaalsContact CB-NE2 3.27Å; N110-Q167 PolarHBondContact ND2-NE2 2.79Å
111K95.1Very high86.9Confident182 Ų18274.3 Ų74.379%0.79137%0.369SS*.EExtended strand (participates in β ladder)trans-67135.3169.9-76178.1179.2-176.10110T159 M160K111-T159 WeakPolarHBondContact CA-O 3.31Å; K111-M160 VanDerWaalsContact CA-SD 3.58Å; K111-M160 HydrophobicContact CB-SD 4.02Å; K111-M160 HydrophobicContact CG-CE 4Å; K111-M160 HydrophobicContact CG-SD 3.31Å; K111-M160 WeakPolarHBondContact CG-SD 3.46Å
112I95.7Very high88.2Confident30 Ų3072.7 Ų72.715%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-141.5171.6172.265.4158000110.1L114 I158 T159 I161 F175I112-L114 HydrophobicContact CD1-CB 3.93Å; I112-I158 HydrophobicContact CD1-CB 4.28Å; I112-I158 HydrophobicContact CD1-CG2 3.93Å; I112-I158 HydrophobicContact CG1-CG2 4.41Å; I112-T159 PolarHBondContact N-O 3.03Å; I112-T159 CarbonylContact O-C 3.45Å; I112-T159 VanDerWaalsContact O-CA 3.3Å; I112-T159 WeakPolarHBondContact O-CA 3.04Å; I112-I161 HydrophobicContact CD1-CB 4.38Å; I112-I161 HydrophobicContact CD1-CD1 4.41Å; I112-I161 HydrophobicContact CD1-CG1 4.13Å; I112-I161 HydrophobicContact CD1-CG2 3.41Å; I112-I161 VanDerWaalsContact CD1-CG2 3.41Å; I112-I161 HydrophobicContact CG1-CG1 4.29Å; I112-I161 HydrophobicContact CG1-CG2 4.06Å; I112-I161 HydrophobicContact CG2-CD1 4.05Å; I112-I161 HydrophobicContact CG2-CG1 3.79Å; I112-F175 HydrophobicContact CD1-CE1 4.42Å; I112-F175 HydrophobicContact CD1-CZ 4.33Å
113S95.2Very high89.7Confident110 Ų11072.1 Ų72.177%0.76936%0.36SS*.EExtended strand (participates in β ladder)trans-13491.5168.3173.80000108.7
114L96.4Very high90.9Very high19 Ų1966.4 Ų66.410%0.09933%0.333CS..EExtended strand (participates in β ladder)trans-113118.1176.1173.266.5000109.8I112 L116 F157 I158 S176 I179I112-L114 HydrophobicContact CD1-CB 3.93Å; L114-L116 HydrophobicContact CD1-CD2 4.28Å; L114-L116 HydrophobicContact CD2-CD2 4.03Å; L114-L116 HydrophobicContact CG-CD2 3.88Å; L114-L116 HydrophobicContact CG-CG 4.46Å; L114-F157 WeakPolarHBondContact O-CA 3.04Å; L114-I158 HydrophobicContact CB-CB 4.17Å; L114-I158 HydrophobicContact CD2-CG1 4.35Å; L114-I158 PolarHBondContact N-O 2.9Å; L114-I158 PolarHBondContact O-N 3.35Å; L114-S176 VanDerWaalsContact CD1-OG 3.28Å; L114-S176 WeakPolarHBondContact CD1-OG 3.34Å; L114-I179 HydrophobicContact CD2-CB 3.79Å; L114-I179 HydrophobicContact CD2-CG1 4.12Å; L114-I179 HydrophobicContact CD2-CG2 3.78Å
115K95.1Very high92.1Very high115 Ų11562.9 Ų62.950%0.532%0.318SS..EExtended strand (participates in β ladder)trans-94.9121-178.7-177.8177178.21770110.1F155 F157K115-F155 HydrophobicContact CD-CD1 4.04Å; K115-F155 HydrophobicContact CD-CE1 4.27Å; K115-F155 HydrophobicContact CD-CG 4.33Å; K115-F155 VanDerWaalsContact CE-CD2 3.48Å; K115-F155 VanDerWaalsContact CE-CE2 3.44Å; K115-F155 HydrophobicContact CG-CB 4.29Å; K115-F155 HydrophobicContact CG-CD1 3.7Å; K115-F155 HydrophobicContact CG-CE1 4.33Å; K115-F155 HydrophobicContact CG-CG 4.06Å; K115-F157 HydrophobicContact CB-CD1 4.04Å; K115-F157 HydrophobicContact CB-CE1 3.85Å; K115-F157 HydrophobicContact CD-CE1 3.76Å; K115-F157 HydrophobicContact CD-CZ 4.11Å; K115-F157 HydrophobicContact CG-CD1 4.15Å; K115-F157 HydrophobicContact CG-CE1 3.6Å; K115-F157 HydrophobicContact CG-CZ 4.11Å
116L95.6Very high93Very high6 Ų665.2 Ų65.23%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-112.7117.3176.9-52.3-179.3000108.8L114 V121 F155 I156 I158 I180L114-L116 HydrophobicContact CD1-CD2 4.28Å; L114-L116 HydrophobicContact CD2-CD2 4.03Å; L114-L116 HydrophobicContact CG-CD2 3.88Å; L114-L116 HydrophobicContact CG-CG 4.46Å; L116-V121 HydrophobicContact CB-CG2 3.87Å; L116-F155 CarbonylContact O-C 3.59Å; L116-F155 WeakPolarHBondContact O-CA 3.33Å; L116-I156 HydrophobicContact CB-CB 4.35Å; L116-I156 WeakPolarHBondContact CB-O 3.37Å; L116-I156 PolarHBondContact N-O 3.05Å; L116-I156 PolarHBondContact O-N 3.46Å; L116-I158 HydrophobicContact CD1-CD1 3.95Å; L116-I158 HydrophobicContact CD1-CG1 3.85Å; L116-I158 HydrophobicContact CG-CG1 4.29Å; L116-I180 HydrophobicContact CD1-CG1 3.92Å; L116-I180 HydrophobicContact CD2-CD1 3.86Å; L116-I180 HydrophobicContact CD2-CG1 3.67Å; L116-I180 HydrophobicContact CG-CG1 4.44Å
117S94.4Very high93.7Very high28 Ų2860.3 Ų60.320%0.19631%0.313CS..EExtended strand (participates in β ladder)trans-77.4152.5176.786.20000111.4E119 S120 V121S117-E119 WeakPolarHBondContact CB-OE2 3.29Å; S117-E119 PolarHBondContact O-N 3.05Å; S117-E119 PolarHBondContact OG-N 3.49Å; S117-E119 PolarHBondContact OG-OE2 2.88Å; S117-S120 PolarHBondContact N-OG 3.43Å; S117-S120 PolarHBondContact O-N 3.31Å; S117-S120 PolarHBondContact O-OG 2.88Å; S117-S120 PolarHBondContact OG-N 3.46Å; S117-V121 WeakPolarHBondContact O-CG2 3.38Å; S117-V121 PolarHBondContact O-N 2.92Å
118K95.2Very high94.3Very high69 Ų6954.2 Ų54.230%0.328%0.283SS..THydrogen-bonded Turntrans-52.9-37.1174.1177.8177.7-177.1-178.70112.4S120 V121 P122 F125 Q154K118-S120 VanDerWaalsContact C-N 3.28Å; K118-S120 PolarHBondContact O-N 3.11Å; K118-V121 CarbonylContact O-C 3.36Å; K118-V121 PolarHBondContact O-N 2.75Å; K118-P122 WeakPolarHBondContact O-CA 3.26Å; K118-P122 WeakPolarHBondContact O-CB 3.48Å; K118-P122 WeakPolarHBondContact O-CD 3.28Å; K118-F125 HydrophobicContact CB-CB 4.33Å; K118-F125 HydrophobicContact CB-CD1 4.11Å; K118-F125 HydrophobicContact CB-CD2 3.95Å; K118-F125 HydrophobicContact CB-CE2 4.39Å; K118-F125 HydrophobicContact CB-CG 3.84Å; K118-F125 HydrophobicContact CD-CD1 3.68Å; K118-F125 HydrophobicContact CD-CE1 3.83Å; K118-F125 HydrophobicContact CD-CG 4.26Å; K118-F125 HydrophobicContact CG-CB 4.1Å; K118-F125 HydrophobicContact CG-CD1 3.63Å; K118-F125 HydrophobicContact CG-CD2 4.36Å; K118-F125 HydrophobicContact CG-CE1 4.23Å; K118-F125 HydrophobicContact CG-CG 3.74Å; K118-Q154 HydrophobicContact CB-CB 4.23Å; K118-Q154 WeakPolarHBondContact CB-O 3.12Å; K118-Q154 HydrophobicContact CD-CB 4.3Å; K118-Q154 VanDerWaalsContact CD-OE1 3.27Å; K118-Q154 PolarHBondContact N-O 3.17Å
119E93Very high94.9Very high134 Ų13453.5 Ų53.563%0.62628%0.283SS*.THydrogen-bonded Turntrans-66.1-32.4179-54.871-148.300111.9S117S117-E119 WeakPolarHBondContact CB-OE2 3.29Å; S117-E119 PolarHBondContact O-N 3.05Å; S117-E119 PolarHBondContact OG-N 3.49Å; S117-E119 PolarHBondContact OG-OE2 2.88Å
120S93.4Very high95.1Very high56 Ų5662.5 Ų62.539%0.39232%0.316SS..THydrogen-bonded Turntrans-77.8-29.5179.672.60000113.6S117 K118S117-S120 PolarHBondContact N-OG 3.43Å; S117-S120 PolarHBondContact O-N 3.31Å; S117-S120 PolarHBondContact O-OG 2.88Å; S117-S120 PolarHBondContact OG-N 3.46Å; K118-S120 VanDerWaalsContact C-N 3.28Å; K118-S120 PolarHBondContact O-N 3.11Å
121V95.6Very high95Very high0 Ų063.3 Ų63.30%032%0.317CS..  trans-139.557.1-175.7-68.10000112.1L116 S117 K118 D123 I124 F125 I156 I180L116-V121 HydrophobicContact CB-CG2 3.87Å; S117-V121 WeakPolarHBondContact O-CG2 3.38Å; S117-V121 PolarHBondContact O-N 2.92Å; K118-V121 CarbonylContact O-C 3.36Å; K118-V121 PolarHBondContact O-N 2.75Å; V121-D123 VanDerWaalsContact C-N 3.28Å; V121-D123 PolarHBondContact O-N 3.15Å; V121-I124 HydrophobicContact CB-CB 4.17Å; V121-I124 HydrophobicContact CB-CD1 3.9Å; V121-I124 HydrophobicContact CB-CG1 4.28Å; V121-I124 HydrophobicContact CG1-CD1 3.9Å; V121-I124 PolarHBondContact O-N 3.06Å; V121-F125 WeakPolarHBondContact O-CB 3.31Å; V121-F125 PolarHBondContact O-N 3.26Å; V121-I156 HydrophobicContact CG2-CD1 4.42Å; V121-I180 HydrophobicContact CG1-CB 4.39Å; V121-I180 HydrophobicContact CG1-CD1 4.08Å; V121-I180 HydrophobicContact CG1-CG1 3.95Å; V121-I180 HydrophobicContact CG1-CG2 3.55Å
122P95.7Very high94.9Very high60 Ų6058.2 Ų58.239%0.3930%0.303SS..Hα-helixtrans-63.5-35.8-171.525-34.6000112.5K118 N126K118-P122 WeakPolarHBondContact O-CA 3.26Å; K118-P122 WeakPolarHBondContact O-CB 3.48Å; K118-P122 WeakPolarHBondContact O-CD 3.28Å; P122-N126 VanDerWaalsContact O-CB 3.24Å; P122-N126 WeakPolarHBondContact O-CB 3.48Å; P122-N126 PolarHBondContact O-N 3.41Å; P122-N126 PolarHBondContact O-ND2 3.46Å; P122-N126 VanDerWaalsContact O-ND2 3.11Å
123D95.7Very high94.7Very high61 Ų6160.5 Ų60.533%0.32633%0.327SS..Hα-helixtrans-58.8-51.9175.356.8-36.3000111.8V121 L127 R184V121-D123 VanDerWaalsContact C-N 3.28Å; V121-D123 PolarHBondContact O-N 3.15Å; D123-L127 WeakPolarHBondContact O-CB 3.36Å; D123-L127 PolarHBondContact O-N 3.25Å; D123-R184 IonicContact OD1-CZ 3.26Å; D123-R184 IonicContact OD1-NE 3.13Å; D123-R184 PolarHBondContact OD1-NE 2.83Å; D123-R184 IonicContact OD1-NH2 3.86Å; D123-R184 PolarHBondContact OD1-NH2 2.78Å; D123-R184 IonicContact OD2-CZ 3.48Å; D123-R184 IonicContact OD2-NE 3.76Å; D123-R184 PolarHBondContact OD2-NE 3.48Å; D123-R184 IonicContact OD2-NH2 3.46Å
124I95.6Very high94.6Very high0 Ų058.1 Ų58.10%030%0.303CS..Hα-helixtrans-69.3-44179.9-54.5171.6000110.6V121 L127 V128 I156 I180 I183 R184 L187V121-I124 HydrophobicContact CB-CB 4.17Å; V121-I124 HydrophobicContact CB-CD1 3.9Å; V121-I124 HydrophobicContact CB-CG1 4.28Å; V121-I124 HydrophobicContact CG1-CD1 3.9Å; V121-I124 PolarHBondContact O-N 3.06Å; I124-L127 WeakPolarHBondContact O-CB 3.42Å; I124-L127 PolarHBondContact O-N 2.83Å; I124-V128 HydrophobicContact CG2-CG2 4.25Å; I124-V128 WeakPolarHBondContact O-CG2 3.49Å; I124-V128 PolarHBondContact O-N 2.78Å; I124-I156 HydrophobicContact CB-CD1 4.37Å; I124-I156 HydrophobicContact CG2-CD1 3.76Å; I124-I180 HydrophobicContact CD1-CG2 4.33Å; I124-I183 HydrophobicContact CD1-CG2 4.13Å; I124-I183 HydrophobicContact CG2-CG2 4.07Å; I124-R184 HydrophobicContact CD1-CB 4.34Å; I124-R184 HydrophobicContact CD1-CG 3.24Å; I124-R184 HydrophobicContact CG1-CG 3.61Å; I124-L187 HydrophobicContact CG2-CD1 3.51Å
125F96.1Very high94.4Very high0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-60.2-51.7-178.2-173.4-81.2000110.9K118 V121 L127 V128 N129 L147 Q154 I156K118-F125 HydrophobicContact CB-CB 4.33Å; K118-F125 HydrophobicContact CB-CD1 4.11Å; K118-F125 HydrophobicContact CB-CD2 3.95Å; K118-F125 HydrophobicContact CB-CE2 4.39Å; K118-F125 HydrophobicContact CB-CG 3.84Å; K118-F125 HydrophobicContact CD-CD1 3.68Å; K118-F125 HydrophobicContact CD-CE1 3.83Å; K118-F125 HydrophobicContact CD-CG 4.26Å; K118-F125 HydrophobicContact CG-CB 4.1Å; K118-F125 HydrophobicContact CG-CD1 3.63Å; K118-F125 HydrophobicContact CG-CD2 4.36Å; K118-F125 HydrophobicContact CG-CE1 4.23Å; K118-F125 HydrophobicContact CG-CG 3.74Å; V121-F125 WeakPolarHBondContact O-CB 3.31Å; V121-F125 PolarHBondContact O-N 3.26Å; F125-L127 VanDerWaalsContact C-N 3.28Å; F125-L127 PolarHBondContact O-N 3.11Å; F125-V128 PolarHBondContact O-N 2.89Å; F125-N129 HydrophobicContact CD1-CB 4.31Å; F125-N129 HydrophobicContact CE1-CB 3.98Å; F125-N129 WeakPolarHBondContact O-CB 3.49Å; F125-N129 PolarHBondContact O-N 3.39Å; F125-L147 HydrophobicContact CD2-CD1 4.02Å; F125-L147 HydrophobicContact CE2-CD1 3.48Å; F125-L147 VanDerWaalsContact CE2-CD1 3.48Å; F125-L147 HydrophobicContact CZ-CD1 3.89Å; F125-Q154 HydrophobicContact CE1-CB 4.27Å; F125-Q154 HydrophobicContact CE2-CB 3.81Å; F125-Q154 HydrophobicContact CZ-CB 3.55Å; F125-Q154 HydrophobicContact CZ-CG 4.23Å; F125-I156 HydrophobicContact CB-CD1 4.33Å; F125-I156 HydrophobicContact CD2-CD1 4.32Å; F125-I156 HydrophobicContact CD2-CG1 4.03Å
126N95.2Very high94.2Very high85 Ų8557.1 Ų57.146%0.45531%0.308SS..Hα-helixtrans-62.2-38.1-179.2-68.5-22.2000111.7P122 R130P122-N126 VanDerWaalsContact O-CB 3.24Å; P122-N126 WeakPolarHBondContact O-CB 3.48Å; P122-N126 PolarHBondContact O-N 3.41Å; P122-N126 PolarHBondContact O-ND2 3.46Å; P122-N126 VanDerWaalsContact O-ND2 3.11Å; N126-R130 WeakPolarHBondContact O-CB 3.4Å; N126-R130 PolarHBondContact O-N 2.81Å; N126-R130 VanDerWaalsContact O-N 3.09Å
127L94.8Very high93.8Very high31 Ų3158.2 Ų58.216%0.16232%0.316CS..Hα-helixtrans-61.6-52.4175.6178.565.5000112D123 I124 F125 N129 R130 E131 K134 L187 L188D123-L127 WeakPolarHBondContact O-CB 3.36Å; D123-L127 PolarHBondContact O-N 3.25Å; I124-L127 WeakPolarHBondContact O-CB 3.42Å; I124-L127 PolarHBondContact O-N 2.83Å; F125-L127 VanDerWaalsContact C-N 3.28Å; F125-L127 PolarHBondContact O-N 3.11Å; L127-N129 VanDerWaalsContact C-N 3.35Å; L127-R130 PolarHBondContact O-N 3.43Å; L127-E131 PolarHBondContact O-N 3.36Å; L127-K134 HydrophobicContact CD1-CD 3.98Å; L127-K134 HydrophobicContact CD2-CD 4.27Å; L127-K134 HydrophobicContact CG-CD 4.06Å; L127-L187 HydrophobicContact CD2-CB 4.18Å; L127-L188 HydrophobicContact CD2-CD2 3.72Å
128V94.8Very high93.7Very high0 Ų056.9 Ų56.90%031%0.307CS..Hα-helixtrans-70.6-33.3-177.1171.60000111.5I124 F125 R130 E131 P132 L135 L147 L187I124-V128 HydrophobicContact CG2-CG2 4.25Å; I124-V128 WeakPolarHBondContact O-CG2 3.49Å; I124-V128 PolarHBondContact O-N 2.78Å; F125-V128 PolarHBondContact O-N 2.89Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 3.39Å; V128-E131 CarbonylContact O-C 3.24Å; V128-E131 VanDerWaalsContact O-C 3.24Å; V128-E131 PolarHBondContact O-N 3.26Å; V128-P132 WeakPolarHBondContact O-CA 3.38Å; V128-P132 WeakPolarHBondContact O-CD 3.32Å; V128-P132 WeakPolarHBondContact O-CG 3.46Å; V128-L135 HydrophobicContact CG1-CD1 3.66Å; V128-L135 HydrophobicContact CG1-CD2 3.71Å; V128-L135 HydrophobicContact CG1-CG 3.52Å; V128-L135 HydrophobicContact CG2-CD2 3.94Å; V128-L135 HydrophobicContact CG2-CG 4.38Å; V128-L147 HydrophobicContact CG1-CB 4.47Å; V128-L147 HydrophobicContact CG1-CD1 4.33Å; V128-L147 HydrophobicContact CG1-CD2 4.34Å; V128-L187 HydrophobicContact CG2-CD1 3.7Å
129N94.4Very high93.5Very high76 Ų7655.2 Ų55.241%0.40630%0.304SS..Hα-helixtrans-66.2-34.8174.9-169.369.6000111.8F125 L127 L147F125-N129 HydrophobicContact CD1-CB 4.31Å; F125-N129 HydrophobicContact CE1-CB 3.98Å; F125-N129 WeakPolarHBondContact O-CB 3.49Å; F125-N129 PolarHBondContact O-N 3.39Å; L127-N129 VanDerWaalsContact C-N 3.35Å; N129-L147 HydrophobicContact CB-CD2 4.33Å
130R95Very high93.2Very high199 Ų19952.1 Ų52.175%0.75129%0.288SS*.Hα-helixtrans-76.3-39.2174-175-173.2172.1-149.5-0.4112.6N126 L127 V128N126-R130 WeakPolarHBondContact O-CB 3.4Å; N126-R130 PolarHBondContact O-N 2.81Å; N126-R130 VanDerWaalsContact O-N 3.09Å; L127-R130 PolarHBondContact O-N 3.43Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 3.39Å
131E93.6Very high93Very high68 Ų6849.9 Ų49.932%0.31827%0.271SS..  trans-130.773.6-176.1-63.8175.2-108.100111.2L127 V128 A133 K134L127-E131 PolarHBondContact O-N 3.36Å; V128-E131 CarbonylContact O-C 3.24Å; V128-E131 VanDerWaalsContact O-C 3.24Å; V128-E131 PolarHBondContact O-N 3.26Å; E131-A133 PolarHBondContact O-N 3.08Å; E131-A133 VanDerWaalsContact O-N 3.07Å; E131-K134 HydrophobicContact CB-CD 4.04Å; E131-K134 HydrophobicContact CB-CG 4.15Å; E131-K134 WeakPolarHBondContact O-CB 3.45Å; E131-K134 PolarHBondContact O-N 3.12Å; E131-K134 IonicContact OE1-NZ 2.84Å; E131-K134 PolarHBondContact OE1-NZ 3.49Å; E131-K134 WeakPolarHBondContact OE2-CE 3.44Å; E131-K134 IonicContact OE2-NZ 2.88Å; E131-K134 PolarHBondContact OE2-NZ 3.46Å
132P93.2Very high92.9Very high75 Ų7549.9 Ų49.949%0.48727%0.271SS..G310 helixtrans-58.9-28-175.3-26.134.6000113.8V128 K134 L135V128-P132 WeakPolarHBondContact O-CA 3.38Å; V128-P132 WeakPolarHBondContact O-CD 3.32Å; V128-P132 WeakPolarHBondContact O-CG 3.46Å; P132-K134 PolarHBondContact O-N 3.48Å; P132-K134 VanDerWaalsContact O-N 3.14Å; P132-L135 WeakPolarHBondContact O-CB 3.4Å; P132-L135 PolarHBondContact O-N 3.39Å; P132-L135 VanDerWaalsContact O-N 3.09Å
133A91.7Very high92.8Very high79 Ų7947 Ų4765%0.65325%0.252SS*.G310 helixtrans-56.7-27.2175.900000112.9E131 L135 C136E131-A133 PolarHBondContact O-N 3.08Å; E131-A133 VanDerWaalsContact O-N 3.07Å; A133-L135 PolarHBondContact O-N 2.95Å; A133-L135 VanDerWaalsContact O-N 3.14Å; A133-C136 WeakPolarHBondContact O-CB 3.37Å; A133-C136 PolarHBondContact O-N 3.37Å; A133-C136 PolarHBondContact O-SG 2.92Å
134K91.7Very high92.8Very high60 Ų6045.6 Ų45.626%0.26125%0.248SC..G310 helixtrans-61.7-21.9177.6-77.6-177.6167.8158.10113.5L127 E131 P132 C136 C137 L187L127-K134 HydrophobicContact CD1-CD 3.98Å; L127-K134 HydrophobicContact CD2-CD 4.27Å; L127-K134 HydrophobicContact CG-CD 4.06Å; E131-K134 HydrophobicContact CB-CD 4.04Å; E131-K134 HydrophobicContact CB-CG 4.15Å; E131-K134 WeakPolarHBondContact O-CB 3.45Å; E131-K134 PolarHBondContact O-N 3.12Å; E131-K134 IonicContact OE1-NZ 2.84Å; E131-K134 PolarHBondContact OE1-NZ 3.49Å; E131-K134 WeakPolarHBondContact OE2-CE 3.44Å; E131-K134 IonicContact OE2-NZ 2.88Å; E131-K134 PolarHBondContact OE2-NZ 3.46Å; P132-K134 PolarHBondContact O-N 3.48Å; P132-K134 VanDerWaalsContact O-N 3.14Å; K134-C136 PolarHBondContact O-N 3.37Å; K134-C137 VanDerWaalsContact O-CB 3.28Å; K134-C137 WeakPolarHBondContact O-CB 3.39Å; K134-C137 PolarHBondContact O-N 3.25Å; K134-C137 VanDerWaalsContact O-N 3.08Å; K134-L187 HydrophobicContact CB-CD2 4.2Å; K134-L187 WeakPolarHBondContact O-CD2 3.41Å
135L93.1Very high92.8Very high30 Ų3046 Ų4616%0.15725%0.251CS..G310 helixtrans-59.3-26.8173.5-71177.6000112.7V128 P132 A133 C137 L138 A145 L147V128-L135 HydrophobicContact CG1-CD1 3.66Å; V128-L135 HydrophobicContact CG1-CD2 3.71Å; V128-L135 HydrophobicContact CG1-CG 3.52Å; V128-L135 HydrophobicContact CG2-CD2 3.94Å; V128-L135 HydrophobicContact CG2-CG 4.38Å; P132-L135 WeakPolarHBondContact O-CB 3.4Å; P132-L135 PolarHBondContact O-N 3.39Å; P132-L135 VanDerWaalsContact O-N 3.09Å; A133-L135 PolarHBondContact O-N 2.95Å; A133-L135 VanDerWaalsContact O-N 3.14Å; L135-C137 PolarHBondContact O-N 3.41Å; L135-L138 HydrophobicContact CD2-CD1 3.85Å; L135-L138 VanDerWaalsContact O-CB 3.28Å; L135-L138 WeakPolarHBondContact O-CB 3.13Å; L135-L138 WeakPolarHBondContact O-CG 3.42Å; L135-L138 PolarHBondContact O-N 2.88Å; L135-L138 VanDerWaalsContact O-N 3.17Å; L135-A145 HydrophobicContact CD2-CB 4.13Å; L135-L147 HydrophobicContact CD1-CB 4.43Å
136C89.9Confident92.8Very high82 Ų8249.4 Ų49.455%0.55427%0.272SS*.Hα-helixtrans-63.1-28.2177.680.60000112.1A133 K134 L138 S139A133-C136 WeakPolarHBondContact O-CB 3.37Å; A133-C136 PolarHBondContact O-N 3.37Å; A133-C136 PolarHBondContact O-SG 2.92Å; K134-C136 PolarHBondContact O-N 3.37Å; C136-L138 PolarHBondContact O-N 2.84Å; C136-S139 PolarHBondContact O-N 3.26Å; C136-S139 VanDerWaalsContact O-N 3.16Å; C136-S139 PolarHBondContact O-OG 3.3Å
137C88.6Confident92.8Very high29 Ų2947.7 Ų47.720%0.19626%0.262CS..Hα-helixtrans-62.5-26.6178.2-64.30000112.8K134 L135 S139 K140 I186K134-C137 VanDerWaalsContact O-CB 3.28Å; K134-C137 WeakPolarHBondContact O-CB 3.39Å; K134-C137 PolarHBondContact O-N 3.25Å; K134-C137 VanDerWaalsContact O-N 3.08Å; L135-C137 PolarHBondContact O-N 3.41Å; C137-S139 VanDerWaalsContact C-N 3.28Å; C137-S139 PolarHBondContact O-N 3.46Å; C137-K140 PolarHBondContact O-N 2.92Å; C137-I186 HydrophobicContact CB-CG2 4.27Å
138L92Very high92.7Very high1 Ų148 Ų481%0.00526%0.264CS..Hα-helixtrans-60.6-38.5176.6-65.5-178.3000112.1L135 C136 K140 Y141 G142 F143 A145 I183 I186 L187L135-L138 HydrophobicContact CD2-CD1 3.85Å; L135-L138 VanDerWaalsContact O-CB 3.28Å; L135-L138 WeakPolarHBondContact O-CB 3.13Å; L135-L138 WeakPolarHBondContact O-CG 3.42Å; L135-L138 PolarHBondContact O-N 2.88Å; L135-L138 VanDerWaalsContact O-N 3.17Å; C136-L138 PolarHBondContact O-N 2.84Å; L138-K140 VanDerWaalsContact C-N 3.26Å; L138-K140 PolarHBondContact O-N 3.45Å; L138-Y141 PolarHBondContact O-N 2.92Å; L138-G142 PolarHBondContact O-N 2.74Å; L138-F143 CarbonylContact C-O 3.42Å; L138-F143 HydrophobicContact CB-CB 3.81Å; L138-F143 HydrophobicContact CD2-CB 4.38Å; L138-F143 PolarHBondContact O-N 3.46Å; L138-A145 HydrophobicContact CD1-CB 3.69Å; L138-I183 HydrophobicContact CD1-CD1 4Å; L138-I183 HydrophobicContact CD2-CD1 3.48Å; L138-I183 VanDerWaalsContact CD2-CD1 3.48Å; L138-I183 HydrophobicContact CD2-CG2 4.36Å; L138-I183 HydrophobicContact CG-CD1 4.35Å; L138-I186 HydrophobicContact CD2-CB 4.02Å; L138-I186 HydrophobicContact CD2-CD1 4.11Å; L138-I186 HydrophobicContact CD2-CG2 3.8Å; L138-L187 HydrophobicContact CD2-CD1 4.43Å; L138-L187 HydrophobicContact CD2-CD2 4.01Å; L138-L187 HydrophobicContact CD2-CG 3.96Å; L138-L187 HydrophobicContact CG-CD2 4.08Å
139S89.8Confident92.3Very high34 Ų3450.3 Ų50.324%0.23828%0.28CS..Hα-helixtrans-64.1-30.3-175.768.50000113.2C136 C137 Y141 G142 F143C136-S139 PolarHBondContact O-N 3.26Å; C136-S139 VanDerWaalsContact O-N 3.16Å; C136-S139 PolarHBondContact O-OG 3.3Å; C137-S139 VanDerWaalsContact C-N 3.28Å; C137-S139 PolarHBondContact O-N 3.46Å; S139-Y141 PolarHBondContact O-N 3.27Å; S139-Y141 VanDerWaalsContact O-N 3.1Å; S139-G142 PolarHBondContact O-N 2.9Å; S139-F143 VanDerWaalsContact CA-O 3.27Å; S139-F143 WeakPolarHBondContact CA-O 3.3Å; S139-F143 PolarHBondContact N-O 3.13Å
140K87Confident91.8Very high69 Ų6954 Ų5430%0.330%0.299SS..THydrogen-bonded Turntrans-57.9-26.1175.2-60.3-178-177.6179.20112.6S94 C137 L138 G191 P193S94-K140 CarbonylContact C-O 3.44Å; S94-K140 PolarHBondContact OG-O 3.01Å; C137-K140 PolarHBondContact O-N 2.92Å; L138-K140 VanDerWaalsContact C-N 3.26Å; L138-K140 PolarHBondContact O-N 3.45Å; K140-G191 PolarHBondContact NZ-O 3.1Å; K140-P193 HydrophobicContact CD-CG 3.98Å
141Y90.5Very high91.3Very high8 Ų847 Ų473%0.03128%0.281CS..THydrogen-bonded Turntrans-109.39.7-179.7-60.4-80.7000112.5F91 P95 L138 S139 F143 P162 I186 P193 T197 I198 I201F91-Y141 HydrophobicContact CD1-CD1 4.14Å; P95-Y141 HydrophobicContact CG-CE1 4.31Å; L138-Y141 PolarHBondContact O-N 2.92Å; S139-Y141 PolarHBondContact O-N 3.27Å; S139-Y141 VanDerWaalsContact O-N 3.1Å; Y141-F143 WeakPolarHBondContact O-CD2 3.27Å; Y141-P162 WeakPolarHBondContact O-CG 3.46Å; Y141-I186 HydrophobicContact CD2-CB 4.4Å; Y141-I186 HydrophobicContact CD2-CD1 3.9Å; Y141-I186 HydrophobicContact CD2-CG1 3.76Å; Y141-I186 HydrophobicContact CD2-CG2 3.73Å; Y141-I186 HydrophobicContact CE2-CG1 4.13Å; Y141-I186 HydrophobicContact CE2-CG2 3.88Å; Y141-I186 HydrophobicContact CG-CD1 4.05Å; Y141-I186 HydrophobicContact CG-CG1 4.2Å; Y141-P193 VanDerWaalsContact OH-CA 3.24Å; Y141-P193 WeakPolarHBondContact OH-CA 3.24Å; Y141-P193 WeakPolarHBondContact OH-CB 3.48Å; Y141-T197 HydrophobicContact CE1-CG2 4.36Å; Y141-T197 HydrophobicContact CE2-CG2 4.46Å; Y141-T197 VanDerWaalsContact OH-CG2 3.3Å; Y141-T197 WeakPolarHBondContact OH-CG2 3.36Å; Y141-I198 HydrophobicContact CE1-CG1 4.31Å; Y141-I201 HydrophobicContact CD1-CD1 3.5Å; Y141-I201 HydrophobicContact CD2-CD1 4.48Å; Y141-I201 HydrophobicContact CE1-CD1 3.73Å; Y141-I201 HydrophobicContact CG-CD1 3.9Å
142G91.6Very high90.7Very high0 Ų053.2 Ų53.20%031%0.312CS..THydrogen-bonded Turntrans79.515.8-179.500000115.2S109 L138 S139 I161 P162S109-G142 WeakPolarHBondContact CB-O 3.4Å; S109-G142 WeakPolarHBondContact OG-CA 3.41Å; S109-G142 PolarHBondContact OG-O 3.42Å; L138-G142 PolarHBondContact O-N 2.74Å; S139-G142 PolarHBondContact O-N 2.9Å; G142-I161 CarbonylContact O-C 3.17Å; G142-I161 VanDerWaalsContact O-C 3.26Å; G142-P162 WeakPolarHBondContact O-CD 3.4Å
143F94.6Very high90Very high0 Ų050.7 Ų50.70%030%0.3CS..  trans-98.8155.9173.4-66-95.4000111F91 L138 S139 Y141 M160 I161 P162 I165 I179 C182 I183 I186F91-F143 HydrophobicContact CE1-CE2 4.24Å; L138-F143 CarbonylContact C-O 3.42Å; L138-F143 HydrophobicContact CB-CB 3.81Å; L138-F143 HydrophobicContact CD2-CB 4.38Å; L138-F143 PolarHBondContact O-N 3.46Å; S139-F143 VanDerWaalsContact CA-O 3.27Å; S139-F143 WeakPolarHBondContact CA-O 3.3Å; S139-F143 PolarHBondContact N-O 3.13Å; Y141-F143 WeakPolarHBondContact O-CD2 3.27Å; F143-M160 WeakPolarHBondContact CA-O 3.36Å; F143-I161 HydrophobicContact CD1-CB 4.3Å; F143-I161 HydrophobicContact CD1-CG2 3.87Å; F143-I161 HydrophobicContact CE1-CB 4.31Å; F143-I161 HydrophobicContact CE1-CG2 4Å; F143-P162 HydrophobicContact CD2-CG 3.81Å; F143-P162 VanDerWaalsContact CE1-CD 3.49Å; F143-P162 HydrophobicContact CE1-CG 4.32Å; F143-P162 HydrophobicContact CE2-CG 3.48Å; F143-P162 VanDerWaalsContact CE2-CG 3.48Å; F143-P162 HydrophobicContact CG-CG 4.37Å; F143-P162 VanDerWaalsContact CZ-CD 3.46Å; F143-P162 HydrophobicContact CZ-CG 3.78Å; F143-I165 HydrophobicContact CE1-CD1 3.82Å; F143-I165 HydrophobicContact CZ-CD1 3.56Å; F143-I179 HydrophobicContact CE1-CD1 4.39Å; F143-C182 HydrophobicContact CE1-CB 4.05Å; F143-C182 HydrophobicContact CE2-CB 4.4Å; F143-C182 HydrophobicContact CZ-CB 3.63Å; F143-I183 HydrophobicContact CB-CD1 4.14Å; F143-I183 HydrophobicContact CD1-CD1 3.82Å; F143-I183 HydrophobicContact CE1-CD1 4.47Å; F143-I183 HydrophobicContact CG-CD1 4.11Å; F143-I186 HydrophobicContact CD2-CD1 3.55Å; F143-I186 HydrophobicContact CE2-CD1 3.69Å; F143-I186 HydrophobicContact CG-CD1 4.3Å
144S95Very high90Very high32 Ų3249.4 Ų49.422%0.22428%0.28CS..EExtended strand (participates in β ladder)trans-145.4143.6168.6-170.40000110.3I158 T159 M160S144-I158 WeakPolarHBondContact O-CA 3.49Å; S144-I158 WeakPolarHBondContact O-CG2 3.19Å; S144-T159 WeakPolarHBondContact CB-OG1 3.43Å; S144-T159 PolarHBondContact O-N 3.36Å; S144-T159 PolarHBondContact O-OG1 3.39Å; S144-T159 PolarHBondContact OG-OG1 3.08Å; S144-M160 PolarHBondContact N-O 2.97Å; S144-M160 PolarHBondContact O-N 3.16Å
145A97Very high90.2Very high9 Ų948 Ų487%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-146.9156.117600000111.6L135 L138 I156 F157 I158L135-A145 HydrophobicContact CD2-CB 4.13Å; L138-A145 HydrophobicContact CD1-CB 3.69Å; A145-I156 HydrophobicContact CB-CG2 3.89Å; A145-F157 CarbonylContact C-O 3.53Å; A145-F157 WeakPolarHBondContact CA-O 3.4Å; A145-F157 WeakPolarHBondContact CB-O 3.45Å; A145-I158 HydrophobicContact CB-CD1 3.61Å
146T95.7Very high90.4Very high71 Ų7146.6 Ų46.644%0.43627%0.267SS..EExtended strand (participates in β ladder)trans-124.7146.4173.956.30000110F157T146-F157 PolarHBondContact N-O 2.88Å; T146-F157 PolarHBondContact O-N 3.21Å
147L95.3Very high90.7Very high48 Ų4845.2 Ų45.225%0.25125%0.252SS..EExtended strand (participates in β ladder)trans-97.2133.4177.1-175.870.6000109.9F125 V128 N129 L135 I156F125-L147 HydrophobicContact CD2-CD1 4.02Å; F125-L147 HydrophobicContact CE2-CD1 3.48Å; F125-L147 VanDerWaalsContact CE2-CD1 3.48Å; F125-L147 HydrophobicContact CZ-CD1 3.89Å; V128-L147 HydrophobicContact CG1-CB 4.47Å; V128-L147 HydrophobicContact CG1-CD1 4.33Å; V128-L147 HydrophobicContact CG1-CD2 4.34Å; N129-L147 HydrophobicContact CB-CD2 4.33Å; L135-L147 HydrophobicContact CD1-CB 4.43Å; L147-I156 HydrophobicContact CD1-CG1 3.97Å
148D92.8Very high91.2Very high39 Ų3943.9 Ų43.921%0.20924%0.242CC..EExtended strand (participates in β ladder)trans-120.698.7168.4176.37.9000108.9N150 S151 Q154 F155 F157D148-N150 PolarHBondContact OD1-N 2.96Å; D148-S151 PolarHBondContact OD1-N 2.95Å; D148-S151 VanDerWaalsContact OD1-N 3.15Å; D148-S151 PolarHBondContact OD1-OG 3.32Å; D148-S151 VanDerWaalsContact OD2-CB 3.24Å; D148-S151 WeakPolarHBondContact OD2-CB 3.12Å; D148-S151 PolarHBondContact OD2-OG 3.26Å; D148-Q154 CarbonylContact O-C 3.49Å; D148-Q154 WeakPolarHBondContact O-CA 3.32Å; D148-F155 PolarHBondContact N-O 2.89Å; D148-F155 PolarHBondContact O-N 3.38Å; D148-F157 HydrophobicContact CB-CD2 4.15Å; D148-F157 HydrophobicContact CB-CE2 3.72Å
149C85.4Confident91.4Very high48 Ų4846 Ų4632%0.32426%0.255SS..  trans-95.1-10.2179.855.80000113.8Q154C149-Q154 PolarHBondContact O-NE2 3.18Å; C149-Q154 VanDerWaalsContact O-NE2 3.08Å
150N85.4Confident91.8Very high153 Ų15345.3 Ų45.382%0.81825%0.249SC*.SBendtrans-90.9-28.8-172.6-64.4-27.7000112.1D148D148-N150 PolarHBondContact OD1-N 2.96Å
151S82.9Confident92.2Very high51 Ų5142 Ų4236%0.35724%0.235SC..SBendtrans-65.4142.4172.7-68.90000111.5D148 G153 Q154D148-S151 PolarHBondContact OD1-N 2.95Å; D148-S151 VanDerWaalsContact OD1-N 3.15Å; D148-S151 PolarHBondContact OD1-OG 3.32Å; D148-S151 VanDerWaalsContact OD2-CB 3.24Å; D148-S151 WeakPolarHBondContact OD2-CB 3.12Å; D148-S151 PolarHBondContact OD2-OG 3.26Å; S151-G153 PolarHBondContact O-N 3.07Å; S151-Q154 WeakPolarHBondContact O-CG 3.42Å; S151-Q154 PolarHBondContact O-N 3.45Å
152M81.4Confident92.4Very high200 Ų20041.7 Ų41.799%0.98523%0.233SC*.THydrogen-bonded Turntrans-46.6-36.9179.6-71.9-67.7-71.500114
153G78.2Confident92.4Very high22 Ų2250 Ų5023%0.22726%0.264CS..THydrogen-bonded Turntrans-94.4-2.9-176.900000116S151 F155S151-G153 PolarHBondContact O-N 3.07Å; G153-F155 VanDerWaalsContact C-CE2 3.49Å
154Q92.8Very high92.4Very high52 Ų5250.7 Ų50.724%0.24327%0.269CS..  trans44.3108.2176.1-65.3-167.3-29.700116.1K118 F125 D148 C149 S151K118-Q154 HydrophobicContact CB-CB 4.23Å; K118-Q154 WeakPolarHBondContact CB-O 3.12Å; K118-Q154 HydrophobicContact CD-CB 4.3Å; K118-Q154 VanDerWaalsContact CD-OE1 3.27Å; K118-Q154 PolarHBondContact N-O 3.17Å; F125-Q154 HydrophobicContact CE1-CB 4.27Å; F125-Q154 HydrophobicContact CE2-CB 3.81Å; F125-Q154 HydrophobicContact CZ-CB 3.55Å; F125-Q154 HydrophobicContact CZ-CG 4.23Å; D148-Q154 CarbonylContact O-C 3.49Å; D148-Q154 WeakPolarHBondContact O-CA 3.32Å; C149-Q154 PolarHBondContact O-NE2 3.18Å; C149-Q154 VanDerWaalsContact O-NE2 3.08Å; S151-Q154 WeakPolarHBondContact O-CG 3.42Å; S151-Q154 PolarHBondContact O-N 3.45Å
155F95.5Very high92.4Very high29 Ų2949.3 Ų49.313%0.12726%0.259CS..EExtended strand (participates in β ladder)trans-127.1151.3-167.6-57-76.7000114K115 L116 D148 G153 F157K115-F155 HydrophobicContact CD-CD1 4.04Å; K115-F155 HydrophobicContact CD-CE1 4.27Å; K115-F155 HydrophobicContact CD-CG 4.33Å; K115-F155 VanDerWaalsContact CE-CD2 3.48Å; K115-F155 VanDerWaalsContact CE-CE2 3.44Å; K115-F155 HydrophobicContact CG-CB 4.29Å; K115-F155 HydrophobicContact CG-CD1 3.7Å; K115-F155 HydrophobicContact CG-CE1 4.33Å; K115-F155 HydrophobicContact CG-CG 4.06Å; L116-F155 CarbonylContact O-C 3.59Å; L116-F155 WeakPolarHBondContact O-CA 3.33Å; D148-F155 PolarHBondContact N-O 2.89Å; D148-F155 PolarHBondContact O-N 3.38Å; G153-F155 VanDerWaalsContact C-CE2 3.49Å; F155-F157 HydrophobicContact CB-CD2 4.14Å; F155-F157 HydrophobicContact CB-CE2 3.65Å; F155-F157 HydrophobicContact CB-CZ 3.97Å; F155-F157 HydrophobicContact CD2-CZ 4.45Å; F155-F157 HydrophobicContact CG-CE2 4.42Å; F155-F157 HydrophobicContact CG-CZ 4.35Å
156I96.6Very high92.2Very high2 Ų249.5 Ų49.51%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-103.6124.7157.1-63.9166.6000107.3L116 V121 I124 F125 A145 L147 I158L116-I156 HydrophobicContact CB-CB 4.35Å; L116-I156 WeakPolarHBondContact CB-O 3.37Å; L116-I156 PolarHBondContact N-O 3.05Å; L116-I156 PolarHBondContact O-N 3.46Å; V121-I156 HydrophobicContact CG2-CD1 4.42Å; I124-I156 HydrophobicContact CB-CD1 4.37Å; I124-I156 HydrophobicContact CG2-CD1 3.76Å; F125-I156 HydrophobicContact CB-CD1 4.33Å; F125-I156 HydrophobicContact CD2-CD1 4.32Å; F125-I156 HydrophobicContact CD2-CG1 4.03Å; A145-I156 HydrophobicContact CB-CG2 3.89Å; L147-I156 HydrophobicContact CD1-CG1 3.97Å; I156-I158 HydrophobicContact CG2-CD1 3.86Å
157F96.9Very high91.9Very high53 Ų5349.4 Ų49.423%0.23225%0.254CS..EExtended strand (participates in β ladder)trans-101.8112.8174.2-68.9-84000109.4L114 K115 A145 T146 D148 F155 T159L114-F157 WeakPolarHBondContact O-CA 3.04Å; K115-F157 HydrophobicContact CB-CD1 4.04Å; K115-F157 HydrophobicContact CB-CE1 3.85Å; K115-F157 HydrophobicContact CD-CE1 3.76Å; K115-F157 HydrophobicContact CD-CZ 4.11Å; K115-F157 HydrophobicContact CG-CD1 4.15Å; K115-F157 HydrophobicContact CG-CE1 3.6Å; K115-F157 HydrophobicContact CG-CZ 4.11Å; A145-F157 CarbonylContact C-O 3.53Å; A145-F157 WeakPolarHBondContact CA-O 3.4Å; A145-F157 WeakPolarHBondContact CB-O 3.45Å; T146-F157 PolarHBondContact N-O 2.88Å; T146-F157 PolarHBondContact O-N 3.21Å; D148-F157 HydrophobicContact CB-CD2 4.15Å; D148-F157 HydrophobicContact CB-CE2 3.72Å; F155-F157 HydrophobicContact CB-CD2 4.14Å; F155-F157 HydrophobicContact CB-CE2 3.65Å; F155-F157 HydrophobicContact CB-CZ 3.97Å; F155-F157 HydrophobicContact CD2-CZ 4.45Å; F155-F157 HydrophobicContact CG-CE2 4.42Å; F155-F157 HydrophobicContact CG-CZ 4.35Å; F157-T159 PolarHBondContact O-N 3.42Å
158I98Very high91.3Very high0 Ų053.3 Ų53.30%028%0.275CS..EExtended strand (participates in β ladder)trans-79.1119.5169-45.4-57.3000107.5I112 L114 L116 S144 A145 I156 I161 I179 I183I112-I158 HydrophobicContact CD1-CB 4.28Å; I112-I158 HydrophobicContact CD1-CG2 3.93Å; I112-I158 HydrophobicContact CG1-CG2 4.41Å; L114-I158 HydrophobicContact CB-CB 4.17Å; L114-I158 HydrophobicContact CD2-CG1 4.35Å; L114-I158 PolarHBondContact N-O 2.9Å; L114-I158 PolarHBondContact O-N 3.35Å; L116-I158 HydrophobicContact CD1-CD1 3.95Å; L116-I158 HydrophobicContact CD1-CG1 3.85Å; L116-I158 HydrophobicContact CG-CG1 4.29Å; S144-I158 WeakPolarHBondContact O-CA 3.49Å; S144-I158 WeakPolarHBondContact O-CG2 3.19Å; A145-I158 HydrophobicContact CB-CD1 3.61Å; I156-I158 HydrophobicContact CG2-CD1 3.86Å; I158-I161 HydrophobicContact CG2-CG2 3.93Å; I158-I179 HydrophobicContact CG1-CG2 4.14Å; I158-I179 HydrophobicContact CG2-CG2 4.22Å; I158-I183 HydrophobicContact CD1-CD1 4.02Å; I158-I183 HydrophobicContact CD1-CG1 3.94Å
159T97.6Very high90.7Very high45 Ų4558.8 Ų58.828%0.27630%0.299SS..EExtended strand (participates in β ladder)trans-106.4-23-174.256.50000112.7K111 I112 S144 F157K111-T159 WeakPolarHBondContact CA-O 3.31Å; I112-T159 PolarHBondContact N-O 3.03Å; I112-T159 CarbonylContact O-C 3.45Å; I112-T159 VanDerWaalsContact O-CA 3.3Å; I112-T159 WeakPolarHBondContact O-CA 3.04Å; S144-T159 WeakPolarHBondContact CB-OG1 3.43Å; S144-T159 PolarHBondContact O-N 3.36Å; S144-T159 PolarHBondContact O-OG1 3.39Å; S144-T159 PolarHBondContact OG-OG1 3.08Å; F157-T159 PolarHBondContact O-N 3.42Å
160M97.2Very high90.6Very high21 Ų2157.8 Ų57.810%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-141.3145.2178-56.1-70-59.500110.9W105 S109 N110 K111 F143 S144W105-M160 HydrophobicContact CH2-CB 4.38Å; W105-M160 HydrophobicContact CH2-CG 4.03Å; W105-M160 HydrophobicContact CZ3-CB 3.9Å; W105-M160 HydrophobicContact CZ3-CG 3.92Å; S109-M160 WeakPolarHBondContact O-CE 3.19Å; N110-M160 WeakPolarHBondContact O-CA 3.15Å; K111-M160 VanDerWaalsContact CA-SD 3.58Å; K111-M160 HydrophobicContact CB-SD 4.02Å; K111-M160 HydrophobicContact CG-CE 4Å; K111-M160 HydrophobicContact CG-SD 3.31Å; K111-M160 WeakPolarHBondContact CG-SD 3.46Å; F143-M160 WeakPolarHBondContact CA-O 3.36Å; S144-M160 PolarHBondContact N-O 2.97Å; S144-M160 PolarHBondContact O-N 3.16Å
161I96.4Very high90.7Very high0 Ų054.1 Ų54.10%028%0.275CS..EExtended strand (participates in β ladder)trans-134.5157.6170.456.7159.9000111S109 N110 I112 G142 F143 I158 R163 I165 Q167 F175 I179S109-I161 CarbonylContact C-O 3.26Å; S109-I161 WeakPolarHBondContact CA-O 3.36Å; S109-I161 WeakPolarHBondContact CB-O 3.18Å; N110-I161 PolarHBondContact N-O 3.26Å; N110-I161 PolarHBondContact O-N 3.31Å; I112-I161 HydrophobicContact CD1-CB 4.38Å; I112-I161 HydrophobicContact CD1-CD1 4.41Å; I112-I161 HydrophobicContact CD1-CG1 4.13Å; I112-I161 HydrophobicContact CD1-CG2 3.41Å; I112-I161 VanDerWaalsContact CD1-CG2 3.41Å; I112-I161 HydrophobicContact CG1-CG1 4.29Å; I112-I161 HydrophobicContact CG1-CG2 4.06Å; I112-I161 HydrophobicContact CG2-CD1 4.05Å; I112-I161 HydrophobicContact CG2-CG1 3.79Å; G142-I161 CarbonylContact O-C 3.17Å; G142-I161 VanDerWaalsContact O-C 3.26Å; F143-I161 HydrophobicContact CD1-CB 4.3Å; F143-I161 HydrophobicContact CD1-CG2 3.87Å; F143-I161 HydrophobicContact CE1-CB 4.31Å; F143-I161 HydrophobicContact CE1-CG2 4Å; I158-I161 HydrophobicContact CG2-CG2 3.93Å; I161-R163 PolarHBondContact O-N 3.2Å; I161-I165 HydrophobicContact CD1-CB 4.26Å; I161-I165 HydrophobicContact CD1-CG2 4.15Å; I161-Q167 HydrophobicContact CD1-CG 4Å; I161-F175 HydrophobicContact CD1-CE2 3.84Å; I161-F175 HydrophobicContact CD1-CZ 3.64Å; I161-I179 HydrophobicContact CD1-CD1 4.33Å; I161-I179 HydrophobicContact CG2-CD1 3.88Å; I161-I179 HydrophobicContact CG2-CG1 4.48Å; I161-I179 HydrophobicContact CG2-CG2 4.38Å
162P94.7Very high91Very high0 Ų059.2 Ų59.20%029%0.293CS..EExtended strand (participates in β ladder)trans-53.8134.7171.8-33.441.6000112.9Y90 F91 Y141 G142 F143 V164 I165Y90-P162 HydrophobicContact CD1-CB 4.37Å; Y90-P162 HydrophobicContact CE1-CB 3.61Å; Y90-P162 HydrophobicContact CE1-CG 4.01Å; Y90-P162 HydrophobicContact CE2-CB 4.37Å; F91-P162 HydrophobicContact CE1-CB 4.35Å; F91-P162 HydrophobicContact CE1-CG 3.88Å; F91-P162 HydrophobicContact CZ-CB 4.13Å; F91-P162 HydrophobicContact CZ-CG 3.98Å; Y141-P162 WeakPolarHBondContact O-CG 3.46Å; G142-P162 WeakPolarHBondContact O-CD 3.4Å; F143-P162 HydrophobicContact CD2-CG 3.81Å; F143-P162 VanDerWaalsContact CE1-CD 3.49Å; F143-P162 HydrophobicContact CE1-CG 4.32Å; F143-P162 HydrophobicContact CE2-CG 3.48Å; F143-P162 VanDerWaalsContact CE2-CG 3.48Å; F143-P162 HydrophobicContact CG-CG 4.37Å; F143-P162 VanDerWaalsContact CZ-CD 3.46Å; F143-P162 HydrophobicContact CZ-CG 3.78Å; P162-V164 HydrophobicContact CB-CG1 4.05Å; P162-V164 PolarHBondContact O-N 3.17Å; P162-I165 HydrophobicContact CB-CD1 4.23Å; P162-I165 HydrophobicContact CB-CG1 4.16Å; P162-I165 HydrophobicContact CG-CD1 4.18Å; P162-I165 WeakPolarHBondContact O-CB 2.9Å; P162-I165 PolarHBondContact O-N 2.95Å
163R92.2Very high91.6Very high174 Ų17458.5 Ų58.566%0.65729%0.285SS*.THydrogen-bonded Turntrans-63.3-23.7178-178.8171.8177.6-176.31113F108 I161 I165F108-R163 WeakPolarHBondContact O-CB 3.31Å; F108-R163 PolarHBondContact O-N 2.87Å; I161-R163 PolarHBondContact O-N 3.2Å; R163-I165 PolarHBondContact O-N 3.32Å
164V93.2Very high92.3Very high16 Ų1659.9 Ų59.910%0.09729%0.287CS..THydrogen-bonded Turntrans-68.4-21.2176.877.40000112.6E86 C87 Y90 F91 P162 P166E86-V164 HydrophobicContact CB-CG2 4.14Å; C87-V164 HydrophobicContact CB-CG2 4.37Å; Y90-V164 HydrophobicContact CD1-CG1 3.89Å; Y90-V164 HydrophobicContact CD2-CB 4.02Å; Y90-V164 HydrophobicContact CD2-CG1 4.14Å; Y90-V164 HydrophobicContact CE1-CG1 4.49Å; Y90-V164 HydrophobicContact CG-CB 4.03Å; Y90-V164 HydrophobicContact CG-CG1 3.75Å; F91-V164 HydrophobicContact CE2-CG1 3.91Å; F91-V164 HydrophobicContact CZ-CG1 4.13Å; P162-V164 HydrophobicContact CB-CG1 4.05Å; P162-V164 PolarHBondContact O-N 3.17Å; V164-P166 WeakPolarHBondContact O-CD 3.43Å
165I95.7Very high92.5Very high2 Ų258.8 Ų58.81%0.0128%0.281CS..SBendtrans-72.3120.7174.9-65.8177.7000108.9F143 I161 P162 R163 F175 I179 I205 L208F143-I165 HydrophobicContact CE1-CD1 3.82Å; F143-I165 HydrophobicContact CZ-CD1 3.56Å; I161-I165 HydrophobicContact CD1-CB 4.26Å; I161-I165 HydrophobicContact CD1-CG2 4.15Å; P162-I165 HydrophobicContact CB-CD1 4.23Å; P162-I165 HydrophobicContact CB-CG1 4.16Å; P162-I165 HydrophobicContact CG-CD1 4.18Å; P162-I165 WeakPolarHBondContact O-CB 2.9Å; P162-I165 PolarHBondContact O-N 2.95Å; R163-I165 PolarHBondContact O-N 3.32Å; I165-F175 HydrophobicContact CG2-CE2 4.22Å; I165-I179 HydrophobicContact CD1-CD1 3.97Å; I165-I179 HydrophobicContact CG2-CD1 4.12Å; I165-I205 HydrophobicContact CD1-CD1 3.91Å; I165-I205 HydrophobicContact CD1-CG1 4.18Å; I165-I205 HydrophobicContact CG1-CD1 3.72Å; I165-I205 HydrophobicContact CG1-CG1 4.08Å; I165-I205 HydrophobicContact CG1-CG2 4.37Å; I165-L208 HydrophobicContact CG2-CD1 3.83Å
166P92.6Very high92.5Very high14 Ų1458.4 Ų58.49%0.09128%0.282CS..  trans-62.4144.1177.3-19.632.4000111.4V164 L170 L208 L209 R212V164-P166 WeakPolarHBondContact O-CD 3.43Å; P166-L170 HydrophobicContact CB-CD1 4.12Å; P166-L170 WeakPolarHBondContact O-CD1 3.32Å; P166-L208 HydrophobicContact CG-CB 4.27Å; P166-L209 HydrophobicContact CG-CD2 3.87Å; P166-R212 HydrophobicContact CB-CB 4.28Å; P166-R212 HydrophobicContact CG-CB 4.15Å; P166-R212 HydrophobicContact CG-CG 4.49Å
167Q88.3Confident92.4Very high69 Ų6965.5 Ų65.532%0.32231%0.313SS..  trans-123.7-26.2178.7-64.8179.240.100113.1N110 I161 F175N110-Q167 VanDerWaalsContact CB-NE2 3.27Å; N110-Q167 PolarHBondContact ND2-NE2 2.79Å; I161-Q167 HydrophobicContact CD1-CG 4Å; Q167-F175 HydrophobicContact CG-CE2 4.06Å; Q167-F175 HydrophobicContact CG-CZ 4.47Å
168N83.9Confident92.5Very high130 Ų13063.2 Ų63.270%0.69530%0.304SS*.THydrogen-bonded Turntrans-86.3143.5-172-61.2-12.5000111.8L170N168-L170 PolarHBondContact O-N 3.28Å
169H80.1Confident92.5Very high153 Ų15363.2 Ų63.271%0.70830%0.304SS*.THydrogen-bonded Turntrans57.130.5176-50-68.3000114.5
170L82.7Confident92.5Very high28 Ų2862.1 Ų62.115%0.14730%0.296CS..  trans-105.6142.7179.4-65.4173000111.5P166 N168 E172 F175 L208P166-L170 HydrophobicContact CB-CD1 4.12Å; P166-L170 WeakPolarHBondContact O-CD1 3.32Å; N168-L170 PolarHBondContact O-N 3.28Å; L170-E172 PolarHBondContact O-N 3.35Å; L170-F175 HydrophobicContact CD1-CD2 4.2Å; L170-L208 HydrophobicContact CD1-CB 4.38Å; L170-L208 HydrophobicContact CD1-CD1 4.12Å; L170-L208 HydrophobicContact CD1-CD2 3.8Å; L170-L208 HydrophobicContact CD1-CG 4.32Å; L170-L208 HydrophobicContact CD2-CD2 3.95Å; L170-L208 HydrophobicContact CG-CD2 4.37Å
171P86.9Confident92.5Very high76 Ų7663.4 Ų63.449%0.49431%0.306SS..  trans-62125.9166.9-18.731.1000110.1K173 L174 F175P171-K173 PolarHBondContact O-N 3.47Å; P171-K173 VanDerWaalsContact O-N 3.17Å; P171-L174 HydrophobicContact CB-CB 4.2Å; P171-L174 HydrophobicContact CG-CB 4.49Å; P171-L174 WeakPolarHBondContact O-CB 3.46Å; P171-L174 PolarHBondContact O-N 2.93Å; P171-F175 PolarHBondContact O-N 3.48Å
172E90.3Very high92.6Very high157 Ų15763.4 Ų63.473%0.73431%0.306SS*.Hα-helixtrans-52.7-41.7-178-174.3-177.5171.900112.3L170 L174 F175 S176L170-E172 PolarHBondContact O-N 3.35Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.34Å; E172-F175 PolarHBondContact O-N 3.4Å; E172-S176 WeakPolarHBondContact O-CB 3.34Å; E172-S176 PolarHBondContact O-N 2.95Å; E172-S176 PolarHBondContact O-OG 2.81Å
173K93.2Very high92.7Very high185 Ų18563.4 Ų63.480%0.80431%0.306SS*.Hα-helixtrans-59.6-40.3176.9-174.2177.3-177.71770112.9P171 K177P171-K173 PolarHBondContact O-N 3.47Å; P171-K173 VanDerWaalsContact O-N 3.17Å; K173-K177 VanDerWaalsContact O-CB 3.29Å; K173-K177 WeakPolarHBondContact O-CB 3.03Å; K173-K177 PolarHBondContact O-N 3.38Å; K173-K177 VanDerWaalsContact O-N 3.09Å
174L94.1Very high92.8Very high51 Ų5158.9 Ų58.927%0.26729%0.289SS..Hα-helixtrans-69.9-45.3178.6-177.763.5000110.1P171 E172 K177 T178 P207 L208P171-L174 HydrophobicContact CB-CB 4.2Å; P171-L174 HydrophobicContact CG-CB 4.49Å; P171-L174 WeakPolarHBondContact O-CB 3.46Å; P171-L174 PolarHBondContact O-N 2.93Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.34Å; L174-K177 PolarHBondContact O-N 3.43Å; L174-T178 WeakPolarHBondContact O-CB 3.18Å; L174-T178 PolarHBondContact O-N 2.71Å; L174-T178 PolarHBondContact O-OG1 3.21Å; L174-P207 HydrophobicContact CD1-CB 4.04Å; L174-P207 HydrophobicContact CD2-CB 4.48Å; L174-L208 HydrophobicContact CB-CD2 4.48Å; L174-L208 HydrophobicContact CD2-CD2 3.82Å; L174-L208 HydrophobicContact CG-CD2 3.68Å
175F95.6Very high92.9Very high29 Ų2959.5 Ų59.513%0.12729%0.293CS..Hα-helixtrans-56.1-54.6176.1178.4-100.6000111.4I112 I161 I165 Q167 L170 P171 E172 K177 T178 I179 L208I112-F175 HydrophobicContact CD1-CE1 4.42Å; I112-F175 HydrophobicContact CD1-CZ 4.33Å; I161-F175 HydrophobicContact CD1-CE2 3.84Å; I161-F175 HydrophobicContact CD1-CZ 3.64Å; I165-F175 HydrophobicContact CG2-CE2 4.22Å; Q167-F175 HydrophobicContact CG-CE2 4.06Å; Q167-F175 HydrophobicContact CG-CZ 4.47Å; L170-F175 HydrophobicContact CD1-CD2 4.2Å; P171-F175 PolarHBondContact O-N 3.48Å; E172-F175 PolarHBondContact O-N 3.4Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 3.09Å; F175-T178 PolarHBondContact O-N 3.21Å; F175-T178 VanDerWaalsContact O-N 3.14Å; F175-I179 HydrophobicContact CD1-CG1 4.34Å; F175-I179 HydrophobicContact CD2-CG1 4.49Å; F175-I179 HydrophobicContact CE1-CG1 3.99Å; F175-I179 HydrophobicContact CE2-CD1 4.11Å; F175-I179 HydrophobicContact CE2-CG1 4.15Å; F175-I179 HydrophobicContact CZ-CD1 4.15Å; F175-I179 HydrophobicContact CZ-CG1 3.9Å; F175-I179 WeakPolarHBondContact O-CG1 3.41Å; F175-I179 PolarHBondContact O-N 3.37Å; F175-L208 HydrophobicContact CD2-CD1 4.11Å
176S95.5Very high92.8Very high22 Ų2259.8 Ų59.815%0.15430%0.295CS..Hα-helixtrans-58.3-43.9179.2-62.70000112.3L114 E172 T178 I179 I180L114-S176 VanDerWaalsContact CD1-OG 3.28Å; L114-S176 WeakPolarHBondContact CD1-OG 3.34Å; E172-S176 WeakPolarHBondContact O-CB 3.34Å; E172-S176 PolarHBondContact O-N 2.95Å; E172-S176 PolarHBondContact O-OG 2.81Å; S176-T178 PolarHBondContact O-N 3.38Å; S176-I179 PolarHBondContact O-N 3.45Å; S176-I180 WeakPolarHBondContact O-CB 3.45Å; S176-I180 WeakPolarHBondContact O-CD1 3.5Å; S176-I180 WeakPolarHBondContact O-CG1 3.42Å; S176-I180 PolarHBondContact O-N 3.46Å
177K96.4Very high92.8Very high151 Ų15159.4 Ų59.466%0.65729%0.292SS*.Hα-helixtrans-61.2-43176.3-177.1-179.3176.3-175.80112.1K173 L174 F175 I180 S181K173-K177 VanDerWaalsContact O-CB 3.29Å; K173-K177 WeakPolarHBondContact O-CB 3.03Å; K173-K177 PolarHBondContact O-N 3.38Å; K173-K177 VanDerWaalsContact O-N 3.09Å; L174-K177 PolarHBondContact O-N 3.43Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 3.09Å; K177-I180 PolarHBondContact O-N 3.22Å; K177-S181 WeakPolarHBondContact O-CB 3.45Å; K177-S181 PolarHBondContact O-N 3.09Å
178T97.7Very high92.9Very high5 Ų560.8 Ų60.83%0.03130%0.301CS..Hα-helixtrans-64.4-45.7177.3-75.30000111.5L174 F175 S176 I180 S181 C182 A204 I205 L208L174-T178 WeakPolarHBondContact O-CB 3.18Å; L174-T178 PolarHBondContact O-N 2.71Å; L174-T178 PolarHBondContact O-OG1 3.21Å; F175-T178 PolarHBondContact O-N 3.21Å; F175-T178 VanDerWaalsContact O-N 3.14Å; S176-T178 PolarHBondContact O-N 3.38Å; T178-I180 PolarHBondContact O-N 2.91Å; T178-S181 WeakPolarHBondContact O-CB 3.42Å; T178-S181 PolarHBondContact O-N 3.16Å; T178-C182 PolarHBondContact O-N 3.26Å; T178-C182 PolarHBondContact O-SG 2.9Å; T178-A204 VanDerWaalsContact CG2-O 3.27Å; T178-A204 WeakPolarHBondContact CG2-O 3.3Å; T178-A204 PolarHBondContact OG1-O 2.92Å; T178-I205 HydrophobicContact CG2-CG1 4.28Å; T178-L208 HydrophobicContact CG2-CD1 3.49Å; T178-L208 VanDerWaalsContact CG2-CD1 3.49Å; T178-L208 HydrophobicContact CG2-CG 3.86Å
179I97.8Very high92.9Very high0 Ų057 Ų570%028%0.281CS..Hα-helixtrans-61.1-47177.3-60.1-51000110.3L114 F143 I158 I161 I165 F175 S176 S181 C182 I183L114-I179 HydrophobicContact CD2-CB 3.79Å; L114-I179 HydrophobicContact CD2-CG1 4.12Å; L114-I179 HydrophobicContact CD2-CG2 3.78Å; F143-I179 HydrophobicContact CE1-CD1 4.39Å; I158-I179 HydrophobicContact CG1-CG2 4.14Å; I158-I179 HydrophobicContact CG2-CG2 4.22Å; I161-I179 HydrophobicContact CD1-CD1 4.33Å; I161-I179 HydrophobicContact CG2-CD1 3.88Å; I161-I179 HydrophobicContact CG2-CG1 4.48Å; I161-I179 HydrophobicContact CG2-CG2 4.38Å; I165-I179 HydrophobicContact CD1-CD1 3.97Å; I165-I179 HydrophobicContact CG2-CD1 4.12Å; F175-I179 HydrophobicContact CD1-CG1 4.34Å; F175-I179 HydrophobicContact CD2-CG1 4.49Å; F175-I179 HydrophobicContact CE1-CG1 3.99Å; F175-I179 HydrophobicContact CE2-CD1 4.11Å; F175-I179 HydrophobicContact CE2-CG1 4.15Å; F175-I179 HydrophobicContact CZ-CD1 4.15Å; F175-I179 HydrophobicContact CZ-CG1 3.9Å; F175-I179 WeakPolarHBondContact O-CG1 3.41Å; F175-I179 PolarHBondContact O-N 3.37Å; S176-I179 PolarHBondContact O-N 3.45Å; I179-S181 VanDerWaalsContact C-N 3.28Å; I179-S181 PolarHBondContact O-N 3.33Å; I179-C182 WeakPolarHBondContact O-CB 3.35Å; I179-C182 PolarHBondContact O-N 3.23Å; I179-C182 VanDerWaalsContact O-N 3.11Å; I179-I183 HydrophobicContact CG2-CG1 4.14Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.27Å; I179-I183 PolarHBondContact O-N 3.44Å
180I97.9Very high92.5Very high22 Ų2260 Ų6011%0.11329%0.292CS..Hα-helixtrans-54.2-46.2175.1-70164000110.9L116 V121 I124 S176 K177 T178 C182 I183 R184L116-I180 HydrophobicContact CD1-CG1 3.92Å; L116-I180 HydrophobicContact CD2-CD1 3.86Å; L116-I180 HydrophobicContact CD2-CG1 3.67Å; L116-I180 HydrophobicContact CG-CG1 4.44Å; V121-I180 HydrophobicContact CG1-CB 4.39Å; V121-I180 HydrophobicContact CG1-CD1 4.08Å; V121-I180 HydrophobicContact CG1-CG1 3.95Å; V121-I180 HydrophobicContact CG1-CG2 3.55Å; I124-I180 HydrophobicContact CD1-CG2 4.33Å; S176-I180 WeakPolarHBondContact O-CB 3.45Å; S176-I180 WeakPolarHBondContact O-CD1 3.5Å; S176-I180 WeakPolarHBondContact O-CG1 3.42Å; S176-I180 PolarHBondContact O-N 3.46Å; K177-I180 PolarHBondContact O-N 3.22Å; T178-I180 PolarHBondContact O-N 2.91Å; I180-C182 PolarHBondContact O-N 2.94Å; I180-I183 PolarHBondContact O-N 2.97Å; I180-R184 HydrophobicContact CG2-CG 4.48Å; I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.29Å
181S98.1Very high91.5Very high47 Ų4760.5 Ų60.533%0.32930%0.304SS..Hα-helixtrans-61.6-41.2178.7-1680000112.4K177 T178 I179 R184 V185 A204K177-S181 WeakPolarHBondContact O-CB 3.45Å; K177-S181 PolarHBondContact O-N 3.09Å; T178-S181 WeakPolarHBondContact O-CB 3.42Å; T178-S181 PolarHBondContact O-N 3.16Å; I179-S181 VanDerWaalsContact C-N 3.28Å; I179-S181 PolarHBondContact O-N 3.33Å; S181-R184 PolarHBondContact O-N 3.12Å; S181-V185 VanDerWaalsContact O-CG2 3.32Å; S181-V185 WeakPolarHBondContact O-CG2 3.48Å; S181-V185 PolarHBondContact O-N 2.96Å; S181-V185 VanDerWaalsContact O-N 3.08Å; S181-A204 WeakPolarHBondContact OG-CB 3.31Å
182C97.4Very high90.7Very high0 Ų064.3 Ų64.30%032%0.315CS..Hα-helixtrans-63.5-47.3175.3-62.60000111.6F143 T178 I179 I180 R184 V185 I186F143-C182 HydrophobicContact CE1-CB 4.05Å; F143-C182 HydrophobicContact CE2-CB 4.4Å; F143-C182 HydrophobicContact CZ-CB 3.63Å; T178-C182 PolarHBondContact O-N 3.26Å; T178-C182 PolarHBondContact O-SG 2.9Å; I179-C182 WeakPolarHBondContact O-CB 3.35Å; I179-C182 PolarHBondContact O-N 3.23Å; I179-C182 VanDerWaalsContact O-N 3.11Å; I180-C182 PolarHBondContact O-N 2.94Å; C182-R184 VanDerWaalsContact C-N 3.32Å; C182-R184 PolarHBondContact O-N 3.46Å; C182-V185 PolarHBondContact O-N 3.44Å; C182-I186 WeakPolarHBondContact O-CG1 3.29Å; C182-I186 PolarHBondContact O-N 2.64Å
183I96.4Very high89.7Confident0 Ų059.1 Ų59.10%030%0.295CS..Hα-helixtrans-60.9-41.7179.1-63.5-60.8000110.8I124 L138 F143 I158 I179 I180 I186 L187I124-I183 HydrophobicContact CD1-CG2 4.13Å; I124-I183 HydrophobicContact CG2-CG2 4.07Å; L138-I183 HydrophobicContact CD1-CD1 4Å; L138-I183 HydrophobicContact CD2-CD1 3.48Å; L138-I183 VanDerWaalsContact CD2-CD1 3.48Å; L138-I183 HydrophobicContact CD2-CG2 4.36Å; L138-I183 HydrophobicContact CG-CD1 4.35Å; F143-I183 HydrophobicContact CB-CD1 4.14Å; F143-I183 HydrophobicContact CD1-CD1 3.82Å; F143-I183 HydrophobicContact CE1-CD1 4.47Å; F143-I183 HydrophobicContact CG-CD1 4.11Å; I158-I183 HydrophobicContact CD1-CD1 4.02Å; I158-I183 HydrophobicContact CD1-CG1 3.94Å; I179-I183 HydrophobicContact CG2-CG1 4.14Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.27Å; I179-I183 PolarHBondContact O-N 3.44Å; I180-I183 PolarHBondContact O-N 2.97Å; I183-I186 PolarHBondContact O-N 3.01Å; I183-L187 HydrophobicContact CG2-CD1 3.54Å; I183-L187 HydrophobicContact CG2-CG 4.23Å; I183-L187 WeakPolarHBondContact O-CB 3.41Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.43Å
184R95.7Very high89.1Confident79 Ų7953 Ų5330%0.29827%0.272SS..Hα-helixtrans-57.5-51.1173.5-77.7-173.4170.1122.57.4111.9D123 I124 I180 S181 C182 I186 L187 L188D123-R184 IonicContact OD1-CZ 3.26Å; D123-R184 IonicContact OD1-NE 3.13Å; D123-R184 PolarHBondContact OD1-NE 2.83Å; D123-R184 IonicContact OD1-NH2 3.86Å; D123-R184 PolarHBondContact OD1-NH2 2.78Å; D123-R184 IonicContact OD2-CZ 3.48Å; D123-R184 IonicContact OD2-NE 3.76Å; D123-R184 PolarHBondContact OD2-NE 3.48Å; D123-R184 IonicContact OD2-NH2 3.46Å; I124-R184 HydrophobicContact CD1-CB 4.34Å; I124-R184 HydrophobicContact CD1-CG 3.24Å; I124-R184 HydrophobicContact CG1-CG 3.61Å; I180-R184 HydrophobicContact CG2-CG 4.48Å; I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.29Å; S181-R184 PolarHBondContact O-N 3.12Å; C182-R184 VanDerWaalsContact C-N 3.32Å; C182-R184 PolarHBondContact O-N 3.46Å; R184-I186 VanDerWaalsContact C-N 3.26Å; R184-I186 PolarHBondContact O-N 2.99Å; R184-L187 PolarHBondContact O-N 3.13Å; R184-L188 HydrophobicContact CB-CD1 4.35Å; R184-L188 VanDerWaalsContact O-CB 3.26Å; R184-L188 WeakPolarHBondContact O-CB 3.5Å; R184-L188 WeakPolarHBondContact O-CG 3.48Å; R184-L188 PolarHBondContact O-N 3.22Å
185V94.8Very high88.7Confident30 Ų3055.8 Ų55.818%0.18229%0.29CS..Hα-helixtrans-57.1-41.7179.9168.30000111.2S181 C182 N189 T197 H200 I201S181-V185 VanDerWaalsContact O-CG2 3.32Å; S181-V185 WeakPolarHBondContact O-CG2 3.48Å; S181-V185 PolarHBondContact O-N 2.96Å; S181-V185 VanDerWaalsContact O-N 3.08Å; C182-V185 PolarHBondContact O-N 3.44Å; V185-N189 WeakPolarHBondContact O-CB 3.42Å; V185-T197 HydrophobicContact CG1-CG2 3.96Å; V185-H200 HydrophobicContact CB-CB 4.41Å; V185-H200 HydrophobicContact CG1-CB 3.54Å; V185-H200 HydrophobicContact CG2-CB 3.89Å; V185-I201 HydrophobicContact CB-CG1 4.4Å; V185-I201 HydrophobicContact CG1-CG1 3.81Å
186I93.1Very high88.4Confident7 Ų759.6 Ų59.64%0.03631%0.312CS..Hα-helixtrans-72.6-49.4-177.8-63.5162.3000111.5C137 L138 Y141 F143 C182 I183 R184 I201C137-I186 HydrophobicContact CB-CG2 4.27Å; L138-I186 HydrophobicContact CD2-CB 4.02Å; L138-I186 HydrophobicContact CD2-CD1 4.11Å; L138-I186 HydrophobicContact CD2-CG2 3.8Å; Y141-I186 HydrophobicContact CD2-CB 4.4Å; Y141-I186 HydrophobicContact CD2-CD1 3.9Å; Y141-I186 HydrophobicContact CD2-CG1 3.76Å; Y141-I186 HydrophobicContact CD2-CG2 3.73Å; Y141-I186 HydrophobicContact CE2-CG1 4.13Å; Y141-I186 HydrophobicContact CE2-CG2 3.88Å; Y141-I186 HydrophobicContact CG-CD1 4.05Å; Y141-I186 HydrophobicContact CG-CG1 4.2Å; F143-I186 HydrophobicContact CD2-CD1 3.55Å; F143-I186 HydrophobicContact CE2-CD1 3.69Å; F143-I186 HydrophobicContact CG-CD1 4.3Å; C182-I186 WeakPolarHBondContact O-CG1 3.29Å; C182-I186 PolarHBondContact O-N 2.64Å; I183-I186 PolarHBondContact O-N 3.01Å; R184-I186 VanDerWaalsContact C-N 3.26Å; R184-I186 PolarHBondContact O-N 2.99Å; I186-I201 HydrophobicContact CD1-CD1 4.12Å; I186-I201 HydrophobicContact CG1-CD1 3.75Å; I186-I201 HydrophobicContact CG1-CG1 4.23Å
187L92.8Very high88.1Confident7 Ų758.6 Ų58.64%0.03731%0.305CS..Hα-helixtrans-77.4-28.6-171.4-67.5177.2000113.6I124 L127 V128 K134 L138 I183 R184 N189I124-L187 HydrophobicContact CG2-CD1 3.51Å; L127-L187 HydrophobicContact CD2-CB 4.18Å; V128-L187 HydrophobicContact CG2-CD1 3.7Å; K134-L187 HydrophobicContact CB-CD2 4.2Å; K134-L187 WeakPolarHBondContact O-CD2 3.41Å; L138-L187 HydrophobicContact CD2-CD1 4.43Å; L138-L187 HydrophobicContact CD2-CD2 4.01Å; L138-L187 HydrophobicContact CD2-CG 3.96Å; L138-L187 HydrophobicContact CG-CD2 4.08Å; I183-L187 HydrophobicContact CG2-CD1 3.54Å; I183-L187 HydrophobicContact CG2-CG 4.23Å; I183-L187 WeakPolarHBondContact O-CB 3.41Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.43Å; R184-L187 PolarHBondContact O-N 3.13Å; L187-N189 VanDerWaalsContact C-N 3.33Å
188L89.5Confident87.9Confident97 Ų9752 Ų5251%0.50828%0.277SS..THydrogen-bonded Turntrans-86.6-4.2177.9-60.4175.3000113L127 R184L127-L188 HydrophobicContact CD2-CD2 3.72Å; R184-L188 HydrophobicContact CB-CD1 4.35Å; R184-L188 VanDerWaalsContact O-CB 3.26Å; R184-L188 WeakPolarHBondContact O-CB 3.5Å; R184-L188 WeakPolarHBondContact O-CG 3.48Å; R184-L188 PolarHBondContact O-N 3.22Å
189N85Confident87.7Confident51 Ų5156.6 Ų56.627%0.27330%0.298SS..SBendtrans-78.9147.4173.7-147.6-54.6000111.7V185 L187 G191 T197V185-N189 WeakPolarHBondContact O-CB 3.42Å; L187-N189 VanDerWaalsContact C-N 3.33Å; N189-G191 PolarHBondContact O-N 2.91Å; N189-T197 PolarHBondContact ND2-OG1 3.36Å
190K71.2Confident87.5Confident215 Ų21560.7 Ų60.794%0.93532%0.317SS*.  trans-79.335.9-171.8-66.2-172.7178-179.20114.7
191G63.2Low87.4Confident40 Ų4059.7 Ų59.741%0.41231%0.311SS..SBendtrans111.2-38.916000000116.9K140 N189K140-G191 PolarHBondContact NZ-O 3.1Å; N189-G191 PolarHBondContact O-N 2.91Å
192E68.8Low87.3Confident155 Ų15558.2 Ų58.272%0.72430%0.3SS*.SBendtrans-103.3136.1-175.3-68.9-166171.400113.8N194E192-N194 PolarHBondContact O-N 3.34Å; E192-N194 PolarHBondContact O-ND2 3.47Å
193P69.5Low87.2Confident48 Ų4863.2 Ų63.231%0.31232%0.323SS..  trans-56.6122.7167.6-19.831.5000110.7P95 K140 Y141P95-P193 HydrophobicContact CB-CB 3.84Å; P95-P193 HydrophobicContact CB-CG 4.01Å; P95-P193 HydrophobicContact CG-CB 4.01Å; K140-P193 HydrophobicContact CD-CG 3.98Å; Y141-P193 VanDerWaalsContact OH-CA 3.24Å; Y141-P193 WeakPolarHBondContact OH-CA 3.24Å; Y141-P193 WeakPolarHBondContact OH-CB 3.48Å
194N81.1Confident87.3Confident58 Ų5863.8 Ų63.831%0.3133%0.328SS..  trans-136.7161.9175.159.955.6000109.6E192 N196 T197 I198E192-N194 PolarHBondContact O-N 3.34Å; E192-N194 PolarHBondContact O-ND2 3.47Å; N194-N196 PolarHBondContact O-N 3.31Å; N194-N196 WeakPolarHBondContact OD1-CB 3.24Å; N194-N196 PolarHBondContact OD1-N 2.93Å; N194-T197 VanDerWaalsContact CG-OG1 3.27Å; N194-T197 PolarHBondContact ND2-OG1 3.14Å; N194-T197 WeakPolarHBondContact O-CB 3.3Å; N194-T197 PolarHBondContact O-N 3.04Å; N194-T197 PolarHBondContact OD1-N 3.35Å; N194-T197 PolarHBondContact OD1-OG1 2.93Å; N194-I198 PolarHBondContact O-N 3.09Å
195V85.1Confident87.4Confident108 Ų10860 Ų6066%0.65531%0.314SS*.Hα-helixtrans-55.7-35.4-178.6-1780000111.4T197 I198 H199V195-T197 PolarHBondContact O-N 2.88Å; V195-I198 PolarHBondContact O-N 3.17Å; V195-H199 WeakPolarHBondContact O-CB 3.38Å; V195-H199 PolarHBondContact O-N 3.29Å
196N89Confident87.4Confident110 Ų11060.9 Ų60.959%0.58832%0.315SS*.Hα-helixtrans-64.9-38.8177.5-62.9-20.2000112N194 H199 H200N194-N196 PolarHBondContact O-N 3.31Å; N194-N196 WeakPolarHBondContact OD1-CB 3.24Å; N194-N196 PolarHBondContact OD1-N 2.93Å; N196-H199 PolarHBondContact O-N 3.21Å; N196-H200 VanDerWaalsContact O-CG 3.25Å; N196-H200 PolarHBondContact O-N 3.35Å; N196-H200 PolarHBondContact O-ND1 3.27Å; N196-H200 VanDerWaalsContact O-ND1 3.09Å
197T90.7Very high87.5Confident0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-64.7-46.3177.7-45.90000110.5Y141 V185 N189 N194 V195 H199 H200 I201Y141-T197 HydrophobicContact CE1-CG2 4.36Å; Y141-T197 HydrophobicContact CE2-CG2 4.46Å; Y141-T197 VanDerWaalsContact OH-CG2 3.3Å; Y141-T197 WeakPolarHBondContact OH-CG2 3.36Å; V185-T197 HydrophobicContact CG1-CG2 3.96Å; N189-T197 PolarHBondContact ND2-OG1 3.36Å; N194-T197 VanDerWaalsContact CG-OG1 3.27Å; N194-T197 PolarHBondContact ND2-OG1 3.14Å; N194-T197 WeakPolarHBondContact O-CB 3.3Å; N194-T197 PolarHBondContact O-N 3.04Å; N194-T197 PolarHBondContact OD1-N 3.35Å; N194-T197 PolarHBondContact OD1-OG1 2.93Å; V195-T197 PolarHBondContact O-N 2.88Å; T197-H199 VanDerWaalsContact C-N 3.31Å; T197-H199 PolarHBondContact O-N 3.38Å; T197-H200 PolarHBondContact O-N 2.78Å; T197-I201 HydrophobicContact CG2-CD1 4.18Å; T197-I201 VanDerWaalsContact O-CG1 3.3Å; T197-I201 WeakPolarHBondContact O-CG1 3.27Å; T197-I201 PolarHBondContact O-N 2.97Å
198I91.6Very high87.6Confident13 Ų1362.4 Ų62.47%0.06733%0.326CS..Hα-helixtrans-59.2-46.3176.3-66.2170000109.9L88 F91 E92 Y141 N194 V195 H200 I201 I202L88-I198 HydrophobicContact CD1-CG2 4.06Å; F91-I198 HydrophobicContact CB-CB 4.46Å; F91-I198 HydrophobicContact CB-CG1 4.23Å; F91-I198 HydrophobicContact CB-CG2 3.69Å; F91-I198 VanDerWaalsContact O-CD1 3.31Å; F91-I198 WeakPolarHBondContact O-CD1 3.1Å; E92-I198 HydrophobicContact CG-CD1 4.12Å; Y141-I198 HydrophobicContact CE1-CG1 4.31Å; N194-I198 PolarHBondContact O-N 3.09Å; V195-I198 PolarHBondContact O-N 3.17Å; I198-H200 PolarHBondContact O-N 3.04Å; I198-I201 PolarHBondContact O-N 3.22Å; I198-I202 HydrophobicContact CG2-CD1 3.77Å; I198-I202 HydrophobicContact CG2-CG1 4.45Å; I198-I202 WeakPolarHBondContact O-CG1 3.34Å; I198-I202 PolarHBondContact O-N 2.95Å
199H92.5Very high87.9Confident102 Ų10257.8 Ų57.847%0.47230%0.302SS..Hα-helixtrans-59.4-46.4178-170.264.6000112.3V195 N196 T197 I201 I202 Q203V195-H199 WeakPolarHBondContact O-CB 3.38Å; V195-H199 PolarHBondContact O-N 3.29Å; N196-H199 PolarHBondContact O-N 3.21Å; T197-H199 VanDerWaalsContact C-N 3.31Å; T197-H199 PolarHBondContact O-N 3.38Å; H199-I201 VanDerWaalsContact C-N 3.35Å; H199-I201 PolarHBondContact O-N 3.17Å; H199-I202 PolarHBondContact O-N 2.99Å; H199-Q203 PolarHBondContact CD2-NE2 2.77Å; H199-Q203 PolarHBondContact NE2-NE2 3.42Å; H199-Q203 WeakPolarHBondContact O-CG 3.3Å; H199-Q203 PolarHBondContact O-N 3.05Å
200H94.9Very high88.3Confident86 Ų8657.4 Ų57.440%0.39830%0.299SS..Hα-helixtrans-65.9-33.8177.6-66.7143.1000113.2V185 N196 T197 I198 A204V185-H200 HydrophobicContact CB-CB 4.41Å; V185-H200 HydrophobicContact CG1-CB 3.54Å; V185-H200 HydrophobicContact CG2-CB 3.89Å; N196-H200 VanDerWaalsContact O-CG 3.25Å; N196-H200 PolarHBondContact O-N 3.35Å; N196-H200 PolarHBondContact O-ND1 3.27Å; N196-H200 VanDerWaalsContact O-ND1 3.09Å; T197-H200 PolarHBondContact O-N 2.78Å; I198-H200 PolarHBondContact O-N 3.04Å; H200-A204 WeakPolarHBondContact O-CB 3.36Å; H200-A204 PolarHBondContact O-N 2.83Å
201I95.6Very high89.3Confident0 Ų048.3 Ų48.30%026%0.262CS..Hα-helixtrans-64.7-46.7172.6-68.6166.3000110.1F91 Y141 V185 I186 T197 I198 H199 Q203 A204 I205F91-I201 HydrophobicContact CD1-CG2 4.3Å; F91-I201 HydrophobicContact CD2-CG2 4.15Å; F91-I201 HydrophobicContact CE1-CG2 3.85Å; F91-I201 HydrophobicContact CE2-CG2 3.71Å; F91-I201 HydrophobicContact CG-CG2 4.45Å; F91-I201 HydrophobicContact CZ-CG2 3.54Å; Y141-I201 HydrophobicContact CD1-CD1 3.5Å; Y141-I201 HydrophobicContact CD2-CD1 4.48Å; Y141-I201 HydrophobicContact CE1-CD1 3.73Å; Y141-I201 HydrophobicContact CG-CD1 3.9Å; V185-I201 HydrophobicContact CB-CG1 4.4Å; V185-I201 HydrophobicContact CG1-CG1 3.81Å; I186-I201 HydrophobicContact CD1-CD1 4.12Å; I186-I201 HydrophobicContact CG1-CD1 3.75Å; I186-I201 HydrophobicContact CG1-CG1 4.23Å; T197-I201 HydrophobicContact CG2-CD1 4.18Å; T197-I201 VanDerWaalsContact O-CG1 3.3Å; T197-I201 WeakPolarHBondContact O-CG1 3.27Å; T197-I201 PolarHBondContact O-N 2.97Å; I198-I201 PolarHBondContact O-N 3.22Å; H199-I201 VanDerWaalsContact C-N 3.35Å; H199-I201 PolarHBondContact O-N 3.17Å; I201-Q203 VanDerWaalsContact C-N 3.33Å; I201-Q203 PolarHBondContact O-N 3.28Å; I201-A204 WeakPolarHBondContact O-CB 3.43Å; I201-A204 PolarHBondContact O-N 3.09Å; I201-A204 VanDerWaalsContact O-N 3.13Å; I201-I205 HydrophobicContact CG2-CD1 3.59Å; I201-I205 HydrophobicContact CG2-CG1 4.44Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.39Å; I201-I205 PolarHBondContact O-N 3.02Å
202I95.6Very high90.7Very high17 Ų1749.4 Ų49.49%0.08725%0.254CS..Hα-helixtrans-62.6-42.4178.9-65.4168000110.7C87 L88 F91 I198 H199 A204 I205 H206C87-I202 HydrophobicContact CB-CG1 4.19Å; L88-I202 HydrophobicContact CB-CD1 3.97Å; L88-I202 HydrophobicContact CD1-CD1 3.67Å; L88-I202 HydrophobicContact CG-CD1 4.46Å; F91-I202 HydrophobicContact CD2-CG1 4.13Å; I198-I202 HydrophobicContact CG2-CD1 3.77Å; I198-I202 HydrophobicContact CG2-CG1 4.45Å; I198-I202 WeakPolarHBondContact O-CG1 3.34Å; I198-I202 PolarHBondContact O-N 2.95Å; H199-I202 PolarHBondContact O-N 2.99Å; I202-A204 VanDerWaalsContact C-N 3.32Å; I202-A204 PolarHBondContact O-N 3.39Å; I202-I205 PolarHBondContact O-N 3.1Å; I202-I205 VanDerWaalsContact O-N 3.16Å; I202-H206 PolarHBondContact O-N 3.32Å
203Q96Very high91.8Very high105 Ų10542 Ų4249%0.49122%0.219SC..Hα-helixtrans-58.6-42173-73.8-179-7.500112.2H199 I201 I205 H206H199-Q203 PolarHBondContact CD2-NE2 2.77Å; H199-Q203 PolarHBondContact NE2-NE2 3.42Å; H199-Q203 WeakPolarHBondContact O-CG 3.3Å; H199-Q203 PolarHBondContact O-N 3.05Å; I201-Q203 VanDerWaalsContact C-N 3.33Å; I201-Q203 PolarHBondContact O-N 3.28Å; Q203-I205 VanDerWaalsContact C-N 3.3Å; Q203-I205 PolarHBondContact O-N 3.01Å; Q203-H206 WeakPolarHBondContact O-CB 3.47Å; Q203-H206 PolarHBondContact O-N 2.92Å
204A97.4Very high92.9Very high12 Ų1241.8 Ų41.810%0.09922%0.218CC..Hα-helixtrans-64.3-34176.600000112.8T178 S181 H200 I201 I202T178-A204 VanDerWaalsContact CG2-O 3.27Å; T178-A204 WeakPolarHBondContact CG2-O 3.3Å; T178-A204 PolarHBondContact OG1-O 2.92Å; S181-A204 WeakPolarHBondContact OG-CB 3.31Å; H200-A204 WeakPolarHBondContact O-CB 3.36Å; H200-A204 PolarHBondContact O-N 2.83Å; I201-A204 WeakPolarHBondContact O-CB 3.43Å; I201-A204 PolarHBondContact O-N 3.09Å; I201-A204 VanDerWaalsContact O-N 3.13Å; I202-A204 VanDerWaalsContact C-N 3.32Å; I202-A204 PolarHBondContact O-N 3.39Å
205I97.2Very high93.3Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-81.4-23.3179.7-62.7163.3000112.1F91 I165 T178 I201 I202 Q203 P207 L208 L209F91-I205 HydrophobicContact CE2-CD1 3.47Å; F91-I205 VanDerWaalsContact CE2-CD1 3.47Å; F91-I205 HydrophobicContact CZ-CD1 3.62Å; I165-I205 HydrophobicContact CD1-CD1 3.91Å; I165-I205 HydrophobicContact CD1-CG1 4.18Å; I165-I205 HydrophobicContact CG1-CD1 3.72Å; I165-I205 HydrophobicContact CG1-CG1 4.08Å; I165-I205 HydrophobicContact CG1-CG2 4.37Å; T178-I205 HydrophobicContact CG2-CG1 4.28Å; I201-I205 HydrophobicContact CG2-CD1 3.59Å; I201-I205 HydrophobicContact CG2-CG1 4.44Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.39Å; I201-I205 PolarHBondContact O-N 3.02Å; I202-I205 PolarHBondContact O-N 3.1Å; I202-I205 VanDerWaalsContact O-N 3.16Å; Q203-I205 VanDerWaalsContact C-N 3.3Å; Q203-I205 PolarHBondContact O-N 3.01Å; I205-P207 VanDerWaalsContact C-CD 3.41Å; I205-P207 VanDerWaalsContact C-N 3.34Å; I205-P207 VanDerWaalsContact O-N 3.11Å; I205-L208 WeakPolarHBondContact O-CB 3.45Å; I205-L208 PolarHBondContact O-N 3.45Å; I205-L209 HydrophobicContact CG2-CD1 4.44Å; I205-L209 HydrophobicContact CG2-CD2 3.8Å; I205-L209 HydrophobicContact CG2-CG 3.95Å; I205-L209 PolarHBondContact O-N 2.95Å
206H96.1Very high93.7Very high47 Ų4743 Ų4322%0.21822%0.215CC..Hα-helixtrans-45.6-45-174-172.8-84000114.8E84 I202 Q203 L208 L209 E210E84-H206 IonicContact OE1-CD2 2.83Å; E84-H206 PolarHBondContact OE1-CD2 3.21Å; E84-H206 VanDerWaalsContact OE1-CD2 3.26Å; E84-H206 IonicContact OE1-NE2 3.47Å; E84-H206 PolarHBondContact OE1-NE2 3.36Å; I202-H206 PolarHBondContact O-N 3.32Å; Q203-H206 WeakPolarHBondContact O-CB 3.47Å; Q203-H206 PolarHBondContact O-N 2.92Å; H206-L208 VanDerWaalsContact C-N 3.25Å; H206-L208 PolarHBondContact O-N 3.11Å; H206-L209 WeakPolarHBondContact O-CA 3.47Å; H206-L209 WeakPolarHBondContact O-CB 3.47Å; H206-L209 PolarHBondContact O-N 3.08Å; H206-E210 VanDerWaalsContact CE1-CG 3.46Å; H206-E210 WeakPolarHBondContact CE1-CG 3.32Å; H206-E210 IonicContact CE1-OE1 3.89Å; H206-E210 PolarHBondContact CE1-OE1 3.42Å; H206-E210 IonicContact CE1-OE2 3.96Å; H206-E210 VanDerWaalsContact ND1-CD 3.26Å; H206-E210 IonicContact ND1-OE1 3.94Å; H206-E210 IonicContact ND1-OE2 3.98Å; H206-E210 PolarHBondContact ND1-OE2 3.23Å; H206-E210 PolarHBondContact O-N 3.47Å
207P94.6Very high94Very high46 Ų4638 Ų3830%0.29919%0.189SC..Hα-helixtrans-60.2-31.6178.1-25.136.4000114.3L174 I205 S211L174-P207 HydrophobicContact CD1-CB 4.04Å; L174-P207 HydrophobicContact CD2-CB 4.48Å; I205-P207 VanDerWaalsContact C-CD 3.41Å; I205-P207 VanDerWaalsContact C-N 3.34Å; I205-P207 VanDerWaalsContact O-N 3.11Å; P207-S211 WeakPolarHBondContact O-CB 3.3Å; P207-S211 PolarHBondContact O-N 3.32Å; P207-S211 VanDerWaalsContact O-N 3.1Å
208L95.7Very high94.2Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-73.9-32.3174.5-57.9-171.8000111.6I165 P166 L170 L174 F175 T178 I205 H206 R212I165-L208 HydrophobicContact CG2-CD1 3.83Å; P166-L208 HydrophobicContact CG-CB 4.27Å; L170-L208 HydrophobicContact CD1-CB 4.38Å; L170-L208 HydrophobicContact CD1-CD1 4.12Å; L170-L208 HydrophobicContact CD1-CD2 3.8Å; L170-L208 HydrophobicContact CD1-CG 4.32Å; L170-L208 HydrophobicContact CD2-CD2 3.95Å; L170-L208 HydrophobicContact CG-CD2 4.37Å; L174-L208 HydrophobicContact CB-CD2 4.48Å; L174-L208 HydrophobicContact CD2-CD2 3.82Å; L174-L208 HydrophobicContact CG-CD2 3.68Å; F175-L208 HydrophobicContact CD2-CD1 4.11Å; T178-L208 HydrophobicContact CG2-CD1 3.49Å; T178-L208 VanDerWaalsContact CG2-CD1 3.49Å; T178-L208 HydrophobicContact CG2-CG 3.86Å; I205-L208 WeakPolarHBondContact O-CB 3.45Å; I205-L208 PolarHBondContact O-N 3.45Å; H206-L208 VanDerWaalsContact C-N 3.25Å; H206-L208 PolarHBondContact O-N 3.11Å; L208-R212 WeakPolarHBondContact O-CB 3.46Å; L208-R212 PolarHBondContact O-N 2.88Å
209L94.8Very high94.2Very high0 Ų046.6 Ų46.60%022%0.223CC..Hα-helixtrans-69.9-42.7175.6-52.1-174.1000111.1L80 F83 E84 P166 I205 H206 R212 A213L80-L209 HydrophobicContact CD1-CB 3.7Å; F83-L209 HydrophobicContact CB-CB 4.42Å; F83-L209 HydrophobicContact CB-CD1 4.38Å; F83-L209 HydrophobicContact CB-CD2 4.2Å; E84-L209 HydrophobicContact CG-CD1 4.11Å; P166-L209 HydrophobicContact CG-CD2 3.87Å; I205-L209 HydrophobicContact CG2-CD1 4.44Å; I205-L209 HydrophobicContact CG2-CD2 3.8Å; I205-L209 HydrophobicContact CG2-CG 3.95Å; I205-L209 PolarHBondContact O-N 2.95Å; H206-L209 WeakPolarHBondContact O-CA 3.47Å; H206-L209 WeakPolarHBondContact O-CB 3.47Å; H206-L209 PolarHBondContact O-N 3.08Å; L209-R212 PolarHBondContact O-N 3.47Å; L209-A213 VanDerWaalsContact O-CB 3.31Å; L209-A213 WeakPolarHBondContact O-CB 3.28Å; L209-A213 PolarHBondContact O-N 3.18Å
210E93.2Very high93.9Very high44 Ų4446.2 Ų46.221%0.20622%0.22CC..Hα-helixtrans-58.9-47.8173.3-70.1178.4129.900110.8L80 H206 R212 A213 C214 A246L80-E210 HydrophobicContact CD1-CG 4.1Å; L80-E210 HydrophobicContact CD2-CG 4.19Å; H206-E210 VanDerWaalsContact CE1-CG 3.46Å; H206-E210 WeakPolarHBondContact CE1-CG 3.32Å; H206-E210 IonicContact CE1-OE1 3.89Å; H206-E210 PolarHBondContact CE1-OE1 3.42Å; H206-E210 IonicContact CE1-OE2 3.96Å; H206-E210 VanDerWaalsContact ND1-CD 3.26Å; H206-E210 IonicContact ND1-OE1 3.94Å; H206-E210 IonicContact ND1-OE2 3.98Å; H206-E210 PolarHBondContact ND1-OE2 3.23Å; H206-E210 PolarHBondContact O-N 3.47Å; E210-R212 PolarHBondContact O-N 3.03Å; E210-A213 PolarHBondContact O-N 2.96Å; E210-C214 WeakPolarHBondContact O-CB 3.46Å; E210-C214 PolarHBondContact O-N 3.37Å; E210-A246 HydrophobicContact CG-CB 4.4Å
211S92.1Very high93.7Very high23 Ų2344 Ų4416%0.16122%0.22CC..Hα-helixtrans-59.5-46.9176.5-170.80000111.4P207 A213 C214 H215P207-S211 WeakPolarHBondContact O-CB 3.3Å; P207-S211 PolarHBondContact O-N 3.32Å; P207-S211 VanDerWaalsContact O-N 3.1Å; S211-A213 PolarHBondContact O-N 3.48Å; S211-C214 PolarHBondContact O-N 2.93Å; S211-H215 PolarHBondContact O-N 3.24Å; S211-H215 VanDerWaalsContact O-N 3.08Å; S211-H215 PolarHBondContact O-ND1 3.41Å
212R92.9Very high93.7Very high64 Ų6446.2 Ų46.224%0.24224%0.235CC..Hα-helixtrans-60.4-43.8176.4-178.3-177.5170.1-170.9-5.9111.9F83 E86 P166 L208 L209 E210 H215 Q216F83-R212 HydrophobicContact CD2-CG 4.25Å; F83-R212 VanDerWaalsContact CE1-CZ 3.47Å; F83-R212 HydrophobicContact CE2-CB 4.24Å; F83-R212 HydrophobicContact CE2-CG 3.69Å; F83-R212 HydrophobicContact CZ-CG 4.1Å; E86-R212 IonicContact OE2-NH1 3.61Å; P166-R212 HydrophobicContact CB-CB 4.28Å; P166-R212 HydrophobicContact CG-CB 4.15Å; P166-R212 HydrophobicContact CG-CG 4.49Å; L208-R212 WeakPolarHBondContact O-CB 3.46Å; L208-R212 PolarHBondContact O-N 2.88Å; L209-R212 PolarHBondContact O-N 3.47Å; E210-R212 PolarHBondContact O-N 3.03Å; R212-H215 PolarHBondContact O-N 3.35Å; R212-Q216 VanDerWaalsContact NE-NE2 3.19Å; R212-Q216 WeakPolarHBondContact O-CB 3.47Å; R212-Q216 WeakPolarHBondContact O-CG 3.46Å; R212-Q216 PolarHBondContact O-N 3.31Å; R212-Q216 VanDerWaalsContact O-N 3.11Å
213A93.2Very high93.7Very high0 Ų053.4 Ų53.40%027%0.266CS..Hα-helixtrans-63.4-45.8179.200000111.4L79 L80 F83 L209 E210 S211 H215 Q216 A217L79-A213 HydrophobicContact CB-CB 3.98Å; L80-A213 HydrophobicContact CB-CB 4.22Å; F83-A213 HydrophobicContact CD2-CB 4.32Å; F83-A213 HydrophobicContact CE2-CB 4.13Å; L209-A213 VanDerWaalsContact O-CB 3.31Å; L209-A213 WeakPolarHBondContact O-CB 3.28Å; L209-A213 PolarHBondContact O-N 3.18Å; E210-A213 PolarHBondContact O-N 2.96Å; S211-A213 PolarHBondContact O-N 3.48Å; A213-H215 VanDerWaalsContact C-N 3.34Å; A213-H215 PolarHBondContact O-N 3.48Å; A213-Q216 PolarHBondContact O-N 2.95Å; A213-A217 VanDerWaalsContact O-CB 3.25Å; A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 2.67Å
214C90.7Very high93.8Very high43 Ų4349.1 Ų49.129%0.29125%0.246SC..Hα-helixtrans-58.5-44.3176.8-1730000112.3E76 E210 S211 Q216E76-C214 VanDerWaalsContact OE1-CA 3.28Å; E76-C214 WeakPolarHBondContact OE1-CA 3.43Å; E76-C214 VanDerWaalsContact OE1-CB 3.26Å; E76-C214 WeakPolarHBondContact OE1-CB 3.21Å; E76-C214 PolarHBondContact OE1-SG 3.14Å; E210-C214 WeakPolarHBondContact O-CB 3.46Å; E210-C214 PolarHBondContact O-N 3.37Å; S211-C214 PolarHBondContact O-N 2.93Å; C214-Q216 PolarHBondContact O-N 3.47Å
215H90.8Very high93.8Very high87 Ų8752.6 Ų52.640%0.40326%0.264SS..Hα-helixtrans-68.3-33180-75.787.7000113.6S211 R212 A213S211-H215 PolarHBondContact O-N 3.24Å; S211-H215 VanDerWaalsContact O-N 3.08Å; S211-H215 PolarHBondContact O-ND1 3.41Å; R212-H215 PolarHBondContact O-N 3.35Å; A213-H215 VanDerWaalsContact C-N 3.34Å; A213-H215 PolarHBondContact O-N 3.48Å
216Q93.1Very high93.9Very high104 Ų10458.3 Ų58.349%0.48629%0.288SS..Hα-helixtrans-92.4-15.7-177.7-67-171.533.200113.8L79 R212 A213 C214L79-Q216 HydrophobicContact CD1-CB 3.88Å; R212-Q216 VanDerWaalsContact NE-NE2 3.19Å; R212-Q216 WeakPolarHBondContact O-CB 3.47Å; R212-Q216 WeakPolarHBondContact O-CG 3.46Å; R212-Q216 PolarHBondContact O-N 3.31Å; R212-Q216 VanDerWaalsContact O-N 3.11Å; A213-Q216 PolarHBondContact O-N 2.95Å; C214-Q216 PolarHBondContact O-N 3.47Å
217A94.8Very high94Very high5 Ų564.1 Ų64.14%0.04131%0.313CS..SBendtrans-62.4157.1-178.300000112.4H75 E76 L79 A213 R219H75-A217 HydrophobicContact CB-CB 4.2Å; H75-A217 WeakPolarHBondContact ND1-CA 3.49Å; E76-A217 HydrophobicContact CB-CB 4.33Å; E76-A217 HydrophobicContact CG-CB 3.46Å; E76-A217 VanDerWaalsContact CG-CB 3.46Å; L79-A217 HydrophobicContact CD1-CB 4.26Å; A213-A217 VanDerWaalsContact O-CB 3.25Å; A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 2.67Å; A217-R219 PolarHBondContact O-N 3.2Å
218I95.4Very high94.1Very high38 Ų3866.4 Ų66.420%0.19532%0.32CS..PPolyproline II helixtrans-62.7127.1177.1-74.8155.6000106.7Q71 H72 H75 L224 L232Q71-I218 HydrophobicContact CG-CG2 4.1Å; H72-I218 WeakPolarHBondContact CA-O 3.37Å; H72-I218 WeakPolarHBondContact CB-O 3.28Å; H72-I218 PolarHBondContact ND1-O 3.16Å; H75-I218 HydrophobicContact CB-CB 4.35Å; H75-I218 HydrophobicContact CB-CD1 4.24Å; H75-I218 HydrophobicContact CB-CG1 4.45Å; H75-I218 WeakPolarHBondContact ND1-CG1 3.43Å; H75-I218 PolarHBondContact ND1-N 3.4Å; I218-L224 HydrophobicContact CD1-CD1 4.27Å; I218-L224 HydrophobicContact CD1-CD2 4.05Å; I218-L224 HydrophobicContact CG1-CD2 4.49Å; I218-L224 HydrophobicContact CG2-CD1 4.43Å; I218-L224 HydrophobicContact CG2-CD2 4.19Å; I218-L232 HydrophobicContact CD1-CD1 4.16Å; I218-L232 HydrophobicContact CD1-CD2 4.33Å
219R91.3Very high94.3Very high156 Ų15666.9 Ų66.959%0.58932%0.322SS*.PPolyproline II helixtrans-77.7151.8-177.2-58.3-135.5176.5174.20.3111.3Q71 A217 G221 S222Q71-R219 PolarHBondContact NE2-O 2.7Å; A217-R219 PolarHBondContact O-N 3.2Å; R219-G221 PolarHBondContact O-N 3.22Å; R219-S222 PolarHBondContact N-OG 2.94Å; R219-S222 WeakPolarHBondContact O-CB 3.4Å; R219-S222 PolarHBondContact O-N 3.17Å; R219-S222 VanDerWaalsContact O-N 3.1Å; R219-S222 PolarHBondContact O-OG 3.32Å
220F86.8Confident94.4Very high94 Ų9470.7 Ų70.741%0.41234%0.34SS..THydrogen-bonded Turntrans-51.1136.3162.2-81.1-82.2000110.5K33 D70 H72 S222K33-F220 HydrophobicContact CB-CD1 3.65Å; K33-F220 HydrophobicContact CB-CE1 3.85Å; K33-F220 HydrophobicContact CD-CD1 3.7Å; K33-F220 HydrophobicContact CD-CE1 4.16Å; K33-F220 HydrophobicContact CG-CD1 3.59Å; K33-F220 HydrophobicContact CG-CE1 4.2Å; D70-F220 WeakPolarHBondContact OD2-CZ 3.28Å; H72-F220 HydrophobicContact CB-CD2 3.91Å; H72-F220 HydrophobicContact CB-CE2 3.67Å; H72-F220 HydrophobicContact CB-CZ 4.26Å; F220-S222 VanDerWaalsContact C-N 3.29Å; F220-S222 PolarHBondContact O-N 3.25Å
221G89.8Confident94.7Very high40 Ų4073.9 Ų73.941%0.41235%0.353SS..THydrogen-bonded Turntrans87.2-10.9-177.500000114.5K32 R219 K223K32-G221 VanDerWaalsContact CD-O 3.27Å; K32-G221 WeakPolarHBondContact CD-O 3.39Å; K32-G221 WeakPolarHBondContact O-CA 3.5Å; K32-G221 PolarHBondContact O-N 2.97Å; R219-G221 PolarHBondContact O-N 3.22Å; G221-K223 PolarHBondContact O-N 3.33Å
222S95.5Very high95Very high45 Ų4573.1 Ų73.132%0.31535%0.347SS..  trans-69.8122.5175.5-53.60000110Q29 Q71 R219 F220Q29-S222 PolarHBondContact NE2-O 3.08Å; Q71-S222 PolarHBondContact NE2-O 3.45Å; Q71-S222 VanDerWaalsContact NE2-O 3.11Å; R219-S222 PolarHBondContact N-OG 2.94Å; R219-S222 WeakPolarHBondContact O-CB 3.4Å; R219-S222 PolarHBondContact O-N 3.17Å; R219-S222 VanDerWaalsContact O-N 3.1Å; R219-S222 PolarHBondContact O-OG 3.32Å; F220-S222 VanDerWaalsContact C-N 3.29Å; F220-S222 PolarHBondContact O-N 3.25Å
223K97.2Very high95.2Very high169 Ų16970.4 Ų70.474%0.73534%0.337SS*.  trans-74.3130.1175.4-171.8177.7-178.5179.70109.8K32 G221K32-K223 HydrophobicContact CD-CB 4.32Å; G221-K223 PolarHBondContact O-N 3.33Å
224L98.1Very high95.4Very high14 Ų1473.8 Ų73.87%0.07336%0.358CS..  trans-112.1136175.5-60.6178.4000109.7I35 Q71 I218 Q228 M229I35-L224 HydrophobicContact CD1-CD1 4.19Å; Q71-L224 HydrophobicContact CB-CD1 4.35Å; I218-L224 HydrophobicContact CD1-CD1 4.27Å; I218-L224 HydrophobicContact CD1-CD2 4.05Å; I218-L224 HydrophobicContact CG1-CD2 4.49Å; I218-L224 HydrophobicContact CG2-CD1 4.43Å; I218-L224 HydrophobicContact CG2-CD2 4.19Å; L224-Q228 HydrophobicContact CB-CB 4.28Å; L224-Q228 HydrophobicContact CD2-CB 4.28Å; L224-M229 HydrophobicContact CB-CG 3.68Å; L224-M229 HydrophobicContact CD1-CG 4.2Å
225N97.4Very high95.8Very high86 Ų8673.2 Ų73.246%0.4635%0.352SS..  trans-78.2168.1168.272.443.1000110.8K227 Q228 M229N225-K227 VanDerWaalsContact C-N 3.35Å; N225-K227 PolarHBondContact O-N 2.88Å; N225-K227 WeakPolarHBondContact OD1-CB 3.43Å; N225-K227 PolarHBondContact OD1-N 2.83Å; N225-K227 VanDerWaalsContact OD1-N 3.1Å; N225-Q228 VanDerWaalsContact CG-OE1 3.28Å; N225-Q228 PolarHBondContact ND2-OE1 3.04Å; N225-Q228 PolarHBondContact O-N 2.96Å; N225-Q228 VanDerWaalsContact O-N 3.17Å; N225-Q228 WeakPolarHBondContact OD1-CG 3.37Å; N225-Q228 PolarHBondContact OD1-N 2.83Å; N225-M229 PolarHBondContact O-N 2.67Å
226K97.4Very high96.1Very high120 Ų12069.1 Ų69.152%0.52233%0.333SS..Hα-helixtrans-56.8-44.3-176.8-171.4172.8177.3-179.60113.2Q228 M229 E230K226-Q228 VanDerWaalsContact C-N 3.35Å; K226-Q228 PolarHBondContact O-N 3.47Å; K226-M229 HydrophobicContact CB-CE 4.44Å; K226-M229 PolarHBondContact O-N 3.36Å; K226-E230 WeakPolarHBondContact CE-OE1 3.21Å; K226-E230 HydrophobicContact CG-CG 4.43Å; K226-E230 WeakPolarHBondContact O-CG 3.42Å; K226-E230 PolarHBondContact O-N 2.9Å
227K98.2Very high96.2Very high169 Ų16964.2 Ų64.274%0.73531%0.31SS*.Hα-helixtrans-62-40.7178.2-66-175.6177.9-178.60112.2N225 K231N225-K227 VanDerWaalsContact C-N 3.35Å; N225-K227 PolarHBondContact O-N 2.88Å; N225-K227 WeakPolarHBondContact OD1-CB 3.43Å; N225-K227 PolarHBondContact OD1-N 2.83Å; N225-K227 VanDerWaalsContact OD1-N 3.1Å; K227-K231 VanDerWaalsContact O-CB 3.29Å; K227-K231 WeakPolarHBondContact O-CB 3.39Å; K227-K231 PolarHBondContact O-N 3.19Å
228Q98.4Very high96.2Very high94 Ų9472.6 Ų72.644%0.43934%0.341SS..Hα-helixtrans-65.7-42.6177.1-71.9170.8-48.500111.5L224 N225 K226 K231 L232L224-Q228 HydrophobicContact CB-CB 4.28Å; L224-Q228 HydrophobicContact CD2-CB 4.28Å; N225-Q228 VanDerWaalsContact CG-OE1 3.28Å; N225-Q228 PolarHBondContact ND2-OE1 3.04Å; N225-Q228 PolarHBondContact O-N 2.96Å; N225-Q228 VanDerWaalsContact O-N 3.17Å; N225-Q228 WeakPolarHBondContact OD1-CG 3.37Å; N225-Q228 PolarHBondContact OD1-N 2.83Å; K226-Q228 VanDerWaalsContact C-N 3.35Å; K226-Q228 PolarHBondContact O-N 3.47Å; Q228-K231 PolarHBondContact O-N 3.04Å; Q228-L232 WeakPolarHBondContact O-CB 3.07Å; Q228-L232 PolarHBondContact O-N 2.84Å
229M98.6Very high96.2Very high10 Ų1071.4 Ų71.45%0.04934%0.336CS..Hα-helixtrans-62.6-49.3175.6-68.3-172.6-73.400111.4V26 G28 Q29 I35 L224 N225 K226 K231 L232 I233V26-M229 HydrophobicContact CG1-CB 3.84Å; V26-M229 HydrophobicContact CG1-CE 4.2Å; V26-M229 HydrophobicContact CG1-SD 4.28Å; G28-M229 VanDerWaalsContact C-SD 3.57Å; Q29-M229 HydrophobicContact CB-CE 4.39Å; Q29-M229 HydrophobicContact CB-SD 3.6Å; Q29-M229 HydrophobicContact CG-SD 4.2Å; Q29-M229 PolarHBondContact N-SD 3.22Å; I35-M229 HydrophobicContact CD1-CB 3.96Å; I35-M229 HydrophobicContact CD1-CG 3.87Å; I35-M229 HydrophobicContact CG1-CB 4.42Å; I35-M229 HydrophobicContact CG1-CG 3.99Å; I35-M229 HydrophobicContact CG1-SD 4.15Å; I35-M229 HydrophobicContact CG2-CB 4.09Å; I35-M229 HydrophobicContact CG2-CG 4.29Å; I35-M229 HydrophobicContact CG2-SD 4.04Å; L224-M229 HydrophobicContact CB-CG 3.68Å; L224-M229 HydrophobicContact CD1-CG 4.2Å; N225-M229 PolarHBondContact O-N 2.67Å; K226-M229 HydrophobicContact CB-CE 4.44Å; K226-M229 PolarHBondContact O-N 3.36Å; M229-K231 VanDerWaalsContact C-N 3.34Å; M229-K231 PolarHBondContact O-N 3.14Å; M229-L232 WeakPolarHBondContact O-CB 3.48Å; M229-L232 PolarHBondContact O-N 3.14Å; M229-L232 VanDerWaalsContact O-N 3.15Å; M229-I233 WeakPolarHBondContact O-CG1 3.49Å; M229-I233 PolarHBondContact O-N 2.98Å
230E98.4Very high96.2Very high79 Ų7969.8 Ų69.837%0.36933%0.33SS..Hα-helixtrans-57.7-45.9177.3-72.1167.6167.900111.7V26 K226 L232 I233 V234V26-E230 HydrophobicContact CB-CG 4.04Å; V26-E230 HydrophobicContact CG2-CB 4.47Å; V26-E230 HydrophobicContact CG2-CG 3.77Å; K226-E230 WeakPolarHBondContact CE-OE1 3.21Å; K226-E230 HydrophobicContact CG-CG 4.43Å; K226-E230 WeakPolarHBondContact O-CG 3.42Å; K226-E230 PolarHBondContact O-N 2.9Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 3.06Å; E230-I233 PolarHBondContact O-N 2.92Å; E230-V234 WeakPolarHBondContact O-CG2 3.41Å; E230-V234 PolarHBondContact O-N 2.96Å
231K98.3Very high96.5Very high111 Ų11166.6 Ų66.648%0.48332%0.317SS..Hα-helixtrans-58.3-45.4175.3-177.365.2167.773.70111.7K227 Q228 M229 I233 V234 D235K227-K231 VanDerWaalsContact O-CB 3.29Å; K227-K231 WeakPolarHBondContact O-CB 3.39Å; K227-K231 PolarHBondContact O-N 3.19Å; Q228-K231 PolarHBondContact O-N 3.04Å; M229-K231 VanDerWaalsContact C-N 3.34Å; M229-K231 PolarHBondContact O-N 3.14Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3.09Å; K231-V234 PolarHBondContact O-N 3.34Å; K231-D235 IonicContact NZ-OD1 3.57Å; K231-D235 PolarHBondContact NZ-OD1 3.28Å; K231-D235 IonicContact NZ-OD2 3.35Å; K231-D235 PolarHBondContact NZ-OD2 2.62Å; K231-D235 WeakPolarHBondContact O-CB 3.26Å; K231-D235 VanDerWaalsContact O-CG 3.26Å; K231-D235 PolarHBondContact O-N 2.85Å
232L98.3Very high96.7Very high8 Ų864.7 Ų64.74%0.04230%0.297CS..Hα-helixtrans-61.6-42179.9-167.771.5000111.6I35 Q71 A74 H75 I78 I218 Q228 M229 E230 D235 L236I35-L232 HydrophobicContact CD1-CB 4.37Å; I35-L232 HydrophobicContact CD1-CD2 3.61Å; Q71-L232 HydrophobicContact CB-CD2 4.3Å; A74-L232 HydrophobicContact CB-CD2 4.18Å; A74-L232 HydrophobicContact CB-CG 4.42Å; H75-L232 HydrophobicContact CB-CD1 3.86Å; I78-L232 HydrophobicContact CD1-CD1 3.53Å; I78-L232 HydrophobicContact CD1-CG 4.14Å; I78-L232 WeakPolarHBondContact CD1-O 3.4Å; I218-L232 HydrophobicContact CD1-CD1 4.16Å; I218-L232 HydrophobicContact CD1-CD2 4.33Å; Q228-L232 WeakPolarHBondContact O-CB 3.07Å; Q228-L232 PolarHBondContact O-N 2.84Å; M229-L232 WeakPolarHBondContact O-CB 3.48Å; M229-L232 PolarHBondContact O-N 3.14Å; M229-L232 VanDerWaalsContact O-N 3.15Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 3.06Å; L232-D235 PolarHBondContact O-N 3.21Å; L232-L236 VanDerWaalsContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-L236 PolarHBondContact O-N 2.86Å
233I97.9Very high96.6Very high6 Ų663 Ų633%0.03128%0.284CS..Hα-helixtrans-68.4-40.9177.7-60.3-51.4000111.8V26 I35 L37 V69 M229 E230 K231 D235 L236 A237V26-I233 HydrophobicContact CG2-CG1 4.09Å; I35-I233 HydrophobicContact CD1-CD1 4.31Å; I35-I233 HydrophobicContact CG2-CD1 4.33Å; I35-I233 HydrophobicContact CG2-CG1 4.36Å; L37-I233 HydrophobicContact CD1-CD1 3.95Å; L37-I233 HydrophobicContact CD1-CG1 4.26Å; L37-I233 HydrophobicContact CD1-CG2 4.11Å; L37-I233 HydrophobicContact CD2-CD1 4.02Å; L37-I233 HydrophobicContact CD2-CG1 3.75Å; L37-I233 HydrophobicContact CG-CD1 4.46Å; V69-I233 HydrophobicContact CB-CD1 4.21Å; V69-I233 HydrophobicContact CG1-CD1 4.05Å; V69-I233 HydrophobicContact CG2-CD1 4.05Å; M229-I233 WeakPolarHBondContact O-CG1 3.49Å; M229-I233 PolarHBondContact O-N 2.98Å; E230-I233 PolarHBondContact O-N 2.92Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3.09Å; I233-D235 VanDerWaalsContact C-N 3.35Å; I233-L236 PolarHBondContact O-N 2.84Å; I233-A237 WeakPolarHBondContact O-CB 3.5Å; I233-A237 PolarHBondContact O-N 2.99Å
234V97.8Very high96.3Very high71 Ų7158.4 Ų58.443%0.4327%0.265SS..Hα-helixtrans-61-45.1175.4167.60000111E230 K231 A237 R238E230-V234 WeakPolarHBondContact O-CG2 3.41Å; E230-V234 PolarHBondContact O-N 2.96Å; K231-V234 PolarHBondContact O-N 3.34Å; V234-A237 PolarHBondContact O-N 2.86Å; V234-R238 WeakPolarHBondContact O-CG 3.33Å; V234-R238 PolarHBondContact O-N 2.99Å
235D98.1Very high95.7Very high32 Ų3257.9 Ų57.917%0.17126%0.263CS..Hα-helixtrans-66.8-42.9177.6-68.5-20.8000111.3I78 K231 L232 I233 A237 R238 C239I78-D235 HydrophobicContact CD1-CB 3.71Å; I78-D235 HydrophobicContact CG1-CB 4.08Å; I78-D235 HydrophobicContact CG2-CB 4.07Å; K231-D235 IonicContact NZ-OD1 3.57Å; K231-D235 PolarHBondContact NZ-OD1 3.28Å; K231-D235 IonicContact NZ-OD2 3.35Å; K231-D235 PolarHBondContact NZ-OD2 2.62Å; K231-D235 WeakPolarHBondContact O-CB 3.26Å; K231-D235 VanDerWaalsContact O-CG 3.26Å; K231-D235 PolarHBondContact O-N 2.85Å; L232-D235 PolarHBondContact O-N 3.21Å; I233-D235 VanDerWaalsContact C-N 3.35Å; D235-A237 VanDerWaalsContact C-N 3.28Å; D235-A237 PolarHBondContact O-N 2.82Å; D235-R238 WeakPolarHBondContact O-CB 3.24Å; D235-R238 PolarHBondContact O-N 3.22Å; D235-R238 IonicContact OD1-NH1 3.82Å; D235-C239 PolarHBondContact O-N 3.21Å
236L96.6Very high95Very high0 Ų054.2 Ų54.20%024%0.244CC..Hα-helixtrans-57.3-44.7175.6-173.764.1000110.4L21 V69 A74 R77 I78 L232 I233 R238 C239 P242 T251L21-L236 HydrophobicContact CD1-CD2 4.41Å; V69-L236 HydrophobicContact CG1-CD2 3.95Å; A74-L236 HydrophobicContact CB-CD1 4.14Å; A74-L236 HydrophobicContact CB-CD2 3.9Å; R77-L236 HydrophobicContact CB-CD1 4.44Å; R77-L236 HydrophobicContact CG-CD1 4.28Å; I78-L236 HydrophobicContact CD1-CB 4.08Å; I78-L236 HydrophobicContact CG1-CB 4.38Å; I78-L236 HydrophobicContact CG1-CD1 4.35Å; L232-L236 VanDerWaalsContact O-CB 3.28Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-L236 PolarHBondContact O-N 2.86Å; I233-L236 PolarHBondContact O-N 2.84Å; L236-R238 PolarHBondContact O-N 2.98Å; L236-R238 VanDerWaalsContact O-N 3.11Å; L236-C239 VanDerWaalsContact O-CB 3.24Å; L236-C239 WeakPolarHBondContact O-CB 3.49Å; L236-C239 PolarHBondContact O-N 3.39Å; L236-P242 HydrophobicContact CD1-CB 4.13Å; L236-P242 WeakPolarHBondContact CD1-O 3.4Å; L236-P242 HydrophobicContact CG-CB 4.01Å; L236-P242 WeakPolarHBondContact O-CB 3.37Å; L236-T251 HydrophobicContact CD1-CG2 4.27Å; L236-T251 HydrophobicContact CD2-CG2 3.91Å
237A95.4Very high94.2Very high2 Ų253.3 Ų53.32%0.01724%0.242CC..THydrogen-bonded Turntrans-69.1-6.2179.200000114.8V18 L21 R22 I233 V234 D235V18-A237 HydrophobicContact CG1-CB 4.5Å; V18-A237 WeakPolarHBondContact CG1-O 3.33Å; L21-A237 HydrophobicContact CB-CB 3.97Å; R22-A237 HydrophobicContact CG-CB 3.72Å; I233-A237 WeakPolarHBondContact O-CB 3.5Å; I233-A237 PolarHBondContact O-N 2.99Å; V234-A237 PolarHBondContact O-N 2.86Å; D235-A237 VanDerWaalsContact C-N 3.28Å; D235-A237 PolarHBondContact O-N 2.82Å
238R95.5Very high93.4Very high180 Ų18047.2 Ų47.268%0.67923%0.227SC*.THydrogen-bonded Turntrans-93.1-16.7170.9-68168.3176.6-179.8-4112.6V234 D235 L236V234-R238 WeakPolarHBondContact O-CG 3.33Å; V234-R238 PolarHBondContact O-N 2.99Å; D235-R238 WeakPolarHBondContact O-CB 3.24Å; D235-R238 PolarHBondContact O-N 3.22Å; D235-R238 IonicContact OD1-NH1 3.82Å; L236-R238 PolarHBondContact O-N 2.98Å; L236-R238 VanDerWaalsContact O-N 3.11Å
239C95.1Very high92.9Very high13 Ų1351.7 Ų51.79%0.08824%0.24CC..SBendtrans-64.9148176.6-63.10000111.5R77 E81 D235 L236 I241 P242R77-C239 HydrophobicContact CG-CB 4.27Å; E81-C239 WeakPolarHBondContact OE1-CB 3.37Å; E81-C239 WeakPolarHBondContact OE2-CA 3.42Å; D235-C239 PolarHBondContact O-N 3.21Å; L236-C239 VanDerWaalsContact O-CB 3.24Å; L236-C239 WeakPolarHBondContact O-CB 3.49Å; L236-C239 PolarHBondContact O-N 3.39Å; C239-I241 VanDerWaalsContact C-N 3.34Å; C239-P242 HydrophobicContact CB-CB 4.25Å
240R92.3Very high92.5Very high123 Ų12355.4 Ų55.446%0.46427%0.265SS..SBendtrans-66.7-35.4173.4-179.8175.563121.30.1111.7M1 E81M1-R240 HydrophobicContact CE-CG 3.85Å; M1-R240 HydrophobicContact CG-CG 3.95Å; M1-R240 HydrophobicContact SD-CG 3.97Å; E81-R240 VanDerWaalsContact CD-N 3.3Å; E81-R240 PolarHBondContact OE1-N 3.4Å; E81-R240 PolarHBondContact OE2-N 3.32Å
241I91.3Very high92.2Very high27 Ų2751.7 Ų51.714%0.13825%0.247CC..SBendtrans-128.568.8-178-46.3178000109.9L2 R77 E81 C239 F243 Q244L2-I241 HydrophobicContact CB-CG2 4.39Å; L2-I241 HydrophobicContact CD1-CG2 4.14Å; R77-I241 VanDerWaalsContact CD-O 3.25Å; R77-I241 WeakPolarHBondContact CD-O 3.01Å; R77-I241 WeakPolarHBondContact CG-O 3.07Å; R77-I241 PolarHBondContact NE-O 2.67Å; E81-I241 PolarHBondContact OE1-N 3.44Å; C239-I241 VanDerWaalsContact C-N 3.34Å; I241-F243 VanDerWaalsContact C-N 3.31Å; I241-F243 PolarHBondContact O-N 3.07Å; I241-Q244 HydrophobicContact CG2-CB 3.98Å; I241-Q244 HydrophobicContact CG2-CG 4.33Å
242P94.1Very high92.1Very high0 Ų046.9 Ų46.90%023%0.227CC..THydrogen-bonded Turntrans-76.5-16.6-17031-35.4000114.4V18 L21 L236 C239 T251V18-P242 HydrophobicContact CG2-CG 3.86Å; L21-P242 HydrophobicContact CD1-CB 4.12Å; L21-P242 HydrophobicContact CD1-CG 4.43Å; L236-P242 HydrophobicContact CD1-CB 4.13Å; L236-P242 WeakPolarHBondContact CD1-O 3.4Å; L236-P242 HydrophobicContact CG-CB 4.01Å; L236-P242 WeakPolarHBondContact O-CB 3.37Å; C239-P242 HydrophobicContact CB-CB 4.25Å; P242-T251 WeakPolarHBondContact O-CB 3.15Å
243F93.4Very high91.8Very high9 Ų950.1 Ų50.14%0.03925%0.248CC..THydrogen-bonded Turntrans-94.82.4-175.1-57.4-63.6000113.8T5 L16 T17 V18 L21 I241 P250 T251 C252T5-F243 HydrophobicContact CG2-CB 4.04Å; T5-F243 HydrophobicContact CG2-CD1 3.75Å; T5-F243 HydrophobicContact CG2-CD2 4.39Å; T5-F243 HydrophobicContact CG2-CE1 4.33Å; T5-F243 HydrophobicContact CG2-CG 3.79Å; L16-F243 HydrophobicContact CB-CE1 4.46Å; L16-F243 HydrophobicContact CD2-CD1 3.99Å; L16-F243 HydrophobicContact CD2-CE1 3.48Å; L16-F243 VanDerWaalsContact CD2-CE1 3.48Å; L16-F243 HydrophobicContact CD2-CZ 4.37Å; L16-F243 HydrophobicContact CG-CD1 4.46Å; L16-F243 HydrophobicContact CG-CE1 3.63Å; L16-F243 HydrophobicContact CG-CZ 4.04Å; T17-F243 VanDerWaalsContact C-CZ 3.5Å; V18-F243 HydrophobicContact CG2-CE2 4.17Å; L21-F243 HydrophobicContact CD1-CD1 4.22Å; L21-F243 HydrophobicContact CD1-CE1 3.37Å; L21-F243 HydrophobicContact CD1-CZ 3.67Å; L21-F243 HydrophobicContact CD2-CE1 4.28Å; L21-F243 HydrophobicContact CG-CE1 3.73Å; L21-F243 HydrophobicContact CG-CZ 4Å; I241-F243 VanDerWaalsContact C-N 3.31Å; I241-F243 PolarHBondContact O-N 3.07Å; F243-P250 WeakPolarHBondContact O-CA 3.41Å; F243-T251 PolarHBondContact O-N 3.23Å; F243-C252 HydrophobicContact CD1-CB 4.1Å
244Q90.9Very high91.4Very high72 Ų7251.1 Ų51.134%0.33625%0.253SS..BIsolated β-bridgetrans-130135.8176.4-66.2176.2-22.300110R77 I241 R249 T251R77-Q244 PolarHBondContact NE-O 2.88Å; I241-Q244 HydrophobicContact CG2-CB 3.98Å; I241-Q244 HydrophobicContact CG2-CG 4.33Å; Q244-R249 CarbonylContact C-O 3.51Å; Q244-R249 VanDerWaalsContact CA-O 3.29Å; Q244-R249 WeakPolarHBondContact CA-O 3.38Å; Q244-T251 PolarHBondContact N-OG1 3.11Å
245C86.3Confident91.1Very high3 Ų352.6 Ų52.62%0.0226%0.257CS..  trans-69.1176.2171.881.50000110.8A73 R77 H247 G248 R249 T251A73-C245 HydrophobicContact CB-CB 3.65Å; R77-C245 PolarHBondContact NH2-O 3.49Å; C245-H247 PolarHBondContact O-N 3.44Å; C245-H247 VanDerWaalsContact O-N 3.15Å; C245-H247 PolarHBondContact SG-N 3.29Å; C245-G248 PolarHBondContact O-N 2.88Å; C245-R249 PolarHBondContact N-O 2.84Å; C245-R249 PolarHBondContact SG-N 2.82Å; C245-R249 VanDerWaalsContact SG-N 3.39Å; C245-T251 PolarHBondContact N-OG1 2.94Å; C245-T251 VanDerWaalsContact N-OG1 3.07Å
246A82.2Confident90.6Very high9 Ų957.6 Ų57.67%0.07428%0.278CS..THydrogen-bonded Turntrans-49.8-38.9174.600000112.2E76 L80 E210 G248E76-A246 HydrophobicContact CB-CB 4.4Å; L80-A246 HydrophobicContact CD2-CB 3.68Å; E210-A246 HydrophobicContact CG-CB 4.4Å; A246-G248 PolarHBondContact O-N 3.3Å
247H81.5Confident90.2Very high101 Ų10159.6 Ų59.647%0.46829%0.288SS..THydrogen-bonded Turntrans-92.613.1-176.5-46.699.3000114.6E76 C245 R249E76-H247 IonicContact OE1-CE1 2.96Å; E76-H247 PolarHBondContact OE1-CE1 2.75Å; E76-H247 IonicContact OE1-ND1 3.87Å; E76-H247 IonicContact OE2-CE1 3.68Å; E76-H247 IonicContact OE2-ND1 3.82Å; C245-H247 PolarHBondContact O-N 3.44Å; C245-H247 VanDerWaalsContact O-N 3.15Å; C245-H247 PolarHBondContact SG-N 3.29Å; H247-R249 PolarHBondContact O-N 3.09Å
248G82.1Confident89.8Confident41 Ų4162 Ų6242%0.42330%0.299SS..SBendtrans80.9-0.3175.400000116.7C245 A246C245-G248 PolarHBondContact O-N 2.88Å; A246-G248 PolarHBondContact O-N 3.3Å
249R87.1Confident88.7Confident188 Ų18858 Ų5871%0.70929%0.292SS*.  trans-72150175-59.8-179.4178.9172.3-0.5111.1Q244 C245 H247 T251Q244-R249 CarbonylContact C-O 3.51Å; Q244-R249 VanDerWaalsContact CA-O 3.29Å; Q244-R249 WeakPolarHBondContact CA-O 3.38Å; C245-R249 PolarHBondContact N-O 2.84Å; C245-R249 PolarHBondContact SG-N 2.82Å; C245-R249 VanDerWaalsContact SG-N 3.39Å; H247-R249 PolarHBondContact O-N 3.09Å; R249-T251 PolarHBondContact O-N 3.34Å
250P89.7Confident87.1Confident89 Ų8966.7 Ų66.758%0.57833%0.328SS*.BIsolated β-bridgetrans-59.2129.8175.2-22.733.4000112.1F243F243-P250 WeakPolarHBondContact O-CA 3.41Å
251T93.4Very high84.9Confident1 Ų168.6 Ų68.61%0.00634%0.342CS..SBendtrans-85.5-28.2175.6-57.70000112.2V69 D70 A73 A74 L236 P242 F243 Q244 C245 R249V69-T251 WeakPolarHBondContact CA-O 3.19Å; V69-T251 HydrophobicContact CG1-CG2 4.16Å; D70-T251 PolarHBondContact N-O 3.17Å; A73-T251 HydrophobicContact CB-CG2 4.34Å; A74-T251 HydrophobicContact CB-CG2 3.76Å; L236-T251 HydrophobicContact CD1-CG2 4.27Å; L236-T251 HydrophobicContact CD2-CG2 3.91Å; P242-T251 WeakPolarHBondContact O-CB 3.15Å; F243-T251 PolarHBondContact O-N 3.23Å; Q244-T251 PolarHBondContact N-OG1 3.11Å; C245-T251 PolarHBondContact N-OG1 2.94Å; C245-T251 VanDerWaalsContact N-OG1 3.07Å; R249-T251 PolarHBondContact O-N 3.34Å
252C94.5Very high82.8Confident9 Ų977.8 Ų77.86%0.06138%0.377CS..EExtended strand (participates in β ladder)trans-126.1134.6-176.4-58.90000109.9L16 I67 A68 F243L16-C252 HydrophobicContact CD2-CB 3.78Å; I67-C252 HydrophobicContact CG2-CB 4.09Å; A68-C252 WeakPolarHBondContact O-CA 3.24Å; F243-C252 HydrophobicContact CD1-CB 4.1Å
253T92.1Very high79.9Confident76 Ų7689.3 Ų89.347%0.46644%0.438SS..EExtended strand (participates in β ladder)trans-124128.7176.3-58.40000109.5I67 A68 I255I67-T253 WeakPolarHBondContact CA-O 3.14Å; A68-T253 PolarHBondContact N-O 3.31Å; A68-T253 PolarHBondContact O-N 3.25Å; T253-I255 HydrophobicContact CG2-CD1 4.11Å; T253-I255 PolarHBondContact O-N 3.15Å
254L90.4Very high79.2Confident28 Ų2893.4 Ų93.415%0.14746%0.458CS..EExtended strand (participates in β ladder)trans-72.2123.7170.3-61-176.2000108.7L16 V41 Y65 I67L16-L254 HydrophobicContact CB-CD2 4.39Å; L16-L254 HydrophobicContact CD2-CD2 4.44Å; V41-L254 HydrophobicContact CG1-CD1 3.98Å; V41-L254 HydrophobicContact CG2-CD2 3.78Å; Y65-L254 HydrophobicContact CD1-CB 4.01Å; Y65-L254 HydrophobicContact CD1-CD1 4.49Å; Y65-L254 HydrophobicContact CD1-CD2 4.31Å; Y65-L254 HydrophobicContact CE1-CB 4.2Å; Y65-L254 HydrophobicContact CE1-CD1 4.4Å; Y65-L254 HydrophobicContact CG-CD2 4.42Å; I67-L254 HydrophobicContact CD1-CD2 3.93Å; I67-L254 HydrophobicContact CG1-CD2 3.77Å
255I91.2Very high78.6Confident101 Ų10194.5 Ų94.552%0.51847%0.465SS..EExtended strand (participates in β ladder)trans-96.8-57-176.9-57.7-59.5000110.7I66 A68 T253I66-I255 HydrophobicContact CB-CB 4.42Å; I66-I255 HydrophobicContact CG2-CB 4.31Å; I66-I255 WeakPolarHBondContact O-CB 3.39Å; I66-I255 PolarHBondContact O-N 2.99Å; A68-I255 HydrophobicContact CB-CD1 3.81Å; A68-I255 HydrophobicContact CB-CG1 3.8Å; T253-I255 HydrophobicContact CG2-CD1 4.11Å; T253-I255 PolarHBondContact O-N 3.15Å
256K88.3Confident78.2Confident137 Ų13799.6 Ų99.660%0.59649%0.489SS*.EExtended strand (participates in β ladder)trans-155.6143.6-175.2-160-173169.3177.20111.5Y65 I66Y65-K256 CarbonylContact C-O 3.5Å; Y65-K256 VanDerWaalsContact CA-O 3.31Å; Y65-K256 WeakPolarHBondContact CA-O 3.43Å; Y65-K256 VanDerWaalsContact CD1-O 3.27Å; Y65-K256 WeakPolarHBondContact CD1-O 3.49Å; I66-K256 PolarHBondContact N-O 3.41Å
257M87.4Confident77.9Confident43 Ų43104.9 Ų104.921%0.21251%0.514CS..EExtended strand (participates in β ladder)trans-61.3143.3162.5-67-102.7-98.300109.7Y14 H63 L64 Y65Y14-M257 HydrophobicContact CE1-CE 4.31Å; Y14-M257 HydrophobicContact CE1-SD 4.01Å; H63-M257 HydrophobicContact CB-CE 4.2Å; H63-M257 HydrophobicContact CB-SD 3.29Å; H63-M257 WeakPolarHBondContact CB-SD 3.33Å; L64-M257 CarbonylContact O-C 3.56Å; Y65-M257 HydrophobicContact CD2-CG 4.31Å; Y65-M257 HydrophobicContact CD2-SD 3.98Å; Y65-M257 HydrophobicContact CE1-CG 3.8Å; Y65-M257 HydrophobicContact CE1-SD 4.46Å; Y65-M257 HydrophobicContact CE2-CB 4.49Å; Y65-M257 HydrophobicContact CE2-CG 3.57Å; Y65-M257 HydrophobicContact CE2-SD 3.12Å; Y65-M257 WeakPolarHBondContact CE2-SD 3.5Å; Y65-M257 WeakPolarHBondContact OH-CG 3.2Å; Y65-M257 PolarHBondContact OH-SD 2.94Å; Y65-M257 VanDerWaalsContact OH-SD 3.33Å
258I86.3Confident77.7Confident51 Ų51105.1 Ų105.126%0.26252%0.517SS..EExtended strand (participates in β ladder)trans-100.2103.4162.9-55.8174.4000105I38 L64 I66 K260I38-I258 HydrophobicContact CB-CD1 4.47Å; I38-I258 HydrophobicContact CD1-CD1 4.04Å; I38-I258 HydrophobicContact CG1-CD1 3.86Å; I38-I258 HydrophobicContact CG2-CD1 3.87Å; L64-I258 HydrophobicContact CB-CB 4.02Å; L64-I258 HydrophobicContact CB-CD1 4.38Å; L64-I258 PolarHBondContact O-N 2.81Å; I66-I258 HydrophobicContact CD1-CG1 4.49Å; I66-I258 HydrophobicContact CG1-CD1 3.86Å; I66-I258 HydrophobicContact CG1-CG1 3.92Å; I258-K260 PolarHBondContact O-N 2.98Å
259D72.8Confident77.4Confident97 Ų97109.4 Ų109.452%0.51952%0.523SS..  trans-61.9135.4169.5-60.2-46.6000107.8E261D259-E261 HydrophobicContact CB-CG 4.48Å; D259-E261 PolarHBondContact O-N 3.08Å
260K61.3Low76.7Confident195 Ų195103.8 Ų103.885%0.84851%0.51SS*.  trans-73.761.9170-70.7-173.6176.8-176.80108.7I258I258-K260 PolarHBondContact O-N 2.98Å
261E47.5Very low75.7Confident164 Ų164104.9 Ų104.977%0.76650%0.504SS*.  trans-103.578.4164.8-75-171.3173.300107.4D259D259-E261 HydrophobicContact CB-CG 4.48Å; D259-E261 PolarHBondContact O-N 3.08Å
262Y45.5Very low74.3Confident220 Ų220113.6 Ų113.686%0.86355%0.546SS*.  trans-141.496.8154.7-78.8-80.5000105.8
263D33.7Very low72.4Confident242 Ų242123.1 Ų123.1100%1.29459%0.59SS**  trans-61.20151.2-74.2-36.5000109.7

Retrieved 263 of 263 residues in 67 ms (Link to these results)

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