A0A077ZJN8_TRITR Loading...

Sugar-bind and HTH 24 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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
1M55Low86.8Confident197 Ų19791.5 Ų91.597%0.9744%0.444SS*.  0-520-146.8166.7-166.700111.2D3 R4 E5M1-D3 PolarHBondContact O-N 3.2Å; M1-D3 VanDerWaalsContact O-N 3.15Å; M1-R4 PolarHBondContact O-N 3.15Å; M1-E5 PolarHBondContact O-N 3.07Å
2L61.1Low87.5Confident129 Ų12984.4 Ų84.468%0.67541%0.412SS*.Hα-helixtrans-52.8-34179.4-157.174.7000114.9N6L2-N6 WeakPolarHBondContact O-CB 3.36Å; L2-N6 PolarHBondContact O-N 3.16Å; L2-N6 PolarHBondContact O-ND2 3.48Å; L2-N6 VanDerWaalsContact O-ND2 3.16Å
3D86.4Confident88.2Confident131 Ų13183.4 Ų83.470%0.70141%0.409SS*.Hα-helixtrans-69-39.5-178.4-169.238.4000113.2M1 N6 L7M1-D3 PolarHBondContact O-N 3.2Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-N6 PolarHBondContact O-N 3.32Å; D3-L7 WeakPolarHBondContact O-CB 3.4Å; D3-L7 PolarHBondContact O-N 3.43Å
4R90.4Very high88.8Confident120 Ų12078 Ų7845%0.45338%0.383SS..Hα-helixtrans-70.7-40.8179.3-171.8179.4-179.791.11.2111.7M1 L7 M8 L39 E42M1-R4 PolarHBondContact O-N 3.15Å; R4-L7 PolarHBondContact O-N 3.47Å; R4-M8 VanDerWaalsContact O-CB 3.27Å; R4-M8 WeakPolarHBondContact O-CB 3.27Å; R4-M8 PolarHBondContact O-N 2.86Å; R4-L39 HydrophobicContact CG-CD2 4.37Å; R4-E42 IonicContact CZ-OE2 3.81Å; R4-E42 VanDerWaalsContact CZ-OE2 3.3Å; R4-E42 IonicContact NE-OE1 2.65Å; R4-E42 IonicContact NE-OE2 2.6Å; R4-E42 PolarHBondContact NE-OE2 3.25Å; R4-E42 IonicContact NH2-OE2 3.93Å; R4-E42 PolarHBondContact NH2-OE2 2.96Å
5E90.8Very high89.3Confident85 Ų8578.3 Ų78.340%0.39738%0.379SS..Hα-helixtrans-63.9-42.6175.7-72.9-178.9167.700111.5M1 M8 L9M1-E5 PolarHBondContact O-N 3.07Å; E5-M8 HydrophobicContact CB-CE 4.47Å; E5-M8 HydrophobicContact CG-CE 4.16Å; E5-M8 PolarHBondContact O-N 3.36Å; E5-L9 WeakPolarHBondContact O-CB 3.41Å; E5-L9 PolarHBondContact O-N 2.85Å
6N93.2Very high89.6Confident74 Ų7478.4 Ų78.440%0.39638%0.375SS..Hα-helixtrans-62.3-42.7172.9-79.7-32.3000112.4L2 D3 M8 L9 K10L2-N6 WeakPolarHBondContact O-CB 3.36Å; L2-N6 PolarHBondContact O-N 3.16Å; L2-N6 PolarHBondContact O-ND2 3.48Å; L2-N6 VanDerWaalsContact O-ND2 3.16Å; D3-N6 PolarHBondContact O-N 3.32Å; N6-M8 VanDerWaalsContact C-N 3.35Å; N6-L9 PolarHBondContact O-N 2.87Å; N6-K10 WeakPolarHBondContact O-CB 3.32Å; N6-K10 VanDerWaalsContact O-CG 3.32Å; N6-K10 WeakPolarHBondContact O-CG 3.32Å; N6-K10 PolarHBondContact O-N 2.91Å
7L94.9Very high89.8Confident46 Ų4682.5 Ų82.524%0.24139%0.394CS..Hα-helixtrans-64.6-40.5177.5-174.766.1000111.6D3 R4 T11 L29 I31 L39D3-L7 WeakPolarHBondContact O-CB 3.4Å; D3-L7 PolarHBondContact O-N 3.43Å; R4-L7 PolarHBondContact O-N 3.47Å; L7-T11 VanDerWaalsContact O-CB 3.25Å; L7-T11 WeakPolarHBondContact O-CB 3.39Å; L7-T11 PolarHBondContact O-N 2.7Å; L7-T11 PolarHBondContact O-OG1 3.36Å; L7-L29 HydrophobicContact CD1-CB 4.49Å; L7-L29 HydrophobicContact CD1-CD1 3.99Å; L7-I31 HydrophobicContact CD2-CG2 4.49Å; L7-L39 HydrophobicContact CD2-CD1 3.95Å; L7-L39 HydrophobicContact CG-CD1 3.89Å
8M95.3Very high90.1Very high0 Ų083.5 Ų83.50%040%0.398CS..Hα-helixtrans-63.4-46.7174.4-179.5173.345.700111.8R4 E5 N6 T11 A12 L39 E42 A43 K46 I48R4-M8 VanDerWaalsContact O-CB 3.27Å; R4-M8 WeakPolarHBondContact O-CB 3.27Å; R4-M8 PolarHBondContact O-N 2.86Å; E5-M8 HydrophobicContact CB-CE 4.47Å; E5-M8 HydrophobicContact CG-CE 4.16Å; E5-M8 PolarHBondContact O-N 3.36Å; N6-M8 VanDerWaalsContact C-N 3.35Å; M8-T11 WeakPolarHBondContact O-CB 3.43Å; M8-T11 PolarHBondContact O-N 2.76Å; M8-A12 WeakPolarHBondContact O-CB 3.48Å; M8-A12 PolarHBondContact O-N 2.97Å; M8-L39 HydrophobicContact CB-CD2 4Å; M8-E42 HydrophobicContact SD-CB 3.9Å; M8-E42 HydrophobicContact SD-CG 3.82Å; M8-A43 HydrophobicContact CG-CB 3.69Å; M8-A43 VanDerWaalsContact SD-CA 3.57Å; M8-A43 HydrophobicContact SD-CB 3.98Å; M8-A43 PolarHBondContact SD-N 3.41Å; M8-A43 VanDerWaalsContact SD-N 3.4Å; M8-K46 HydrophobicContact CE-CD 3.87Å; M8-K46 HydrophobicContact SD-CD 4.29Å; M8-I48 HydrophobicContact CE-CD1 3.16Å; M8-I48 HydrophobicContact SD-CD1 3.92Å
9L94.8Very high90.3Very high93 Ų9388.3 Ų88.349%0.48742%0.42SS..Hα-helixtrans-61.2-47.2176.3-18064000111.4E5 N6 T11 A12 L13 I48E5-L9 WeakPolarHBondContact O-CB 3.41Å; E5-L9 PolarHBondContact O-N 2.85Å; N6-L9 PolarHBondContact O-N 2.87Å; L9-T11 VanDerWaalsContact C-N 3.32Å; L9-T11 PolarHBondContact O-N 3.06Å; L9-A12 PolarHBondContact O-N 3.43Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.31Å; L9-I48 HydrophobicContact CD1-CG2 4.25Å
10K95.4Very high90.6Very high131 Ų13184.7 Ų84.757%0.5741%0.405SS*.Hα-helixtrans-59.6-43.4175-75178.2-178.7-179.50111.5N6 A12 L13 L14N6-K10 WeakPolarHBondContact O-CB 3.32Å; N6-K10 VanDerWaalsContact O-CG 3.32Å; N6-K10 WeakPolarHBondContact O-CG 3.32Å; N6-K10 PolarHBondContact O-N 2.91Å; K10-A12 VanDerWaalsContact C-N 3.34Å; K10-A12 PolarHBondContact O-N 3.06Å; K10-L13 PolarHBondContact O-N 3.4Å; K10-L14 WeakPolarHBondContact O-CG 3.48Å; K10-L14 PolarHBondContact O-N 2.7Å
11T97.2Very high90.9Very high0 Ų084.1 Ų84.10%041%0.407CS..Hα-helixtrans-61.4-43.8177.9-63.10000111.2L7 M8 L9 Y15 I25 L29 V36 L39 L40L7-T11 VanDerWaalsContact O-CB 3.25Å; L7-T11 WeakPolarHBondContact O-CB 3.39Å; L7-T11 PolarHBondContact O-N 2.7Å; L7-T11 PolarHBondContact O-OG1 3.36Å; M8-T11 WeakPolarHBondContact O-CB 3.43Å; M8-T11 PolarHBondContact O-N 2.76Å; L9-T11 VanDerWaalsContact C-N 3.32Å; L9-T11 PolarHBondContact O-N 3.06Å; T11-Y15 WeakPolarHBondContact O-CB 3.48Å; T11-Y15 PolarHBondContact O-N 2.88Å; T11-Y15 VanDerWaalsContact O-N 3.12Å; T11-I25 HydrophobicContact CG2-CG2 4.18Å; T11-L29 WeakPolarHBondContact OG1-CD1 3.25Å; T11-V36 HydrophobicContact CG2-CG1 3.84Å; T11-L39 HydrophobicContact CG2-CB 4.04Å; T11-L39 HydrophobicContact CG2-CD1 4.49Å; T11-L40 HydrophobicContact CG2-CD2 3.88Å; T11-L40 HydrophobicContact CG2-CG 3.92Å
12A96Very high92.9Very high7 Ų777 Ų776%0.05837%0.371CS..Hα-helixtrans-64.6-44.5176.700000112.5M8 L9 K10 Y15 Y16 A43 V49M8-A12 WeakPolarHBondContact O-CB 3.48Å; M8-A12 PolarHBondContact O-N 2.97Å; L9-A12 PolarHBondContact O-N 3.43Å; K10-A12 VanDerWaalsContact C-N 3.34Å; K10-A12 PolarHBondContact O-N 3.06Å; A12-Y15 PolarHBondContact O-N 3.46Å; A12-Y16 HydrophobicContact CB-CD2 4.18Å; A12-Y16 WeakPolarHBondContact O-CB 3.31Å; A12-Y16 WeakPolarHBondContact O-CD2 3.41Å; A12-Y16 PolarHBondContact O-N 2.88Å; A12-A43 HydrophobicContact CB-CB 4.48Å; A12-V49 HydrophobicContact CB-CG2 3.54Å
13L95.7Very high94.7Very high71 Ų7173.5 Ų73.537%0.37236%0.358SS..Hα-helixtrans-61.5-47.3178-172.9146.2000111.5L9 K10 Y15 E17 E18L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.31Å; K10-L13 PolarHBondContact O-N 3.4Å; L13-Y15 VanDerWaalsContact C-N 3.27Å; L13-Y15 PolarHBondContact O-N 3.26Å; L13-E17 HydrophobicContact CG-CB 4.47Å; L13-E17 WeakPolarHBondContact O-CA 3.41Å; L13-E17 WeakPolarHBondContact O-CB 3.4Å; L13-E17 PolarHBondContact O-N 3.43Å; L13-E18 HydrophobicContact CD2-CG 4.11Å; L13-E18 WeakPolarHBondContact CD2-OE1 3.46Å; L13-E18 PolarHBondContact O-N 2.93Å
14L96.9Very high95.2Very high8 Ų872.3 Ų72.34%0.04235%0.348CS..Hα-helixtrans-59.2-39.4176.5-66.6174.1000112.1K10 E18 E19 A20 I25 K28 L29K10-L14 WeakPolarHBondContact O-CG 3.48Å; K10-L14 PolarHBondContact O-N 2.7Å; L14-E18 VanDerWaalsContact CD2-CD 3.44Å; L14-E18 HydrophobicContact CD2-CG 4.47Å; L14-E18 WeakPolarHBondContact CD2-OE2 3.02Å; L14-E18 CarbonylContact O-C 3.51Å; L14-E18 WeakPolarHBondContact O-CB 3.5Å; L14-E19 PolarHBondContact O-N 2.92Å; L14-A20 HydrophobicContact CB-CB 4.39Å; L14-A20 VanDerWaalsContact O-CB 3.22Å; L14-A20 WeakPolarHBondContact O-CB 3.45Å; L14-A20 PolarHBondContact O-N 2.91Å; L14-I25 HydrophobicContact CB-CD1 3.85Å; L14-I25 HydrophobicContact CB-CG1 3.74Å; L14-I25 HydrophobicContact CD1-CB 4.46Å; L14-I25 HydrophobicContact CD1-CG1 4.2Å; L14-I25 HydrophobicContact CD1-CG2 3.9Å; L14-K28 HydrophobicContact CD1-CD 4.16Å; L14-K28 HydrophobicContact CD2-CD 3.87Å; L14-L29 HydrophobicContact CD1-CD1 3.85Å; L14-L29 HydrophobicContact CD1-CD2 4.03Å; L14-L29 HydrophobicContact CD1-CG 3.85Å
15Y97.2Very high95.5Very high82 Ų8266.6 Ų66.632%0.32233%0.327SS..Hα-helixtrans-81.2-45.5-175.3-171.5-102.2000113.6T11 A12 L13 A20 Q22 I25 L40T11-Y15 WeakPolarHBondContact O-CB 3.48Å; T11-Y15 PolarHBondContact O-N 2.88Å; T11-Y15 VanDerWaalsContact O-N 3.12Å; A12-Y15 PolarHBondContact O-N 3.46Å; L13-Y15 VanDerWaalsContact C-N 3.27Å; L13-Y15 PolarHBondContact O-N 3.26Å; Y15-A20 VanDerWaalsContact CD2-O 3.3Å; Y15-A20 WeakPolarHBondContact CD2-O 3.21Å; Y15-Q22 HydrophobicContact CD2-CG 4.1Å; Y15-Q22 HydrophobicContact CE2-CG 3.75Å; Y15-I25 HydrophobicContact CD2-CD1 3.9Å; Y15-I25 HydrophobicContact CG-CD1 4.23Å; Y15-L40 HydrophobicContact CD1-CD1 3.78Å; Y15-L40 HydrophobicContact CD1-CD2 3.96Å; Y15-L40 HydrophobicContact CD2-CD1 3.81Å; Y15-L40 HydrophobicContact CE1-CD1 4.13Å; Y15-L40 HydrophobicContact CE2-CD1 4.18Å; Y15-L40 HydrophobicContact CG-CD1 3.6Å; Y15-L40 HydrophobicContact CG-CD2 3.9Å; Y15-L40 HydrophobicContact CG-CG 4.43Å
16Y94Very high95.8Very high80 Ų8063.2 Ų63.231%0.31431%0.313SS..Hα-helixtrans-93.9-25.2-171.8-67.5-64.7000113.8A12 L40 K44 V49 I51A12-Y16 HydrophobicContact CB-CD2 4.18Å; A12-Y16 WeakPolarHBondContact O-CB 3.31Å; A12-Y16 WeakPolarHBondContact O-CD2 3.41Å; A12-Y16 PolarHBondContact O-N 2.88Å; Y16-L40 HydrophobicContact CD2-CD2 4.32Å; Y16-L40 HydrophobicContact CE2-CD2 3.72Å; Y16-K44 WeakPolarHBondContact OH-CE 3.41Å; Y16-K44 PolarHBondContact OH-NZ 2.92Å; Y16-V49 HydrophobicContact CD2-CG1 3.84Å; Y16-V49 HydrophobicContact CD2-CG2 3.84Å; Y16-V49 HydrophobicContact CE2-CB 4.2Å; Y16-V49 HydrophobicContact CE2-CG1 3.53Å; Y16-V49 HydrophobicContact CE2-CG2 3.79Å; Y16-V49 HydrophobicContact CG-CG1 4.47Å; Y16-I51 HydrophobicContact CE1-CD1 4.1Å; Y16-I51 HydrophobicContact CE1-CG1 4.5Å
17E93.2Very high96Very high149 Ų14968 Ų6870%0.69633%0.331SS*.THydrogen-bonded Turntrans-109-40.1179.3-61.3-168.7164.500112.9L13 E19L13-E17 HydrophobicContact CG-CB 4.47Å; L13-E17 WeakPolarHBondContact O-CA 3.41Å; L13-E17 WeakPolarHBondContact O-CB 3.4Å; L13-E17 PolarHBondContact O-N 3.43Å; E17-E19 VanDerWaalsContact C-N 3.34Å
18E95Very high96Very high100 Ų10072.3 Ų72.347%0.46735%0.347SS..SBendtrans-893.2178.2-58.4-176-16500113.7L13 L14 A20 K28L13-E18 HydrophobicContact CD2-CG 4.11Å; L13-E18 WeakPolarHBondContact CD2-OE1 3.46Å; L13-E18 PolarHBondContact O-N 2.93Å; L14-E18 VanDerWaalsContact CD2-CD 3.44Å; L14-E18 HydrophobicContact CD2-CG 4.47Å; L14-E18 WeakPolarHBondContact CD2-OE2 3.02Å; L14-E18 CarbonylContact O-C 3.51Å; L14-E18 WeakPolarHBondContact O-CB 3.5Å; E18-A20 PolarHBondContact O-N 2.88Å; E18-K28 IonicContact OE2-NZ 3.61Å; E18-K28 PolarHBondContact OE2-NZ 3.4Å
19E93.7Very high96Very high175 Ų17574.3 Ų74.382%0.81836%0.358SS*.  trans53.120.1-177.9-57.8-174.216700114.8L14 E17 T21L14-E19 PolarHBondContact O-N 2.92Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E19-T21 PolarHBondContact O-N 3.26Å
20A96.1Very high96.1Very high16 Ų1677.2 Ų77.213%0.13237%0.374CS..  trans-69.5136.1-178.200000110.7L14 Y15 E18 E24 I25L14-A20 HydrophobicContact CB-CB 4.39Å; L14-A20 VanDerWaalsContact O-CB 3.22Å; L14-A20 WeakPolarHBondContact O-CB 3.45Å; L14-A20 PolarHBondContact O-N 2.91Å; Y15-A20 VanDerWaalsContact CD2-O 3.3Å; Y15-A20 WeakPolarHBondContact CD2-O 3.21Å; E18-A20 PolarHBondContact O-N 2.88Å; A20-E24 HydrophobicContact CB-CB 4.42Å; A20-I25 HydrophobicContact CB-CD1 4.19Å; A20-I25 HydrophobicContact CB-CG1 3.74Å
21T96.9Very high96.1Very high72 Ų7272.9 Ų72.944%0.44236%0.356SS..  trans-66.1153.8173.366.40000110.6E19 S23 E24 I25E19-T21 PolarHBondContact O-N 3.26Å; T21-S23 PolarHBondContact O-N 2.88Å; T21-E24 WeakPolarHBondContact CB-OE2 3.37Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.29Å; T21-E24 PolarHBondContact N-OE2 3.31Å; T21-E24 PolarHBondContact O-N 3.48Å; T21-E24 VanDerWaalsContact OG1-CD 3.26Å; T21-E24 WeakPolarHBondContact OG1-CG 3.4Å; T21-E24 PolarHBondContact OG1-N 2.99Å; T21-E24 PolarHBondContact OG1-OE2 3.38Å; T21-I25 WeakPolarHBondContact O-CG1 3.49Å; T21-I25 PolarHBondContact O-N 2.86Å
22Q97.3Very high96.1Very high47 Ų4775.6 Ų75.622%0.2238%0.376CS..Hα-helixtrans-56.5-27.5176.7-62.5-179.82.300112.9Y15 A26 R33 V36 L40Y15-Q22 HydrophobicContact CD2-CG 4.1Å; Y15-Q22 HydrophobicContact CE2-CG 3.75Å; Q22-A26 VanDerWaalsContact O-CB 3.26Å; Q22-A26 WeakPolarHBondContact O-CB 3.5Å; Q22-A26 PolarHBondContact O-N 2.89Å; Q22-R33 HydrophobicContact CB-CG 4.06Å; Q22-V36 HydrophobicContact CB-CG1 3.96Å; Q22-V36 HydrophobicContact CG-CG1 4.04Å; Q22-L40 HydrophobicContact CG-CD1 4.2Å
23S97.5Very high96.1Very high56 Ų5682.3 Ų82.339%0.39240%0.399SS..Hα-helixtrans-74-37.8176.6-62.80000112.9T21 K27T21-S23 PolarHBondContact O-N 2.88Å; S23-K27 WeakPolarHBondContact O-CG 3.25Å; S23-K27 PolarHBondContact O-N 2.98Å
24E97.3Very high96.2Very high107 Ų10783.5 Ų83.550%0.541%0.412SS..Hα-helixtrans-69.5-41.3174.8-72.7159145.400110.9A20 T21 K27 K28A20-E24 HydrophobicContact CB-CB 4.42Å; T21-E24 WeakPolarHBondContact CB-OE2 3.37Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.29Å; T21-E24 PolarHBondContact N-OE2 3.31Å; T21-E24 PolarHBondContact O-N 3.48Å; T21-E24 VanDerWaalsContact OG1-CD 3.26Å; T21-E24 WeakPolarHBondContact OG1-CG 3.4Å; T21-E24 PolarHBondContact OG1-N 2.99Å; T21-E24 PolarHBondContact OG1-OE2 3.38Å; E24-K27 PolarHBondContact O-N 3.02Å; E24-K28 VanDerWaalsContact O-CB 3.31Å; E24-K28 WeakPolarHBondContact O-CB 3.42Å; E24-K28 PolarHBondContact O-N 2.99Å
25I97.4Very high96.2Very high0 Ų085.4 Ų85.40%042%0.424CS..Hα-helixtrans-61.5-46.2175.5-61.6172.2000110.7T11 L14 Y15 A20 T21 K27 K28 L29 V36T11-I25 HydrophobicContact CG2-CG2 4.18Å; L14-I25 HydrophobicContact CB-CD1 3.85Å; L14-I25 HydrophobicContact CB-CG1 3.74Å; L14-I25 HydrophobicContact CD1-CB 4.46Å; L14-I25 HydrophobicContact CD1-CG1 4.2Å; L14-I25 HydrophobicContact CD1-CG2 3.9Å; Y15-I25 HydrophobicContact CD2-CD1 3.9Å; Y15-I25 HydrophobicContact CG-CD1 4.23Å; A20-I25 HydrophobicContact CB-CD1 4.19Å; A20-I25 HydrophobicContact CB-CG1 3.74Å; T21-I25 WeakPolarHBondContact O-CG1 3.49Å; T21-I25 PolarHBondContact O-N 2.86Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 2.71Å; I25-K28 PolarHBondContact O-N 3.33Å; I25-L29 HydrophobicContact CG2-CD1 3.74Å; I25-L29 HydrophobicContact CG2-CG 4.21Å; I25-L29 WeakPolarHBondContact O-CB 3.2Å; I25-L29 PolarHBondContact O-N 3.37Å; I25-V36 HydrophobicContact CB-CG1 4.16Å; I25-V36 HydrophobicContact CB-CG2 4.25Å; I25-V36 HydrophobicContact CD1-CG1 4.32Å; I25-V36 HydrophobicContact CG2-CG1 3.95Å; I25-V36 HydrophobicContact CG2-CG2 3.81Å
26A97.4Very high96.2Very high13 Ų1381.5 Ų81.511%0.10741%0.408CS..Hα-helixtrans-54.5-45.7176.500000111.6Q22 N30 I31 R33 V36Q22-A26 VanDerWaalsContact O-CB 3.26Å; Q22-A26 WeakPolarHBondContact O-CB 3.5Å; Q22-A26 PolarHBondContact O-N 2.89Å; A26-N30 WeakPolarHBondContact O-CA 3.27Å; A26-N30 PolarHBondContact O-N 3.32Å; A26-I31 CarbonylContact C-O 3.44Å; A26-I31 VanDerWaalsContact CA-O 3.27Å; A26-I31 WeakPolarHBondContact CA-O 3.43Å; A26-I31 WeakPolarHBondContact CB-O 3.47Å; A26-I31 PolarHBondContact O-N 3.4Å; A26-I31 VanDerWaalsContact O-O 3.07Å; A26-R33 HydrophobicContact CB-CB 4.36Å; A26-V36 HydrophobicContact CB-CG2 4.08Å
27K96.7Very high96.4Very high176 Ų17679.6 Ų79.677%0.76541%0.409SS*.Hα-helixtrans-66.9-47.5175.9-69.5174.7-177.51790112.5S23 E24 I25 L29 N30S23-K27 WeakPolarHBondContact O-CG 3.25Å; S23-K27 PolarHBondContact O-N 2.98Å; E24-K27 PolarHBondContact O-N 3.02Å; I25-K27 VanDerWaalsContact C-N 3.29Å; I25-K27 PolarHBondContact O-N 2.71Å; K27-L29 PolarHBondContact O-N 2.92Å; K27-N30 PolarHBondContact O-N 2.98Å
28K96Very high96.5Very high135 Ų13575.3 Ų75.359%0.58740%0.395SS*.Hα-helixtrans-64.7-36.9-176.3-172.3173.5179.3179.50112.3L14 E18 E24 I25L14-K28 HydrophobicContact CD1-CD 4.16Å; L14-K28 HydrophobicContact CD2-CD 3.87Å; E18-K28 IonicContact OE2-NZ 3.61Å; E18-K28 PolarHBondContact OE2-NZ 3.4Å; E24-K28 VanDerWaalsContact O-CB 3.31Å; E24-K28 WeakPolarHBondContact O-CB 3.42Å; E24-K28 PolarHBondContact O-N 2.99Å; I25-K28 PolarHBondContact O-N 3.33Å
29L95.2Very high96.6Very high43 Ų4370.6 Ų70.623%0.22537%0.373CS..THydrogen-bonded Turntrans-97.80.7-179.4-61.1-175.2000113.7L7 T11 L14 I25 K27 I31L7-L29 HydrophobicContact CD1-CB 4.49Å; L7-L29 HydrophobicContact CD1-CD1 3.99Å; T11-L29 WeakPolarHBondContact OG1-CD1 3.25Å; L14-L29 HydrophobicContact CD1-CD1 3.85Å; L14-L29 HydrophobicContact CD1-CD2 4.03Å; L14-L29 HydrophobicContact CD1-CG 3.85Å; I25-L29 HydrophobicContact CG2-CD1 3.74Å; I25-L29 HydrophobicContact CG2-CG 4.21Å; I25-L29 WeakPolarHBondContact O-CB 3.2Å; I25-L29 PolarHBondContact O-N 3.37Å; K27-L29 PolarHBondContact O-N 2.92Å; L29-I31 VanDerWaalsContact C-N 3.33Å; L29-I31 HydrophobicContact CB-CD1 4.22Å; L29-I31 HydrophobicContact CB-CG1 4.01Å; L29-I31 HydrophobicContact CD1-CD1 4.36Å; L29-I31 PolarHBondContact O-N 3.03Å
30N95.9Very high96.8Very high153 Ų15362.6 Ų62.682%0.81834%0.336SS*.THydrogen-bonded Turntrans52.745.4-176.7-165.938.3000113.5A26 K27A26-N30 WeakPolarHBondContact O-CA 3.27Å; A26-N30 PolarHBondContact O-N 3.32Å; K27-N30 PolarHBondContact O-N 2.98Å
31I96.4Very high96.8Very high40 Ų4067.1 Ų67.121%0.20535%0.354CS..  trans-129.3164.4177.659.6174.5000111L7 A26 L29 T35 V36 L39L7-I31 HydrophobicContact CD2-CG2 4.49Å; A26-I31 CarbonylContact C-O 3.44Å; A26-I31 VanDerWaalsContact CA-O 3.27Å; A26-I31 WeakPolarHBondContact CA-O 3.43Å; A26-I31 WeakPolarHBondContact CB-O 3.47Å; A26-I31 PolarHBondContact O-N 3.4Å; A26-I31 VanDerWaalsContact O-O 3.07Å; L29-I31 VanDerWaalsContact C-N 3.33Å; L29-I31 HydrophobicContact CB-CD1 4.22Å; L29-I31 HydrophobicContact CB-CG1 4.01Å; L29-I31 HydrophobicContact CD1-CD1 4.36Å; L29-I31 PolarHBondContact O-N 3.03Å; I31-T35 HydrophobicContact CB-CG2 4.37Å; I31-T35 HydrophobicContact CD1-CG2 4.16Å; I31-V36 HydrophobicContact CD1-CG2 3.7Å; I31-V36 HydrophobicContact CG1-CG2 3.86Å; I31-L39 HydrophobicContact CD1-CD1 3.87Å
32S96.9Very high96.7Very high58 Ų5865 Ų6541%0.40634%0.34SS..  trans-72.9149.3179.786.60000112P34 T35 V36S32-P34 WeakPolarHBondContact OG-CD 3.29Å; S32-T35 WeakPolarHBondContact O-CA 3.35Å; S32-T35 VanDerWaalsContact O-CB 3.25Å; S32-T35 WeakPolarHBondContact O-CB 3.43Å; S32-T35 PolarHBondContact O-N 3.33Å; S32-T35 WeakPolarHBondContact OG-CB 3.39Å; S32-T35 PolarHBondContact OG-N 3.43Å; S32-T35 VanDerWaalsContact OG-N 3.09Å; S32-T35 PolarHBondContact OG-OG1 2.95Å; S32-V36 PolarHBondContact O-N 3.31Å
33R96Very high96.6Very high147 Ų14762.8 Ų62.856%0.55533%0.329SS*.Hα-helixtrans-56.9-40.7173.8-178.3-177.5169-144.30112.7Q22 A26 T35 V36 A37Q22-R33 HydrophobicContact CB-CG 4.06Å; A26-R33 HydrophobicContact CB-CB 4.36Å; R33-T35 VanDerWaalsContact C-N 3.3Å; R33-T35 PolarHBondContact O-N 3.5Å; R33-V36 WeakPolarHBondContact O-CB 3.4Å; R33-V36 PolarHBondContact O-N 3.24Å; R33-A37 PolarHBondContact O-N 3.21Å
34P97.5Very high96.4Very high97 Ų9764.6 Ų64.663%0.6333%0.33SS*.Hα-helixtrans-59.1-37.1170.2-27.335.6000113.9S32 A37 S38S32-P34 WeakPolarHBondContact OG-CD 3.29Å; P34-A37 PolarHBondContact O-N 2.86Å; P34-S38 WeakPolarHBondContact O-CB 3.44Å; P34-S38 PolarHBondContact O-N 3.04Å
35T96.8Very high96.3Very high48 Ų4866.4 Ų66.429%0.29434%0.338SS..Hα-helixtrans-63.2-43.1174.2-51.50000111I31 S32 R33 S38 L39I31-T35 HydrophobicContact CB-CG2 4.37Å; I31-T35 HydrophobicContact CD1-CG2 4.16Å; S32-T35 WeakPolarHBondContact O-CA 3.35Å; S32-T35 VanDerWaalsContact O-CB 3.25Å; S32-T35 WeakPolarHBondContact O-CB 3.43Å; S32-T35 PolarHBondContact O-N 3.33Å; S32-T35 WeakPolarHBondContact OG-CB 3.39Å; S32-T35 PolarHBondContact OG-N 3.43Å; S32-T35 VanDerWaalsContact OG-N 3.09Å; S32-T35 PolarHBondContact OG-OG1 2.95Å; R33-T35 VanDerWaalsContact C-N 3.3Å; R33-T35 PolarHBondContact O-N 3.5Å; T35-S38 PolarHBondContact O-N 2.98Å; T35-L39 HydrophobicContact CG2-CD1 4.1Å; T35-L39 HydrophobicContact CG2-CG 4.41Å; T35-L39 WeakPolarHBondContact O-CB 3.36Å; T35-L39 VanDerWaalsContact O-CG 3.29Å; T35-L39 WeakPolarHBondContact O-CG 3.36Å; T35-L39 PolarHBondContact O-N 3.41Å
36V97.8Very high96.1Very high0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-57.9-50.1174.3174.90000111T11 Q22 I25 A26 I31 S32 R33 S38 L39 L40T11-V36 HydrophobicContact CG2-CG1 3.84Å; Q22-V36 HydrophobicContact CB-CG1 3.96Å; Q22-V36 HydrophobicContact CG-CG1 4.04Å; I25-V36 HydrophobicContact CB-CG1 4.16Å; I25-V36 HydrophobicContact CB-CG2 4.25Å; I25-V36 HydrophobicContact CD1-CG1 4.32Å; I25-V36 HydrophobicContact CG2-CG1 3.95Å; I25-V36 HydrophobicContact CG2-CG2 3.81Å; A26-V36 HydrophobicContact CB-CG2 4.08Å; I31-V36 HydrophobicContact CD1-CG2 3.7Å; I31-V36 HydrophobicContact CG1-CG2 3.86Å; S32-V36 PolarHBondContact O-N 3.31Å; R33-V36 WeakPolarHBondContact O-CB 3.4Å; R33-V36 PolarHBondContact O-N 3.24Å; V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 3.24Å; V36-L39 PolarHBondContact O-N 3.27Å; V36-L40 HydrophobicContact CG1-CD1 4.05Å; V36-L40 HydrophobicContact CG1-CG 4.46Å; V36-L40 WeakPolarHBondContact O-CG 3.22Å; V36-L40 PolarHBondContact O-N 3.12Å
37A96.8Very high95.7Very high39 Ų3973.5 Ų73.532%0.32238%0.383SS..Hα-helixtrans-60-42.6178.600000112.2R33 P34 L40 H41R33-A37 PolarHBondContact O-N 3.21Å; P34-A37 PolarHBondContact O-N 2.86Å; A37-L40 PolarHBondContact O-N 3.02Å; A37-H41 WeakPolarHBondContact O-CB 3.45Å; A37-H41 PolarHBondContact O-N 2.83Å
38S96.9Very high95.4Very high59 Ų5968.8 Ų68.841%0.41337%0.365SS..Hα-helixtrans-63.2-42.1175.9173.90000112.3P34 T35 V36 H41 E42P34-S38 WeakPolarHBondContact O-CB 3.44Å; P34-S38 PolarHBondContact O-N 3.04Å; T35-S38 PolarHBondContact O-N 2.98Å; V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 3.24Å; S38-H41 PolarHBondContact O-N 3.35Å; S38-E42 WeakPolarHBondContact O-CB 3.26Å; S38-E42 PolarHBondContact O-N 3.21Å
39L97.2Very high95.2Very high1 Ų163.3 Ų63.31%0.00534%0.343CS..Hα-helixtrans-65.9-40.3176.5-71.6169.8000112R4 L7 M8 T11 I31 T35 V36 H41 E42 A43R4-L39 HydrophobicContact CG-CD2 4.37Å; L7-L39 HydrophobicContact CD2-CD1 3.95Å; L7-L39 HydrophobicContact CG-CD1 3.89Å; M8-L39 HydrophobicContact CB-CD2 4Å; T11-L39 HydrophobicContact CG2-CB 4.04Å; T11-L39 HydrophobicContact CG2-CD1 4.49Å; I31-L39 HydrophobicContact CD1-CD1 3.87Å; T35-L39 HydrophobicContact CG2-CD1 4.1Å; T35-L39 HydrophobicContact CG2-CG 4.41Å; T35-L39 WeakPolarHBondContact O-CB 3.36Å; T35-L39 VanDerWaalsContact O-CG 3.29Å; T35-L39 WeakPolarHBondContact O-CG 3.36Å; T35-L39 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 3.27Å; L39-H41 VanDerWaalsContact C-N 3.31Å; L39-H41 PolarHBondContact O-N 3.49Å; L39-E42 PolarHBondContact O-N 2.82Å; L39-A43 VanDerWaalsContact O-CB 3.29Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 3.31Å
40L96.9Very high95Very high7 Ų769.8 Ų69.84%0.03737%0.369CS..Hα-helixtrans-65.2-36.3174.9-67.1171.8000111.9T11 Y15 Y16 Q22 V36 A37 K44T11-L40 HydrophobicContact CG2-CD2 3.88Å; T11-L40 HydrophobicContact CG2-CG 3.92Å; Y15-L40 HydrophobicContact CD1-CD1 3.78Å; Y15-L40 HydrophobicContact CD1-CD2 3.96Å; Y15-L40 HydrophobicContact CD2-CD1 3.81Å; Y15-L40 HydrophobicContact CE1-CD1 4.13Å; Y15-L40 HydrophobicContact CE2-CD1 4.18Å; Y15-L40 HydrophobicContact CG-CD1 3.6Å; Y15-L40 HydrophobicContact CG-CD2 3.9Å; Y15-L40 HydrophobicContact CG-CG 4.43Å; Y16-L40 HydrophobicContact CD2-CD2 4.32Å; Y16-L40 HydrophobicContact CE2-CD2 3.72Å; Q22-L40 HydrophobicContact CG-CD1 4.2Å; V36-L40 HydrophobicContact CG1-CD1 4.05Å; V36-L40 HydrophobicContact CG1-CG 4.46Å; V36-L40 WeakPolarHBondContact O-CG 3.22Å; V36-L40 PolarHBondContact O-N 3.12Å; A37-L40 PolarHBondContact O-N 3.02Å; L40-K44 WeakPolarHBondContact O-CG 3.37Å; L40-K44 PolarHBondContact O-N 2.94Å
41H95.5Very high94.5Very high111 Ų11167.1 Ų67.151%0.51435%0.354SS..Hα-helixtrans-67-49.5174.1-172.672000111.3A37 S38 L39 A43 K44 E45A37-H41 WeakPolarHBondContact O-CB 3.45Å; A37-H41 PolarHBondContact O-N 2.83Å; S38-H41 PolarHBondContact O-N 3.35Å; L39-H41 VanDerWaalsContact C-N 3.31Å; L39-H41 PolarHBondContact O-N 3.49Å; H41-A43 VanDerWaalsContact C-N 3.26Å; H41-A43 PolarHBondContact O-N 3.44Å; H41-K44 WeakPolarHBondContact O-CB 3.47Å; H41-K44 PolarHBondContact O-N 3.07Å; H41-E45 IonicContact CD2-OE2 4Å; H41-E45 IonicContact NE2-OE1 3.82Å; H41-E45 PolarHBondContact O-N 3.42Å
42E95.5Very high93.9Very high29 Ų2969.2 Ų69.214%0.13637%0.369CS..Hα-helixtrans-59.5-37.3177.1-167.4-176.8157.100111.4R4 M8 S38 L39 K44 E45 K46R4-E42 IonicContact CZ-OE2 3.81Å; R4-E42 VanDerWaalsContact CZ-OE2 3.3Å; R4-E42 IonicContact NE-OE1 2.65Å; R4-E42 IonicContact NE-OE2 2.6Å; R4-E42 PolarHBondContact NE-OE2 3.25Å; R4-E42 IonicContact NH2-OE2 3.93Å; R4-E42 PolarHBondContact NH2-OE2 2.96Å; M8-E42 HydrophobicContact SD-CB 3.9Å; M8-E42 HydrophobicContact SD-CG 3.82Å; S38-E42 WeakPolarHBondContact O-CB 3.26Å; S38-E42 PolarHBondContact O-N 3.21Å; L39-E42 PolarHBondContact O-N 2.82Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 3.41Å; E42-E45 PolarHBondContact O-N 3.09Å; E42-K46 HydrophobicContact CG-CD 4.09Å; E42-K46 WeakPolarHBondContact O-CB 2.91Å; E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 3.37Å; E42-K46 WeakPolarHBondContact OE1-CE 3.33Å; E42-K46 IonicContact OE1-NZ 2.7Å; E42-K46 PolarHBondContact OE1-NZ 3.02Å
43A95.5Very high93.1Very high0 Ų072 Ų720%038%0.378CS..Hα-helixtrans-62.4-35.9175.900000112.4M8 A12 L39 H41 G47 I48 V49M8-A43 HydrophobicContact CG-CB 3.69Å; M8-A43 VanDerWaalsContact SD-CA 3.57Å; M8-A43 HydrophobicContact SD-CB 3.98Å; M8-A43 PolarHBondContact SD-N 3.41Å; M8-A43 VanDerWaalsContact SD-N 3.4Å; A12-A43 HydrophobicContact CB-CB 4.48Å; L39-A43 VanDerWaalsContact O-CB 3.29Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 3.31Å; H41-A43 VanDerWaalsContact C-N 3.26Å; H41-A43 PolarHBondContact O-N 3.44Å; A43-G47 PolarHBondContact O-N 2.71Å; A43-I48 HydrophobicContact CB-CB 4.4Å; A43-I48 WeakPolarHBondContact O-CA 3.32Å; A43-I48 WeakPolarHBondContact O-CB 3.38Å; A43-I48 PolarHBondContact O-N 2.76Å; A43-V49 HydrophobicContact CB-CB 4.3Å; A43-V49 HydrophobicContact CB-CG2 3.81Å; A43-V49 PolarHBondContact O-N 3.5Å
44K94Very high92.2Very high94 Ų9473.5 Ų73.541%0.40939%0.391SS..Hα-helixtrans-72.8-46174-67.6177.1-171.4-175.80111.6Y16 L40 H41 E42 K46 G47 V49 I51Y16-K44 WeakPolarHBondContact OH-CE 3.41Å; Y16-K44 PolarHBondContact OH-NZ 2.92Å; L40-K44 WeakPolarHBondContact O-CG 3.37Å; L40-K44 PolarHBondContact O-N 2.94Å; H41-K44 WeakPolarHBondContact O-CB 3.47Å; H41-K44 PolarHBondContact O-N 3.07Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 3.41Å; K44-K46 VanDerWaalsContact C-N 3.28Å; K44-K46 PolarHBondContact O-N 3.02Å; K44-G47 PolarHBondContact O-N 3.26Å; K44-V49 HydrophobicContact CG-CB 4.21Å; K44-V49 HydrophobicContact CG-CG1 4.16Å; K44-I51 HydrophobicContact CD-CD1 4.35Å; K44-I51 VanDerWaalsContact CE-CD1 3.43Å; K44-I51 VanDerWaalsContact NZ-CD1 3.35Å
45E93.5Very high91.4Very high145 Ų14574 Ų7468%0.67839%0.385SS*.Hα-helixtrans-59.8-39.3179.3-72-167.6130.100112.2H41 E42 G47H41-E45 IonicContact CD2-OE2 4Å; H41-E45 IonicContact NE2-OE1 3.82Å; H41-E45 PolarHBondContact O-N 3.42Å; E42-E45 PolarHBondContact O-N 3.09Å; E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 3Å
46K93.6Very high90.5Very high106 Ų10679.8 Ų79.846%0.46141%0.414SS..THydrogen-bonded Turntrans-79.8-2.3177.3-71.4-179.5169.9175.70114.3M8 E42 K44 I48M8-K46 HydrophobicContact CE-CD 3.87Å; M8-K46 HydrophobicContact SD-CD 4.29Å; E42-K46 HydrophobicContact CG-CD 4.09Å; E42-K46 WeakPolarHBondContact O-CB 2.91Å; E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 3.37Å; E42-K46 WeakPolarHBondContact OE1-CE 3.33Å; E42-K46 IonicContact OE1-NZ 2.7Å; E42-K46 PolarHBondContact OE1-NZ 3.02Å; K44-K46 VanDerWaalsContact C-N 3.28Å; K44-K46 PolarHBondContact O-N 3.02Å; K46-I48 HydrophobicContact CB-CD1 4.13Å; K46-I48 HydrophobicContact CB-CG1 4.21Å; K46-I48 HydrophobicContact CD-CD1 4.48Å; K46-I48 PolarHBondContact O-N 3.43Å
47G90Very high89.7Confident56 Ų5684.5 Ų84.558%0.57744%0.436SS*.THydrogen-bonded Turntrans71.710.2-177.800000115.1A43 K44 E45 V49A43-G47 PolarHBondContact O-N 2.71Å; K44-G47 PolarHBondContact O-N 3.26Å; E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 3Å; G47-V49 VanDerWaalsContact C-N 3.3Å
48I89.5Confident89.2Confident77 Ų7784.7 Ų84.740%0.39543%0.431SS..SBendtrans-66.4-38173.8-65168.7000109.9M8 L9 A43 K46M8-I48 HydrophobicContact CE-CD1 3.16Å; M8-I48 HydrophobicContact SD-CD1 3.92Å; L9-I48 HydrophobicContact CD1-CG2 4.25Å; A43-I48 HydrophobicContact CB-CB 4.4Å; A43-I48 WeakPolarHBondContact O-CA 3.32Å; A43-I48 WeakPolarHBondContact O-CB 3.38Å; A43-I48 PolarHBondContact O-N 2.76Å; K46-I48 HydrophobicContact CB-CD1 4.13Å; K46-I48 HydrophobicContact CB-CG1 4.21Å; K46-I48 HydrophobicContact CD-CD1 4.48Å; K46-I48 PolarHBondContact O-N 3.43Å
49V92.4Very high88.9Confident20 Ų2086.3 Ų86.312%0.12143%0.432CS..SBendtrans-111120.4171.6173.40000108.9A12 Y16 A43 K44 G47 I51A12-V49 HydrophobicContact CB-CG2 3.54Å; Y16-V49 HydrophobicContact CD2-CG1 3.84Å; Y16-V49 HydrophobicContact CD2-CG2 3.84Å; Y16-V49 HydrophobicContact CE2-CB 4.2Å; Y16-V49 HydrophobicContact CE2-CG1 3.53Å; Y16-V49 HydrophobicContact CE2-CG2 3.79Å; Y16-V49 HydrophobicContact CG-CG1 4.47Å; A43-V49 HydrophobicContact CB-CB 4.3Å; A43-V49 HydrophobicContact CB-CG2 3.81Å; A43-V49 PolarHBondContact O-N 3.5Å; K44-V49 HydrophobicContact CG-CB 4.21Å; K44-V49 HydrophobicContact CG-CG1 4.16Å; G47-V49 VanDerWaalsContact C-N 3.3Å; V49-I51 HydrophobicContact CG1-CG1 4.17Å
50K90Very high88.7Confident178 Ų17886.9 Ų86.977%0.77444%0.435SS*.  trans-111.5111168.9-173.5178.8-179.5179.60109.3T52K50-T52 PolarHBondContact O-N 2.98Å
51I85.5Confident88.5Confident97 Ų9790.7 Ų90.750%0.49746%0.455SS..  trans-80.6122171.3-60.8-179.1000108Y16 K44 V49Y16-I51 HydrophobicContact CE1-CD1 4.1Å; Y16-I51 HydrophobicContact CE1-CG1 4.5Å; K44-I51 HydrophobicContact CD-CD1 4.35Å; K44-I51 VanDerWaalsContact CE-CD1 3.43Å; K44-I51 VanDerWaalsContact NZ-CD1 3.35Å; V49-I51 HydrophobicContact CG1-CG1 4.17Å
52T83.6Confident88.5Confident85 Ų8591.6 Ų91.652%0.52146%0.457SS..  trans-117.9119.2172.8-540000107.9K50 Q54K50-T52 PolarHBondContact O-N 2.98Å; T52-Q54 HydrophobicContact CG2-CG 3.83Å
53I81.4Confident88.6Confident117 Ų11791.3 Ų91.360%0.646%0.457SS*.  trans-87.3115.6168.6-60.9170000106.3L58I53-L58 HydrophobicContact CB-CD2 3.92Å; I53-L58 HydrophobicContact CG2-CD1 4.25Å; I53-L58 HydrophobicContact CG2-CD2 4.06Å; I53-L58 VanDerWaalsContact O-CD2 3.24Å; I53-L58 WeakPolarHBondContact O-CD2 3.24Å
54Q77.3Confident88.7Confident177 Ų17792.5 Ų92.583%0.82746%0.463SS*.  trans-10398.7177.2-64-176.6-3.800108.4T52T52-Q54 HydrophobicContact CG2-CG 3.83Å
55H80.1Confident88.9Confident108 Ų10892.9 Ų92.950%0.547%0.466SS..  trans-140.3133.7171.8-168.1-89.2000108.4E57 L58H55-E57 IonicContact CE1-OE2 2.75Å; H55-E57 PolarHBondContact ND1-N 3.11Å; H55-E57 VanDerWaalsContact ND1-N 3.18Å; H55-E57 PolarHBondContact O-N 3.2Å; H55-E57 VanDerWaalsContact O-N 3.11Å; H55-L58 HydrophobicContact CB-CB 4.23Å; H55-L58 VanDerWaalsContact O-CB 3.32Å; H55-L58 WeakPolarHBondContact O-CB 3.32Å; H55-L58 PolarHBondContact O-N 3.02Å
56N76.9Confident89.1Confident169 Ų16989.6 Ų89.690%0.90446%0.456SS*.THydrogen-bonded Turntrans-60.3-26.1-175.2-69.1-10.6000112.6
57E81.9Confident89.3Confident100 Ų10084.7 Ų84.747%0.46743%0.434SS..THydrogen-bonded Turntrans-101.85.8179.9-54.6-176.9161.300113.6H55 H59 L60 L61H55-E57 IonicContact CE1-OE2 2.75Å; H55-E57 PolarHBondContact ND1-N 3.11Å; H55-E57 VanDerWaalsContact ND1-N 3.18Å; H55-E57 PolarHBondContact O-N 3.2Å; H55-E57 VanDerWaalsContact O-N 3.11Å; E57-H59 PolarHBondContact O-N 2.75Å; E57-L60 HydrophobicContact CB-CD1 4.38Å; E57-L60 HydrophobicContact CG-CD1 4.44Å; E57-L60 WeakPolarHBondContact O-CB 3.43Å; E57-L60 PolarHBondContact O-N 3.49Å; E57-L61 PolarHBondContact O-N 2.98Å
58L86.4Confident89.7Confident42 Ų4283.8 Ų83.822%0.2242%0.416CS..Hα-helixtrans-57.3-37-180-179.963.8000111.9I53 H55 L61 K62I53-L58 HydrophobicContact CB-CD2 3.92Å; I53-L58 HydrophobicContact CG2-CD1 4.25Å; I53-L58 HydrophobicContact CG2-CD2 4.06Å; I53-L58 VanDerWaalsContact O-CD2 3.24Å; I53-L58 WeakPolarHBondContact O-CD2 3.24Å; H55-L58 HydrophobicContact CB-CB 4.23Å; H55-L58 VanDerWaalsContact O-CB 3.32Å; H55-L58 WeakPolarHBondContact O-CB 3.32Å; H55-L58 PolarHBondContact O-N 3.02Å; L58-L61 PolarHBondContact O-N 3.4Å; L58-K62 WeakPolarHBondContact O-CG 3.35Å; L58-K62 PolarHBondContact O-N 3.01Å; L58-K62 VanDerWaalsContact O-N 3.09Å
59H90.2Very high90.1Very high93 Ų9387.3 Ų87.343%0.43143%0.431SS..Hα-helixtrans-61.6-43.3175.6172.354.3000111.9E57 K62 L63 E300 E304E57-H59 PolarHBondContact O-N 2.75Å; H59-K62 PolarHBondContact O-N 2.96Å; H59-L63 WeakPolarHBondContact O-CB 3.33Å; H59-L63 PolarHBondContact O-N 3.41Å; H59-E300 IonicContact CD2-OE1 2.76Å; H59-E304 IonicContact NE2-OE1 3.3Å
60L93.3Very high90.4Very high14 Ų1491.9 Ų91.97%0.07345%0.449CS..Hα-helixtrans-65.6-42.9179.1-59.5179.1000111.3E57 K62 L63 Q64 I78 A80 E300E57-L60 HydrophobicContact CB-CD1 4.38Å; E57-L60 HydrophobicContact CG-CD1 4.44Å; E57-L60 WeakPolarHBondContact O-CB 3.43Å; E57-L60 PolarHBondContact O-N 3.49Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.27Å; L60-L63 PolarHBondContact O-N 3.01Å; L60-L63 VanDerWaalsContact O-N 3.16Å; L60-Q64 VanDerWaalsContact O-CG 3.3Å; L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.09Å; L60-I78 HydrophobicContact CD2-CB 4.37Å; L60-I78 HydrophobicContact CD2-CG2 3.84Å; L60-A80 HydrophobicContact CD1-CB 3.61Å; L60-E300 HydrophobicContact CD2-CB 4.15Å; L60-E300 HydrophobicContact CD2-CG 3.77Å
61L93.4Very high90.8Very high87 Ų8784.4 Ų84.446%0.45542%0.416SS..Hα-helixtrans-57.9-46.3174.6-68.9177.2000111.3E57 L58 L63 Q64 E65E57-L61 PolarHBondContact O-N 2.98Å; L58-L61 PolarHBondContact O-N 3.4Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 3.3Å; L61-Q64 WeakPolarHBondContact O-CB 3.45Å; L61-Q64 PolarHBondContact O-N 3.42Å; L61-E65 WeakPolarHBondContact O-CG 3.47Å; L61-E65 PolarHBondContact O-N 2.65Å
62K94.6Very high91.4Very high129 Ų12987.7 Ų87.756%0.56143%0.429SS*.Hα-helixtrans-61.8-40176.1-72.2179.4177.4-174.60112.6L58 H59 L60 E65 T66L58-K62 WeakPolarHBondContact O-CG 3.35Å; L58-K62 PolarHBondContact O-N 3.01Å; L58-K62 VanDerWaalsContact O-N 3.09Å; H59-K62 PolarHBondContact O-N 2.96Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.27Å; K62-E65 PolarHBondContact O-N 2.93Å; K62-T66 WeakPolarHBondContact O-CB 3.42Å; K62-T66 PolarHBondContact O-N 3.16Å; K62-T66 PolarHBondContact O-OG1 3.36Å
63L96.5Very high92.1Very high23 Ų2384 Ų8412%0.1241%0.407CS..Hα-helixtrans-68.1-39.5179.4-17155.7000111.3H59 L60 L61 T66 L67 I78 A303 E304H59-L63 WeakPolarHBondContact O-CB 3.33Å; H59-L63 PolarHBondContact O-N 3.41Å; L60-L63 PolarHBondContact O-N 3.01Å; L60-L63 VanDerWaalsContact O-N 3.16Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 3.3Å; L63-T66 PolarHBondContact O-N 2.6Å; L63-L67 HydrophobicContact CG-CD1 4.43Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.12Å; L63-L67 PolarHBondContact O-N 3.41Å; L63-I78 HydrophobicContact CB-CD1 3.85Å; L63-I78 HydrophobicContact CD2-CD1 3.9Å; L63-I78 HydrophobicContact CG-CD1 3.72Å; L63-A303 HydrophobicContact CD2-CB 3.45Å; L63-A303 VanDerWaalsContact CD2-CB 3.45Å; L63-A303 HydrophobicContact CG-CB 3.98Å; L63-E304 HydrophobicContact CD2-CG 4.22Å
64Q98.1Very high93Very high26 Ų2683.3 Ų83.312%0.12140%0.404CS..Hα-helixtrans-57.9-52.9171.7-72.5173.3-175.200111.6L60 L61 T66 L67 I68 V76 I78L60-Q64 VanDerWaalsContact O-CG 3.3Å; L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.09Å; L61-Q64 WeakPolarHBondContact O-CB 3.45Å; L61-Q64 PolarHBondContact O-N 3.42Å; Q64-T66 VanDerWaalsContact C-N 3.3Å; Q64-T66 PolarHBondContact O-N 3.2Å; Q64-L67 PolarHBondContact O-N 2.65Å; Q64-L67 VanDerWaalsContact O-N 3.16Å; Q64-I68 WeakPolarHBondContact O-CB 3.45Å; Q64-I68 VanDerWaalsContact O-CG1 3.31Å; Q64-I68 WeakPolarHBondContact O-CG1 3.45Å; Q64-I68 PolarHBondContact O-N 3.48Å; Q64-V76 HydrophobicContact CB-CB 4.16Å; Q64-V76 HydrophobicContact CB-CG1 4.38Å; Q64-V76 HydrophobicContact CG-CB 4.18Å; Q64-V76 HydrophobicContact CG-CG1 4.03Å; Q64-V76 WeakPolarHBondContact CG-O 3.48Å; Q64-V76 PolarHBondContact NE2-O 3.03Å; Q64-I78 HydrophobicContact CG-CD1 3.65Å; Q64-I78 HydrophobicContact CG-CG1 3.73Å
65E97.8Very high94Very high102 Ų10277.5 Ų77.548%0.47738%0.379SS..Hα-helixtrans-59-42178.3-64.8-55.2134.900111.5L61 K62 L67 I68 E69L61-E65 WeakPolarHBondContact O-CG 3.47Å; L61-E65 PolarHBondContact O-N 2.65Å; K62-E65 PolarHBondContact O-N 2.93Å; E65-L67 VanDerWaalsContact C-N 3.33Å; E65-L67 PolarHBondContact O-N 2.65Å; E65-I68 WeakPolarHBondContact O-CB 3.5Å; E65-I68 PolarHBondContact O-N 2.76Å; E65-E69 WeakPolarHBondContact O-CG 3.3Å; E65-E69 PolarHBondContact O-N 3.18Å
66T98.1Very high94.8Very high76 Ų7672.5 Ų72.547%0.46636%0.356SS..Hα-helixtrans-60.1-42.3177.3-57.40000111.7K62 L63 Q64 K70K62-T66 WeakPolarHBondContact O-CB 3.42Å; K62-T66 PolarHBondContact O-N 3.16Å; K62-T66 PolarHBondContact O-OG1 3.36Å; L63-T66 PolarHBondContact O-N 2.6Å; Q64-T66 VanDerWaalsContact C-N 3.3Å; Q64-T66 PolarHBondContact O-N 3.2Å; T66-K70 WeakPolarHBondContact O-CB 3.31Å; T66-K70 PolarHBondContact O-N 2.95Å
67L98.6Very high95.9Very high2 Ų267.8 Ų67.81%0.0133%0.327CS..Hα-helixtrans-73.2-37.5179.2-68174.2000112.3L63 Q64 E65 K70 Y71 V76 I78 I298 A303 L306L63-L67 HydrophobicContact CG-CD1 4.43Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.12Å; L63-L67 PolarHBondContact O-N 3.41Å; Q64-L67 PolarHBondContact O-N 2.65Å; Q64-L67 VanDerWaalsContact O-N 3.16Å; E65-L67 VanDerWaalsContact C-N 3.33Å; E65-L67 PolarHBondContact O-N 2.65Å; L67-K70 PolarHBondContact O-N 3.49Å; L67-Y71 HydrophobicContact CD2-CD2 4.06Å; L67-Y71 HydrophobicContact CD2-CE2 3.82Å; L67-Y71 PolarHBondContact O-N 3.38Å; L67-V76 HydrophobicContact CB-CG1 4.41Å; L67-V76 HydrophobicContact CB-CG2 4.06Å; L67-V76 HydrophobicContact CD1-CG1 4.12Å; L67-I78 HydrophobicContact CD1-CD1 4.42Å; L67-I298 HydrophobicContact CD1-CD1 4.09Å; L67-A303 HydrophobicContact CD1-CB 4.01Å; L67-L306 HydrophobicContact CD1-CD1 4.4Å; L67-L306 HydrophobicContact CD2-CB 3.65Å; L67-L306 HydrophobicContact CD2-CD1 4.2Å
68I98.6Very high96.6Very high37 Ų3763.4 Ų63.419%0.1931%0.307CS..Hα-helixtrans-55.5-52.6172.1-75.9169.3000109.8Q64 E65 Q72 L73 V76Q64-I68 WeakPolarHBondContact O-CB 3.45Å; Q64-I68 VanDerWaalsContact O-CG1 3.31Å; Q64-I68 WeakPolarHBondContact O-CG1 3.45Å; Q64-I68 PolarHBondContact O-N 3.48Å; E65-I68 WeakPolarHBondContact O-CB 3.5Å; E65-I68 PolarHBondContact O-N 2.76Å; I68-Q72 WeakPolarHBondContact O-CA 3.43Å; I68-Q72 PolarHBondContact O-N 3.34Å; I68-L73 WeakPolarHBondContact CG2-O 3.49Å; I68-L73 PolarHBondContact O-N 2.73Å; I68-L73 VanDerWaalsContact O-N 3.13Å; I68-V76 HydrophobicContact CD1-CG2 4.46Å; I68-V76 HydrophobicContact CG1-CB 4.14Å; I68-V76 HydrophobicContact CG1-CG2 3.61Å
69E98.3Very high97.1Very high152 Ų15261.5 Ų61.571%0.7130%0.297SS*.Hα-helixtrans-66.4-45.7-179.6-70.3179.7178.200112.1E65 Y71E65-E69 WeakPolarHBondContact O-CG 3.3Å; E65-E69 PolarHBondContact O-N 3.18Å; E69-Y71 PolarHBondContact O-N 3Å
70K98.4Very high97.3Very high115 Ų11557.5 Ų57.550%0.528%0.28SS..Hα-helixtrans-64.7-38.3-175.6-179.9174.4174.1-1800113.3T66 L67 L306T66-K70 WeakPolarHBondContact O-CB 3.31Å; T66-K70 PolarHBondContact O-N 2.95Å; L67-K70 PolarHBondContact O-N 3.49Å; K70-L306 PolarHBondContact NZ-O 2.95Å; K70-L306 PolarHBondContact NZ-OXT 3.3Å
71Y98.4Very high97.2Very high22 Ų2261 Ų619%0.08630%0.295CS..Hα-helixtrans-112.94.6-174.3-64.7-69.3000113.9L67 E69 L73 Q285 L288 K289 L306L67-Y71 HydrophobicContact CD2-CD2 4.06Å; L67-Y71 HydrophobicContact CD2-CE2 3.82Å; L67-Y71 PolarHBondContact O-N 3.38Å; E69-Y71 PolarHBondContact O-N 3Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 2.66Å; Y71-Q285 WeakPolarHBondContact OH-CG 3.49Å; Y71-L288 HydrophobicContact CD1-CB 3.59Å; Y71-L288 HydrophobicContact CD1-CD1 4.44Å; Y71-L288 HydrophobicContact CD1-CG 4.47Å; Y71-L288 HydrophobicContact CD2-CD1 3.98Å; Y71-L288 HydrophobicContact CE1-CB 3.77Å; Y71-L288 HydrophobicContact CE1-CD1 4.41Å; Y71-L288 HydrophobicContact CE2-CD1 3.96Å; Y71-L288 HydrophobicContact CG-CB 4.01Å; Y71-L288 HydrophobicContact CG-CD1 4.22Å; Y71-L288 HydrophobicContact CG-CD2 4.32Å; Y71-L288 HydrophobicContact CG-CG 4.43Å; Y71-K289 HydrophobicContact CE1-CG 4.48Å; Y71-L306 HydrophobicContact CE2-CB 4.22Å; Y71-L306 PolarHBondContact OH-OXT 3.37Å
72Q98.2Very high97Very high165 Ų16562.1 Ų62.177%0.77131%0.309SS*.THydrogen-bonded Turntrans56.243.3-179.9-57178.3-0.600112.8I68I68-Q72 WeakPolarHBondContact O-CA 3.43Å; I68-Q72 PolarHBondContact O-N 3.34Å
73L98.7Very high96.7Very high9 Ų960.3 Ų60.35%0.04730%0.303CS..  trans-84.7154179.3-56172.1000110.7I68 Y71 V76 L288 I293 L296I68-L73 WeakPolarHBondContact CG2-O 3.49Å; I68-L73 PolarHBondContact O-N 2.73Å; I68-L73 VanDerWaalsContact O-N 3.13Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 2.66Å; L73-V76 HydrophobicContact CB-CG2 4.19Å; L73-V76 HydrophobicContact CD1-CG2 3.47Å; L73-V76 VanDerWaalsContact CD1-CG2 3.47Å; L73-V76 HydrophobicContact CG-CG2 4.47Å; L73-L288 HydrophobicContact CD1-CD2 3.98Å; L73-L288 HydrophobicContact CD2-CD2 3.85Å; L73-L288 HydrophobicContact CG-CD2 4.42Å; L73-I293 HydrophobicContact CD2-CB 4.21Å; L73-I293 HydrophobicContact CD2-CG2 3.95Å; L73-I293 VanDerWaalsContact CD2-O 3.27Å; L73-I293 WeakPolarHBondContact CD2-O 3.35Å; L73-L296 HydrophobicContact CD1-CB 3.89Å; L73-L296 HydrophobicContact CD1-CD2 4.03Å
74N98.4Very high96.3Very high101 Ų10169.5 Ų69.554%0.5434%0.342SS..SBendtrans-77-44.9172.5-65.7-25.5000111.2T294N74-T294 WeakPolarHBondContact CB-O 3.02Å; N74-T294 PolarHBondContact N-O 2.83Å
75N98.4Very high96.2Very high56 Ų5672.2 Ų72.230%0.29936%0.357SS..EExtended strand (participates in β ladder)trans-144.1143.8-179.3-57.7-86.9000111.6L97 M101 D295 L296N75-L97 HydrophobicContact CB-CD1 3.55Å; N75-L97 HydrophobicContact CB-CD2 4.33Å; N75-M101 WeakPolarHBondContact ND2-CE 3.49Å; N75-D295 VanDerWaalsContact CB-OD1 3.3Å; N75-D295 WeakPolarHBondContact CB-OD1 3.49Å; N75-D295 PolarHBondContact N-OD1 3.41Å; N75-D295 PolarHBondContact ND2-OD1 3.29Å; N75-D295 WeakPolarHBondContact O-CA 3.39Å; N75-L296 PolarHBondContact O-N 3.36Å
76V98.6Very high96Very high3 Ų370 Ų702%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-128.2133.1169.4-178.50000108.9Q64 L67 I68 L73 I78 L296Q64-V76 HydrophobicContact CB-CB 4.16Å; Q64-V76 HydrophobicContact CB-CG1 4.38Å; Q64-V76 HydrophobicContact CG-CB 4.18Å; Q64-V76 HydrophobicContact CG-CG1 4.03Å; Q64-V76 WeakPolarHBondContact CG-O 3.48Å; Q64-V76 PolarHBondContact NE2-O 3.03Å; L67-V76 HydrophobicContact CB-CG1 4.41Å; L67-V76 HydrophobicContact CB-CG2 4.06Å; L67-V76 HydrophobicContact CD1-CG1 4.12Å; I68-V76 HydrophobicContact CD1-CG2 4.46Å; I68-V76 HydrophobicContact CG1-CB 4.14Å; I68-V76 HydrophobicContact CG1-CG2 3.61Å; L73-V76 HydrophobicContact CB-CG2 4.19Å; L73-V76 HydrophobicContact CD1-CG2 3.47Å; L73-V76 VanDerWaalsContact CD1-CG2 3.47Å; L73-V76 HydrophobicContact CG-CG2 4.47Å; V76-I78 HydrophobicContact CG1-CD1 4.41Å; V76-I78 HydrophobicContact CG1-CG1 4.03Å; V76-L296 CarbonylContact C-O 3.49Å; V76-L296 VanDerWaalsContact CA-O 3.29Å; V76-L296 WeakPolarHBondContact CA-O 3.49Å; V76-L296 HydrophobicContact CG2-CB 4.27Å
77K98.2Very high95.8Very high70 Ų7069.5 Ų69.530%0.30434%0.338SS..EExtended strand (participates in β ladder)trans-122.9133.8171.3-60.5-64-178.1-177.50109.9L93 L97 L296 V297 I298K77-L93 HydrophobicContact CB-CB 4Å; K77-L93 HydrophobicContact CB-CD1 4.28Å; K77-L93 HydrophobicContact CB-CD2 4.34Å; K77-L93 HydrophobicContact CB-CG 4.45Å; K77-L97 HydrophobicContact CG-CB 4.29Å; K77-L97 HydrophobicContact CG-CD2 4.14Å; K77-L296 PolarHBondContact N-O 3.36Å; K77-V297 HydrophobicContact CB-CG1 4.32Å; K77-V297 HydrophobicContact CB-CG2 4.25Å; K77-V297 WeakPolarHBondContact O-CA 3.41Å; K77-I298 PolarHBondContact O-N 3.13Å
78I98.2Very high95.7Very high8 Ų870.2 Ų70.24%0.04134%0.344CS..EExtended strand (participates in β ladder)trans-120.6120-175.8-56.2175.8000110.9L60 L63 Q64 L67 V76 A80 I298 E300 A303L60-I78 HydrophobicContact CD2-CB 4.37Å; L60-I78 HydrophobicContact CD2-CG2 3.84Å; L63-I78 HydrophobicContact CB-CD1 3.85Å; L63-I78 HydrophobicContact CD2-CD1 3.9Å; L63-I78 HydrophobicContact CG-CD1 3.72Å; Q64-I78 HydrophobicContact CG-CD1 3.65Å; Q64-I78 HydrophobicContact CG-CG1 3.73Å; L67-I78 HydrophobicContact CD1-CD1 4.42Å; V76-I78 HydrophobicContact CG1-CD1 4.41Å; V76-I78 HydrophobicContact CG1-CG1 4.03Å; I78-A80 PolarHBondContact O-N 3.16Å; I78-I298 CarbonylContact C-O 3.58Å; I78-I298 VanDerWaalsContact CA-O 3.26Å; I78-I298 WeakPolarHBondContact CA-O 3.42Å; I78-I298 HydrophobicContact CG1-CG1 4.44Å; I78-E300 VanDerWaalsContact CG2-CA 3.46Å; I78-E300 HydrophobicContact CG2-CB 3.77Å; I78-A303 HydrophobicContact CD1-CB 3.73Å; I78-A303 HydrophobicContact CG1-CB 4.22Å; I78-A303 HydrophobicContact CG2-CB 4.19Å
79A96.7Very high95.6Very high2 Ų269.2 Ų69.22%0.01734%0.341CS..EExtended strand (participates in β ladder)trans-73.9116.2168.900000109.9A89 A90 L93 I298 D299 E300A79-A89 HydrophobicContact CB-CB 3.91Å; A79-A90 HydrophobicContact CB-CB 4.3Å; A79-L93 HydrophobicContact CB-CD1 4.06Å; A79-I298 PolarHBondContact N-O 3Å; A79-D299 HydrophobicContact CB-CB 4.33Å; A79-D299 WeakPolarHBondContact O-CA 3.43Å; A79-E300 PolarHBondContact O-N 2.91Å
80A94.1Very high95.6Very high9 Ų962 Ų627%0.07431%0.307CS..  trans-62.5149.2-17700000113.1L60 I78 S82 Q83 E300L60-A80 HydrophobicContact CD1-CB 3.61Å; I78-A80 PolarHBondContact O-N 3.16Å; A80-S82 PolarHBondContact O-N 3.04Å; A80-Q83 HydrophobicContact CB-CG 4.25Å; A80-Q83 WeakPolarHBondContact O-CB 3.44Å; A80-Q83 WeakPolarHBondContact O-CG 3.33Å; A80-Q83 PolarHBondContact O-N 3.37Å; A80-E300 WeakPolarHBondContact CA-OE2 3.45Å
81K91.3Very high95.6Very high88 Ų8856.5 Ų56.538%0.38328%0.284SS..THydrogen-bonded Turntrans-58.5-28.6172.9-79.1171.3-174.8164.70113.7Q83 E300 E304K81-Q83 PolarHBondContact O-N 3.37Å; K81-E300 WeakPolarHBondContact CB-OE2 3.42Å; K81-E300 HydrophobicContact CD-CG 4.19Å; K81-E300 WeakPolarHBondContact CD-OE1 3.31Å; K81-E300 HydrophobicContact CG-CB 4.03Å; K81-E300 HydrophobicContact CG-CG 4.08Å; K81-E300 WeakPolarHBondContact CG-OE2 3.42Å; K81-E300 PolarHBondContact N-OE2 3.44Å; K81-E300 IonicContact NZ-OE1 3.95Å; K81-E304 WeakPolarHBondContact CE-OE2 3.44Å; K81-E304 IonicContact NZ-OE1 3.59Å; K81-E304 PolarHBondContact NZ-OE1 2.82Å; K81-E304 IonicContact NZ-OE2 2.7Å; K81-E304 PolarHBondContact NZ-OE2 3.43Å
82S88.7Confident95.5Very high109 Ų10958.6 Ų58.676%0.76229%0.293SS*.THydrogen-bonded Turntrans-68.9-16.7178.356.40000113.2A80 K84A80-S82 PolarHBondContact O-N 3.04Å; S82-K84 PolarHBondContact O-N 2.88Å
83Q88.9Confident95.5Very high92 Ų9252.9 Ų52.943%0.4327%0.267SS..  trans-70.1125.4177.2-63.4-66.3-9.700110.3A80 K81 D85 A89A80-Q83 HydrophobicContact CB-CG 4.25Å; A80-Q83 WeakPolarHBondContact O-CB 3.44Å; A80-Q83 WeakPolarHBondContact O-CG 3.33Å; A80-Q83 PolarHBondContact O-N 3.37Å; K81-Q83 PolarHBondContact O-N 3.37Å; Q83-D85 VanDerWaalsContact C-N 3.31Å; Q83-D85 PolarHBondContact O-N 3.04Å; Q83-A89 HydrophobicContact CB-CB 4Å; Q83-A89 HydrophobicContact CG-CB 3.83Å
84K88.8Confident95.5Very high215 Ų21552.4 Ų52.494%0.93527%0.265SS*.SBendtrans-60.9-41.9179.5-176.7-178.3176.7-175.30111.8S82S82-K84 PolarHBondContact O-N 2.88Å
85D94.1Very high95.5Very high83 Ų8347.6 Ų47.644%0.44424%0.239SC..  trans-117.995173.1-167.6-27.9000109.6Q83 K87 A88 A89Q83-D85 VanDerWaalsContact C-N 3.31Å; Q83-D85 PolarHBondContact O-N 3.04Å; D85-K87 PolarHBondContact O-N 3.36Å; D85-K87 WeakPolarHBondContact OD1-CA 3.41Å; D85-K87 WeakPolarHBondContact OD1-CB 3.3Å; D85-K87 PolarHBondContact OD1-N 3.2Å; D85-A88 HydrophobicContact CB-CB 3.89Å; D85-A88 PolarHBondContact O-N 2.84Å; D85-A88 PolarHBondContact OD1-N 3.3Å; D85-A89 WeakPolarHBondContact O-CB 3.48Å; D85-A89 PolarHBondContact O-N 3.33Å
86K94.2Very high95.5Very high55 Ų5548.7 Ų48.724%0.23925%0.245CC..Hα-helixtrans-62.2-29.1179.2-60.9173.9-174.4170.90112.1A90 D299 E301K86-A90 WeakPolarHBondContact O-CB 3.38Å; K86-A90 PolarHBondContact O-N 3.39Å; K86-D299 HydrophobicContact CB-CB 4.33Å; K86-D299 HydrophobicContact CD-CB 4.34Å; K86-E301 IonicContact NZ-OE2 2.97Å; K86-E301 PolarHBondContact NZ-OE2 3.04Å
87K94.2Very high95.5Very high67 Ų6749.1 Ų49.129%0.29125%0.247SC..Hα-helixtrans-75.8-44.8-178.3-162.6-171.5-64.8174.30110.7D85 A89 A90 G91 S114 T115 E118D85-K87 PolarHBondContact O-N 3.36Å; D85-K87 WeakPolarHBondContact OD1-CA 3.41Å; D85-K87 WeakPolarHBondContact OD1-CB 3.3Å; D85-K87 PolarHBondContact OD1-N 3.2Å; K87-A89 VanDerWaalsContact C-N 3.31Å; K87-A89 PolarHBondContact O-N 2.91Å; K87-A90 PolarHBondContact O-N 3.29Å; K87-G91 PolarHBondContact O-N 2.79Å; K87-S114 PolarHBondContact NZ-OG 3Å; K87-T115 HydrophobicContact CG-CG2 3.94Å; K87-E118 HydrophobicContact CB-CG 4.19Å; K87-E118 HydrophobicContact CD-CG 3.89Å; K87-E118 HydrophobicContact CG-CB 4.46Å; K87-E118 HydrophobicContact CG-CG 3.72Å; K87-E118 WeakPolarHBondContact O-CB 3.34Å
88A96.8Very high95.4Very high16 Ų1645.8 Ų45.813%0.13223%0.233CC..Hα-helixtrans-58.8-44.9171.400000111.1D85 A90 G91 K92D85-A88 HydrophobicContact CB-CB 3.89Å; D85-A88 PolarHBondContact O-N 2.84Å; D85-A88 PolarHBondContact OD1-N 3.3Å; A88-A90 PolarHBondContact O-N 2.94Å; A88-G91 PolarHBondContact O-N 3.4Å; A88-K92 PolarHBondContact O-N 3.06Å
89A97Very high95.4Very high17 Ų1746.1 Ų46.114%0.1423%0.234CC..Hα-helixtrans-60.6-44.8176.200000112.6A79 Q83 D85 K87 G91 K92 L93A79-A89 HydrophobicContact CB-CB 3.91Å; Q83-A89 HydrophobicContact CB-CB 4Å; Q83-A89 HydrophobicContact CG-CB 3.83Å; D85-A89 WeakPolarHBondContact O-CB 3.48Å; D85-A89 PolarHBondContact O-N 3.33Å; K87-A89 VanDerWaalsContact C-N 3.31Å; K87-A89 PolarHBondContact O-N 2.91Å; A89-G91 VanDerWaalsContact C-N 3.35Å; A89-K92 PolarHBondContact O-N 3.34Å; A89-L93 WeakPolarHBondContact O-CB 3.26Å; A89-L93 VanDerWaalsContact O-CG 3.29Å; A89-L93 WeakPolarHBondContact O-CG 3.32Å; A89-L93 PolarHBondContact O-N 3.43Å
90A97.6Very high95.5Very high0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-63.5-39.5174.400000112.1A79 K86 K87 A88 L93 C94 T115 T276 V297A79-A90 HydrophobicContact CB-CB 4.3Å; K86-A90 WeakPolarHBondContact O-CB 3.38Å; K86-A90 PolarHBondContact O-N 3.39Å; K87-A90 PolarHBondContact O-N 3.29Å; A88-A90 PolarHBondContact O-N 2.94Å; A90-L93 PolarHBondContact O-N 3.3Å; A90-C94 WeakPolarHBondContact O-CB 3.4Å; A90-C94 PolarHBondContact O-N 3.01Å; A90-T115 HydrophobicContact CB-CG2 4.43Å; A90-T276 HydrophobicContact CB-CG2 3.5Å; A90-T276 VanDerWaalsContact CB-CG2 3.5Å; A90-V297 HydrophobicContact CB-CG1 4.24Å; A90-V297 VanDerWaalsContact O-CG1 3.3Å; A90-V297 WeakPolarHBondContact O-CG1 3.22Å
91G97.7Very high95.6Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-58.4-47.5173.700000112.3K87 A88 A89 C94 A95 Y119K87-G91 PolarHBondContact O-N 2.79Å; A88-G91 PolarHBondContact O-N 3.4Å; A89-G91 VanDerWaalsContact C-N 3.35Å; G91-C94 WeakPolarHBondContact O-CB 3.32Å; G91-C94 PolarHBondContact O-N 3.42Å; G91-A95 PolarHBondContact O-N 2.77Å; G91-Y119 WeakPolarHBondContact O-CA 3.46Å
92K97.6Very high95.9Very high66 Ų6646.8 Ų46.829%0.28724%0.244SC..Hα-helixtrans-62.9-46.4176.3-178.454.6-179.21570112.6A88 A89 C94 A95 D96 H122A88-K92 PolarHBondContact O-N 3.06Å; A89-K92 PolarHBondContact O-N 3.34Å; K92-C94 PolarHBondContact O-N 3.02Å; K92-A95 PolarHBondContact O-N 3.13Å; K92-A95 VanDerWaalsContact O-N 3.15Å; K92-D96 WeakPolarHBondContact CE-OD1 3.19Å; K92-D96 WeakPolarHBondContact CE-OD2 3.45Å; K92-D96 IonicContact NZ-OD1 2.71Å; K92-D96 PolarHBondContact NZ-OD1 3.39Å; K92-D96 IonicContact NZ-OD2 2.68Å; K92-D96 PolarHBondContact O-N 3.01Å; K92-H122 HydrophobicContact CB-CB 4.09Å; K92-H122 HydrophobicContact CD-CB 3.97Å
93L98.3Very high96.3Very high44 Ų4449.2 Ų49.223%0.2324%0.241CC..Hα-helixtrans-59.3-35.9175.8-73.9171.6000112.2K77 A79 A89 A90 L97 V297K77-L93 HydrophobicContact CB-CB 4Å; K77-L93 HydrophobicContact CB-CD1 4.28Å; K77-L93 HydrophobicContact CB-CD2 4.34Å; K77-L93 HydrophobicContact CB-CG 4.45Å; A79-L93 HydrophobicContact CB-CD1 4.06Å; A89-L93 WeakPolarHBondContact O-CB 3.26Å; A89-L93 VanDerWaalsContact O-CG 3.29Å; A89-L93 WeakPolarHBondContact O-CG 3.32Å; A89-L93 PolarHBondContact O-N 3.43Å; A90-L93 PolarHBondContact O-N 3.3Å; L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 PolarHBondContact O-N 3.34Å; L93-V297 HydrophobicContact CB-CG1 3.92Å
94C98.6Very high96.6Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-63.9-50173.7-174.60000111.2A90 G91 K92 D96 L97 I98 Y119 V274 V297A90-C94 WeakPolarHBondContact O-CB 3.4Å; A90-C94 PolarHBondContact O-N 3.01Å; G91-C94 WeakPolarHBondContact O-CB 3.32Å; G91-C94 PolarHBondContact O-N 3.42Å; K92-C94 PolarHBondContact O-N 3.02Å; C94-D96 VanDerWaalsContact C-N 3.34Å; C94-D96 PolarHBondContact O-N 3.45Å; C94-L97 PolarHBondContact O-N 2.78Å; C94-I98 WeakPolarHBondContact O-CG1 3.32Å; C94-I98 PolarHBondContact O-N 2.87Å; C94-Y119 HydrophobicContact CB-CD2 4.12Å; C94-Y119 HydrophobicContact CB-CG 4.3Å; C94-V274 HydrophobicContact CB-CG1 4.45Å; C94-V274 HydrophobicContact CB-CG2 4.21Å; C94-V274 VanDerWaalsContact SG-CG2 3.59Å; C94-V297 HydrophobicContact CB-CG1 4.33Å; C94-V297 HydrophobicContact CB-CG2 4.27Å
95A98.2Very high97.1Very high0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-56.6-47.7177.500000111.8G91 K92 L97 I98 E99 Y119G91-A95 PolarHBondContact O-N 2.77Å; K92-A95 PolarHBondContact O-N 3.13Å; K92-A95 VanDerWaalsContact O-N 3.15Å; A95-L97 VanDerWaalsContact C-N 3.26Å; A95-L97 PolarHBondContact O-N 3.43Å; A95-I98 PolarHBondContact O-N 2.85Å; A95-E99 WeakPolarHBondContact O-CB 3.47Å; A95-E99 VanDerWaalsContact O-CG 3.23Å; A95-E99 WeakPolarHBondContact O-CG 3.38Å; A95-E99 PolarHBondContact O-N 3.42Å; A95-Y119 HydrophobicContact CB-CD2 3.92Å; A95-Y119 HydrophobicContact CB-CE2 4.04Å
96D97.7Very high97.3Very high79 Ų7941.1 Ų41.142%0.42221%0.214SC..Hα-helixtrans-64.7-30.9-179.3-65.7-19.3000112.7K92 C94 P100K92-D96 WeakPolarHBondContact CE-OD1 3.19Å; K92-D96 WeakPolarHBondContact CE-OD2 3.45Å; K92-D96 IonicContact NZ-OD1 2.71Å; K92-D96 PolarHBondContact NZ-OD1 3.39Å; K92-D96 IonicContact NZ-OD2 2.68Å; K92-D96 PolarHBondContact O-N 3.01Å; C94-D96 VanDerWaalsContact C-N 3.34Å; C94-D96 PolarHBondContact O-N 3.45Å; D96-P100 WeakPolarHBondContact O-CD 3.34Å
97L98.1Very high97.5Very high11 Ų1142.3 Ų42.36%0.05822%0.219CC..Hα-helixtrans-74.4-47.9177176.962.2000112.2N75 K77 L93 C94 A95 M101 D295 V297N75-L97 HydrophobicContact CB-CD1 3.55Å; N75-L97 HydrophobicContact CB-CD2 4.33Å; K77-L97 HydrophobicContact CG-CB 4.29Å; K77-L97 HydrophobicContact CG-CD2 4.14Å; L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.49Å; L93-L97 PolarHBondContact O-N 3.34Å; C94-L97 PolarHBondContact O-N 2.78Å; A95-L97 VanDerWaalsContact C-N 3.26Å; A95-L97 PolarHBondContact O-N 3.43Å; L97-M101 HydrophobicContact CD1-CE 3.66Å; L97-M101 HydrophobicContact CG-CE 4.01Å; L97-D295 HydrophobicContact CD2-CB 4.09Å; L97-V297 HydrophobicContact CD2-CG2 3.71Å
98I97.5Very high97.7Very high0 Ų039.1 Ų39.10%021%0.206CC..Hα-helixtrans-87.8-32.1-166.763123.1000113.4C94 A95 M101 L102 Y119 I202 V272C94-I98 WeakPolarHBondContact O-CG1 3.32Å; C94-I98 PolarHBondContact O-N 2.87Å; A95-I98 PolarHBondContact O-N 2.85Å; I98-M101 WeakPolarHBondContact O-CA 3.22Å; I98-M101 VanDerWaalsContact O-CB 3.26Å; I98-M101 WeakPolarHBondContact O-CB 3.25Å; I98-M101 PolarHBondContact O-N 3.17Å; I98-L102 HydrophobicContact CD1-CD1 3.99Å; I98-L102 HydrophobicContact CD1-CD2 4.37Å; I98-L102 HydrophobicContact CD1-CG 4.31Å; I98-L102 WeakPolarHBondContact O-CG 3.3Å; I98-L102 PolarHBondContact O-N 3.29Å; I98-Y119 HydrophobicContact CD1-CE1 4.45Å; I98-Y119 HydrophobicContact CD1-CE2 3.51Å; I98-Y119 VanDerWaalsContact CD1-CZ 3.41Å; I98-Y119 WeakPolarHBondContact CD1-OH 3.4Å; I98-Y119 HydrophobicContact CG1-CE2 3.97Å; I98-I202 HydrophobicContact CB-CD1 4.32Å; I98-I202 HydrophobicContact CD1-CD1 3.47Å; I98-I202 VanDerWaalsContact CD1-CD1 3.47Å; I98-I202 HydrophobicContact CG1-CD1 4.09Å; I98-I202 HydrophobicContact CG2-CD1 4.09Å; I98-V272 HydrophobicContact CG2-CG1 4.27Å; I98-V272 HydrophobicContact CG2-CG2 4.03Å
99E98.2Very high97.8Very high15 Ų1538.4 Ų38.47%0.0720%0.199CC..THydrogen-bonded Turntrans-57.8-38.9-174.9-77.3177.7-177.600114.3A95 M101 L102 A123 N124 L126 Y160A95-E99 WeakPolarHBondContact O-CB 3.47Å; A95-E99 VanDerWaalsContact O-CG 3.23Å; A95-E99 WeakPolarHBondContact O-CG 3.38Å; A95-E99 PolarHBondContact O-N 3.42Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 2.97Å; E99-L102 PolarHBondContact O-N 3.18Å; E99-A123 WeakPolarHBondContact OE1-CA 3.29Å; E99-N124 PolarHBondContact OE1-N 2.93Å; E99-N124 PolarHBondContact OE2-ND2 2.86Å; E99-L126 HydrophobicContact CB-CD1 4.01Å; E99-L126 HydrophobicContact CG-CD1 3.76Å; E99-Y160 HydrophobicContact CG-CE1 4.1Å; E99-Y160 WeakPolarHBondContact CG-OH 3.21Å; E99-Y160 WeakPolarHBondContact OE1-CE1 3.19Å; E99-Y160 PolarHBondContact OE1-OH 2.7Å
100P97.2Very high97.9Very high81 Ų8137.6 Ų37.653%0.52619%0.193SC..THydrogen-bonded Turntrans-60.5-37.2170.3-25.336000113.4D96 L102D96-P100 WeakPolarHBondContact O-CD 3.34Å; P100-L102 VanDerWaalsContact C-N 3.34Å
101M97.1Very high97.9Very high33 Ų3337.6 Ų37.616%0.16319%0.193CC..G310 helixtrans-70.5-29.8-179.7-52.5175.5177.200112.1N75 L97 I98 E99 K103 S104 L200N75-M101 WeakPolarHBondContact ND2-CE 3.49Å; L97-M101 HydrophobicContact CD1-CE 3.66Å; L97-M101 HydrophobicContact CG-CE 4.01Å; I98-M101 WeakPolarHBondContact O-CA 3.22Å; I98-M101 VanDerWaalsContact O-CB 3.26Å; I98-M101 WeakPolarHBondContact O-CB 3.25Å; I98-M101 PolarHBondContact O-N 3.17Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 2.97Å; M101-K103 PolarHBondContact O-N 3.47Å; M101-K103 VanDerWaalsContact O-N 3.11Å; M101-S104 PolarHBondContact O-N 2.98Å; M101-S104 VanDerWaalsContact O-N 3.11Å; M101-S104 PolarHBondContact O-OG 2.91Å; M101-L200 HydrophobicContact CB-CD1 4.22Å; M101-L200 HydrophobicContact SD-CD1 4.3Å
102L98.3Very high97.7Very high0 Ų038.8 Ų38.80%020%0.197CC..G310 helixtrans-62.1-20.6179.8-59.9-175000113.6I98 E99 P100 S104 I105 L108 L128 H130 L131 Y160I98-L102 HydrophobicContact CD1-CD1 3.99Å; I98-L102 HydrophobicContact CD1-CD2 4.37Å; I98-L102 HydrophobicContact CD1-CG 4.31Å; I98-L102 WeakPolarHBondContact O-CG 3.3Å; I98-L102 PolarHBondContact O-N 3.29Å; E99-L102 PolarHBondContact O-N 3.18Å; P100-L102 VanDerWaalsContact C-N 3.34Å; L102-S104 VanDerWaalsContact C-N 3.25Å; L102-S104 PolarHBondContact O-N 3.35Å; L102-I105 HydrophobicContact CD2-CD1 3.83Å; L102-I105 HydrophobicContact CD2-CG1 4.43Å; L102-L108 HydrophobicContact CD1-CD2 4.4Å; L102-L108 HydrophobicContact CD2-CD1 4.17Å; L102-L108 HydrophobicContact CD2-CD2 4.01Å; L102-L128 HydrophobicContact CB-CD1 3.77Å; L102-L128 HydrophobicContact CD1-CD1 3.84Å; L102-L128 HydrophobicContact CG-CD1 4.48Å; L102-H130 PolarHBondContact O-NE2 3Å; L102-L131 HydrophobicContact CD1-CD2 4.2Å; L102-L131 HydrophobicContact CD2-CD2 4.44Å; L102-Y160 HydrophobicContact CD1-CD2 3.8Å; L102-Y160 HydrophobicContact CD1-CE2 3.29Å
103K95.5Very high97.4Very high159 Ų15936.1 Ų36.169%0.69119%0.189SC*.G310 helixtrans-70.5-20.9177.8-62.3-178.5-177.8176.80113.3M101M101-K103 PolarHBondContact O-N 3.47Å; M101-K103 VanDerWaalsContact O-N 3.11Å
104S96.1Very high97.1Very high93 Ų9335 Ų3565%0.6519%0.185SC*.G310 helixtrans-107.96.2-175.152.10000114.1M101 L102M101-S104 PolarHBondContact O-N 2.98Å; M101-S104 VanDerWaalsContact O-N 3.11Å; M101-S104 PolarHBondContact O-OG 2.91Å; L102-S104 VanDerWaalsContact C-N 3.25Å; L102-S104 PolarHBondContact O-N 3.35Å
105I98.3Very high96.9Very high12 Ų1235.3 Ų35.36%0.06219%0.187CC..  trans-130.1168.3-178.769.2170.4000111.1L102 H130 L131 D199 L200L102-I105 HydrophobicContact CD2-CD1 3.83Å; L102-I105 HydrophobicContact CD2-CG1 4.43Å; I105-H130 PolarHBondContact O-CD2 3.19Å; I105-H130 PolarHBondContact O-NE2 2.94Å; I105-L131 HydrophobicContact CD1-CD1 4.27Å; I105-L131 HydrophobicContact CG1-CD1 3.95Å; I105-D199 HydrophobicContact CB-CB 3.72Å; I105-D199 HydrophobicContact CD1-CB 4.34Å; I105-D199 HydrophobicContact CG2-CB 3.86Å; I105-L200 HydrophobicContact CD1-CB 3.51Å; I105-L200 HydrophobicContact CD1-CD1 4.15Å; I105-L200 HydrophobicContact CD1-CG 4.46Å
106H98.6Very high96.8Very high115 Ų11535.4 Ų35.453%0.53219%0.187SC..SBendtrans-118.8-20.2-179.5-66.8-73.1000113.6H130 L131 K132 D199H106-H130 AromaticContact ND1-CD2 3.82Å; H106-H130 PolarHBondContact ND1-O 2.94Å; H106-L131 CarbonylContact O-C 3.52Å; H106-L131 WeakPolarHBondContact O-CA 3.27Å; H106-K132 PolarHBondContact O-N 3.23Å; H106-D199 PolarHBondContact N-OD2 3.07Å
107K98.8Very high96.7Very high81 Ų8133.5 Ų33.535%0.35217%0.174SC..EExtended strand (participates in β ladder)trans-132.2117.9-174.5-61.5173.2-173.7172.60111.4K132 K197 V198 D199 L200K107-K132 WeakPolarHBondContact CA-O 3.49Å; K107-K197 VanDerWaalsContact CD-O 3.29Å; K107-K197 WeakPolarHBondContact CD-O 3.37Å; K107-V198 HydrophobicContact CB-CB 4.24Å; K107-V198 HydrophobicContact CB-CG1 4.37Å; K107-D199 PolarHBondContact N-OD2 3.27Å; K107-D199 PolarHBondContact O-N 3.08Å; K107-L200 PolarHBondContact O-N 3.37Å
108L98.9Very high96.7Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-109.4119.9177.7173.361.5000110.1L102 L131 K132 I133 T134 L156 L200 I202L102-L108 HydrophobicContact CD1-CD2 4.4Å; L102-L108 HydrophobicContact CD2-CD1 4.17Å; L102-L108 HydrophobicContact CD2-CD2 4.01Å; L108-L131 HydrophobicContact CB-CD1 4.07Å; L108-L131 HydrophobicContact CB-CD2 4.23Å; L108-L131 HydrophobicContact CB-CG 4.31Å; L108-L131 HydrophobicContact CD2-CD2 4.23Å; L108-K132 PolarHBondContact N-O 3.34Å; L108-I133 HydrophobicContact CB-CG1 4.4Å; L108-I133 HydrophobicContact CD2-CD1 4.41Å; L108-I133 HydrophobicContact CD2-CG1 4.25Å; L108-I133 CarbonylContact O-C 3.58Å; L108-I133 WeakPolarHBondContact O-CA 3.3Å; L108-T134 PolarHBondContact O-N 3.4Å; L108-L156 HydrophobicContact CD2-CD2 3.82Å; L108-L200 CarbonylContact C-O 3.6Å; L108-L200 WeakPolarHBondContact CA-O 3.41Å; L108-L200 HydrophobicContact CD1-CB 4.46Å; L108-L200 HydrophobicContact CD1-CD2 3.67Å; L108-I202 HydrophobicContact CD1-CD1 3.85Å; L108-I202 HydrophobicContact CD1-CG1 3.96Å
109G98.8Very high96.7Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-89.6135.3169.400000111.8T134 L200 A201 I202G109-T134 CarbonylContact C-O 3.51Å; G109-T134 VanDerWaalsContact CA-O 3.32Å; G109-T134 WeakPolarHBondContact CA-O 3.41Å; G109-L200 PolarHBondContact N-O 3.3Å; G109-A201 CarbonylContact O-C 3.52Å; G109-A201 WeakPolarHBondContact O-CA 3.3Å; G109-I202 PolarHBondContact O-N 3.32Å
110I98.7Very high96.7Very high0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-126132173.9-167.9167.3000112.2L116 Y119 V120 I133 T134 L136 L152 A153 L156I110-L116 HydrophobicContact CG1-CD1 4.18Å; I110-Y119 HydrophobicContact CD1-CD1 4.33Å; I110-Y119 HydrophobicContact CD1-CE1 4.01Å; I110-V120 HydrophobicContact CD1-CG2 3.78Å; I110-I133 HydrophobicContact CG2-CG2 4.06Å; I110-T134 PolarHBondContact N-O 3.47Å; I110-L136 PolarHBondContact O-N 2.91Å; I110-L152 HydrophobicContact CD1-CB 3.93Å; I110-A153 HydrophobicContact CG2-CB 3.79Å; I110-L156 HydrophobicContact CD1-CD2 4.07Å
111G96.7Very high96.8Very high1 Ų134.1 Ų34.11%0.0117%0.17CC..  trans-76.3-145.6172.400000112.8L116 S149 I202G111-L116 VanDerWaalsContact C-CD1 3.45Å; G111-S149 WeakPolarHBondContact O-CA 3.42Å; G111-S149 WeakPolarHBondContact O-CB 3.29Å; G111-I202 PolarHBondContact N-O 3.03Å
112W93.9Very high96.8Very high24 Ų2435.7 Ų35.79%0.09118%0.177CC..  trans-139.2171.6-179.273.4-66.7000111.4I137 I140 F147 T213 Y214 Y219W112-I137 HydrophobicContact CB-CG2 3.92Å; W112-I137 HydrophobicContact CG-CG2 3.88Å; W112-I140 HydrophobicContact CE3-CG2 3.71Å; W112-I140 HydrophobicContact CH2-CD1 3.56Å; W112-I140 HydrophobicContact CH2-CG2 4.42Å; W112-I140 HydrophobicContact CZ2-CD1 4.14Å; W112-I140 HydrophobicContact CZ3-CD1 3.88Å; W112-I140 HydrophobicContact CZ3-CG2 3.62Å; W112-F147 WeakPolarHBondContact CB-O 3.44Å; W112-T213 HydrophobicContact CH2-CG2 4.08Å; W112-T213 HydrophobicContact CZ3-CG2 3.92Å; W112-Y214 HydrophobicContact CH2-CE1 4.43Å; W112-Y214 HydrophobicContact CH2-CE2 4.35Å; W112-Y214 HydrophobicContact CZ2-CE1 4.49Å; W112-Y214 HydrophobicContact CZ2-CE2 4.17Å; W112-Y214 AromaticContact CZ2-CZ 3.85Å; W112-Y219 HydrophobicContact CH2-CE2 4.44Å; W112-Y219 HydrophobicContact CZ3-CE2 4.11Å
113G91.9Very high96.8Very high11 Ų1136 Ų3611%0.11318%0.18CC..SBendtrans109.3165.3170.300000114.7T115 L116 Y117 F147G113-T115 VanDerWaalsContact C-N 3.3Å; G113-T115 PolarHBondContact O-N 3.49Å; G113-L116 PolarHBondContact O-N 3.19Å; G113-L116 VanDerWaalsContact O-N 3.12Å; G113-Y117 PolarHBondContact O-N 3.35Å; G113-F147 PolarHBondContact N-O 3.31Å
114S91.9Very high96.9Very high21 Ų2131.7 Ų31.715%0.14716%0.164CC..Hα-helixtrans-62.3-28.3-169.563.50000115.2K87 Y117 E118K87-S114 PolarHBondContact NZ-OG 3Å; S114-Y117 WeakPolarHBondContact O-CB 3.45Å; S114-E118 PolarHBondContact O-N 2.82Å
115T93.6Very high97Very high6 Ų634.3 Ų34.34%0.03717%0.17CC..Hα-helixtrans-75.3-34.2177.6-48.50000111.6K87 A90 G113 Y117 E118 Y119 V274 T276K87-T115 HydrophobicContact CG-CG2 3.94Å; A90-T115 HydrophobicContact CB-CG2 4.43Å; G113-T115 VanDerWaalsContact C-N 3.3Å; G113-T115 PolarHBondContact O-N 3.49Å; T115-Y117 VanDerWaalsContact C-N 3.34Å; T115-E118 PolarHBondContact O-N 2.94Å; T115-Y119 PolarHBondContact O-N 3.44Å; T115-V274 HydrophobicContact CG2-CB 4.32Å; T115-V274 HydrophobicContact CG2-CG1 3.48Å; T115-V274 VanDerWaalsContact CG2-CG1 3.48Å; T115-T276 HydrophobicContact CG2-CG2 4.4Å
116L96.6Very high97Very high1 Ų136.4 Ų36.41%0.00518%0.181CC..Hα-helixtrans-72.1-31.2173.2-62.6-170.6000111.9I110 G111 G113 Y119 V120 L152 I202 V274I110-L116 HydrophobicContact CG1-CD1 4.18Å; G111-L116 VanDerWaalsContact C-CD1 3.45Å; G113-L116 PolarHBondContact O-N 3.19Å; G113-L116 VanDerWaalsContact O-N 3.12Å; L116-Y119 WeakPolarHBondContact O-CB 3.29Å; L116-Y119 PolarHBondContact O-N 3.05Å; L116-V120 WeakPolarHBondContact O-CG2 3.45Å; L116-V120 PolarHBondContact O-N 2.53Å; L116-L152 HydrophobicContact CB-CD1 3.83Å; L116-I202 HydrophobicContact CD2-CG2 3.71Å; L116-V274 HydrophobicContact CD2-CB 4.08Å; L116-V274 HydrophobicContact CD2-CG2 3.96Å
117Y96.3Very high97Very high39 Ų3936 Ų3615%0.15318%0.183CC..Hα-helixtrans-56.6-48.9167.6169.4-98.3000111.6G113 S114 T115 Y119 V120 E121 R146 F147 L152G113-Y117 PolarHBondContact O-N 3.35Å; S114-Y117 WeakPolarHBondContact O-CB 3.45Å; T115-Y117 VanDerWaalsContact C-N 3.34Å; Y117-Y119 VanDerWaalsContact C-N 3.27Å; Y117-Y119 PolarHBondContact O-N 3.4Å; Y117-V120 PolarHBondContact O-N 3.23Å; Y117-V120 VanDerWaalsContact O-N 3.09Å; Y117-E121 HydrophobicContact CD1-CG 4.1Å; Y117-E121 HydrophobicContact CD2-CG 4.06Å; Y117-E121 HydrophobicContact CE1-CG 3.65Å; Y117-E121 HydrophobicContact CE2-CG 3.56Å; Y117-E121 HydrophobicContact CG-CG 4.3Å; Y117-E121 VanDerWaalsContact CZ-CD 3.48Å; Y117-E121 WeakPolarHBondContact O-CG 3.21Å; Y117-E121 PolarHBondContact O-N 3.29Å; Y117-E121 VanDerWaalsContact OH-CD 3.29Å; Y117-E121 PolarHBondContact OH-OE2 3.13Å; Y117-R146 HydrophobicContact CD2-CB 4.2Å; Y117-R146 HydrophobicContact CD2-CG 4.5Å; Y117-R146 HydrophobicContact CE2-CB 4.14Å; Y117-R146 HydrophobicContact CE2-CG 4.49Å; Y117-F147 HydrophobicContact CD1-CD1 4.39Å; Y117-F147 AromaticContact CD1-CE1 3.84Å; Y117-F147 HydrophobicContact CD1-CE1 3.84Å; Y117-F147 HydrophobicContact CD2-CD1 4.36Å; Y117-F147 HydrophobicContact CD2-CE1 4.44Å; Y117-F147 AromaticContact CG-CD1 3.86Å; Y117-F147 HydrophobicContact CG-CD1 3.86Å; Y117-F147 AromaticContact CG-CE1 3.79Å; Y117-F147 HydrophobicContact CG-CE1 3.79Å; Y117-L152 HydrophobicContact CD2-CD2 4.22Å
118E97.4Very high96.9Very high35 Ų3532.7 Ų32.716%0.16417%0.169CC..Hα-helixtrans-59.7-37.3176.2-66.7-57.5151.700112.6K87 S114 T115 E121 H122K87-E118 HydrophobicContact CB-CG 4.19Å; K87-E118 HydrophobicContact CD-CG 3.89Å; K87-E118 HydrophobicContact CG-CB 4.46Å; K87-E118 HydrophobicContact CG-CG 3.72Å; K87-E118 WeakPolarHBondContact O-CB 3.34Å; S114-E118 PolarHBondContact O-N 2.82Å; T115-E118 PolarHBondContact O-N 2.94Å; E118-E121 PolarHBondContact O-N 3.11Å; E118-H122 WeakPolarHBondContact O-CB 3.44Å; E118-H122 PolarHBondContact O-N 3.16Å; E118-H122 VanDerWaalsContact O-N 3.11Å; E118-H122 PolarHBondContact O-ND1 3.19Å; E118-H122 IonicContact OE2-CE1 3.1Å; E118-H122 IonicContact OE2-ND1 2.74Å
119Y98.2Very high96.9Very high0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-59.4-52.5171.8152.1-117.7000111.4G91 C94 A95 I98 I110 T115 L116 Y117 E121 H122 A123 L156 Y160 I202G91-Y119 WeakPolarHBondContact O-CA 3.46Å; C94-Y119 HydrophobicContact CB-CD2 4.12Å; C94-Y119 HydrophobicContact CB-CG 4.3Å; A95-Y119 HydrophobicContact CB-CD2 3.92Å; A95-Y119 HydrophobicContact CB-CE2 4.04Å; I98-Y119 HydrophobicContact CD1-CE1 4.45Å; I98-Y119 HydrophobicContact CD1-CE2 3.51Å; I98-Y119 VanDerWaalsContact CD1-CZ 3.41Å; I98-Y119 WeakPolarHBondContact CD1-OH 3.4Å; I98-Y119 HydrophobicContact CG1-CE2 3.97Å; I110-Y119 HydrophobicContact CD1-CD1 4.33Å; I110-Y119 HydrophobicContact CD1-CE1 4.01Å; T115-Y119 PolarHBondContact O-N 3.44Å; L116-Y119 WeakPolarHBondContact O-CB 3.29Å; L116-Y119 PolarHBondContact O-N 3.05Å; Y117-Y119 VanDerWaalsContact C-N 3.27Å; Y117-Y119 PolarHBondContact O-N 3.4Å; Y119-E121 VanDerWaalsContact C-N 3.28Å; Y119-E121 PolarHBondContact O-N 3.23Å; Y119-H122 CarbonylContact O-C 3.59Å; Y119-H122 PolarHBondContact O-N 3.22Å; Y119-H122 VanDerWaalsContact O-N 3.09Å; Y119-A123 HydrophobicContact CE2-CB 4.39Å; Y119-A123 PolarHBondContact O-N 3.14Å; Y119-L156 HydrophobicContact CE1-CD1 4.34Å; Y119-L156 HydrophobicContact CE1-CD2 3.84Å; Y119-L156 WeakPolarHBondContact OH-CD1 3.4Å; Y119-L156 WeakPolarHBondContact OH-CD2 3.3Å; Y119-Y160 WeakPolarHBondContact OH-CE2 3.31Å; Y119-Y160 PolarHBondContact OH-OH 2.87Å; Y119-Y160 VanDerWaalsContact OH-OH 3.09Å; Y119-I202 HydrophobicContact CE1-CD1 3.9Å
120V98.4Very high96.8Very high1 Ų141.1 Ų41.11%0.00621%0.211CC..Hα-helixtrans-61.3-37.7-179.7172.80000111.2I110 L116 Y117 H122 A123 L152 V155 L156 K159I110-V120 HydrophobicContact CD1-CG2 3.78Å; L116-V120 WeakPolarHBondContact O-CG2 3.45Å; L116-V120 PolarHBondContact O-N 2.53Å; Y117-V120 PolarHBondContact O-N 3.23Å; Y117-V120 VanDerWaalsContact O-N 3.09Å; V120-H122 VanDerWaalsContact C-N 3.31Å; V120-H122 PolarHBondContact O-N 2.93Å; V120-A123 WeakPolarHBondContact O-CB 3.33Å; V120-A123 PolarHBondContact O-N 3.42Å; V120-L152 HydrophobicContact CB-CD2 4.2Å; V120-L152 HydrophobicContact CG2-CB 4.11Å; V120-L152 HydrophobicContact CG2-CD2 4.05Å; V120-V155 HydrophobicContact CG1-CB 3.72Å; V120-V155 HydrophobicContact CG1-CG1 3.47Å; V120-V155 VanDerWaalsContact CG1-CG1 3.47Å; V120-L156 HydrophobicContact CG1-CB 4.37Å; V120-L156 HydrophobicContact CG2-CB 4.32Å; V120-L156 HydrophobicContact CG2-CD1 4.35Å; V120-K159 WeakPolarHBondContact O-CD 3.29Å; V120-K159 WeakPolarHBondContact O-CE 3.46Å; V120-K159 PolarHBondContact O-NZ 3.4Å
121E97.8Very high96.8Very high85 Ų8541.2 Ų41.240%0.39721%0.212SC..Hα-helixtrans-65.2-32.9176.3-69.9-67.584.500112.8Y117 E118 Y119 K159Y117-E121 HydrophobicContact CD1-CG 4.1Å; Y117-E121 HydrophobicContact CD2-CG 4.06Å; Y117-E121 HydrophobicContact CE1-CG 3.65Å; Y117-E121 HydrophobicContact CE2-CG 3.56Å; Y117-E121 HydrophobicContact CG-CG 4.3Å; Y117-E121 VanDerWaalsContact CZ-CD 3.48Å; Y117-E121 WeakPolarHBondContact O-CG 3.21Å; Y117-E121 PolarHBondContact O-N 3.29Å; Y117-E121 VanDerWaalsContact OH-CD 3.29Å; Y117-E121 PolarHBondContact OH-OE2 3.13Å; E118-E121 PolarHBondContact O-N 3.11Å; Y119-E121 VanDerWaalsContact C-N 3.28Å; Y119-E121 PolarHBondContact O-N 3.23Å; E121-K159 PolarHBondContact O-NZ 2.8Å
122H97.8Very high96.9Very high66 Ų6643.9 Ų43.931%0.30622%0.223SC..Hα-helixtrans-94.7-4.2179.9-69.782.4000114.5K92 E118 Y119 V120K92-H122 HydrophobicContact CB-CB 4.09Å; K92-H122 HydrophobicContact CD-CB 3.97Å; E118-H122 WeakPolarHBondContact O-CB 3.44Å; E118-H122 PolarHBondContact O-N 3.16Å; E118-H122 VanDerWaalsContact O-N 3.11Å; E118-H122 PolarHBondContact O-ND1 3.19Å; E118-H122 IonicContact OE2-CE1 3.1Å; E118-H122 IonicContact OE2-ND1 2.74Å; Y119-H122 CarbonylContact O-C 3.59Å; Y119-H122 PolarHBondContact O-N 3.22Å; Y119-H122 VanDerWaalsContact O-N 3.09Å; V120-H122 VanDerWaalsContact C-N 3.31Å; V120-H122 PolarHBondContact O-N 2.93Å
123A98.4Very high97.2Very high7 Ų742.7 Ų42.76%0.05822%0.219CC..  trans-60138.2173.300000110.9E99 Y119 V120 L156 K159 Y160E99-A123 WeakPolarHBondContact OE1-CA 3.29Å; Y119-A123 HydrophobicContact CE2-CB 4.39Å; Y119-A123 PolarHBondContact O-N 3.14Å; V120-A123 WeakPolarHBondContact O-CB 3.33Å; V120-A123 PolarHBondContact O-N 3.42Å; A123-L156 HydrophobicContact CB-CD1 3.63Å; A123-K159 HydrophobicContact CB-CD 3.92Å; A123-K159 PolarHBondContact O-NZ 2.75Å; A123-Y160 HydrophobicContact CB-CE1 3.87Å
124N98Very high97.5Very high68 Ų6842.2 Ų42.236%0.36421%0.213SC..  trans-78.5159.9179.2-67.3-58.3000111.5E99 L126 Y160E99-N124 PolarHBondContact OE1-N 2.93Å; E99-N124 PolarHBondContact OE2-ND2 2.86Å; N124-L126 HydrophobicContact CB-CD2 4.29Å; N124-L126 HydrophobicContact CB-CG 4.31Å; N124-L126 PolarHBondContact O-N 3.43Å; N124-Y160 WeakPolarHBondContact O-CD1 3.39Å; N124-Y160 WeakPolarHBondContact O-CE1 3.45Å
125L98.3Very high97.8Very high148 Ų14841.2 Ų41.278%0.77521%0.206SC*.  trans-74.1114.2166.7-63.2179.8000109.3K159L125-K159 CarbonylContact C-O 3.46Å; L125-K159 VanDerWaalsContact CA-O 3.24Å; L125-K159 WeakPolarHBondContact CA-O 3.48Å; L125-K159 HydrophobicContact CD2-CB 4.2Å; L125-K159 HydrophobicContact CD2-CG 4.08Å
126L97.9Very high98Very high55 Ų5540.9 Ų40.929%0.28820%0.204SC..  trans-126.7167.4-179.7-59.1179.6000110E99 N124 L128 K159 Y160E99-L126 HydrophobicContact CB-CD1 4.01Å; E99-L126 HydrophobicContact CG-CD1 3.76Å; N124-L126 HydrophobicContact CB-CD2 4.29Å; N124-L126 HydrophobicContact CB-CG 4.31Å; N124-L126 PolarHBondContact O-N 3.43Å; L126-L128 HydrophobicContact CB-CD1 4.28Å; L126-L128 HydrophobicContact CB-CG 4.08Å; L126-L128 HydrophobicContact CD1-CD1 4.07Å; L126-K159 PolarHBondContact N-O 3.15Å; L126-Y160 CarbonylContact C-O 3.52Å; L126-Y160 HydrophobicContact CB-CD1 3.92Å; L126-Y160 HydrophobicContact CD1-CD1 3.9Å; L126-Y160 HydrophobicContact CD1-CE1 3.75Å; L126-Y160 HydrophobicContact CG-CD1 4.03Å; L126-Y160 HydrophobicContact CG-CE1 4.17Å; L126-Y160 CarbonylContact O-C 3.53Å; L126-Y160 WeakPolarHBondContact O-CA 3.35Å
127N98Very high98Very high108 Ų10840.9 Ų40.958%0.57820%0.204SC*.  trans-120.394.6173.3-169.64000109.5N129 N161N127-N129 VanDerWaalsContact OD1-CG 3.26Å; N127-N129 PolarHBondContact OD1-ND2 3.24Å; N127-N129 PolarHBondContact OD1-OD1 3.22Å; N127-N161 PolarHBondContact OD1-ND2 2.77Å
128L98.3Very high97.8Very high11 Ų1139.1 Ų39.16%0.05820%0.198CC..  trans-123.452.9-174.6-57.6177.2000109.8L102 L126 H130 L131 Y160 N161 S162L102-L128 HydrophobicContact CB-CD1 3.77Å; L102-L128 HydrophobicContact CD1-CD1 3.84Å; L102-L128 HydrophobicContact CG-CD1 4.48Å; L126-L128 HydrophobicContact CB-CD1 4.28Å; L126-L128 HydrophobicContact CB-CG 4.08Å; L126-L128 HydrophobicContact CD1-CD1 4.07Å; L128-H130 PolarHBondContact O-N 3.39Å; L128-L131 HydrophobicContact CB-CB 4Å; L128-L131 HydrophobicContact CB-CD2 4.44Å; L128-L131 HydrophobicContact CD1-CD2 4.13Å; L128-L131 VanDerWaalsContact O-CB 3.25Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.05Å; L128-Y160 HydrophobicContact CD1-CD2 4.2Å; L128-Y160 HydrophobicContact CD1-CG 4.04Å; L128-Y160 PolarHBondContact N-O 3.41Å; L128-N161 CarbonylContact C-O 3.54Å; L128-S162 WeakPolarHBondContact O-CB 3.33Å
129N97.6Very high97.2Very high98 Ų9838.2 Ų38.252%0.52420%0.198SC..THydrogen-bonded Turntrans-56.2-20.5-179.6-65.8-45000114.2N127 L131 N161N127-N129 VanDerWaalsContact OD1-CG 3.26Å; N127-N129 PolarHBondContact OD1-ND2 3.24Å; N127-N129 PolarHBondContact OD1-OD1 3.22Å; N129-L131 VanDerWaalsContact C-N 3.3Å; N129-N161 WeakPolarHBondContact CA-O 3.39Å; N129-N161 PolarHBondContact N-O 2.94Å; N129-N161 PolarHBondContact OD1-ND2 3.11Å; N129-N161 PolarHBondContact OD1-O 3.22Å
130H98.1Very high96.2Very high79 Ų7938.4 Ų38.437%0.36620%0.199SC..THydrogen-bonded Turntrans-82.1-8.4177.467-83.4000113.6L102 I105 H106 L128L102-H130 PolarHBondContact O-NE2 3Å; I105-H130 PolarHBondContact O-CD2 3.19Å; I105-H130 PolarHBondContact O-NE2 2.94Å; H106-H130 AromaticContact ND1-CD2 3.82Å; H106-H130 PolarHBondContact ND1-O 2.94Å; L128-H130 PolarHBondContact O-N 3.39Å
131L98.8Very high95.2Very high1 Ų140.8 Ų40.81%0.00522%0.223CC..  trans-94.1139.9-177.7-170.374.8000110L102 I105 H106 L108 L128 N129 I133 Y160 S162 E163L102-L131 HydrophobicContact CD1-CD2 4.2Å; L102-L131 HydrophobicContact CD2-CD2 4.44Å; I105-L131 HydrophobicContact CD1-CD1 4.27Å; I105-L131 HydrophobicContact CG1-CD1 3.95Å; H106-L131 CarbonylContact O-C 3.52Å; H106-L131 WeakPolarHBondContact O-CA 3.27Å; L108-L131 HydrophobicContact CB-CD1 4.07Å; L108-L131 HydrophobicContact CB-CD2 4.23Å; L108-L131 HydrophobicContact CB-CG 4.31Å; L108-L131 HydrophobicContact CD2-CD2 4.23Å; L128-L131 HydrophobicContact CB-CB 4Å; L128-L131 HydrophobicContact CB-CD2 4.44Å; L128-L131 HydrophobicContact CD1-CD2 4.13Å; L128-L131 VanDerWaalsContact O-CB 3.25Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.05Å; N129-L131 VanDerWaalsContact C-N 3.3Å; L131-I133 HydrophobicContact CD2-CG1 4.17Å; L131-I133 HydrophobicContact CG-CG1 4.49Å; L131-Y160 HydrophobicContact CD2-CD2 4.35Å; L131-S162 WeakPolarHBondContact O-CB 3.12Å; L131-E163 PolarHBondContact O-N 3.3Å
132K98.8Very high94.1Very high57 Ų5744.8 Ų44.825%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-117.8129.2168-171.6174.7-169.7-1650110H106 K107 L108 E163 S165 E194H106-K132 PolarHBondContact O-N 3.23Å; K107-K132 WeakPolarHBondContact CA-O 3.49Å; L108-K132 PolarHBondContact N-O 3.34Å; K132-E163 WeakPolarHBondContact CA-O 3.38Å; K132-E163 HydrophobicContact CB-CB 4.12Å; K132-E163 HydrophobicContact CG-CB 3.91Å; K132-S165 WeakPolarHBondContact CE-OG 3.45Å; K132-S165 PolarHBondContact NZ-OG 3.3Å; K132-S165 VanDerWaalsContact NZ-OG 3.11Å; K132-E194 IonicContact NZ-OE1 2.7Å; K132-E194 IonicContact NZ-OE2 2.72Å; K132-E194 PolarHBondContact NZ-OE2 2.92Å
133I98.9Very high93.1Very high0 Ų043.9 Ų43.90%025%0.248CC..EExtended strand (participates in β ladder)trans-101.8126.2-178.9-53.6179.8000109.9L108 I110 L131 A153 L156 Y160 S162 E163 V164 S165L108-I133 HydrophobicContact CB-CG1 4.4Å; L108-I133 HydrophobicContact CD2-CD1 4.41Å; L108-I133 HydrophobicContact CD2-CG1 4.25Å; L108-I133 CarbonylContact O-C 3.58Å; L108-I133 WeakPolarHBondContact O-CA 3.3Å; I110-I133 HydrophobicContact CG2-CG2 4.06Å; L131-I133 HydrophobicContact CD2-CG1 4.17Å; L131-I133 HydrophobicContact CG-CG1 4.49Å; I133-A153 HydrophobicContact CG2-CB 3.89Å; I133-L156 HydrophobicContact CD1-CB 3.94Å; I133-L156 HydrophobicContact CD1-CD2 3.9Å; I133-L156 HydrophobicContact CD1-CG 3.72Å; I133-L156 HydrophobicContact CG2-CD2 4.41Å; I133-Y160 HydrophobicContact CD1-CD2 4.19Å; I133-S162 VanDerWaalsContact CD1-OG 3.25Å; I133-S162 WeakPolarHBondContact CD1-OG 3.41Å; I133-S162 WeakPolarHBondContact CG1-OG 3.45Å; I133-E163 PolarHBondContact N-O 2.66Å; I133-V164 WeakPolarHBondContact O-CA 3.37Å; I133-S165 PolarHBondContact O-N 3.24Å
134T98.8Very high92.4Very high0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-121.2119.2-172.4-55.30000110.6L108 G109 I110 L136 I191 E194L108-T134 PolarHBondContact O-N 3.4Å; G109-T134 CarbonylContact C-O 3.51Å; G109-T134 VanDerWaalsContact CA-O 3.32Å; G109-T134 WeakPolarHBondContact CA-O 3.41Å; I110-T134 PolarHBondContact N-O 3.47Å; T134-L136 PolarHBondContact O-N 2.99Å; T134-I191 HydrophobicContact CG2-CD1 3.71Å; T134-E194 HydrophobicContact CG2-CB 4.26Å; T134-E194 HydrophobicContact CG2-CG 3.93Å; T134-E194 WeakPolarHBondContact CG2-OE1 3.28Å; T134-E194 PolarHBondContact OG1-OE1 2.73Å
135P98.4Very high91.9Very high0 Ų047.5 Ų47.50%027%0.266CS..EExtended strand (participates in β ladder)trans-66.7130.7170.426.3-33.3000110.8N150 A153 S165 F167 I191P135-N150 WeakPolarHBondContact CB-OD1 3.34Å; P135-N150 WeakPolarHBondContact CG-OD1 3.15Å; P135-A153 HydrophobicContact CB-CB 4.44Å; P135-S165 WeakPolarHBondContact CD-O 3.33Å; P135-S165 WeakPolarHBondContact CG-O 3.4Å; P135-F167 HydrophobicContact CB-CB 4.27Å; P135-F167 HydrophobicContact CG-CB 3.93Å; P135-I191 HydrophobicContact CG-CD1 4.49Å
136L98.3Very high91.6Very high0 Ų045.4 Ų45.40%025%0.248CC..SBendtrans-93-1.9-174.8-60.1176000114I110 T134 V198 A201 L203 G259 I260I110-L136 PolarHBondContact O-N 2.91Å; T134-L136 PolarHBondContact O-N 2.99Å; L136-V198 HydrophobicContact CD2-CG1 4.48Å; L136-A201 HydrophobicContact CD1-CB 3.8Å; L136-L203 HydrophobicContact CD1-CD1 4.42Å; L136-L203 HydrophobicContact CD1-CD2 3.79Å; L136-L203 HydrophobicContact CD1-CG 4.1Å; L136-G259 CarbonylContact O-C 3.57Å; L136-G259 VanDerWaalsContact O-CA 3.28Å; L136-G259 WeakPolarHBondContact O-CA 3.06Å; L136-I260 HydrophobicContact CB-CB 4.45Å; L136-I260 HydrophobicContact CB-CG1 4.04Å; L136-I260 HydrophobicContact CD2-CG1 3.78Å; L136-I260 HydrophobicContact CG-CG1 4.49Å; L136-I260 PolarHBondContact O-N 2.77Å
137I95.9Very high91.3Very high1 Ų144.1 Ų44.11%0.00524%0.24CC..BIsolated β-bridgetrans-148.6155.2-179.9-166.6177.2000109.4W112 S149 A171 G238 L258W112-I137 HydrophobicContact CB-CG2 3.92Å; W112-I137 HydrophobicContact CG-CG2 3.88Å; I137-S149 WeakPolarHBondContact O-CB 3.4Å; I137-S149 PolarHBondContact O-OG 3.05Å; I137-A171 HydrophobicContact CD1-CB 4.11Å; I137-A171 HydrophobicContact CG1-CB 4.1Å; I137-G238 WeakPolarHBondContact CD1-O 3.47Å; I137-L258 VanDerWaalsContact CG1-O 3.26Å; I137-L258 WeakPolarHBondContact CG1-O 3.46Å
138G91.7Very high91.1Very high2 Ų239.8 Ų39.82%0.02122%0.217CC..  trans-63.1174.4170.900000114A169 A171 L258G138-A169 CarbonylContact C-O 3.53Å; G138-A169 WeakPolarHBondContact CA-O 3.32Å; G138-A171 WeakPolarHBondContact O-CB 3.49Å; G138-L258 PolarHBondContact N-O 3.28Å; G138-L258 VanDerWaalsContact N-O 3.11Å
139G85.2Confident91Very high16 Ų1639.2 Ų39.217%0.16521%0.214CC..BIsolated β-bridgetrans-79.2142.6175.700000112.4A169 P170 A171G139-A169 PolarHBondContact N-O 2.75Å; G139-P170 CarbonylContact O-C 3.46Å; G139-P170 WeakPolarHBondContact O-CA 3.27Å; G139-A171 PolarHBondContact O-N 2.68Å
140I77.5Confident91Very high4 Ų436.1 Ų36.12%0.02120%0.197CC..  trans-108.496.2-171.5-167.4165.3000113.1W112 H148 A171 I172 Y214 Y219W112-I140 HydrophobicContact CE3-CG2 3.71Å; W112-I140 HydrophobicContact CH2-CD1 3.56Å; W112-I140 HydrophobicContact CH2-CG2 4.42Å; W112-I140 HydrophobicContact CZ2-CD1 4.14Å; W112-I140 HydrophobicContact CZ3-CD1 3.88Å; W112-I140 HydrophobicContact CZ3-CG2 3.62Å; I140-H148 VanDerWaalsContact CG2-CD2 3.47Å; I140-H148 WeakPolarHBondContact CG2-CD2 3.38Å; I140-H148 WeakPolarHBondContact CG2-NE2 3.3Å; I140-H148 PolarHBondContact N-CE1 2.97Å; I140-H148 PolarHBondContact O-CE1 2.75Å; I140-H148 PolarHBondContact O-NE2 3.18Å; I140-A171 HydrophobicContact CB-CB 3.77Å; I140-A171 HydrophobicContact CD1-CB 4.41Å; I140-A171 HydrophobicContact CG1-CB 4.15Å; I140-I172 HydrophobicContact CD1-CD1 4.09Å; I140-I172 HydrophobicContact CG1-CD1 4.39Å; I140-Y214 HydrophobicContact CD1-CD1 4.41Å; I140-Y214 HydrophobicContact CD1-CE1 3.95Å; I140-Y219 HydrophobicContact CB-CE2 4.13Å; I140-Y219 HydrophobicContact CD1-CD1 4.46Å; I140-Y219 HydrophobicContact CD1-CD2 3.17Å; I140-Y219 HydrophobicContact CD1-CE2 3.48Å; I140-Y219 VanDerWaalsContact CD1-CE2 3.48Å; I140-Y219 HydrophobicContact CD1-CG 3.72Å; I140-Y219 HydrophobicContact CG1-CD1 3.88Å; I140-Y219 HydrophobicContact CG1-CD2 3.46Å; I140-Y219 VanDerWaalsContact CG1-CD2 3.46Å; I140-Y219 HydrophobicContact CG1-CE1 3.94Å; I140-Y219 HydrophobicContact CG1-CE2 3.5Å; I140-Y219 VanDerWaalsContact CG1-CE2 3.5Å; I140-Y219 HydrophobicContact CG1-CG 3.64Å; I140-Y219 HydrophobicContact CG2-CD2 4.48Å; I140-Y219 HydrophobicContact CG2-CE1 4.48Å; I140-Y219 HydrophobicContact CG2-CE2 3.65Å; I140-Y219 WeakPolarHBondContact O-CE1 3.39Å; I140-Y219 PolarHBondContact O-OH 2.87Å; I140-Y219 VanDerWaalsContact O-OH 3.09Å
141G76.3Confident90.9Very high50 Ų5035.9 Ų35.952%0.51520%0.196SC..SBendtrans65.3-154.6178.900000113.8H148G141-H148 PolarHBondContact O-CE1 2.98Å
142L75.3Confident90.9Very high170 Ų17035.8 Ų35.889%0.8920%0.196SC*.SBendtrans-118.6-8.1-173.3-61177.2000114.1
143S77.9Confident90.9Very high47 Ų4733.1 Ų33.133%0.32918%0.184SC..SBendtrans-97.2149.7179.352.90000110.9V145 Y219S143-V145 PolarHBondContact O-N 2.79Å; S143-Y219 PolarHBondContact O-OH 2.86Å; S143-Y219 VanDerWaalsContact O-OH 3.11Å
144E83.1Confident90.9Very high73 Ų7336.9 Ų36.934%0.34120%0.2SC..  trans52.139.2175.4-66.3-66.8155.600114R146 F147 L217E144-R146 PolarHBondContact O-N 3.26Å; E144-R146 IonicContact OE1-NH2 2.6Å; E144-R146 PolarHBondContact OE1-NH2 3.46Å; E144-R146 IonicContact OE2-CZ 3.95Å; E144-R146 IonicContact OE2-NE 3.74Å; E144-R146 PolarHBondContact OE2-NE 2.91Å; E144-R146 IonicContact OE2-NH2 3.27Å; E144-R146 PolarHBondContact OE2-NH2 2.96Å; E144-F147 HydrophobicContact CB-CD2 3.73Å; E144-F147 HydrophobicContact CB-CE2 3.94Å; E144-F147 HydrophobicContact CG-CD2 4.39Å; E144-F147 HydrophobicContact CG-CE2 4.11Å; E144-F147 PolarHBondContact O-N 3.18Å; E144-F147 WeakPolarHBondContact OE2-CE2 3.42Å; E144-L217 HydrophobicContact CB-CD1 4.23Å; E144-L217 HydrophobicContact CB-CD2 4.01Å; E144-L217 HydrophobicContact CG-CD2 3.48Å; E144-L217 VanDerWaalsContact CG-CD2 3.48Å
145V87.7Confident90.9Very high77 Ų7738.3 Ų38.347%0.46721%0.209SC..G310 helixtrans-53.3-22.2-176.6-61.20000114.2S143 F147 H148 H151S143-V145 PolarHBondContact O-N 2.79Å; V145-F147 PolarHBondContact O-N 3.42Å; V145-H148 VanDerWaalsContact O-CB 3.32Å; V145-H148 WeakPolarHBondContact O-CB 3.04Å; V145-H148 PolarHBondContact O-N 2.93Å; V145-H151 WeakPolarHBondContact O-CB 3.49Å
146R91.7Very high90.9Very high104 Ų10438.3 Ų38.339%0.39221%0.209SC..G310 helixtrans-59-21.8172.860.7171.7170.4-154.8-6.5114.3Y117 E144 H151 L152Y117-R146 HydrophobicContact CD2-CB 4.2Å; Y117-R146 HydrophobicContact CD2-CG 4.5Å; Y117-R146 HydrophobicContact CE2-CB 4.14Å; Y117-R146 HydrophobicContact CE2-CG 4.49Å; E144-R146 PolarHBondContact O-N 3.26Å; E144-R146 IonicContact OE1-NH2 2.6Å; E144-R146 PolarHBondContact OE1-NH2 3.46Å; E144-R146 IonicContact OE2-CZ 3.95Å; E144-R146 IonicContact OE2-NE 3.74Å; E144-R146 PolarHBondContact OE2-NE 2.91Å; E144-R146 IonicContact OE2-NH2 3.27Å; E144-R146 PolarHBondContact OE2-NH2 2.96Å; R146-H151 VanDerWaalsContact CA-CD2 3.47Å; R146-H151 WeakPolarHBondContact CA-CD2 2.92Å; R146-H151 PolarHBondContact O-CD2 2.67Å; R146-L152 WeakPolarHBondContact O-CD2 3.45Å
147F91.8Very high90.9Very high28 Ų2838.5 Ų38.512%0.12321%0.21CC..G310 helixtrans-91.5-4.8177.9-58.1-27.3000113.2W112 G113 Y117 E144 V145W112-F147 WeakPolarHBondContact CB-O 3.44Å; G113-F147 PolarHBondContact N-O 3.31Å; Y117-F147 HydrophobicContact CD1-CD1 4.39Å; Y117-F147 AromaticContact CD1-CE1 3.84Å; Y117-F147 HydrophobicContact CD1-CE1 3.84Å; Y117-F147 HydrophobicContact CD2-CD1 4.36Å; Y117-F147 HydrophobicContact CD2-CE1 4.44Å; Y117-F147 AromaticContact CG-CD1 3.86Å; Y117-F147 HydrophobicContact CG-CD1 3.86Å; Y117-F147 AromaticContact CG-CE1 3.79Å; Y117-F147 HydrophobicContact CG-CE1 3.79Å; E144-F147 HydrophobicContact CB-CD2 3.73Å; E144-F147 HydrophobicContact CB-CE2 3.94Å; E144-F147 HydrophobicContact CG-CD2 4.39Å; E144-F147 HydrophobicContact CG-CE2 4.11Å; E144-F147 PolarHBondContact O-N 3.18Å; E144-F147 WeakPolarHBondContact OE2-CE2 3.42Å; V145-F147 PolarHBondContact O-N 3.42Å
148H94Very high91Very high17 Ų1744.6 Ų44.68%0.07924%0.239CC..SBendtrans-75.5141-176.9-64.2-173.6000110.5I140 G141 V145 N150 H151 L152I140-H148 VanDerWaalsContact CG2-CD2 3.47Å; I140-H148 WeakPolarHBondContact CG2-CD2 3.38Å; I140-H148 WeakPolarHBondContact CG2-NE2 3.3Å; I140-H148 PolarHBondContact N-CE1 2.97Å; I140-H148 PolarHBondContact O-CE1 2.75Å; I140-H148 PolarHBondContact O-NE2 3.18Å; G141-H148 PolarHBondContact O-CE1 2.98Å; V145-H148 VanDerWaalsContact O-CB 3.32Å; V145-H148 WeakPolarHBondContact O-CB 3.04Å; V145-H148 PolarHBondContact O-N 2.93Å; H148-N150 VanDerWaalsContact C-N 3.31Å; H148-N150 PolarHBondContact O-N 3.34Å; H148-H151 WeakPolarHBondContact O-CB 3.34Å; H148-H151 PolarHBondContact O-N 2.97Å; H148-L152 WeakPolarHBondContact O-CG 3.49Å; H148-L152 PolarHBondContact O-N 2.84Å
149S95.4Very high91.3Very high0 Ų046.3 Ų46.30%025%0.246CC..Hα-helixtrans-48.5-46.4177.652.50000113.7G111 I137 H151 L152 A153G111-S149 WeakPolarHBondContact O-CA 3.42Å; G111-S149 WeakPolarHBondContact O-CB 3.29Å; I137-S149 WeakPolarHBondContact O-CB 3.4Å; I137-S149 PolarHBondContact O-OG 3.05Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.31Å; S149-L152 PolarHBondContact O-N 3.4Å; S149-A153 WeakPolarHBondContact O-CB 3.44Å; S149-A153 PolarHBondContact O-N 3.32Å
150N97Very high92Very high32 Ų3245.6 Ų45.617%0.17124%0.238CC..Hα-helixtrans-60.9-41.7177.8-74.7-14.8000112.4P135 H148 F154 Y166 F167P135-N150 WeakPolarHBondContact CB-OD1 3.34Å; P135-N150 WeakPolarHBondContact CG-OD1 3.15Å; H148-N150 VanDerWaalsContact C-N 3.31Å; H148-N150 PolarHBondContact O-N 3.34Å; N150-F154 WeakPolarHBondContact O-CB 2.71Å; N150-F154 PolarHBondContact O-N 3.29Å; N150-Y166 HydrophobicContact CB-CD1 4.01Å; N150-Y166 HydrophobicContact CB-CE1 4.43Å; N150-F167 PolarHBondContact ND2-O 2.65Å; N150-F167 PolarHBondContact OD1-N 3.48Å
151H97Very high93Very high74 Ų7449.4 Ų49.434%0.34326%0.258SS..Hα-helixtrans-68.6-45.7178.7-177.986.8000110.8V145 R146 H148 S149 A153 F154 V155V145-H151 WeakPolarHBondContact O-CB 3.49Å; R146-H151 VanDerWaalsContact CA-CD2 3.47Å; R146-H151 WeakPolarHBondContact CA-CD2 2.92Å; R146-H151 PolarHBondContact O-CD2 2.67Å; H148-H151 WeakPolarHBondContact O-CB 3.34Å; H148-H151 PolarHBondContact O-N 2.97Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.31Å; H151-A153 PolarHBondContact O-N 3.21Å; H151-F154 PolarHBondContact O-N 3.2Å; H151-V155 WeakPolarHBondContact O-CG2 3.49Å; H151-V155 PolarHBondContact O-N 2.97Å
152L98.2Very high94Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-60.4-45.2177.2-65.2-178.3000111.6I110 L116 Y117 V120 R146 H148 S149 F154 L156I110-L152 HydrophobicContact CD1-CB 3.93Å; L116-L152 HydrophobicContact CB-CD1 3.83Å; Y117-L152 HydrophobicContact CD2-CD2 4.22Å; V120-L152 HydrophobicContact CB-CD2 4.2Å; V120-L152 HydrophobicContact CG2-CB 4.11Å; V120-L152 HydrophobicContact CG2-CD2 4.05Å; R146-L152 WeakPolarHBondContact O-CD2 3.45Å; H148-L152 WeakPolarHBondContact O-CG 3.49Å; H148-L152 PolarHBondContact O-N 2.84Å; S149-L152 PolarHBondContact O-N 3.4Å; L152-F154 PolarHBondContact O-N 2.91Å; L152-L156 WeakPolarHBondContact O-CB 3.49Å; L152-L156 PolarHBondContact O-N 2.9Å
153A98.5Very high95.1Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-60.3-44.7177.100000111.8I110 I133 P135 S149 H151 L156 S157 V164I110-A153 HydrophobicContact CG2-CB 3.79Å; I133-A153 HydrophobicContact CG2-CB 3.89Å; P135-A153 HydrophobicContact CB-CB 4.44Å; S149-A153 WeakPolarHBondContact O-CB 3.44Å; S149-A153 PolarHBondContact O-N 3.32Å; H151-A153 PolarHBondContact O-N 3.21Å; A153-L156 PolarHBondContact O-N 3.32Å; A153-S157 WeakPolarHBondContact O-CB 3.27Å; A153-S157 PolarHBondContact O-N 3.05Å; A153-S157 PolarHBondContact O-OG 2.7Å; A153-V164 HydrophobicContact CB-CG2 3.81Å
154F98.4Very high96.1Very high79 Ų7945.3 Ų45.335%0.34622%0.221SC..Hα-helixtrans-64.4-50.5177.6172.2-107.1000112.7N150 H151 L152 L156 S157 E158 Y166N150-F154 WeakPolarHBondContact O-CB 2.71Å; N150-F154 PolarHBondContact O-N 3.29Å; H151-F154 PolarHBondContact O-N 3.2Å; L152-F154 PolarHBondContact O-N 2.91Å; F154-L156 PolarHBondContact O-N 2.91Å; F154-S157 PolarHBondContact O-N 3.19Å; F154-S157 VanDerWaalsContact O-N 3.14Å; F154-S157 PolarHBondContact O-OG 2.98Å; F154-E158 HydrophobicContact CD2-CG 4.39Å; F154-E158 HydrophobicContact CE1-CG 4.2Å; F154-E158 HydrophobicContact CE2-CG 3.88Å; F154-E158 HydrophobicContact CZ-CG 3.78Å; F154-E158 WeakPolarHBondContact O-CG 3.13Å; F154-E158 PolarHBondContact O-N 3.34Å; F154-Y166 WeakPolarHBondContact CD2-OH 3Å
155V98.6Very high96.9Very high30 Ų3042.5 Ų42.518%0.18221%0.21CC..Hα-helixtrans-61.2-38.4179.5174.60000110.5V120 H151 E158 K159V120-V155 HydrophobicContact CG1-CB 3.72Å; V120-V155 HydrophobicContact CG1-CG1 3.47Å; V120-V155 VanDerWaalsContact CG1-CG1 3.47Å; H151-V155 WeakPolarHBondContact O-CG2 3.49Å; H151-V155 PolarHBondContact O-N 2.97Å; V155-E158 PolarHBondContact O-N 3.17Å; V155-K159 WeakPolarHBondContact O-CG 3.42Å; V155-K159 PolarHBondContact O-N 3.26Å; V155-K159 VanDerWaalsContact O-N 3.1Å
156L98.5Very high97.3Very high0 Ų042.6 Ų42.60%020%0.202CC..Hα-helixtrans-67.6-37.9177.3-165.862.5000112.4L108 I110 Y119 V120 A123 I133 L152 A153 F154 E158 K159 Y160L108-L156 HydrophobicContact CD2-CD2 3.82Å; I110-L156 HydrophobicContact CD1-CD2 4.07Å; Y119-L156 HydrophobicContact CE1-CD1 4.34Å; Y119-L156 HydrophobicContact CE1-CD2 3.84Å; Y119-L156 WeakPolarHBondContact OH-CD1 3.4Å; Y119-L156 WeakPolarHBondContact OH-CD2 3.3Å; V120-L156 HydrophobicContact CG1-CB 4.37Å; V120-L156 HydrophobicContact CG2-CB 4.32Å; V120-L156 HydrophobicContact CG2-CD1 4.35Å; A123-L156 HydrophobicContact CB-CD1 3.63Å; I133-L156 HydrophobicContact CD1-CB 3.94Å; I133-L156 HydrophobicContact CD1-CD2 3.9Å; I133-L156 HydrophobicContact CD1-CG 3.72Å; I133-L156 HydrophobicContact CG2-CD2 4.41Å; L152-L156 WeakPolarHBondContact O-CB 3.49Å; L152-L156 PolarHBondContact O-N 2.9Å; A153-L156 PolarHBondContact O-N 3.32Å; F154-L156 PolarHBondContact O-N 2.91Å; L156-E158 VanDerWaalsContact C-N 3.33Å; L156-K159 PolarHBondContact O-N 3.15Å; L156-Y160 HydrophobicContact CD1-CD2 3.82Å; L156-Y160 HydrophobicContact CD1-CE1 4.15Å; L156-Y160 HydrophobicContact CD1-CE2 3.33Å; L156-Y160 HydrophobicContact CD1-CG 4.4Å; L156-Y160 HydrophobicContact CD2-CD2 4.32Å; L156-Y160 HydrophobicContact CD2-CE2 3.94Å; L156-Y160 HydrophobicContact CG-CD2 3.68Å; L156-Y160 HydrophobicContact CG-CE2 3.56Å; L156-Y160 HydrophobicContact CG-CG 4.47Å; L156-Y160 WeakPolarHBondContact O-CB 3.37Å; L156-Y160 PolarHBondContact O-N 3.39Å
157S98.6Very high97.6Very high4 Ų437.8 Ų37.83%0.02818%0.184CC..Hα-helixtrans-67.4-35.317767.40000112.6A153 F154 K159 N161 S162A153-S157 WeakPolarHBondContact O-CB 3.27Å; A153-S157 PolarHBondContact O-N 3.05Å; A153-S157 PolarHBondContact O-OG 2.7Å; F154-S157 PolarHBondContact O-N 3.19Å; F154-S157 VanDerWaalsContact O-N 3.14Å; F154-S157 PolarHBondContact O-OG 2.98Å; S157-K159 VanDerWaalsContact C-N 3.35Å; S157-N161 VanDerWaalsContact O-CA 3.26Å; S157-N161 WeakPolarHBondContact O-CA 3.07Å; S157-N161 PolarHBondContact O-N 2.87Å; S157-S162 WeakPolarHBondContact CA-OG 2.98Å; S157-S162 PolarHBondContact O-N 3.41Å
158E98.7Very high97.6Very high129 Ų12943.4 Ų43.460%0.60321%0.205SC*.Hα-helixtrans-64.4-41.4172.4-66.8-64.1106.900111.2F154 V155 L156F154-E158 HydrophobicContact CD2-CG 4.39Å; F154-E158 HydrophobicContact CE1-CG 4.2Å; F154-E158 HydrophobicContact CE2-CG 3.88Å; F154-E158 HydrophobicContact CZ-CG 3.78Å; F154-E158 WeakPolarHBondContact O-CG 3.13Å; F154-E158 PolarHBondContact O-N 3.34Å; V155-E158 PolarHBondContact O-N 3.17Å; L156-E158 VanDerWaalsContact C-N 3.33Å
159K98.6Very high97.6Very high39 Ų3943.1 Ų43.117%0.1721%0.206CC..Hα-helixtrans-69.7-39.5178.1-73.8-176.1165.9-157.20112.9V120 E121 A123 L125 L126 V155 L156 S157V120-K159 WeakPolarHBondContact O-CD 3.29Å; V120-K159 WeakPolarHBondContact O-CE 3.46Å; V120-K159 PolarHBondContact O-NZ 3.4Å; E121-K159 PolarHBondContact O-NZ 2.8Å; A123-K159 HydrophobicContact CB-CD 3.92Å; A123-K159 PolarHBondContact O-NZ 2.75Å; L125-K159 CarbonylContact C-O 3.46Å; L125-K159 VanDerWaalsContact CA-O 3.24Å; L125-K159 WeakPolarHBondContact CA-O 3.48Å; L125-K159 HydrophobicContact CD2-CB 4.2Å; L125-K159 HydrophobicContact CD2-CG 4.08Å; L126-K159 PolarHBondContact N-O 3.15Å; V155-K159 WeakPolarHBondContact O-CG 3.42Å; V155-K159 PolarHBondContact O-N 3.26Å; V155-K159 VanDerWaalsContact O-N 3.1Å; L156-K159 PolarHBondContact O-N 3.15Å; S157-K159 VanDerWaalsContact C-N 3.35Å
160Y98.6Very high97.5Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-90.2-1.7-178.5-67.5-15.2000113.6E99 L102 Y119 A123 N124 L126 L128 L131 I133 L156 S162E99-Y160 HydrophobicContact CG-CE1 4.1Å; E99-Y160 WeakPolarHBondContact CG-OH 3.21Å; E99-Y160 WeakPolarHBondContact OE1-CE1 3.19Å; E99-Y160 PolarHBondContact OE1-OH 2.7Å; L102-Y160 HydrophobicContact CD1-CD2 3.8Å; L102-Y160 HydrophobicContact CD1-CE2 3.29Å; Y119-Y160 WeakPolarHBondContact OH-CE2 3.31Å; Y119-Y160 PolarHBondContact OH-OH 2.87Å; Y119-Y160 VanDerWaalsContact OH-OH 3.09Å; A123-Y160 HydrophobicContact CB-CE1 3.87Å; N124-Y160 WeakPolarHBondContact O-CD1 3.39Å; N124-Y160 WeakPolarHBondContact O-CE1 3.45Å; L126-Y160 CarbonylContact C-O 3.52Å; L126-Y160 HydrophobicContact CB-CD1 3.92Å; L126-Y160 HydrophobicContact CD1-CD1 3.9Å; L126-Y160 HydrophobicContact CD1-CE1 3.75Å; L126-Y160 HydrophobicContact CG-CD1 4.03Å; L126-Y160 HydrophobicContact CG-CE1 4.17Å; L126-Y160 CarbonylContact O-C 3.53Å; L126-Y160 WeakPolarHBondContact O-CA 3.35Å; L128-Y160 HydrophobicContact CD1-CD2 4.2Å; L128-Y160 HydrophobicContact CD1-CG 4.04Å; L128-Y160 PolarHBondContact N-O 3.41Å; L131-Y160 HydrophobicContact CD2-CD2 4.35Å; I133-Y160 HydrophobicContact CD1-CD2 4.19Å; L156-Y160 HydrophobicContact CD1-CD2 3.82Å; L156-Y160 HydrophobicContact CD1-CE1 4.15Å; L156-Y160 HydrophobicContact CD1-CE2 3.33Å; L156-Y160 HydrophobicContact CD1-CG 4.4Å; L156-Y160 HydrophobicContact CD2-CD2 4.32Å; L156-Y160 HydrophobicContact CD2-CE2 3.94Å; L156-Y160 HydrophobicContact CG-CD2 3.68Å; L156-Y160 HydrophobicContact CG-CE2 3.56Å; L156-Y160 HydrophobicContact CG-CG 4.47Å; L156-Y160 WeakPolarHBondContact O-CB 3.37Å; L156-Y160 PolarHBondContact O-N 3.39Å; Y160-S162 PolarHBondContact O-N 3.09Å
161N98.3Very high97.3Very high84 Ų8444.1 Ų44.145%0.44922%0.215SC..THydrogen-bonded Turntrans45.761.9-173.1-173.850000110.4N127 L128 N129 S157N127-N161 PolarHBondContact OD1-ND2 2.77Å; L128-N161 CarbonylContact C-O 3.54Å; N129-N161 WeakPolarHBondContact CA-O 3.39Å; N129-N161 PolarHBondContact N-O 2.94Å; N129-N161 PolarHBondContact OD1-ND2 3.11Å; N129-N161 PolarHBondContact OD1-O 3.22Å; S157-N161 VanDerWaalsContact O-CA 3.26Å; S157-N161 WeakPolarHBondContact O-CA 3.07Å; S157-N161 PolarHBondContact O-N 2.87Å
162S98.6Very high97Very high20 Ų2041.7 Ų41.714%0.1420%0.204CC..  trans-131.9170.9-170.979.10000111.6L128 L131 I133 S157 Y160L128-S162 WeakPolarHBondContact O-CB 3.33Å; L131-S162 WeakPolarHBondContact O-CB 3.12Å; I133-S162 VanDerWaalsContact CD1-OG 3.25Å; I133-S162 WeakPolarHBondContact CD1-OG 3.41Å; I133-S162 WeakPolarHBondContact CG1-OG 3.45Å; S157-S162 WeakPolarHBondContact CA-OG 2.98Å; S157-S162 PolarHBondContact O-N 3.41Å; Y160-S162 PolarHBondContact O-N 3.09Å
163E98.6Very high96.7Very high121 Ų12141.7 Ų41.757%0.56520%0.204SC*.EExtended strand (participates in β ladder)trans-74.9156171.9-68.1-174-172.100111.5L131 K132 I133L131-E163 PolarHBondContact O-N 3.3Å; K132-E163 WeakPolarHBondContact CA-O 3.38Å; K132-E163 HydrophobicContact CB-CB 4.12Å; K132-E163 HydrophobicContact CG-CB 3.91Å; I133-E163 PolarHBondContact N-O 2.66Å
164V98.6Very high96.3Very high40 Ų4048.2 Ų48.224%0.24224%0.239CC..EExtended strand (participates in β ladder)trans-140.8138.9176.963.80000112.1I133 A153 Y166I133-V164 WeakPolarHBondContact O-CA 3.37Å; A153-V164 HydrophobicContact CB-CG2 3.81Å; V164-Y166 HydrophobicContact CG1-CE2 3.96Å
165S98.5Very high96.1Very high15 Ų1547.5 Ų47.511%0.10524%0.241CC..  trans-100.6163.1168.1-750000111.4K132 I133 P135 E194K132-S165 WeakPolarHBondContact CE-OG 3.45Å; K132-S165 PolarHBondContact NZ-OG 3.3Å; K132-S165 VanDerWaalsContact NZ-OG 3.11Å; I133-S165 PolarHBondContact O-N 3.24Å; P135-S165 WeakPolarHBondContact CD-O 3.33Å; P135-S165 WeakPolarHBondContact CG-O 3.4Å; S165-E194 WeakPolarHBondContact CB-OE1 3.32Å; S165-E194 PolarHBondContact OG-OE1 3.39Å; S165-E194 PolarHBondContact OG-OE2 3.02Å
166Y97.2Very high95.9Very high79 Ų7949.5 Ų49.531%0.3125%0.25SS..  trans-125.4136176.7-74.2-94000111N150 F154 V164 Y168N150-Y166 HydrophobicContact CB-CD1 4.01Å; N150-Y166 HydrophobicContact CB-CE1 4.43Å; F154-Y166 WeakPolarHBondContact CD2-OH 3Å; V164-Y166 HydrophobicContact CG1-CE2 3.96Å; Y166-Y168 VanDerWaalsContact CB-CZ 3.46Å; Y166-Y168 PolarHBondContact O-N 3.29Å
167F97Very high95.8Very high2 Ų256.2 Ų56.21%0.00928%0.282CS..  trans-90.997171.8-153-48.8000109.2P135 N150 A169 I188 I191 I192P135-F167 HydrophobicContact CB-CB 4.27Å; P135-F167 HydrophobicContact CG-CB 3.93Å; N150-F167 PolarHBondContact ND2-O 2.65Å; N150-F167 PolarHBondContact OD1-N 3.48Å; F167-A169 HydrophobicContact CD1-CB 3.71Å; F167-A169 HydrophobicContact CE1-CB 3.58Å; F167-A169 PolarHBondContact O-N 3.3Å; F167-I188 HydrophobicContact CE1-CG2 4.21Å; F167-I191 HydrophobicContact CB-CG1 4.14Å; F167-I191 HydrophobicContact CD1-CG2 3.96Å; F167-I191 HydrophobicContact CD2-CG1 3.86Å; F167-I191 HydrophobicContact CD2-CG2 3.95Å; F167-I191 HydrophobicContact CE1-CG2 3.98Å; F167-I191 HydrophobicContact CE2-CG1 4.48Å; F167-I191 HydrophobicContact CE2-CG2 3.98Å; F167-I191 HydrophobicContact CG-CG1 4.07Å; F167-I191 HydrophobicContact CG-CG2 3.94Å; F167-I191 HydrophobicContact CZ-CG2 4Å; F167-I192 HydrophobicContact CE2-CG1 3.95Å; F167-I192 HydrophobicContact CZ-CD1 4.08Å; F167-I192 HydrophobicContact CZ-CG1 3.63Å
168Y93.7Very high95.7Very high146 Ų14658.7 Ų58.757%0.57330%0.296SS*.  trans-84.257.3-178.4-61.3-74.3000112.6Y166 L187Y166-Y168 VanDerWaalsContact CB-CZ 3.46Å; Y166-Y168 PolarHBondContact O-N 3.29Å; Y168-L187 VanDerWaalsContact CB-CD2 3.5Å; Y168-L187 HydrophobicContact CD2-CD1 4.09Å; Y168-L187 HydrophobicContact CD2-CD2 3.6Å; Y168-L187 HydrophobicContact CD2-CG 4.07Å; Y168-L187 HydrophobicContact CE2-CD1 4.46Å; Y168-L187 HydrophobicContact CG-CD2 3.91Å
169A93.9Very high95.6Very high11 Ų1153.7 Ų53.79%0.09127%0.273CS..SBendtrans-148.5156.217400000110.1G138 G139 F167 I188 L258G138-A169 CarbonylContact C-O 3.53Å; G138-A169 WeakPolarHBondContact CA-O 3.32Å; G139-A169 PolarHBondContact N-O 2.75Å; F167-A169 HydrophobicContact CD1-CB 3.71Å; F167-A169 HydrophobicContact CE1-CB 3.58Å; F167-A169 PolarHBondContact O-N 3.3Å; A169-I188 HydrophobicContact CB-CD1 3.75Å; A169-I188 HydrophobicContact CB-CG1 4.29Å; A169-L258 HydrophobicContact CB-CD1 4.15Å
170P92.8Very high95.5Very high53 Ų5356.6 Ų56.634%0.34429%0.287SS..BIsolated β-bridgetrans-66.7148.7167.831.1-36.1000110.2G139 I172 L182 L258G139-P170 CarbonylContact O-C 3.46Å; G139-P170 WeakPolarHBondContact O-CA 3.27Å; P170-I172 WeakPolarHBondContact CB-O 3.42Å; P170-I172 PolarHBondContact O-N 3.19Å; P170-L182 HydrophobicContact CG-CD1 4.06Å; P170-L258 HydrophobicContact CG-CD1 4.43Å; P170-L258 WeakPolarHBondContact O-CB 3.15Å; P170-L258 WeakPolarHBondContact O-CD1 3.22Å
171A91.7Very high95.5Very high1 Ų160.6 Ų60.61%0.00831%0.311CS..SBendtrans-63.2-32.5171.600000111.5I137 G138 G139 I140 L257 L258I137-A171 HydrophobicContact CD1-CB 4.11Å; I137-A171 HydrophobicContact CG1-CB 4.1Å; G138-A171 WeakPolarHBondContact O-CB 3.49Å; G139-A171 PolarHBondContact O-N 2.68Å; I140-A171 HydrophobicContact CB-CB 3.77Å; I140-A171 HydrophobicContact CD1-CB 4.41Å; I140-A171 HydrophobicContact CG1-CB 4.15Å; A171-L257 CarbonylContact O-C 3.5Å; A171-L257 VanDerWaalsContact O-CA 3.24Å; A171-L257 WeakPolarHBondContact O-CA 3.41Å; A171-L258 PolarHBondContact O-N 2.85Å
172I91.1Very high95.4Very high22 Ų2258.6 Ų58.611%0.11330%0.301CS..BIsolated β-bridgetrans-127.5112.9177.8-51.7166.2000107.2I140 P170 Y214 I220 F253 R256 L257I140-I172 HydrophobicContact CD1-CD1 4.09Å; I140-I172 HydrophobicContact CG1-CD1 4.39Å; P170-I172 WeakPolarHBondContact CB-O 3.42Å; P170-I172 PolarHBondContact O-N 3.19Å; I172-Y214 HydrophobicContact CD1-CE1 4.21Å; I172-I220 HydrophobicContact CD1-CG2 4.49Å; I172-F253 HydrophobicContact CD1-CD2 4.23Å; I172-F253 HydrophobicContact CD1-CE2 4.45Å; I172-F253 HydrophobicContact CG1-CD2 4.45Å; I172-F253 HydrophobicContact CG2-CB 4.47Å; I172-F253 HydrophobicContact CG2-CD2 4.42Å; I172-R256 HydrophobicContact CG2-CB 4.14Å; I172-R256 VanDerWaalsContact CG2-NH1 3.34Å; I172-L257 HydrophobicContact CG1-CD2 3.72Å
173A92.9Very high95.3Very high0 Ų060.7 Ų60.70%031%0.31CS..  trans-72.4145173.100000110.9T175 V178 K179 L182 R256 L258A173-T175 VanDerWaalsContact C-N 3.27Å; A173-T175 PolarHBondContact O-N 3.14Å; A173-V178 HydrophobicContact CB-CB 4.28Å; A173-V178 HydrophobicContact CB-CG1 4.01Å; A173-K179 HydrophobicContact CB-CB 3.76Å; A173-L182 HydrophobicContact CB-CD1 4.32Å; A173-R256 PolarHBondContact N-O 2.75Å; A173-R256 WeakPolarHBondContact O-CB 3.25Å; A173-R256 VanDerWaalsContact O-CD 3.32Å; A173-R256 WeakPolarHBondContact O-CD 3.48Å; A173-R256 PolarHBondContact O-NH1 2.57Å; A173-L258 HydrophobicContact CB-CD1 4.12Å
174D90.2Very high95.2Very high137 Ų13761.8 Ų61.873%0.73331%0.313SS*.SBendtrans-56.1-39.6-177.1-66.3-31.1000113.6R256D174-R256 PolarHBondContact O-NH1 3.36Å; D174-R256 VanDerWaalsContact O-NH1 3.13Å
175T93.2Very high95.1Very high64 Ų6462.2 Ų62.239%0.39332%0.318SS..SBendtrans-133.6166.2176.572.60000111.1A173 E177 V178 K179A173-T175 VanDerWaalsContact C-N 3.27Å; A173-T175 PolarHBondContact O-N 3.14Å; T175-E177 VanDerWaalsContact C-N 3.31Å; T175-E177 PolarHBondContact OG1-N 2.86Å; T175-V178 PolarHBondContact O-N 2.92Å; T175-V178 WeakPolarHBondContact OG1-CG2 3.32Å; T175-V178 PolarHBondContact OG1-N 3.19Å; T175-V178 VanDerWaalsContact OG1-N 3.11Å; T175-K179 PolarHBondContact O-N 2.87Å; T175-K179 VanDerWaalsContact O-N 3.09Å
176L94.2Very high95Very high72 Ų7266.9 Ų66.938%0.37734%0.338SS..Hα-helixtrans-62.3-39.9173.3-178.158.8000111.6V178 K179 E180 Q255L176-V178 VanDerWaalsContact C-N 3.33Å; L176-V178 PolarHBondContact O-N 2.95Å; L176-K179 HydrophobicContact CD1-CD 4.45Å; L176-K179 WeakPolarHBondContact O-CB 3.28Å; L176-K179 PolarHBondContact O-N 2.93Å; L176-K179 VanDerWaalsContact O-N 3.17Å; L176-E180 WeakPolarHBondContact O-CG 3.24Å; L176-E180 PolarHBondContact O-N 3.46Å; L176-Q255 HydrophobicContact CD1-CB 4.22Å
177E97.3Very high94.9Very high142 Ų14267.2 Ų67.266%0.66434%0.344SS*.Hα-helixtrans-61-40175.9-177-178.8-175.600112.2T175 E180 T181T175-E177 VanDerWaalsContact C-N 3.31Å; T175-E177 PolarHBondContact OG1-N 2.86Å; E177-E180 PolarHBondContact O-N 3.01Å; E177-T181 WeakPolarHBondContact O-CB 3.41Å; E177-T181 PolarHBondContact O-N 2.92Å; E177-T181 PolarHBondContact O-OG1 3.28Å
178V96.3Very high94.9Very high55 Ų5567.3 Ų67.333%0.33335%0.345SS..Hα-helixtrans-64.6-43.3174.6172.80000110.5A173 T175 L176 E180 T181 L182A173-V178 HydrophobicContact CB-CB 4.28Å; A173-V178 HydrophobicContact CB-CG1 4.01Å; T175-V178 PolarHBondContact O-N 2.92Å; T175-V178 WeakPolarHBondContact OG1-CG2 3.32Å; T175-V178 PolarHBondContact OG1-N 3.19Å; T175-V178 VanDerWaalsContact OG1-N 3.11Å; L176-V178 VanDerWaalsContact C-N 3.33Å; L176-V178 PolarHBondContact O-N 2.95Å; V178-E180 PolarHBondContact O-N 3.32Å; V178-T181 PolarHBondContact O-N 2.75Å; V178-L182 HydrophobicContact CG1-CD1 3.86Å; V178-L182 HydrophobicContact CG1-CG 4.33Å; V178-L182 WeakPolarHBondContact O-CB 3.4Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.3Å; V178-L182 PolarHBondContact O-N 3.06Å
179K96.1Very high95Very high25 Ų2564.3 Ų64.311%0.10934%0.335CS..Hα-helixtrans-56.7-49.9173.5174179.2173.61670111.2A173 T175 L176 T181 L182 L183 Q255 L257 L258A173-K179 HydrophobicContact CB-CB 3.76Å; T175-K179 PolarHBondContact O-N 2.87Å; T175-K179 VanDerWaalsContact O-N 3.09Å; L176-K179 HydrophobicContact CD1-CD 4.45Å; L176-K179 WeakPolarHBondContact O-CB 3.28Å; L176-K179 PolarHBondContact O-N 2.93Å; L176-K179 VanDerWaalsContact O-N 3.17Å; K179-T181 VanDerWaalsContact C-N 3.26Å; K179-T181 PolarHBondContact O-N 3.06Å; K179-L182 PolarHBondContact O-N 2.86Å; K179-L183 HydrophobicContact CD-CD1 4.49Å; K179-L183 HydrophobicContact CG-CD1 3.95Å; K179-L183 HydrophobicContact CG-CG 4.3Å; K179-L183 WeakPolarHBondContact O-CG 3.26Å; K179-L183 PolarHBondContact O-N 3.44Å; K179-Q255 WeakPolarHBondContact CD-O 3.44Å; K179-Q255 WeakPolarHBondContact CE-O 3.46Å; K179-Q255 PolarHBondContact NZ-O 2.94Å; K179-L257 WeakPolarHBondContact CE-O 3.43Å; K179-L257 PolarHBondContact NZ-O 2.83Å; K179-L258 HydrophobicContact CG-CD2 3.8Å; K179-L258 HydrophobicContact CG-CG 4.06Å
180E96.8Very high95.2Very high99 Ų9970.1 Ų70.146%0.46336%0.36SS..Hα-helixtrans-61.7-36.6-178.7-71.6175.9178.400112.2L176 E177 V178 K184L176-E180 WeakPolarHBondContact O-CG 3.24Å; L176-E180 PolarHBondContact O-N 3.46Å; E177-E180 PolarHBondContact O-N 3.01Å; V178-E180 PolarHBondContact O-N 3.32Å; E180-K184 WeakPolarHBondContact O-CG 3.37Å; E180-K184 PolarHBondContact O-N 3.4Å
181T97.8Very high95.5Very high85 Ų8568 Ų6852%0.52135%0.346SS..Hα-helixtrans-67.7-45.2174.9-59.60000111.4E177 V178 K179 L183 K184E177-T181 WeakPolarHBondContact O-CB 3.41Å; E177-T181 PolarHBondContact O-N 2.92Å; E177-T181 PolarHBondContact O-OG1 3.28Å; V178-T181 PolarHBondContact O-N 2.75Å; K179-T181 VanDerWaalsContact C-N 3.26Å; K179-T181 PolarHBondContact O-N 3.06Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 3.37Å; T181-K184 WeakPolarHBondContact O-CB 3.38Å; T181-K184 PolarHBondContact O-N 3.43Å; T181-K184 VanDerWaalsContact O-N 3.11Å
182L96.8Very high95.8Very high42 Ų4269 Ų6922%0.2235%0.35CS..Hα-helixtrans-60.7-41.9176.2-74.1170.4000111.7P170 A173 V178 K179 K184 S185 I188 L258P170-L182 HydrophobicContact CG-CD1 4.06Å; A173-L182 HydrophobicContact CB-CD1 4.32Å; V178-L182 HydrophobicContact CG1-CD1 3.86Å; V178-L182 HydrophobicContact CG1-CG 4.33Å; V178-L182 WeakPolarHBondContact O-CB 3.4Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.3Å; V178-L182 PolarHBondContact O-N 3.06Å; K179-L182 PolarHBondContact O-N 2.86Å; L182-K184 PolarHBondContact O-N 3.41Å; L182-K184 VanDerWaalsContact O-N 3.13Å; L182-S185 WeakPolarHBondContact O-CB 3.37Å; L182-S185 PolarHBondContact O-N 3.38Å; L182-I188 HydrophobicContact CB-CD1 3.69Å; L182-I188 HydrophobicContact CD2-CD1 3.66Å; L182-I188 HydrophobicContact CG-CD1 4.24Å; L182-I188 WeakPolarHBondContact O-CB 3.28Å; L182-I188 VanDerWaalsContact O-CD1 3.31Å; L182-I188 WeakPolarHBondContact O-CD1 3.46Å; L182-L258 HydrophobicContact CB-CD1 4.17Å; L182-L258 HydrophobicContact CD1-CD1 3.54Å
183L95.8Very high96.1Very high64 Ų6471.6 Ų71.634%0.33536%0.362SS..THydrogen-bonded Turntrans-64.3-15.2176.7-71.5175.6000114.2K179 T181 I188 K189 I192 L258K179-L183 HydrophobicContact CD-CD1 4.49Å; K179-L183 HydrophobicContact CG-CD1 3.95Å; K179-L183 HydrophobicContact CG-CG 4.3Å; K179-L183 WeakPolarHBondContact O-CG 3.26Å; K179-L183 PolarHBondContact O-N 3.44Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 3.37Å; L183-I188 HydrophobicContact CD2-CG2 4.35Å; L183-K189 VanDerWaalsContact O-CE 3.22Å; L183-K189 WeakPolarHBondContact O-CE 3.5Å; L183-K189 WeakPolarHBondContact O-CG 3.48Å; L183-I192 HydrophobicContact CD2-CD1 3.57Å; L183-L258 HydrophobicContact CD2-CD2 3.6Å; L183-L258 HydrophobicContact CG-CD2 3.82Å
184K96.7Very high96.4Very high144 Ų14473.6 Ų73.663%0.62637%0.372SS*.THydrogen-bonded Turntrans-82.2-18.1173-67.8168.2-172170.90112.8E180 T181 L182 K189E180-K184 WeakPolarHBondContact O-CG 3.37Å; E180-K184 PolarHBondContact O-N 3.4Å; T181-K184 WeakPolarHBondContact O-CB 3.38Å; T181-K184 PolarHBondContact O-N 3.43Å; T181-K184 VanDerWaalsContact O-N 3.11Å; L182-K184 PolarHBondContact O-N 3.41Å; L182-K184 VanDerWaalsContact O-N 3.13Å; K184-K189 WeakPolarHBondContact O-CE 2.98Å; K184-K189 PolarHBondContact O-NZ 3.09Å
185S97.1Very high96.8Very high49 Ų4967.1 Ų67.134%0.34334%0.337SS..SBendtrans-66.4128.1176.9178.90000110.9L182 L187 I188 K189L182-S185 WeakPolarHBondContact O-CB 3.37Å; L182-S185 PolarHBondContact O-N 3.38Å; S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.03Å; S185-I188 PolarHBondContact O-N 3.29Å; S185-I188 VanDerWaalsContact O-N 3.08Å; S185-K189 PolarHBondContact O-N 2.92Å
186E96.3Very high97Very high113 Ų11367 Ų6753%0.52833%0.331SS..Hα-helixtrans-59.1-41.3178.2-64.4-52.5125.200111.8I188 K189 E190E186-I188 PolarHBondContact O-N 3.13Å; E186-K189 PolarHBondContact O-N 3.12Å; E186-K189 VanDerWaalsContact O-N 3.13Å; E186-K189 IonicContact OE1-NZ 2.65Å; E186-K189 PolarHBondContact OE1-NZ 2.87Å; E186-E190 WeakPolarHBondContact O-CB 3.41Å; E186-E190 WeakPolarHBondContact O-CG 3.35Å; E186-E190 PolarHBondContact O-N 2.72Å
187L95.2Very high97.2Very high86 Ų8669.4 Ų69.445%0.4534%0.338SS..Hα-helixtrans-56.5-37.3175.6-174.7104000112.6Y168 S185 I191Y168-L187 VanDerWaalsContact CB-CD2 3.5Å; Y168-L187 HydrophobicContact CD2-CD1 4.09Å; Y168-L187 HydrophobicContact CD2-CD2 3.6Å; Y168-L187 HydrophobicContact CD2-CG 4.07Å; Y168-L187 HydrophobicContact CE2-CD1 4.46Å; Y168-L187 HydrophobicContact CG-CD2 3.91Å; S185-L187 VanDerWaalsContact C-N 3.29Å; S185-L187 PolarHBondContact O-N 3.03Å; L187-I191 WeakPolarHBondContact O-CG2 3.4Å; L187-I191 PolarHBondContact O-N 2.92Å
188I96.3Very high97.3Very high3 Ų362.7 Ų62.72%0.01531%0.307CS..Hα-helixtrans-79.9-36.6179.1-66.3178000110.9F167 A169 L182 L183 S185 E186 I191 I192F167-I188 HydrophobicContact CE1-CG2 4.21Å; A169-I188 HydrophobicContact CB-CD1 3.75Å; A169-I188 HydrophobicContact CB-CG1 4.29Å; L182-I188 HydrophobicContact CB-CD1 3.69Å; L182-I188 HydrophobicContact CD2-CD1 3.66Å; L182-I188 HydrophobicContact CG-CD1 4.24Å; L182-I188 WeakPolarHBondContact O-CB 3.28Å; L182-I188 VanDerWaalsContact O-CD1 3.31Å; L182-I188 WeakPolarHBondContact O-CD1 3.46Å; L183-I188 HydrophobicContact CD2-CG2 4.35Å; S185-I188 PolarHBondContact O-N 3.29Å; S185-I188 VanDerWaalsContact O-N 3.08Å; E186-I188 PolarHBondContact O-N 3.13Å; I188-I191 VanDerWaalsContact O-CG2 3.29Å; I188-I191 WeakPolarHBondContact O-CG2 3.21Å; I188-I192 HydrophobicContact CG2-CD1 3.85Å; I188-I192 WeakPolarHBondContact O-CB 3.44Å; I188-I192 VanDerWaalsContact O-CG1 3.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 PolarHBondContact O-N 3.31Å; I188-I192 VanDerWaalsContact O-N 3.15Å
189K97.1Very high97.4Very high84 Ų8462.4 Ų62.437%0.36530%0.304SS..Hα-helixtrans-62.9-45.3173-68.8176-169.2161.10111.4L183 K184 S185 E186 I192 E193L183-K189 VanDerWaalsContact O-CE 3.22Å; L183-K189 WeakPolarHBondContact O-CE 3.5Å; L183-K189 WeakPolarHBondContact O-CG 3.48Å; K184-K189 WeakPolarHBondContact O-CE 2.98Å; K184-K189 PolarHBondContact O-NZ 3.09Å; S185-K189 PolarHBondContact O-N 2.92Å; E186-K189 PolarHBondContact O-N 3.12Å; E186-K189 VanDerWaalsContact O-N 3.13Å; E186-K189 IonicContact OE1-NZ 2.65Å; E186-K189 PolarHBondContact OE1-NZ 2.87Å; K189-I192 PolarHBondContact O-N 2.99Å; K189-E193 WeakPolarHBondContact O-CB 3.23Å; K189-E193 WeakPolarHBondContact O-CG 3.34Å; K189-E193 PolarHBondContact O-N 2.84Å
190E97.7Very high97.5Very high132 Ų13261.2 Ų61.262%0.61730%0.298SS*.Hα-helixtrans-59.2-48.9-179.5-76.7176.4-174.600111.8E186 I192 E193 E194E186-E190 WeakPolarHBondContact O-CB 3.41Å; E186-E190 WeakPolarHBondContact O-CG 3.35Å; E186-E190 PolarHBondContact O-N 2.72Å; E190-I192 VanDerWaalsContact C-N 3.35Å; E190-I192 PolarHBondContact O-N 3.16Å; E190-E193 PolarHBondContact O-N 3.09Å; E190-E194 WeakPolarHBondContact O-CB 3.22Å; E190-E194 PolarHBondContact O-N 2.93Å
191I97.9Very high97.6Very high10 Ų1056.5 Ų56.55%0.05128%0.276CS..Hα-helixtrans-66.7-36179.4-169.263.4000112.5T134 P135 F167 L187 I188 E194 G195T134-I191 HydrophobicContact CG2-CD1 3.71Å; P135-I191 HydrophobicContact CG-CD1 4.49Å; F167-I191 HydrophobicContact CB-CG1 4.14Å; F167-I191 HydrophobicContact CD1-CG2 3.96Å; F167-I191 HydrophobicContact CD2-CG1 3.86Å; F167-I191 HydrophobicContact CD2-CG2 3.95Å; F167-I191 HydrophobicContact CE1-CG2 3.98Å; F167-I191 HydrophobicContact CE2-CG1 4.48Å; F167-I191 HydrophobicContact CE2-CG2 3.98Å; F167-I191 HydrophobicContact CG-CG1 4.07Å; F167-I191 HydrophobicContact CG-CG2 3.94Å; F167-I191 HydrophobicContact CZ-CG2 4Å; L187-I191 WeakPolarHBondContact O-CG2 3.4Å; L187-I191 PolarHBondContact O-N 2.92Å; I188-I191 VanDerWaalsContact O-CG2 3.29Å; I188-I191 WeakPolarHBondContact O-CG2 3.21Å; I191-E194 PolarHBondContact O-N 3.34Å; I191-G195 PolarHBondContact O-N 2.71Å
192I98Very high97.7Very high20 Ų2052.4 Ų52.410%0.10325%0.252CS..Hα-helixtrans-64.8-47.7174.2-72.8171.6000110.1F167 L183 I188 K189 E190 E194 G195 K196 I260F167-I192 HydrophobicContact CE2-CG1 3.95Å; F167-I192 HydrophobicContact CZ-CD1 4.08Å; F167-I192 HydrophobicContact CZ-CG1 3.63Å; L183-I192 HydrophobicContact CD2-CD1 3.57Å; I188-I192 HydrophobicContact CG2-CD1 3.85Å; I188-I192 WeakPolarHBondContact O-CB 3.44Å; I188-I192 VanDerWaalsContact O-CG1 3.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.46Å; I188-I192 PolarHBondContact O-N 3.31Å; I188-I192 VanDerWaalsContact O-N 3.15Å; K189-I192 PolarHBondContact O-N 2.99Å; E190-I192 VanDerWaalsContact C-N 3.35Å; E190-I192 PolarHBondContact O-N 3.16Å; I192-E194 VanDerWaalsContact C-N 3.3Å; I192-E194 PolarHBondContact O-N 3.3Å; I192-G195 PolarHBondContact O-N 2.99Å; I192-K196 HydrophobicContact CG2-CD 4.49Å; I192-K196 WeakPolarHBondContact O-CG 3.4Å; I192-K196 PolarHBondContact O-N 3.04Å; I192-I260 HydrophobicContact CB-CD1 4.38Å; I192-I260 HydrophobicContact CG2-CD1 4.09Å; I192-I260 WeakPolarHBondContact O-CD1 3.42Å
193E98.2Very high97.7Very high78 Ų7850.5 Ų50.536%0.36424%0.241SC..Hα-helixtrans-65.5-32.6178.4-72.8-58.4124.300112.9K189 E190 K196 K197K189-E193 WeakPolarHBondContact O-CB 3.23Å; K189-E193 WeakPolarHBondContact O-CG 3.34Å; K189-E193 PolarHBondContact O-N 2.84Å; E190-E193 PolarHBondContact O-N 3.09Å; E193-K196 WeakPolarHBondContact OE1-CD 3.43Å; E193-K196 WeakPolarHBondContact OE1-CE 3.19Å; E193-K196 IonicContact OE1-NZ 3.89Å; E193-K196 PolarHBondContact OE1-NZ 2.74Å; E193-K197 WeakPolarHBondContact O-CD 3.37Å; E193-K197 WeakPolarHBondContact O-CG 3.44Å; E193-K197 PolarHBondContact O-N 3.27Å
194E98.5Very high97.7Very high42 Ų4248.1 Ų48.120%0.19623%0.233CC..Hα-helixtrans-64.1-48.7170.8-172.5175.310300111K132 T134 S165 E190 I191 I192 K196 K197 V198K132-E194 IonicContact NZ-OE1 2.7Å; K132-E194 IonicContact NZ-OE2 2.72Å; K132-E194 PolarHBondContact NZ-OE2 2.92Å; T134-E194 HydrophobicContact CG2-CB 4.26Å; T134-E194 HydrophobicContact CG2-CG 3.93Å; T134-E194 WeakPolarHBondContact CG2-OE1 3.28Å; T134-E194 PolarHBondContact OG1-OE1 2.73Å; S165-E194 WeakPolarHBondContact CB-OE1 3.32Å; S165-E194 PolarHBondContact OG-OE1 3.39Å; S165-E194 PolarHBondContact OG-OE2 3.02Å; E190-E194 WeakPolarHBondContact O-CB 3.22Å; E190-E194 PolarHBondContact O-N 2.93Å; I191-E194 PolarHBondContact O-N 3.34Å; I192-E194 VanDerWaalsContact C-N 3.3Å; I192-E194 PolarHBondContact O-N 3.3Å; E194-K196 VanDerWaalsContact C-N 3.26Å; E194-K196 PolarHBondContact O-N 2.76Å; E194-K197 CarbonylContact O-C 3.59Å; E194-K197 PolarHBondContact O-N 3.49Å; E194-V198 PolarHBondContact O-N 2.81Å
195G98.5Very high97.5Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-61.6-30.1178.700000114I191 I192 K197 V198I191-G195 PolarHBondContact O-N 2.71Å; I192-G195 PolarHBondContact O-N 2.99Å; G195-K197 VanDerWaalsContact C-N 3.28Å; G195-K197 PolarHBondContact O-N 2.74Å; G195-V198 WeakPolarHBondContact O-CG2 3.32Å
196K98.4Very high97.1Very high61 Ų6139.7 Ų39.727%0.26519%0.191SC..Hα-helixtrans-71-21.2172.8-67179.7-171.4168.90113.8I192 E193 E194 I260 D264I192-K196 HydrophobicContact CG2-CD 4.49Å; I192-K196 WeakPolarHBondContact O-CG 3.4Å; I192-K196 PolarHBondContact O-N 3.04Å; E193-K196 WeakPolarHBondContact OE1-CD 3.43Å; E193-K196 WeakPolarHBondContact OE1-CE 3.19Å; E193-K196 IonicContact OE1-NZ 3.89Å; E193-K196 PolarHBondContact OE1-NZ 2.74Å; E194-K196 VanDerWaalsContact C-N 3.26Å; E194-K196 PolarHBondContact O-N 2.76Å; K196-I260 HydrophobicContact CG-CD1 4.17Å; K196-D264 HydrophobicContact CD-CB 4.35Å; K196-D264 WeakPolarHBondContact CE-OD2 3.46Å; K196-D264 HydrophobicContact CG-CB 3.92Å; K196-D264 IonicContact NZ-OD2 3.68Å
197K98.4Very high96.5Very high123 Ų12334.5 Ų34.554%0.53517%0.167SC..THydrogen-bonded Turntrans-111.516.7-172.5-65.4173.8-172.6166.70112.6K107 E193 E194 G195K107-K197 VanDerWaalsContact CD-O 3.29Å; K107-K197 WeakPolarHBondContact CD-O 3.37Å; E193-K197 WeakPolarHBondContact O-CD 3.37Å; E193-K197 WeakPolarHBondContact O-CG 3.44Å; E193-K197 PolarHBondContact O-N 3.27Å; E194-K197 CarbonylContact O-C 3.59Å; E194-K197 PolarHBondContact O-N 3.49Å; G195-K197 VanDerWaalsContact C-N 3.28Å; G195-K197 PolarHBondContact O-N 2.74Å
198V98.9Very high95.6Very high2 Ų230.6 Ų30.61%0.01215%0.147CC..  trans-67.7151.5171.7-58.80000109.9K107 L136 E194 G195 A201 I268 P269K107-V198 HydrophobicContact CB-CB 4.24Å; K107-V198 HydrophobicContact CB-CG1 4.37Å; L136-V198 HydrophobicContact CD2-CG1 4.48Å; E194-V198 PolarHBondContact O-N 2.81Å; G195-V198 WeakPolarHBondContact O-CG2 3.32Å; V198-A201 HydrophobicContact CG2-CB 4.13Å; V198-I268 HydrophobicContact CG2-CD1 3.72Å; V198-I268 HydrophobicContact CG2-CG1 4.16Å; V198-I268 HydrophobicContact CG2-CG2 3.86Å; V198-P269 WeakPolarHBondContact O-CD 3.39Å
199D98.8Very high94.5Very high48 Ų4833.5 Ų33.526%0.25716%0.162SC..SBendtrans-82.2-35.8178.9-55.4-47.5000110.4I105 H106 K107 Q270I105-D199 HydrophobicContact CB-CB 3.72Å; I105-D199 HydrophobicContact CD1-CB 4.34Å; I105-D199 HydrophobicContact CG2-CB 3.86Å; H106-D199 PolarHBondContact N-OD2 3.07Å; K107-D199 PolarHBondContact N-OD2 3.27Å; K107-D199 PolarHBondContact O-N 3.08Å; D199-Q270 PolarHBondContact O-N 3.33Å; D199-Q270 VanDerWaalsContact O-N 3.11Å
200L98.8Very high93.1Very high0 Ų037.2 Ų37.20%017%0.174CC..EExtended strand (participates in β ladder)trans-135.9131.4179.1-169.6166000109.4M101 I105 K107 L108 G109 I202 Q270 V272M101-L200 HydrophobicContact CB-CD1 4.22Å; M101-L200 HydrophobicContact SD-CD1 4.3Å; I105-L200 HydrophobicContact CD1-CB 3.51Å; I105-L200 HydrophobicContact CD1-CD1 4.15Å; I105-L200 HydrophobicContact CD1-CG 4.46Å; K107-L200 PolarHBondContact O-N 3.37Å; L108-L200 CarbonylContact C-O 3.6Å; L108-L200 WeakPolarHBondContact CA-O 3.41Å; L108-L200 HydrophobicContact CD1-CB 4.46Å; L108-L200 HydrophobicContact CD1-CD2 3.67Å; G109-L200 PolarHBondContact N-O 3.3Å; L200-I202 HydrophobicContact CD2-CD1 4.07Å; L200-I202 HydrophobicContact CD2-CG1 3.4Å; L200-Q270 CarbonylContact C-O 3.58Å; L200-Q270 VanDerWaalsContact CA-O 3.27Å; L200-Q270 WeakPolarHBondContact CA-O 3.47Å; L200-Q270 HydrophobicContact CB-CB 4.08Å; L200-Q270 HydrophobicContact CD1-CB 4.45Å; L200-Q270 HydrophobicContact CG-CB 3.89Å; L200-V272 HydrophobicContact CD1-CG2 4.48Å; L200-V272 HydrophobicContact CD2-CG2 3.73Å; L200-V272 HydrophobicContact CG-CG2 4.21Å
201A98.9Very high91.4Very high0 Ų031.3 Ų31.30%015%0.147CC..EExtended strand (participates in β ladder)trans-115.1131.7171.200000111.9G109 L136 V198 L203 I268 Q270 V272G109-A201 CarbonylContact O-C 3.52Å; G109-A201 WeakPolarHBondContact O-CA 3.3Å; L136-A201 HydrophobicContact CD1-CB 3.8Å; V198-A201 HydrophobicContact CG2-CB 4.13Å; A201-L203 HydrophobicContact CB-CD1 4.04Å; A201-I268 HydrophobicContact CB-CD1 3.62Å; A201-I268 HydrophobicContact CB-CG2 4.06Å; A201-Q270 PolarHBondContact N-O 2.73Å; A201-V272 PolarHBondContact O-N 2.86Å
202I98.7Very high89.4Confident0 Ų033 Ų330%016%0.16CC..EExtended strand (participates in β ladder)trans-109.6116.4174.2-49.9176.5000108.6I98 L108 G109 G111 L116 Y119 L200 V272 V274I98-I202 HydrophobicContact CB-CD1 4.32Å; I98-I202 HydrophobicContact CD1-CD1 3.47Å; I98-I202 VanDerWaalsContact CD1-CD1 3.47Å; I98-I202 HydrophobicContact CG1-CD1 4.09Å; I98-I202 HydrophobicContact CG2-CD1 4.09Å; L108-I202 HydrophobicContact CD1-CD1 3.85Å; L108-I202 HydrophobicContact CD1-CG1 3.96Å; G109-I202 PolarHBondContact O-N 3.32Å; G111-I202 PolarHBondContact N-O 3.03Å; L116-I202 HydrophobicContact CD2-CG2 3.71Å; Y119-I202 HydrophobicContact CE1-CD1 3.9Å; L200-I202 HydrophobicContact CD2-CD1 4.07Å; L200-I202 HydrophobicContact CD2-CG1 3.4Å; I202-V272 WeakPolarHBondContact CA-O 3.43Å; I202-V272 HydrophobicContact CG1-CB 4.24Å; I202-V272 HydrophobicContact CG1-CG2 4.38Å; I202-V272 HydrophobicContact CG2-CB 4.4Å; I202-V274 HydrophobicContact CG2-CG2 3.8Å
203L98.4Very high88Confident1 Ų133.3 Ų33.31%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-129.1136.9-170.6-70.7151.1000110.7L136 A201 I237 I265 V271 V272 I273 V274L136-L203 HydrophobicContact CD1-CD1 4.42Å; L136-L203 HydrophobicContact CD1-CD2 3.79Å; L136-L203 HydrophobicContact CD1-CG 4.1Å; A201-L203 HydrophobicContact CB-CD1 4.04Å; L203-I237 HydrophobicContact CB-CD1 4.3Å; L203-I237 HydrophobicContact CB-CG1 4.17Å; L203-I237 HydrophobicContact CD1-CD1 4.12Å; L203-I237 HydrophobicContact CD1-CG1 4.26Å; L203-I237 HydrophobicContact CD2-CG1 4.45Å; L203-I265 HydrophobicContact CD1-CD1 3.86Å; L203-I265 HydrophobicContact CD1-CG1 4.14Å; L203-I265 HydrophobicContact CD1-CG2 3.6Å; L203-I265 HydrophobicContact CD2-CD1 4.42Å; L203-V271 HydrophobicContact CD1-CG1 4.26Å; L203-V272 PolarHBondContact N-O 3.31Å; L203-I273 HydrophobicContact CB-CD1 4Å; L203-I273 WeakPolarHBondContact O-CA 3.26Å; L203-V274 PolarHBondContact O-N 3.02Å
204G95Very high86.9Confident15 Ų1529.6 Ų29.616%0.15515%0.145CC..EExtended strand (participates in β ladder)trans-78.5151.1164.400000110.3V274G204-V274 WeakPolarHBondContact CA-O 3.14Å
205V93.4Very high85.5Confident3 Ų334.9 Ų34.92%0.01817%0.168CC..  trans-114144165.6178.70000108.4I273 K280 V284 L287V205-I273 HydrophobicContact CB-CG2 4.44Å; V205-I273 HydrophobicContact CG2-CD1 4.06Å; V205-I273 HydrophobicContact CG2-CG2 3.58Å; V205-K280 VanDerWaalsContact O-CD 3.3Å; V205-K280 WeakPolarHBondContact O-CD 3.29Å; V205-K280 WeakPolarHBondContact O-CE 3.39Å; V205-K280 PolarHBondContact O-NZ 2.96Å; V205-V284 HydrophobicContact CB-CG2 4.46Å; V205-V284 HydrophobicContact CG1-CG2 4.39Å; V205-L287 HydrophobicContact CB-CD1 4.49Å; V205-L287 HydrophobicContact CG1-CD1 4.09Å; V205-L287 HydrophobicContact CG2-CD1 3.5Å; V205-L287 VanDerWaalsContact CG2-CD1 3.5Å
206S87.5Confident84.1Confident12 Ų1242.3 Ų42.38%0.08420%0.2CC..BIsolated β-bridgetrans-137.2161.7178.4154.80000110S211 G235 D236S206-S211 WeakPolarHBondContact OG-CB 3.27Å; S206-S211 PolarHBondContact OG-OG 2.95Å; S206-G235 CarbonylContact O-C 3.06Å; S206-G235 WeakPolarHBondContact O-CA 3.5Å; S206-D236 WeakPolarHBondContact CB-OD2 3.5Å; S206-D236 PolarHBondContact N-O 3.06Å; S206-D236 PolarHBondContact O-N 3.11Å; S206-D236 PolarHBondContact OG-OD2 3.27Å
207D84.5Confident82.8Confident4 Ų440.8 Ų40.82%0.02120%0.195CC..  trans-105.8102.2170172.3-27.7000107.3I209 R210 S211D207-I209 PolarHBondContact O-N 3.22Å; D207-I209 WeakPolarHBondContact OD1-CA 3.27Å; D207-I209 WeakPolarHBondContact OD1-CB 3.38Å; D207-I209 PolarHBondContact OD1-N 3.43Å; D207-R210 HydrophobicContact CB-CB 4.44Å; D207-R210 PolarHBondContact O-N 3.42Å; D207-R210 PolarHBondContact OD1-N 3.12Å; D207-R210 VanDerWaalsContact OD2-CB 3.25Å; D207-R210 WeakPolarHBondContact OD2-CB 3.44Å; D207-R210 VanDerWaalsContact OD2-CD 3.22Å; D207-R210 WeakPolarHBondContact OD2-CD 3.39Å; D207-R210 WeakPolarHBondContact OD2-CG 3.29Å; D207-R210 IonicContact OD2-NE 2.88Å; D207-S211 WeakPolarHBondContact O-CA 3.35Å; D207-S211 WeakPolarHBondContact O-CB 3.34Å; D207-S211 PolarHBondContact O-N 2.89Å
208P76Confident81.5Confident5 Ų543.6 Ų43.63%0.03221%0.207CC..THydrogen-bonded Turntrans-67.9-8.9-170.230.5-37.9000114.1Y214 L228 A233 G235 I241P208-Y214 HydrophobicContact CB-CD2 4.09Å; P208-Y214 HydrophobicContact CB-CE2 4.2Å; P208-L228 HydrophobicContact CB-CD1 3.69Å; P208-L228 HydrophobicContact CG-CD1 4.1Å; P208-A233 HydrophobicContact CG-CB 4.27Å; P208-G235 VanDerWaalsContact CD-CA 3.42Å; P208-I241 HydrophobicContact CG-CG2 4.15Å
209I72.3Confident80.5Confident63 Ų6344.9 Ų44.932%0.32321%0.212SC..THydrogen-bonded Turntrans-92.5-53.8175.9-56.8177.1000111.2D207 L228 K229 A233D207-I209 PolarHBondContact O-N 3.22Å; D207-I209 WeakPolarHBondContact OD1-CA 3.27Å; D207-I209 WeakPolarHBondContact OD1-CB 3.38Å; D207-I209 PolarHBondContact OD1-N 3.43Å; I209-L228 HydrophobicContact CG1-CB 4.16Å; I209-K229 HydrophobicContact CD1-CB 4.14Å; I209-K229 HydrophobicContact CD1-CG 4.44Å; I209-K229 HydrophobicContact CG2-CB 4.47Å; I209-A233 WeakPolarHBondContact CD1-O 3.44Å
210R68.5Low79.6Confident163 Ų16343.6 Ų43.662%0.61521%0.205SC*.THydrogen-bonded Turntrans-91.5-29.2-175.6-53.7-179.5-179.5147.7-0.2112.1D207 S212 E279D207-R210 HydrophobicContact CB-CB 4.44Å; D207-R210 PolarHBondContact O-N 3.42Å; D207-R210 PolarHBondContact OD1-N 3.12Å; D207-R210 VanDerWaalsContact OD2-CB 3.25Å; D207-R210 WeakPolarHBondContact OD2-CB 3.44Å; D207-R210 VanDerWaalsContact OD2-CD 3.22Å; D207-R210 WeakPolarHBondContact OD2-CD 3.39Å; D207-R210 WeakPolarHBondContact OD2-CG 3.29Å; D207-R210 IonicContact OD2-NE 2.88Å; R210-S212 PolarHBondContact O-N 2.61Å; R210-E279 HydrophobicContact CB-CB 4.41Å
211S62.5Low79Confident7 Ų746.1 Ų46.15%0.04922%0.222CC..  trans-66.1126.3174.9-174.70000109.5S206 D207 T213S206-S211 WeakPolarHBondContact OG-CB 3.27Å; S206-S211 PolarHBondContact OG-OG 2.95Å; D207-S211 WeakPolarHBondContact O-CA 3.35Å; D207-S211 WeakPolarHBondContact O-CB 3.34Å; D207-S211 PolarHBondContact O-N 2.89Å; S211-T213 PolarHBondContact O-N 2.93Å
212S55.8Low78.4Confident46 Ų4654 Ų5432%0.32226%0.259SS..Hα-helixtrans-71.8-10.9-174.968.40000114R210 K216R210-S212 PolarHBondContact O-N 2.61Å; S212-K216 VanDerWaalsContact CB-NZ 3.32Å; S212-K216 WeakPolarHBondContact O-CA 3.49Å; S212-K216 WeakPolarHBondContact O-CB 3.49Å; S212-K216 WeakPolarHBondContact O-CG 3.37Å; S212-K216 PolarHBondContact O-N 2.92Å; S212-K216 WeakPolarHBondContact OG-CD 3.22Å; S212-K216 VanDerWaalsContact OG-CE 3.27Å; S212-K216 WeakPolarHBondContact OG-CE 3.37Å; S212-K216 PolarHBondContact OG-NZ 3.11Å
213T68.3Low77.9Confident26 Ų2661.8 Ų61.816%0.1630%0.295CS..Hα-helixtrans-65.2-57.8-170.3-51.10000112.5W112 S211 K215 L217W112-T213 HydrophobicContact CH2-CG2 4.08Å; W112-T213 HydrophobicContact CZ3-CG2 3.92Å; S211-T213 PolarHBondContact O-N 2.93Å; T213-K215 VanDerWaalsContact C-N 3.29Å; T213-K215 PolarHBondContact O-N 2.86Å; T213-L217 HydrophobicContact CG2-CD1 3.55Å; T213-L217 HydrophobicContact CG2-CG 4.41Å; T213-L217 WeakPolarHBondContact O-CB 3.35Å; T213-L217 WeakPolarHBondContact O-CG 3.41Å; T213-L217 PolarHBondContact O-N 3.24Å
214Y74.2Confident77.4Confident1 Ų163.5 Ų63.50%0.00430%0.303CS..Hα-helixtrans-56.9-43.5179-77.8-80.4000112.1W112 I140 I172 P208 K218 Y219 I220 F253W112-Y214 HydrophobicContact CH2-CE1 4.43Å; W112-Y214 HydrophobicContact CH2-CE2 4.35Å; W112-Y214 HydrophobicContact CZ2-CE1 4.49Å; W112-Y214 HydrophobicContact CZ2-CE2 4.17Å; W112-Y214 AromaticContact CZ2-CZ 3.85Å; I140-Y214 HydrophobicContact CD1-CD1 4.41Å; I140-Y214 HydrophobicContact CD1-CE1 3.95Å; I172-Y214 HydrophobicContact CD1-CE1 4.21Å; P208-Y214 HydrophobicContact CB-CD2 4.09Å; P208-Y214 HydrophobicContact CB-CE2 4.2Å; Y214-K218 PolarHBondContact O-N 3.4Å; Y214-K218 VanDerWaalsContact O-N 3.16Å; Y214-Y219 HydrophobicContact CD1-CD2 4.3Å; Y214-Y219 PolarHBondContact O-N 3.11Å; Y214-I220 HydrophobicContact CD1-CG2 4Å; Y214-F253 HydrophobicContact CD1-CE2 4.39Å; Y214-F253 HydrophobicContact CD1-CZ 4.45Å; Y214-F253 AromaticContact CE1-CE2 3.91Å; Y214-F253 HydrophobicContact CE1-CE2 3.91Å; Y214-F253 HydrophobicContact CE1-CZ 4.29Å
215K69.8Low77Confident152 Ų15264.3 Ų64.366%0.66131%0.309SS*.Hα-helixtrans-74.4-48.2-178.4-170.9174.5-178.9174.60113.5T213 L217 K218T213-K215 VanDerWaalsContact C-N 3.29Å; T213-K215 PolarHBondContact O-N 2.86Å; K215-L217 VanDerWaalsContact C-N 3.26Å; K215-L217 PolarHBondContact O-N 2.77Å; K215-K218 PolarHBondContact O-N 3.34Å; K215-K218 VanDerWaalsContact O-N 3.15Å
216K69.5Low76.8Confident156 Ų15667 Ų6768%0.67833%0.331SS*.Hα-helixtrans-62.1-36.9179.1-75.9175.4175.8159.20111.1S212 K218S212-K216 VanDerWaalsContact CB-NZ 3.32Å; S212-K216 WeakPolarHBondContact O-CA 3.49Å; S212-K216 WeakPolarHBondContact O-CB 3.49Å; S212-K216 WeakPolarHBondContact O-CG 3.37Å; S212-K216 PolarHBondContact O-N 2.92Å; S212-K216 WeakPolarHBondContact OG-CD 3.22Å; S212-K216 VanDerWaalsContact OG-CE 3.27Å; S212-K216 WeakPolarHBondContact OG-CE 3.37Å; S212-K216 PolarHBondContact OG-NZ 3.11Å; K216-K218 VanDerWaalsContact C-N 3.29Å
217L69.9Low76.9Confident30 Ų3068.9 Ų68.916%0.15734%0.34CS..THydrogen-bonded Turntrans-89.10.3-178.7-53.4179.2000112.6E144 T213 K215 Y219E144-L217 HydrophobicContact CB-CD1 4.23Å; E144-L217 HydrophobicContact CB-CD2 4.01Å; E144-L217 HydrophobicContact CG-CD2 3.48Å; E144-L217 VanDerWaalsContact CG-CD2 3.48Å; T213-L217 HydrophobicContact CG2-CD1 3.55Å; T213-L217 HydrophobicContact CG2-CG 4.41Å; T213-L217 WeakPolarHBondContact O-CB 3.35Å; T213-L217 WeakPolarHBondContact O-CG 3.41Å; T213-L217 PolarHBondContact O-N 3.24Å; K215-L217 VanDerWaalsContact C-N 3.26Å; K215-L217 PolarHBondContact O-N 2.77Å; L217-Y219 HydrophobicContact CB-CD1 3.9Å; L217-Y219 HydrophobicContact CB-CD2 3.73Å; L217-Y219 HydrophobicContact CB-CE1 3.57Å; L217-Y219 HydrophobicContact CB-CE2 3.4Å; L217-Y219 VanDerWaalsContact CB-CE2 3.4Å; L217-Y219 HydrophobicContact CB-CG 3.99Å; L217-Y219 HydrophobicContact CD1-CD2 4.33Å; L217-Y219 HydrophobicContact CD1-CE2 3.37Å; L217-Y219 VanDerWaalsContact CD1-OH 3.28Å; L217-Y219 WeakPolarHBondContact CD1-OH 3.39Å; L217-Y219 HydrophobicContact CG-CE2 3.96Å; L217-Y219 WeakPolarHBondContact O-CD1 3.18Å; L217-Y219 PolarHBondContact O-N 3.19Å
218K72.7Confident77.2Confident182 Ų18268.8 Ų68.879%0.79134%0.339SS*.THydrogen-bonded Turntrans54.737178.7-56.9-179.2177.7-178.50112.9Y214 K215 K216 I220Y214-K218 PolarHBondContact O-N 3.4Å; Y214-K218 VanDerWaalsContact O-N 3.16Å; K215-K218 PolarHBondContact O-N 3.34Å; K215-K218 VanDerWaalsContact O-N 3.15Å; K216-K218 VanDerWaalsContact C-N 3.29Å; K218-I220 VanDerWaalsContact C-N 3.28Å
219Y77.6Confident77.9Confident29 Ų2975.5 Ų75.511%0.11437%0.368CS..  trans-76.4-18.6179.5-62.5-31000113.2W112 I140 S143 Y214 L217W112-Y219 HydrophobicContact CH2-CE2 4.44Å; W112-Y219 HydrophobicContact CZ3-CE2 4.11Å; I140-Y219 HydrophobicContact CB-CE2 4.13Å; I140-Y219 HydrophobicContact CD1-CD1 4.46Å; I140-Y219 HydrophobicContact CD1-CD2 3.17Å; I140-Y219 HydrophobicContact CD1-CE2 3.48Å; I140-Y219 VanDerWaalsContact CD1-CE2 3.48Å; I140-Y219 HydrophobicContact CD1-CG 3.72Å; I140-Y219 HydrophobicContact CG1-CD1 3.88Å; I140-Y219 HydrophobicContact CG1-CD2 3.46Å; I140-Y219 VanDerWaalsContact CG1-CD2 3.46Å; I140-Y219 HydrophobicContact CG1-CE1 3.94Å; I140-Y219 HydrophobicContact CG1-CE2 3.5Å; I140-Y219 VanDerWaalsContact CG1-CE2 3.5Å; I140-Y219 HydrophobicContact CG1-CG 3.64Å; I140-Y219 HydrophobicContact CG2-CD2 4.48Å; I140-Y219 HydrophobicContact CG2-CE1 4.48Å; I140-Y219 HydrophobicContact CG2-CE2 3.65Å; I140-Y219 WeakPolarHBondContact O-CE1 3.39Å; I140-Y219 PolarHBondContact O-OH 2.87Å; I140-Y219 VanDerWaalsContact O-OH 3.09Å; S143-Y219 PolarHBondContact O-OH 2.86Å; S143-Y219 VanDerWaalsContact O-OH 3.11Å; Y214-Y219 HydrophobicContact CD1-CD2 4.3Å; Y214-Y219 PolarHBondContact O-N 3.11Å; L217-Y219 HydrophobicContact CB-CD1 3.9Å; L217-Y219 HydrophobicContact CB-CD2 3.73Å; L217-Y219 HydrophobicContact CB-CE1 3.57Å; L217-Y219 HydrophobicContact CB-CE2 3.4Å; L217-Y219 VanDerWaalsContact CB-CE2 3.4Å; L217-Y219 HydrophobicContact CB-CG 3.99Å; L217-Y219 HydrophobicContact CD1-CD2 4.33Å; L217-Y219 HydrophobicContact CD1-CE2 3.37Å; L217-Y219 VanDerWaalsContact CD1-OH 3.28Å; L217-Y219 WeakPolarHBondContact CD1-OH 3.39Å; L217-Y219 HydrophobicContact CG-CE2 3.96Å; L217-Y219 WeakPolarHBondContact O-CD1 3.18Å; L217-Y219 PolarHBondContact O-N 3.19Å
220I80.6Confident78.8Confident21 Ų2175.9 Ų75.911%0.10838%0.376CS..SBendtrans-133.9153.2178.265.7176.6000110.6I172 Y214 K218 E224 A225 L228 F253I172-I220 HydrophobicContact CD1-CG2 4.49Å; Y214-I220 HydrophobicContact CD1-CG2 4Å; K218-I220 VanDerWaalsContact C-N 3.28Å; I220-E224 VanDerWaalsContact CA-OE2 3.22Å; I220-E224 WeakPolarHBondContact CA-OE2 3.13Å; I220-E224 HydrophobicContact CB-CB 3.98Å; I220-E224 WeakPolarHBondContact CB-OE2 3.45Å; I220-A225 HydrophobicContact CD1-CB 4.07Å; I220-L228 HydrophobicContact CD1-CD1 4.2Å; I220-F253 HydrophobicContact CB-CE1 4.45Å; I220-F253 HydrophobicContact CD1-CE1 4.06Å; I220-F253 HydrophobicContact CD1-CZ 4.33Å; I220-F253 HydrophobicContact CG2-CD1 3.86Å; I220-F253 HydrophobicContact CG2-CD2 3.96Å; I220-F253 HydrophobicContact CG2-CE1 3.7Å; I220-F253 HydrophobicContact CG2-CE2 3.82Å; I220-F253 HydrophobicContact CG2-CG 3.97Å; I220-F253 HydrophobicContact CG2-CZ 3.68Å
221S85.3Confident80Confident52 Ų5270.5 Ų70.536%0.36436%0.358SS..  trans-74.8166.3175.378.20000112.2E223 E224 A225S221-E223 VanDerWaalsContact C-N 3.25Å; S221-E223 PolarHBondContact O-N 2.9Å; S221-E223 PolarHBondContact OG-N 3.21Å; S221-E224 PolarHBondContact N-OE2 3.11Å; S221-E224 PolarHBondContact O-N 2.87Å; S221-E224 WeakPolarHBondContact OG-CG 3.4Å; S221-E224 PolarHBondContact OG-N 2.6Å; S221-E224 VanDerWaalsContact OG-N 3.13Å; S221-A225 PolarHBondContact O-N 2.88Å
222E85.2Confident81.4Confident167 Ų16776.9 Ų76.978%0.7839%0.387SS*.Hα-helixtrans-63-34.4173.1-65.3-168.9160.200112.2A225 A226E222-A225 PolarHBondContact O-N 3.1Å; E222-A226 WeakPolarHBondContact O-CB 3.39Å; E222-A226 PolarHBondContact O-N 3Å
223E89.1Confident83.1Confident163 Ų16374.8 Ų74.876%0.76237%0.372SS*.Hα-helixtrans-64.6-41.2175.4-62.8178.7174.800111.4S221 A226 L227S221-E223 VanDerWaalsContact C-N 3.25Å; S221-E223 PolarHBondContact O-N 2.9Å; S221-E223 PolarHBondContact OG-N 3.21Å; E223-A226 PolarHBondContact O-N 2.92Å; E223-L227 PolarHBondContact O-N 3.07Å
224E88.9Confident84.3Confident37 Ų3774.3 Ų74.317%0.17337%0.368CS..Hα-helixtrans-67.5-40.5176.7-72.5175.214600112I220 S221 A226 L227 L228 F253 R256I220-E224 VanDerWaalsContact CA-OE2 3.22Å; I220-E224 WeakPolarHBondContact CA-OE2 3.13Å; I220-E224 HydrophobicContact CB-CB 3.98Å; I220-E224 WeakPolarHBondContact CB-OE2 3.45Å; S221-E224 PolarHBondContact N-OE2 3.11Å; S221-E224 PolarHBondContact O-N 2.87Å; S221-E224 WeakPolarHBondContact OG-CG 3.4Å; S221-E224 PolarHBondContact OG-N 2.6Å; S221-E224 VanDerWaalsContact OG-N 3.13Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-L227 PolarHBondContact O-N 3.36Å; E224-L228 WeakPolarHBondContact O-CG 3.38Å; E224-L228 PolarHBondContact O-N 3.29Å; E224-F253 HydrophobicContact CB-CD1 4.07Å; E224-F253 HydrophobicContact CG-CD1 4.42Å; E224-F253 WeakPolarHBondContact OE1-CB 3.26Å; E224-R256 IonicContact OE1-CZ 3.96Å; E224-R256 IonicContact OE1-NH2 2.73Å; E224-R256 PolarHBondContact OE1-NH2 3.09Å; E224-R256 IonicContact OE2-NH2 2.87Å
225A86.2Confident85.3Confident32 Ų3274.2 Ų74.226%0.26437%0.368SS..Hα-helixtrans-63.8-39.3173.600000111.8I220 S221 E222 L228 K229I220-A225 HydrophobicContact CD1-CB 4.07Å; S221-A225 PolarHBondContact O-N 2.88Å; E222-A225 PolarHBondContact O-N 3.1Å; A225-L228 PolarHBondContact O-N 3.24Å; A225-K229 PolarHBondContact O-N 3.45Å
226A88.9Confident86.4Confident59 Ų5967.2 Ų67.249%0.48834%0.338SS..Hα-helixtrans-64.4-40.8175.200000111.7E222 E223 E224 K229 S230E222-A226 WeakPolarHBondContact O-CB 3.39Å; E222-A226 PolarHBondContact O-N 3Å; E223-A226 PolarHBondContact O-N 2.92Å; E224-A226 VanDerWaalsContact C-N 3.33Å; A226-K229 WeakPolarHBondContact O-CB 3.47Å; A226-K229 PolarHBondContact O-N 3.1Å; A226-S230 PolarHBondContact O-N 3.49Å; A226-S230 PolarHBondContact O-OG 3.24Å
227L90.2Very high87.6Confident52 Ų5259.8 Ų59.827%0.27231%0.306SS..Hα-helixtrans-62.1-46175.4179.566.5000111.9E223 E224 K229 S230 E231 K251E223-L227 PolarHBondContact O-N 3.07Å; E224-L227 PolarHBondContact O-N 3.36Å; L227-K229 PolarHBondContact O-N 2.97Å; L227-S230 WeakPolarHBondContact CA-OG 3.47Å; L227-S230 PolarHBondContact O-N 2.85Å; L227-S230 PolarHBondContact O-OG 2.85Å; L227-E231 HydrophobicContact CD1-CG 3.97Å; L227-E231 HydrophobicContact CG-CG 4.32Å; L227-E231 WeakPolarHBondContact O-CB 3.36Å; L227-E231 VanDerWaalsContact O-CG 3.24Å; L227-E231 WeakPolarHBondContact O-CG 3.32Å; L227-E231 PolarHBondContact O-N 3.32Å; L227-K251 HydrophobicContact CD2-CB 4.4Å
228L90.5Very high88.8Confident2 Ų258.5 Ų58.51%0.0130%0.3CS..Hα-helixtrans-56.6-41.1175.7-72.9-174.2000112.1P208 I209 I220 E224 A225 E231 H232 A233 I241 L249 F253P208-L228 HydrophobicContact CB-CD1 3.69Å; P208-L228 HydrophobicContact CG-CD1 4.1Å; I209-L228 HydrophobicContact CG1-CB 4.16Å; I220-L228 HydrophobicContact CD1-CD1 4.2Å; E224-L228 WeakPolarHBondContact O-CG 3.38Å; E224-L228 PolarHBondContact O-N 3.29Å; A225-L228 PolarHBondContact O-N 3.24Å; L228-E231 CarbonylContact O-C 3.56Å; L228-E231 PolarHBondContact O-N 3.38Å; L228-H232 PolarHBondContact O-N 2.88Å; L228-A233 HydrophobicContact CB-CB 4.17Å; L228-A233 HydrophobicContact CD2-CB 4.08Å; L228-A233 WeakPolarHBondContact O-CB 3.42Å; L228-A233 PolarHBondContact O-N 3.47Å; L228-I241 HydrophobicContact CD1-CD1 4.5Å; L228-I241 HydrophobicContact CD2-CD1 3.91Å; L228-I241 HydrophobicContact CD2-CG2 4.06Å; L228-L249 HydrophobicContact CD2-CD2 3.59Å; L228-F253 HydrophobicContact CD1-CE1 3.54Å; L228-F253 HydrophobicContact CD1-CZ 3.88Å; L228-F253 HydrophobicContact CD2-CE1 3.87Å; L228-F253 HydrophobicContact CD2-CZ 4.45Å; L228-F253 HydrophobicContact CG-CE1 3.77Å; L228-F253 HydrophobicContact CG-CZ 4.49Å
229K89.4Confident89.8Confident145 Ų14550.1 Ų50.163%0.6326%0.264SS*.Hα-helixtrans-66-43.7177.4-171.5-179.8178.1-175.70112.4I209 A225 A226 L227 E231 H232I209-K229 HydrophobicContact CD1-CB 4.14Å; I209-K229 HydrophobicContact CD1-CG 4.44Å; I209-K229 HydrophobicContact CG2-CB 4.47Å; A225-K229 PolarHBondContact O-N 3.45Å; A226-K229 WeakPolarHBondContact O-CB 3.47Å; A226-K229 PolarHBondContact O-N 3.1Å; L227-K229 PolarHBondContact O-N 2.97Å; K229-E231 PolarHBondContact O-N 3.17Å; K229-H232 PolarHBondContact O-N 2.89Å
230S92.4Very high90.7Very high71 Ų7149.3 Ų49.350%0.49726%0.262SS..Hα-helixtrans-66.9-28.9177.360.40000112.8A226 L227 H232A226-S230 PolarHBondContact O-N 3.49Å; A226-S230 PolarHBondContact O-OG 3.24Å; L227-S230 WeakPolarHBondContact CA-OG 3.47Å; L227-S230 PolarHBondContact O-N 2.85Å; L227-S230 PolarHBondContact O-OG 2.85Å; S230-H232 VanDerWaalsContact C-N 3.29Å; S230-H232 PolarHBondContact O-CE1 2.87Å; S230-H232 PolarHBondContact O-ND1 3.43Å
231E92.4Very high91.4Very high50 Ų5048.4 Ų48.423%0.23426%0.257CS..THydrogen-bonded Turntrans-88.57.4177.9-61.6-65.8150.300113.3L227 L228 K229 A233 T243 L249 K251L227-E231 HydrophobicContact CD1-CG 3.97Å; L227-E231 HydrophobicContact CG-CG 4.32Å; L227-E231 WeakPolarHBondContact O-CB 3.36Å; L227-E231 VanDerWaalsContact O-CG 3.24Å; L227-E231 WeakPolarHBondContact O-CG 3.32Å; L227-E231 PolarHBondContact O-N 3.32Å; L228-E231 CarbonylContact O-C 3.56Å; L228-E231 PolarHBondContact O-N 3.38Å; K229-E231 PolarHBondContact O-N 3.17Å; E231-A233 PolarHBondContact O-N 2.77Å; E231-T243 VanDerWaalsContact O-CG2 3.3Å; E231-T243 WeakPolarHBondContact O-CG2 3.16Å; E231-L249 HydrophobicContact CB-CD1 3.63Å; E231-L249 HydrophobicContact CB-CD2 3.98Å; E231-L249 HydrophobicContact CB-CG 4.48Å; E231-L249 HydrophobicContact CG-CD1 3.94Å; E231-L249 HydrophobicContact CG-CD2 4.49Å; E231-K251 VanDerWaalsContact CD-CD 3.41Å; E231-K251 HydrophobicContact CG-CD 4.07Å; E231-K251 WeakPolarHBondContact OE1-CD 3.22Å; E231-K251 IonicContact OE1-NZ 3.62Å; E231-K251 PolarHBondContact OE1-NZ 3.49Å; E231-K251 WeakPolarHBondContact OE2-CD 3.19Å; E231-K251 IonicContact OE2-NZ 3.91Å; E231-K251 PolarHBondContact OE2-NZ 2.88Å
232H92Very high91.9Very high141 Ų14145.9 Ų45.965%0.65324%0.24SC*.THydrogen-bonded Turntrans55.435.5177.5-51.884.8000113.6L228 K229 S230 I234L228-H232 PolarHBondContact O-N 2.88Å; K229-H232 PolarHBondContact O-N 2.89Å; S230-H232 VanDerWaalsContact C-N 3.29Å; S230-H232 PolarHBondContact O-CE1 2.87Å; S230-H232 PolarHBondContact O-ND1 3.43Å; H232-I234 PolarHBondContact O-N 3.19Å
233A92.9Very high92.3Very high2 Ų239 Ų392%0.01721%0.209CC..  trans-61.6127.9172.300000109.5P208 I209 L228 E231 I241 L249P208-A233 HydrophobicContact CG-CB 4.27Å; I209-A233 WeakPolarHBondContact CD1-O 3.44Å; L228-A233 HydrophobicContact CB-CB 4.17Å; L228-A233 HydrophobicContact CD2-CB 4.08Å; L228-A233 WeakPolarHBondContact O-CB 3.42Å; L228-A233 PolarHBondContact O-N 3.47Å; E231-A233 PolarHBondContact O-N 2.77Å; A233-I241 HydrophobicContact CB-CG2 3.68Å; A233-L249 HydrophobicContact CB-CD2 4.42Å
234I93.1Very high92.6Very high16 Ų1635.5 Ų35.58%0.08220%0.199CC..  trans-111.5-16.9179.163154.6000112.4H232 F242 V244 E282 S283 T286H232-I234 PolarHBondContact O-N 3.19Å; I234-F242 HydrophobicContact CD1-CD2 4.3Å; I234-F242 HydrophobicContact CD1-CE2 4.04Å; I234-F242 HydrophobicContact CG1-CD2 4Å; I234-F242 HydrophobicContact CG1-CE2 3.98Å; I234-F242 PolarHBondContact N-O 2.99Å; I234-V244 HydrophobicContact CD1-CB 4.26Å; I234-V244 HydrophobicContact CD1-CG2 4.48Å; I234-V244 HydrophobicContact CG2-CB 4.31Å; I234-E282 HydrophobicContact CD1-CG 3.98Å; I234-S283 PolarHBondContact O-OG 2.88Å; I234-T286 HydrophobicContact CD1-CG2 4.12Å; I234-T286 WeakPolarHBondContact CD1-OG1 3.43Å
235G94.1Very high92.8Very high0 Ų038.9 Ų38.90%022%0.218CC..EExtended strand (participates in β ladder)trans-165167.4-175.800000115.6S206 P208 I241 F242S206-G235 CarbonylContact O-C 3.06Å; S206-G235 WeakPolarHBondContact O-CA 3.5Å; P208-G235 VanDerWaalsContact CD-CA 3.42Å; G235-I241 CarbonylContact O-C 3.51Å; G235-I241 WeakPolarHBondContact O-CA 3.45Å; G235-F242 VanDerWaalsContact C-CE1 3.48Å; G235-F242 PolarHBondContact N-O 3.18Å; G235-F242 WeakPolarHBondContact O-CD1 3.24Å; G235-F242 PolarHBondContact O-N 3.49Å
236D93.7Very high93.2Very high4 Ų437.7 Ų37.72%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-134145.8170.96988.2000111.7S206 T240 I241S206-D236 WeakPolarHBondContact CB-OD2 3.5Å; S206-D236 PolarHBondContact N-O 3.06Å; S206-D236 PolarHBondContact O-N 3.11Å; S206-D236 PolarHBondContact OG-OD2 3.27Å; D236-T240 CarbonylContact C-O 3.53Å; D236-T240 VanDerWaalsContact CA-O 3.28Å; D236-T240 WeakPolarHBondContact CA-O 3.43Å; D236-I241 HydrophobicContact CB-CG1 4.1Å
237I95.6Very high93.5Very high0 Ų038.2 Ų38.20%021%0.206CC..EExtended strand (participates in β ladder)trans-150.5130174-174.1175.8000109.3L203 S239 T240 F242 L262 I265 I273 L287 F292L203-I237 HydrophobicContact CB-CD1 4.3Å; L203-I237 HydrophobicContact CB-CG1 4.17Å; L203-I237 HydrophobicContact CD1-CD1 4.12Å; L203-I237 HydrophobicContact CD1-CG1 4.26Å; L203-I237 HydrophobicContact CD2-CG1 4.45Å; I237-S239 PolarHBondContact O-N 3.37Å; I237-T240 PolarHBondContact N-O 2.83Å; I237-T240 PolarHBondContact O-N 2.79Å; I237-F242 HydrophobicContact CB-CE1 4.27Å; I237-F242 HydrophobicContact CG2-CD1 4.08Å; I237-F242 HydrophobicContact CG2-CE1 3.77Å; I237-L262 HydrophobicContact CG2-CB 4.39Å; I237-L262 HydrophobicContact CG2-CD1 3.98Å; I237-I265 HydrophobicContact CD1-CD1 4.27Å; I237-I265 HydrophobicContact CD1-CG2 4.43Å; I237-I265 HydrophobicContact CG1-CD1 3.96Å; I237-I273 HydrophobicContact CD1-CD1 3.61Å; I237-L287 HydrophobicContact CB-CD1 4.33Å; I237-L287 HydrophobicContact CD1-CD1 3.99Å; I237-L287 HydrophobicContact CG2-CD1 4.4Å; I237-L287 HydrophobicContact CG2-CD2 4.17Å; I237-F292 HydrophobicContact CD1-CZ 4.45Å
238G94.2Very high93.8Very high3 Ų338.7 Ų38.73%0.03121%0.212CC..THydrogen-bonded Turntrans55.7-125.6-172.900000110.7I137I137-G238 WeakPolarHBondContact CD1-O 3.47Å
239S94.2Very high94Very high7 Ų739.5 Ų39.55%0.04922%0.217CC..THydrogen-bonded Turntrans-96.915.7175.263.80000114I237 L257 G259 I260 E261I237-S239 PolarHBondContact O-N 3.37Å; S239-L257 WeakPolarHBondContact O-CB 3.34Å; S239-L257 VanDerWaalsContact O-CD1 3.27Å; S239-L257 WeakPolarHBondContact O-CD1 3.29Å; S239-G259 PolarHBondContact OG-O 2.99Å; S239-I260 PolarHBondContact N-O 3.41Å; S239-I260 PolarHBondContact OG-O 3.32Å; S239-I260 VanDerWaalsContact OG-O 3.04Å; S239-E261 WeakPolarHBondContact OG-CG 3.21Å; S239-E261 PolarHBondContact OG-N 3.05Å
240T95.8Very high94.1Very high11 Ų1140.3 Ų40.37%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-116.5124.5-175.7-59.80000112.4D236 I237 P248 E261 L262D236-T240 CarbonylContact C-O 3.53Å; D236-T240 VanDerWaalsContact CA-O 3.28Å; D236-T240 WeakPolarHBondContact CA-O 3.43Å; I237-T240 PolarHBondContact N-O 2.83Å; I237-T240 PolarHBondContact O-N 2.79Å; T240-P248 HydrophobicContact CG2-CB 3.82Å; T240-P248 HydrophobicContact CG2-CG 4.05Å; T240-E261 WeakPolarHBondContact OG1-CA 3.2Å; T240-L262 HydrophobicContact CG2-CB 3.74Å; T240-L262 HydrophobicContact CG2-CD2 4.33Å; T240-L262 PolarHBondContact OG1-N 2.81Å
241I94.7Very high94Very high2 Ų241.5 Ų41.51%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-92.8137.4164.3-63.4177.8000108.2P208 L228 A233 G235 D236 P248 L249 F253 L257P208-I241 HydrophobicContact CG-CG2 4.15Å; L228-I241 HydrophobicContact CD1-CD1 4.5Å; L228-I241 HydrophobicContact CD2-CD1 3.91Å; L228-I241 HydrophobicContact CD2-CG2 4.06Å; A233-I241 HydrophobicContact CB-CG2 3.68Å; G235-I241 CarbonylContact O-C 3.51Å; G235-I241 WeakPolarHBondContact O-CA 3.45Å; D236-I241 HydrophobicContact CB-CG1 4.1Å; I241-P248 CarbonylContact O-C 3.54Å; I241-P248 WeakPolarHBondContact O-CA 3.24Å; I241-L249 HydrophobicContact CB-CB 4.38Å; I241-L249 HydrophobicContact CG2-CB 4.15Å; I241-L249 HydrophobicContact CG2-CD2 4.18Å; I241-L249 PolarHBondContact O-N 2.85Å; I241-F253 HydrophobicContact CD1-CE1 3.95Å; I241-F253 HydrophobicContact CD1-CE2 3.6Å; I241-F253 HydrophobicContact CD1-CZ 3.26Å; I241-L257 HydrophobicContact CD1-CD1 4.07Å; I241-L257 HydrophobicContact CG1-CD1 3.94Å
242F95.8Very high93.7Very high0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-136.6156.1-175.560.1-92000113.9I234 G235 I237 T247 T286 L287I234-F242 HydrophobicContact CD1-CD2 4.3Å; I234-F242 HydrophobicContact CD1-CE2 4.04Å; I234-F242 HydrophobicContact CG1-CD2 4Å; I234-F242 HydrophobicContact CG1-CE2 3.98Å; I234-F242 PolarHBondContact N-O 2.99Å; G235-F242 VanDerWaalsContact C-CE1 3.48Å; G235-F242 PolarHBondContact N-O 3.18Å; G235-F242 WeakPolarHBondContact O-CD1 3.24Å; G235-F242 PolarHBondContact O-N 3.49Å; I237-F242 HydrophobicContact CB-CE1 4.27Å; I237-F242 HydrophobicContact CG2-CD1 4.08Å; I237-F242 HydrophobicContact CG2-CE1 3.77Å; F242-T247 VanDerWaalsContact CA-O 3.28Å; F242-T247 WeakPolarHBondContact CA-O 2.9Å; F242-T286 HydrophobicContact CD2-CG2 4.21Å; F242-T286 HydrophobicContact CE2-CG2 4.15Å; F242-L287 HydrophobicContact CD1-CD2 4.38Å; F242-L287 HydrophobicContact CE1-CD1 4.1Å; F242-L287 HydrophobicContact CE1-CD2 3.84Å; F242-L287 HydrophobicContact CE1-CG 4.18Å; F242-L287 HydrophobicContact CE2-CD2 4.18Å; F242-L287 HydrophobicContact CE2-CG 4.17Å; F242-L287 HydrophobicContact CZ-CD1 3.77Å; F242-L287 HydrophobicContact CZ-CD2 3.73Å; F242-L287 HydrophobicContact CZ-CG 3.64Å
243T95.2Very high93.4Very high22 Ų2234 Ų3414%0.13519%0.19CC..  trans-93.6177.9176.147.80000111.8E231 D245 G246 T247E231-T243 VanDerWaalsContact O-CG2 3.3Å; E231-T243 WeakPolarHBondContact O-CG2 3.16Å; T243-D245 VanDerWaalsContact C-N 3.25Å; T243-D245 WeakPolarHBondContact CB-OD1 3.32Å; T243-D245 PolarHBondContact O-N 3.04Å; T243-D245 PolarHBondContact OG1-OD1 2.97Å; T243-G246 WeakPolarHBondContact O-CA 3.33Å; T243-G246 PolarHBondContact O-N 3.34Å; T243-T247 PolarHBondContact N-O 2.84Å; T243-T247 VanDerWaalsContact N-O 3.14Å; T243-T247 PolarHBondContact OG1-O 3.4Å
244V94Very high93.3Very high89 Ų8934.3 Ų34.354%0.53919%0.192SC..THydrogen-bonded Turntrans-63-23.6-173.370.10000115.6I234 G246 T286I234-V244 HydrophobicContact CD1-CB 4.26Å; I234-V244 HydrophobicContact CD1-CG2 4.48Å; I234-V244 HydrophobicContact CG2-CB 4.31Å; V244-G246 VanDerWaalsContact C-N 3.28Å; V244-T286 WeakPolarHBondContact O-CG2 3.42Å
245D93.7Very high93.3Very high109 Ų10937.3 Ų37.358%0.58321%0.205SC*.THydrogen-bonded Turntrans-86-2.4171.365.7-26000112.5T243 T247T243-D245 VanDerWaalsContact C-N 3.25Å; T243-D245 WeakPolarHBondContact CB-OD1 3.32Å; T243-D245 PolarHBondContact O-N 3.04Å; T243-D245 PolarHBondContact OG1-OD1 2.97Å; D245-T247 VanDerWaalsContact CG-OG1 3.25Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 2.84Å; D245-T247 PolarHBondContact OD1-OG1 3.47Å; D245-T247 WeakPolarHBondContact OD2-CB 3.38Å; D245-T247 PolarHBondContact OD2-OG1 2.9Å
246G94.3Very high93.3Very high6 Ų639 Ų396%0.06221%0.212CC..  trans82.710.9-178.900000115.6T243 V244 M290T243-G246 WeakPolarHBondContact O-CA 3.33Å; T243-G246 PolarHBondContact O-N 3.34Å; V244-G246 VanDerWaalsContact C-N 3.28Å; G246-M290 WeakPolarHBondContact O-CE 3.43Å
247T95.9Very high93.3Very high71 Ų7139 Ų3944%0.43621%0.212SC..PPolyproline II helixtrans-73.4129.1-179.9-68.20000110.5F242 T243 D245 L249F242-T247 VanDerWaalsContact CA-O 3.28Å; F242-T247 WeakPolarHBondContact CA-O 2.9Å; T243-T247 PolarHBondContact N-O 2.84Å; T243-T247 VanDerWaalsContact N-O 3.14Å; T243-T247 PolarHBondContact OG1-O 3.4Å; D245-T247 VanDerWaalsContact CG-OG1 3.25Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 2.84Å; D245-T247 PolarHBondContact OD1-OG1 3.47Å; D245-T247 WeakPolarHBondContact OD2-CB 3.38Å; D245-T247 PolarHBondContact OD2-OG1 2.9Å; T247-L249 PolarHBondContact O-N 2.83Å
248P96Very high93.3Very high62 Ų6239 Ų3940%0.40321%0.212SC..BIsolated β-bridgetrans-61.1127.5173.5-26.135.9000112.1T240 I241 K250T240-P248 HydrophobicContact CG2-CB 3.82Å; T240-P248 HydrophobicContact CG2-CG 4.05Å; I241-P248 CarbonylContact O-C 3.54Å; I241-P248 WeakPolarHBondContact O-CA 3.24Å; P248-K250 PolarHBondContact O-N 3.42Å
249L93.9Very high93.4Very high19 Ų1939.2 Ų39.210%0.09921%0.214CC..PPolyproline II helixtrans-73.5126.9173.5-176.461.2000109.8L228 E231 A233 I241 T247 K251 S254L228-L249 HydrophobicContact CD2-CD2 3.59Å; E231-L249 HydrophobicContact CB-CD1 3.63Å; E231-L249 HydrophobicContact CB-CD2 3.98Å; E231-L249 HydrophobicContact CB-CG 4.48Å; E231-L249 HydrophobicContact CG-CD1 3.94Å; E231-L249 HydrophobicContact CG-CD2 4.49Å; A233-L249 HydrophobicContact CB-CD2 4.42Å; I241-L249 HydrophobicContact CB-CB 4.38Å; I241-L249 HydrophobicContact CG2-CB 4.15Å; I241-L249 HydrophobicContact CG2-CD2 4.18Å; I241-L249 PolarHBondContact O-N 2.85Å; T247-L249 PolarHBondContact O-N 2.83Å; L249-K251 HydrophobicContact CD1-CB 4.26Å; L249-K251 HydrophobicContact CG-CB 4.49Å; L249-S254 VanDerWaalsContact C-OG 3.28Å; L249-S254 WeakPolarHBondContact O-CB 3.32Å; L249-S254 PolarHBondContact O-OG 3.13Å
250K91.5Very high93.6Very high162 Ų16239 Ų3970%0.70421%0.212SC*.  trans-115.848.5179.9-62.7-177.2179.2-179.50111.8P248 Q255P248-K250 PolarHBondContact O-N 3.42Å; K250-Q255 VanDerWaalsContact C-CD 3.47Å; K250-Q255 HydrophobicContact CB-CG 4.45Å; K250-Q255 WeakPolarHBondContact O-CG 3.28Å; K250-Q255 PolarHBondContact O-NE2 2.87Å; K250-Q255 PolarHBondContact O-OE1 2.97Å
251K90.2Very high93.6Very high95 Ų9541.7 Ų41.741%0.41322%0.224SC..SBendtrans-142.1147.3-179.1-71.9178.1178.8169.50112L227 E231 L249 S254L227-K251 HydrophobicContact CD2-CB 4.4Å; E231-K251 VanDerWaalsContact CD-CD 3.41Å; E231-K251 HydrophobicContact CG-CD 4.07Å; E231-K251 WeakPolarHBondContact OE1-CD 3.22Å; E231-K251 IonicContact OE1-NZ 3.62Å; E231-K251 PolarHBondContact OE1-NZ 3.49Å; E231-K251 WeakPolarHBondContact OE2-CD 3.19Å; E231-K251 IonicContact OE2-NZ 3.91Å; E231-K251 PolarHBondContact OE2-NZ 2.88Å; L249-K251 HydrophobicContact CD1-CB 4.26Å; L249-K251 HydrophobicContact CG-CB 4.49Å; K251-S254 PolarHBondContact N-OG 2.8Å; K251-S254 VanDerWaalsContact N-OG 3.12Å; K251-S254 PolarHBondContact O-N 3.11Å; K251-S254 PolarHBondContact O-OG 2.86Å
252G87Confident93.8Very high31 Ų3141.7 Ų41.732%0.3222%0.224SC..G310 helixtrans61-140.5177.400000111.9S254 Q255G252-S254 PolarHBondContact O-N 3.23Å; G252-Q255 PolarHBondContact O-N 2.64Å
253F86.8Confident93.8Very high2 Ų247.1 Ų47.11%0.00925%0.25CC..G310 helixtrans-66.9-17.4-177.187.1-86.3000114.5I172 Y214 I220 E224 L228 I241 Q255 R256 L257I172-F253 HydrophobicContact CD1-CD2 4.23Å; I172-F253 HydrophobicContact CD1-CE2 4.45Å; I172-F253 HydrophobicContact CG1-CD2 4.45Å; I172-F253 HydrophobicContact CG2-CB 4.47Å; I172-F253 HydrophobicContact CG2-CD2 4.42Å; Y214-F253 HydrophobicContact CD1-CE2 4.39Å; Y214-F253 HydrophobicContact CD1-CZ 4.45Å; Y214-F253 AromaticContact CE1-CE2 3.91Å; Y214-F253 HydrophobicContact CE1-CE2 3.91Å; Y214-F253 HydrophobicContact CE1-CZ 4.29Å; I220-F253 HydrophobicContact CB-CE1 4.45Å; I220-F253 HydrophobicContact CD1-CE1 4.06Å; I220-F253 HydrophobicContact CD1-CZ 4.33Å; I220-F253 HydrophobicContact CG2-CD1 3.86Å; I220-F253 HydrophobicContact CG2-CD2 3.96Å; I220-F253 HydrophobicContact CG2-CE1 3.7Å; I220-F253 HydrophobicContact CG2-CE2 3.82Å; I220-F253 HydrophobicContact CG2-CG 3.97Å; I220-F253 HydrophobicContact CG2-CZ 3.68Å; E224-F253 HydrophobicContact CB-CD1 4.07Å; E224-F253 HydrophobicContact CG-CD1 4.42Å; E224-F253 WeakPolarHBondContact OE1-CB 3.26Å; L228-F253 HydrophobicContact CD1-CE1 3.54Å; L228-F253 HydrophobicContact CD1-CZ 3.88Å; L228-F253 HydrophobicContact CD2-CE1 3.87Å; L228-F253 HydrophobicContact CD2-CZ 4.45Å; L228-F253 HydrophobicContact CG-CE1 3.77Å; L228-F253 HydrophobicContact CG-CZ 4.49Å; I241-F253 HydrophobicContact CD1-CE1 3.95Å; I241-F253 HydrophobicContact CD1-CE2 3.6Å; I241-F253 HydrophobicContact CD1-CZ 3.26Å; F253-Q255 PolarHBondContact O-N 3.2Å; F253-R256 WeakPolarHBondContact O-CA 3.33Å; F253-R256 WeakPolarHBondContact O-CB 3.41Å; F253-R256 PolarHBondContact O-N 3.41Å; F253-L257 HydrophobicContact CD2-CD2 4.45Å; F253-L257 HydrophobicContact CD2-CG 4.45Å; F253-L257 HydrophobicContact CE2-CD1 4.49Å; F253-L257 HydrophobicContact CE2-CD2 4.37Å; F253-L257 PolarHBondContact O-N 2.77Å
254S90.6Very high94Very high9 Ų946.9 Ų46.96%0.06325%0.247CC..G310 helixtrans-59.2-31.9176.879.10000111.4L249 K251 G252 R256L249-S254 VanDerWaalsContact C-OG 3.28Å; L249-S254 WeakPolarHBondContact O-CB 3.32Å; L249-S254 PolarHBondContact O-OG 3.13Å; K251-S254 PolarHBondContact N-OG 2.8Å; K251-S254 VanDerWaalsContact N-OG 3.12Å; K251-S254 PolarHBondContact O-N 3.11Å; K251-S254 PolarHBondContact O-OG 2.86Å; G252-S254 PolarHBondContact O-N 3.23Å; S254-R256 PolarHBondContact O-N 3.13Å
255Q93.2Very high94.2Very high79 Ų7942.6 Ų42.637%0.36922%0.222SC..G310 helixtrans-72.7-17176-62.1179.4-87.600112.8L176 K179 K250 G252 F253L176-Q255 HydrophobicContact CD1-CB 4.22Å; K179-Q255 WeakPolarHBondContact CD-O 3.44Å; K179-Q255 WeakPolarHBondContact CE-O 3.46Å; K179-Q255 PolarHBondContact NZ-O 2.94Å; K250-Q255 VanDerWaalsContact C-CD 3.47Å; K250-Q255 HydrophobicContact CB-CG 4.45Å; K250-Q255 WeakPolarHBondContact O-CG 3.28Å; K250-Q255 PolarHBondContact O-NE2 2.87Å; K250-Q255 PolarHBondContact O-OE1 2.97Å; G252-Q255 PolarHBondContact O-N 2.64Å; F253-Q255 PolarHBondContact O-N 3.2Å
256R93.1Very high94.4Very high37 Ų3741.8 Ų41.814%0.1421%0.213CC..G310 helixtrans-96.6-2.7-177.3-57.4-173.8-67.2117.3-4.3113.6I172 A173 D174 E224 F253 S254I172-R256 HydrophobicContact CG2-CB 4.14Å; I172-R256 VanDerWaalsContact CG2-NH1 3.34Å; A173-R256 PolarHBondContact N-O 2.75Å; A173-R256 WeakPolarHBondContact O-CB 3.25Å; A173-R256 VanDerWaalsContact O-CD 3.32Å; A173-R256 WeakPolarHBondContact O-CD 3.48Å; A173-R256 PolarHBondContact O-NH1 2.57Å; D174-R256 PolarHBondContact O-NH1 3.36Å; D174-R256 VanDerWaalsContact O-NH1 3.13Å; E224-R256 IonicContact OE1-CZ 3.96Å; E224-R256 IonicContact OE1-NH2 2.73Å; E224-R256 PolarHBondContact OE1-NH2 3.09Å; E224-R256 IonicContact OE2-NH2 2.87Å; F253-R256 WeakPolarHBondContact O-CA 3.33Å; F253-R256 WeakPolarHBondContact O-CB 3.41Å; F253-R256 PolarHBondContact O-N 3.41Å; S254-R256 PolarHBondContact O-N 3.13Å
257L94.1Very high94.6Very high2 Ų248.3 Ų48.31%0.0124%0.24CC..BIsolated β-bridgetrans-67.4140.9177.6-70.4167.2000111.8A171 I172 K179 S239 I241 F253A171-L257 CarbonylContact O-C 3.5Å; A171-L257 VanDerWaalsContact O-CA 3.24Å; A171-L257 WeakPolarHBondContact O-CA 3.41Å; I172-L257 HydrophobicContact CG1-CD2 3.72Å; K179-L257 WeakPolarHBondContact CE-O 3.43Å; K179-L257 PolarHBondContact NZ-O 2.83Å; S239-L257 WeakPolarHBondContact O-CB 3.34Å; S239-L257 VanDerWaalsContact O-CD1 3.27Å; S239-L257 WeakPolarHBondContact O-CD1 3.29Å; I241-L257 HydrophobicContact CD1-CD1 4.07Å; I241-L257 HydrophobicContact CG1-CD1 3.94Å; F253-L257 HydrophobicContact CD2-CD2 4.45Å; F253-L257 HydrophobicContact CD2-CG 4.45Å; F253-L257 HydrophobicContact CE2-CD1 4.49Å; F253-L257 HydrophobicContact CE2-CD2 4.37Å; F253-L257 PolarHBondContact O-N 2.77Å
258L95.5Very high94.7Very high1 Ų145.3 Ų45.31%0.00522%0.221CC..  trans-126.6116.1-179.1-80.8167.3000110.6I137 G138 A169 P170 A171 A173 K179 L182 L183I137-L258 VanDerWaalsContact CG1-O 3.26Å; I137-L258 WeakPolarHBondContact CG1-O 3.46Å; G138-L258 PolarHBondContact N-O 3.28Å; G138-L258 VanDerWaalsContact N-O 3.11Å; A169-L258 HydrophobicContact CB-CD1 4.15Å; P170-L258 HydrophobicContact CG-CD1 4.43Å; P170-L258 WeakPolarHBondContact O-CB 3.15Å; P170-L258 WeakPolarHBondContact O-CD1 3.22Å; A171-L258 PolarHBondContact O-N 2.85Å; A173-L258 HydrophobicContact CB-CD1 4.12Å; K179-L258 HydrophobicContact CG-CD2 3.8Å; K179-L258 HydrophobicContact CG-CG 4.06Å; L182-L258 HydrophobicContact CB-CD1 4.17Å; L182-L258 HydrophobicContact CD1-CD1 3.54Å; L183-L258 HydrophobicContact CD2-CD2 3.6Å; L183-L258 HydrophobicContact CG-CD2 3.82Å
259G96.5Very high94.9Very high8 Ų846.7 Ų46.78%0.08223%0.229CC..BIsolated β-bridgetrans159-172.7-175.900000111.1L136 S239 E261L136-G259 CarbonylContact O-C 3.57Å; L136-G259 VanDerWaalsContact O-CA 3.28Å; L136-G259 WeakPolarHBondContact O-CA 3.06Å; S239-G259 PolarHBondContact OG-O 2.99Å; G259-E261 PolarHBondContact O-N 3.49Å
260I97.7Very high95.1Very high1 Ų148.4 Ų48.41%0.00524%0.237CC..  trans-72.3127.1177.5-51.2-50.4000110.1L136 I192 K196 S239 D264 I265L136-I260 HydrophobicContact CB-CB 4.45Å; L136-I260 HydrophobicContact CB-CG1 4.04Å; L136-I260 HydrophobicContact CD2-CG1 3.78Å; L136-I260 HydrophobicContact CG-CG1 4.49Å; L136-I260 PolarHBondContact O-N 2.77Å; I192-I260 HydrophobicContact CB-CD1 4.38Å; I192-I260 HydrophobicContact CG2-CD1 4.09Å; I192-I260 WeakPolarHBondContact O-CD1 3.42Å; K196-I260 HydrophobicContact CG-CD1 4.17Å; S239-I260 PolarHBondContact N-O 3.41Å; S239-I260 PolarHBondContact OG-O 3.32Å; S239-I260 VanDerWaalsContact OG-O 3.04Å; I260-D264 HydrophobicContact CG2-CB 3.84Å; I260-I265 HydrophobicContact CG2-CG1 3.82Å
261E96.9Very high95.4Very high68 Ų6840.7 Ų40.732%0.31820%0.203SC..  trans-86.9156-177.9-64.6-179.4165.300111.3S239 T240 G259 Q263 D264 I265S239-E261 WeakPolarHBondContact OG-CG 3.21Å; S239-E261 PolarHBondContact OG-N 3.05Å; T240-E261 WeakPolarHBondContact OG1-CA 3.2Å; G259-E261 PolarHBondContact O-N 3.49Å; E261-Q263 HydrophobicContact CB-CG 4.07Å; E261-Q263 PolarHBondContact O-N 2.81Å; E261-Q263 VanDerWaalsContact O-N 3.08Å; E261-Q263 PolarHBondContact OE2-NE2 3.45Å; E261-D264 PolarHBondContact O-N 3.14Å; E261-I265 WeakPolarHBondContact O-CG1 3.25Å; E261-I265 PolarHBondContact O-N 2.91Å
262L97.5Very high95.9Very high2 Ų236.1 Ų36.11%0.0118%0.184CC..Hα-helixtrans-50.3-38.5179.3175.658.2000113.2I237 T240 D264 I265 K266 L287 M290 F292I237-L262 HydrophobicContact CG2-CB 4.39Å; I237-L262 HydrophobicContact CG2-CD1 3.98Å; T240-L262 HydrophobicContact CG2-CB 3.74Å; T240-L262 HydrophobicContact CG2-CD2 4.33Å; T240-L262 PolarHBondContact OG1-N 2.81Å; L262-D264 PolarHBondContact O-N 2.94Å; L262-I265 PolarHBondContact O-N 3.43Å; L262-K266 HydrophobicContact CD1-CG 4.4Å; L262-K266 VanDerWaalsContact O-CG 3.3Å; L262-K266 WeakPolarHBondContact O-CG 3.48Å; L262-K266 PolarHBondContact O-N 3.04Å; L262-L287 HydrophobicContact CD1-CD2 4.03Å; L262-L287 HydrophobicContact CD2-CD2 4.47Å; L262-M290 HydrophobicContact CD1-SD 4.33Å; L262-M290 HydrophobicContact CD2-CE 4.07Å; L262-M290 HydrophobicContact CD2-SD 4.08Å; L262-F292 HydrophobicContact CD1-CE1 3.96Å; L262-F292 HydrophobicContact CD1-CE2 4.43Å; L262-F292 HydrophobicContact CD1-CZ 3.67Å
263Q97.3Very high96.4Very high115 Ų11534.7 Ų34.754%0.53717%0.169SC..Hα-helixtrans-63.5-27.7178.961.9177.7-8.400113.7E261 K267E261-Q263 HydrophobicContact CB-CG 4.07Å; E261-Q263 PolarHBondContact O-N 2.81Å; E261-Q263 VanDerWaalsContact O-N 3.08Å; E261-Q263 PolarHBondContact OE2-NE2 3.45Å; Q263-K267 VanDerWaalsContact O-CE 3.29Å; Q263-K267 WeakPolarHBondContact O-CE 3.37Å
264D98.3Very high96.9Very high16 Ų1634.6 Ų34.69%0.08617%0.168CC..Hα-helixtrans-91.7-35177.3-65.9-44.4000111.4K196 I260 E261 L262 K266 K267K196-D264 HydrophobicContact CD-CB 4.35Å; K196-D264 WeakPolarHBondContact CE-OD2 3.46Å; K196-D264 HydrophobicContact CG-CB 3.92Å; K196-D264 IonicContact NZ-OD2 3.68Å; I260-D264 HydrophobicContact CG2-CB 3.84Å; E261-D264 PolarHBondContact O-N 3.14Å; L262-D264 PolarHBondContact O-N 2.94Å; D264-K266 PolarHBondContact O-N 3.48Å; D264-K267 WeakPolarHBondContact O-CB 3.32Å; D264-K267 PolarHBondContact O-N 2.84Å; D264-K267 IonicContact OD1-NZ 3.98Å; D264-K267 PolarHBondContact OD1-NZ 2.98Å
265I98.6Very high97.2Very high0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-54.8-41.2171.5-62.6170000110.5L203 I237 I260 E261 L262 K267 I268 V271 F292L203-I265 HydrophobicContact CD1-CD1 3.86Å; L203-I265 HydrophobicContact CD1-CG1 4.14Å; L203-I265 HydrophobicContact CD1-CG2 3.6Å; L203-I265 HydrophobicContact CD2-CD1 4.42Å; I237-I265 HydrophobicContact CD1-CD1 4.27Å; I237-I265 HydrophobicContact CD1-CG2 4.43Å; I237-I265 HydrophobicContact CG1-CD1 3.96Å; I260-I265 HydrophobicContact CG2-CG1 3.82Å; E261-I265 WeakPolarHBondContact O-CG1 3.25Å; E261-I265 PolarHBondContact O-N 2.91Å; L262-I265 PolarHBondContact O-N 3.43Å; I265-K267 PolarHBondContact O-N 2.85Å; I265-I268 WeakPolarHBondContact O-CB 3.38Å; I265-I268 PolarHBondContact O-N 3.03Å; I265-V271 HydrophobicContact CG2-CG1 4.02Å; I265-V271 HydrophobicContact CG2-CG2 4.17Å; I265-F292 HydrophobicContact CG2-CD2 4.18Å; I265-F292 HydrophobicContact CG2-CE2 3.7Å
266K98.1Very high97.3Very high91 Ų9131 Ų3140%0.39615%0.151SC..THydrogen-bonded Turntrans-57.4-18.7176.4-77.2175.5179.4-172.20115.1L262 D264 M290 F292L262-K266 HydrophobicContact CD1-CG 4.4Å; L262-K266 VanDerWaalsContact O-CG 3.3Å; L262-K266 WeakPolarHBondContact O-CG 3.48Å; L262-K266 PolarHBondContact O-N 3.04Å; D264-K266 PolarHBondContact O-N 3.48Å; K266-M290 WeakPolarHBondContact CE-SD 3.45Å; K266-M290 PolarHBondContact NZ-SD 2.86Å; K266-F292 HydrophobicContact CB-CB 4.23Å; K266-F292 HydrophobicContact CB-CG 4.3Å; K266-F292 HydrophobicContact CD-CD1 4.4Å; K266-F292 HydrophobicContact CG-CB 3.99Å; K266-F292 HydrophobicContact CG-CD1 3.61Å; K266-F292 HydrophobicContact CG-CD2 4.18Å; K266-F292 HydrophobicContact CG-CE1 4.12Å; K266-F292 HydrophobicContact CG-CG 3.64Å
267K98.4Very high97.2Very high144 Ų14429.9 Ų29.963%0.62615%0.152SC*.THydrogen-bonded Turntrans-97.8-8.5-178-56.5171-168.7154.70112.5Q263 D264 I265Q263-K267 VanDerWaalsContact O-CE 3.29Å; Q263-K267 WeakPolarHBondContact O-CE 3.37Å; D264-K267 WeakPolarHBondContact O-CB 3.32Å; D264-K267 PolarHBondContact O-N 2.84Å; D264-K267 IonicContact OD1-NZ 3.98Å; D264-K267 PolarHBondContact OD1-NZ 2.98Å; I265-K267 PolarHBondContact O-N 2.85Å
268I98.7Very high97.2Very high8 Ų836 Ų364%0.04118%0.178CC..SBendtrans-71134179.6-62.4175.4000108.3V198 A201 I265 Q270 V271V198-I268 HydrophobicContact CG2-CD1 3.72Å; V198-I268 HydrophobicContact CG2-CG1 4.16Å; V198-I268 HydrophobicContact CG2-CG2 3.86Å; A201-I268 HydrophobicContact CB-CD1 3.62Å; A201-I268 HydrophobicContact CB-CG2 4.06Å; I265-I268 WeakPolarHBondContact O-CB 3.38Å; I265-I268 PolarHBondContact O-N 3.03Å; I268-Q270 VanDerWaalsContact C-N 3.32Å; I268-Q270 VanDerWaalsContact CG2-O 3.29Å; I268-Q270 WeakPolarHBondContact CG2-O 3.38Å; I268-Q270 PolarHBondContact O-N 2.89Å; I268-V271 HydrophobicContact CB-CG2 3.87Å; I268-V271 HydrophobicContact CG2-CG2 4.14Å
269P98.5Very high97Very high90 Ų9039.2 Ų39.258%0.58419%0.193SC*.SBendtrans-59.7-37.9-175.3-25.834.6000114.5V198V198-P269 WeakPolarHBondContact O-CD 3.39Å
270Q98.6Very high96.9Very high55 Ų5539.8 Ų39.826%0.25719%0.193SC..EExtended strand (participates in β ladder)trans-129.6126.8177.7-63.1-1791.700110.5D199 L200 A201 I268D199-Q270 PolarHBondContact O-N 3.33Å; D199-Q270 VanDerWaalsContact O-N 3.11Å; L200-Q270 CarbonylContact C-O 3.58Å; L200-Q270 VanDerWaalsContact CA-O 3.27Å; L200-Q270 WeakPolarHBondContact CA-O 3.47Å; L200-Q270 HydrophobicContact CB-CB 4.08Å; L200-Q270 HydrophobicContact CD1-CB 4.45Å; L200-Q270 HydrophobicContact CG-CB 3.89Å; A201-Q270 PolarHBondContact N-O 2.73Å; I268-Q270 VanDerWaalsContact C-N 3.32Å; I268-Q270 VanDerWaalsContact CG2-O 3.29Å; I268-Q270 WeakPolarHBondContact CG2-O 3.38Å; I268-Q270 PolarHBondContact O-N 2.89Å
271V98.8Very high96.8Very high0 Ų040.2 Ų40.20%020%0.197CC..EExtended strand (participates in β ladder)trans-128.9114.9-179.7-1790000109.3L203 I265 I268 I273 F292 T294 D295L203-V271 HydrophobicContact CD1-CG1 4.26Å; I265-V271 HydrophobicContact CG2-CG1 4.02Å; I265-V271 HydrophobicContact CG2-CG2 4.17Å; I268-V271 HydrophobicContact CB-CG2 3.87Å; I268-V271 HydrophobicContact CG2-CG2 4.14Å; V271-I273 HydrophobicContact CG1-CD1 4.2Å; V271-F292 HydrophobicContact CB-CD2 4.31Å; V271-F292 HydrophobicContact CG1-CD2 4.17Å; V271-F292 HydrophobicContact CG1-CE2 3.99Å; V271-F292 HydrophobicContact CG2-CD2 4.2Å; V271-T294 PolarHBondContact N-OG1 2.91Å; V271-T294 PolarHBondContact O-N 2.91Å; V271-T294 PolarHBondContact O-OG1 2.97Å; V271-D295 PolarHBondContact O-N 3.32Å
272V98.8Very high96.7Very high0 Ų040.7 Ų40.70%020%0.199CC..EExtended strand (participates in β ladder)trans-101.4120.6178.2-169.90000109I98 L200 A201 I202 L203 V274 D295 V297I98-V272 HydrophobicContact CG2-CG1 4.27Å; I98-V272 HydrophobicContact CG2-CG2 4.03Å; L200-V272 HydrophobicContact CD1-CG2 4.48Å; L200-V272 HydrophobicContact CD2-CG2 3.73Å; L200-V272 HydrophobicContact CG-CG2 4.21Å; A201-V272 PolarHBondContact O-N 2.86Å; I202-V272 WeakPolarHBondContact CA-O 3.43Å; I202-V272 HydrophobicContact CG1-CB 4.24Å; I202-V272 HydrophobicContact CG1-CG2 4.38Å; I202-V272 HydrophobicContact CG2-CB 4.4Å; L203-V272 PolarHBondContact N-O 3.31Å; V272-V274 HydrophobicContact CG1-CG2 4.37Å; V272-D295 WeakPolarHBondContact CA-O 3.45Å; V272-D295 HydrophobicContact CB-CB 4.43Å; V272-D295 HydrophobicContact CG1-CB 4.18Å; V272-D295 HydrophobicContact CG2-CB 4.07Å; V272-V297 HydrophobicContact CG1-CG2 4.41Å
273I98.6Very high96.6Very high0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-99.8130.2172.8-64.7-53.6000110.3L203 V205 I237 V271 I293 D295 L296 V297L203-I273 HydrophobicContact CB-CD1 4Å; L203-I273 WeakPolarHBondContact O-CA 3.26Å; V205-I273 HydrophobicContact CB-CG2 4.44Å; V205-I273 HydrophobicContact CG2-CD1 4.06Å; V205-I273 HydrophobicContact CG2-CG2 3.58Å; I237-I273 HydrophobicContact CD1-CD1 3.61Å; V271-I273 HydrophobicContact CG1-CD1 4.2Å; I273-I293 HydrophobicContact CB-CD1 4.43Å; I273-I293 HydrophobicContact CB-CG2 4.43Å; I273-I293 HydrophobicContact CG1-CD1 3.53Å; I273-I293 HydrophobicContact CG1-CG1 3.74Å; I273-I293 HydrophobicContact CG1-CG2 4.02Å; I273-D295 PolarHBondContact N-O 2.94Å; I273-L296 HydrophobicContact CB-CD1 3.92Å; I273-L296 HydrophobicContact CG2-CD1 3.95Å; I273-V297 PolarHBondContact O-N 3.46Å
274V98.2Very high96.6Very high0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-119.8117.5175.3-161.50000110C94 T115 L116 I202 L203 G204 V272 V297C94-V274 HydrophobicContact CB-CG1 4.45Å; C94-V274 HydrophobicContact CB-CG2 4.21Å; C94-V274 VanDerWaalsContact SG-CG2 3.59Å; T115-V274 HydrophobicContact CG2-CB 4.32Å; T115-V274 HydrophobicContact CG2-CG1 3.48Å; T115-V274 VanDerWaalsContact CG2-CG1 3.48Å; L116-V274 HydrophobicContact CD2-CB 4.08Å; L116-V274 HydrophobicContact CD2-CG2 3.96Å; I202-V274 HydrophobicContact CG2-CG2 3.8Å; L203-V274 PolarHBondContact O-N 3.02Å; G204-V274 WeakPolarHBondContact CA-O 3.14Å; V272-V274 HydrophobicContact CG1-CG2 4.37Å; V274-V297 VanDerWaalsContact CA-O 3.29Å; V274-V297 WeakPolarHBondContact CA-O 3.38Å; V274-V297 HydrophobicContact CG1-CB 4.08Å; V274-V297 HydrophobicContact CG1-CG1 4.16Å; V274-V297 HydrophobicContact CG2-CB 4.37Å
275A95.9Very high96.6Very high0 Ų036.9 Ų36.90%018%0.181CC..EExtended strand (participates in β ladder)trans-146141.2-177.900000113K280 V284 V297 I298 D299 I302A275-K280 HydrophobicContact CB-CD 4.3Å; A275-V284 HydrophobicContact CB-CG2 3.78Å; A275-V297 PolarHBondContact N-O 2.9Å; A275-I298 HydrophobicContact CB-CG2 4.28Å; A275-I298 WeakPolarHBondContact O-CA 3.37Å; A275-D299 PolarHBondContact O-N 3.45Å; A275-I302 HydrophobicContact CB-CD1 3.99Å
276T94.8Very high96.5Very high12 Ų1237.3 Ų37.37%0.07418%0.183CC..  trans-138.2148.8172.257.20000109.6A90 T115 K280 D299A90-T276 HydrophobicContact CB-CG2 3.5Å; A90-T276 VanDerWaalsContact CB-CG2 3.5Å; T115-T276 HydrophobicContact CG2-CG2 4.4Å; T276-K280 VanDerWaalsContact O-CD 3.29Å; T276-K280 WeakPolarHBondContact O-CD 3.4Å; T276-K280 VanDerWaalsContact O-CE 3.31Å; T276-K280 WeakPolarHBondContact O-CE 3.49Å; T276-D299 VanDerWaalsContact CA-OD2 3.32Å; T276-D299 WeakPolarHBondContact CA-OD2 3.35Å; T276-D299 WeakPolarHBondContact CB-OD2 3.22Å; T276-D299 HydrophobicContact CG2-CB 4.19Å
277G92.6Very high96.5Very high15 Ų1533 Ų3316%0.15517%0.165CC..SBendtrans101.7120-173.800000112.5E279 K280 D299 I302G277-E279 VanDerWaalsContact CA-OE2 3.32Å; G277-E279 WeakPolarHBondContact CA-OE2 3.36Å; G277-E279 PolarHBondContact O-N 3.42Å; G277-K280 WeakPolarHBondContact O-CB 3.34Å; G277-K280 PolarHBondContact O-N 2.96Å; G277-D299 PolarHBondContact N-OD2 3.11Å; G277-I302 WeakPolarHBondContact O-CD1 3.18Å; G277-I302 WeakPolarHBondContact O-CG1 3.34Å
278K92.7Very high96.5Very high131 Ų13126.2 Ų26.257%0.5714%0.135SC*.G310 helixtrans-54.1-26.6-178.968.3-177.1179.8-176.90114.2K280 A281 E301 L305K278-K280 PolarHBondContact O-N 3.22Å; K278-A281 WeakPolarHBondContact O-CB 3.35Å; K278-A281 PolarHBondContact O-N 3.29Å; K278-E301 HydrophobicContact CB-CB 4.2Å; K278-L305 HydrophobicContact CB-CD1 4.14Å
279E91.6Very high96.5Very high68 Ų6831.7 Ų31.732%0.31816%0.159SC..G310 helixtrans-61.7-22.5177.271-75.317900113R210 G277R210-E279 HydrophobicContact CB-CB 4.41Å; G277-E279 VanDerWaalsContact CA-OE2 3.32Å; G277-E279 WeakPolarHBondContact CA-OE2 3.36Å; G277-E279 PolarHBondContact O-N 3.42Å
280K94.1Very high96.4Very high19 Ų1929.4 Ų29.48%0.08314%0.141CC..G310 helixtrans-89.8-4.1180-55.9-178.4-179.9-171.60113.9V205 A275 T276 G277 K278 E282 S283 V284 I302V205-K280 VanDerWaalsContact O-CD 3.3Å; V205-K280 WeakPolarHBondContact O-CD 3.29Å; V205-K280 WeakPolarHBondContact O-CE 3.39Å; V205-K280 PolarHBondContact O-NZ 2.96Å; A275-K280 HydrophobicContact CB-CD 4.3Å; T276-K280 VanDerWaalsContact O-CD 3.29Å; T276-K280 WeakPolarHBondContact O-CD 3.4Å; T276-K280 VanDerWaalsContact O-CE 3.31Å; T276-K280 WeakPolarHBondContact O-CE 3.49Å; G277-K280 WeakPolarHBondContact O-CB 3.34Å; G277-K280 PolarHBondContact O-N 2.96Å; K278-K280 PolarHBondContact O-N 3.22Å; K280-E282 VanDerWaalsContact C-N 3.27Å; K280-E282 PolarHBondContact O-N 2.85Å; K280-S283 PolarHBondContact O-N 3.28Å; K280-S283 VanDerWaalsContact O-N 3.17Å; K280-V284 WeakPolarHBondContact O-CG2 3.44Å; K280-V284 PolarHBondContact O-N 3.48Å; K280-I302 HydrophobicContact CB-CD1 4.33Å
281A95.4Very high96.4Very high10 Ų1032.6 Ų32.68%0.08316%0.16CC..Hα-helixtrans-58.3-40.1-174.900000112.1K278 V284 Q285 I302 L305K278-A281 WeakPolarHBondContact O-CB 3.35Å; K278-A281 PolarHBondContact O-N 3.29Å; A281-V284 PolarHBondContact O-N 2.95Å; A281-Q285 VanDerWaalsContact O-CB 3.3Å; A281-Q285 WeakPolarHBondContact O-CB 3.29Å; A281-Q285 PolarHBondContact O-N 3.48Å; A281-I302 HydrophobicContact CB-CG2 4.36Å; A281-L305 HydrophobicContact CB-CB 3.93Å; A281-L305 HydrophobicContact CB-CD1 3.74Å
282E95.2Very high96.4Very high79 Ų7933.5 Ų33.537%0.36916%0.164SC..Hα-helixtrans-64.8-42.4177.8-172172.2-161.100112.3I234 K280 T286I234-E282 HydrophobicContact CD1-CG 3.98Å; K280-E282 VanDerWaalsContact C-N 3.27Å; K280-E282 PolarHBondContact O-N 2.85Å; E282-T286 WeakPolarHBondContact O-CB 3.26Å; E282-T286 PolarHBondContact O-N 2.93Å; E282-T286 PolarHBondContact O-OG1 3.47Å
283S95.7Very high96.3Very high0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-63.1-46.8175.6-30.20000111.1I234 K280 T286 L287I234-S283 PolarHBondContact O-OG 2.88Å; K280-S283 PolarHBondContact O-N 3.28Å; K280-S283 VanDerWaalsContact O-N 3.17Å; S283-T286 PolarHBondContact O-N 3.42Å; S283-L287 WeakPolarHBondContact O-CG 3.33Å; S283-L287 PolarHBondContact O-N 3.15Å; S283-L287 VanDerWaalsContact O-N 3.16Å
284V97.5Very high96.4Very high0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-63-47.3178.4173.70000110.7V205 A275 K280 A281 T286 L287 L288 L296 I302 L306V205-V284 HydrophobicContact CB-CG2 4.46Å; V205-V284 HydrophobicContact CG1-CG2 4.39Å; A275-V284 HydrophobicContact CB-CG2 3.78Å; K280-V284 WeakPolarHBondContact O-CG2 3.44Å; K280-V284 PolarHBondContact O-N 3.48Å; A281-V284 PolarHBondContact O-N 2.95Å; V284-T286 VanDerWaalsContact C-N 3.29Å; V284-T286 PolarHBondContact O-N 3.33Å; V284-L287 PolarHBondContact O-N 3.46Å; V284-L288 HydrophobicContact CG1-CD1 3.78Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CG 3.16Å; V284-L288 PolarHBondContact O-N 2.65Å; V284-L296 HydrophobicContact CG1-CD1 4.09Å; V284-I302 HydrophobicContact CB-CG2 4.41Å; V284-I302 HydrophobicContact CG1-CG2 4.33Å; V284-L306 HydrophobicContact CG1-CD1 4.07Å; V284-L306 HydrophobicContact CG1-CD2 4.18Å
285Q97.7Very high96.4Very high52 Ų5235.1 Ų35.124%0.24317%0.173CC..Hα-helixtrans-60.5-39.9179.2-160.9-173.261.600112Y71 A281 L288 K289 L306Y71-Q285 WeakPolarHBondContact OH-CG 3.49Å; A281-Q285 VanDerWaalsContact O-CB 3.3Å; A281-Q285 WeakPolarHBondContact O-CB 3.29Å; A281-Q285 PolarHBondContact O-N 3.48Å; Q285-L288 PolarHBondContact O-N 3.17Å; Q285-K289 WeakPolarHBondContact O-CG 3.41Å; Q285-K289 PolarHBondContact O-N 2.57Å; Q285-K289 VanDerWaalsContact O-N 3.14Å; Q285-L306 HydrophobicContact CB-CD2 3.59Å; Q285-L306 HydrophobicContact CG-CD2 3.95Å; Q285-L306 PolarHBondContact NE2-OXT 3.09Å
286T97.7Very high96.5Very high9 Ų935.1 Ų35.16%0.05517%0.173CC..Hα-helixtrans-63.1-43.4178.2-60.70000111.4I234 F242 V244 E282 S283 V284 M290I234-T286 HydrophobicContact CD1-CG2 4.12Å; I234-T286 WeakPolarHBondContact CD1-OG1 3.43Å; F242-T286 HydrophobicContact CD2-CG2 4.21Å; F242-T286 HydrophobicContact CE2-CG2 4.15Å; V244-T286 WeakPolarHBondContact O-CG2 3.42Å; E282-T286 WeakPolarHBondContact O-CB 3.26Å; E282-T286 PolarHBondContact O-N 2.93Å; E282-T286 PolarHBondContact O-OG1 3.47Å; S283-T286 PolarHBondContact O-N 3.42Å; V284-T286 VanDerWaalsContact C-N 3.29Å; V284-T286 PolarHBondContact O-N 3.33Å; T286-M290 HydrophobicContact CG2-CE 4.35Å
287L98.2Very high96.7Very high0 Ų034.5 Ų34.50%017%0.169CC..Hα-helixtrans-70.6-37.7177.9-63.3172.5000112.4V205 I237 F242 L262 S283 V284 K289 M290 F292 I293V205-L287 HydrophobicContact CB-CD1 4.49Å; V205-L287 HydrophobicContact CG1-CD1 4.09Å; V205-L287 HydrophobicContact CG2-CD1 3.5Å; V205-L287 VanDerWaalsContact CG2-CD1 3.5Å; I237-L287 HydrophobicContact CB-CD1 4.33Å; I237-L287 HydrophobicContact CD1-CD1 3.99Å; I237-L287 HydrophobicContact CG2-CD1 4.4Å; I237-L287 HydrophobicContact CG2-CD2 4.17Å; F242-L287 HydrophobicContact CD1-CD2 4.38Å; F242-L287 HydrophobicContact CE1-CD1 4.1Å; F242-L287 HydrophobicContact CE1-CD2 3.84Å; F242-L287 HydrophobicContact CE1-CG 4.18Å; F242-L287 HydrophobicContact CE2-CD2 4.18Å; F242-L287 HydrophobicContact CE2-CG 4.17Å; F242-L287 HydrophobicContact CZ-CD1 3.77Å; F242-L287 HydrophobicContact CZ-CD2 3.73Å; F242-L287 HydrophobicContact CZ-CG 3.64Å; L262-L287 HydrophobicContact CD1-CD2 4.03Å; L262-L287 HydrophobicContact CD2-CD2 4.47Å; S283-L287 WeakPolarHBondContact O-CG 3.33Å; S283-L287 PolarHBondContact O-N 3.15Å; S283-L287 VanDerWaalsContact O-N 3.16Å; V284-L287 PolarHBondContact O-N 3.46Å; L287-K289 VanDerWaalsContact C-N 3.3Å; L287-K289 PolarHBondContact O-N 2.82Å; L287-M290 HydrophobicContact CD2-CE 4.43Å; L287-M290 HydrophobicContact CD2-SD 4.13Å; L287-M290 WeakPolarHBondContact O-CB 3.49Å; L287-M290 PolarHBondContact O-N 2.89Å; L287-F292 HydrophobicContact CB-CE1 4.39Å; L287-F292 HydrophobicContact CB-CZ 4.32Å; L287-F292 HydrophobicContact CD2-CE1 4.28Å; L287-F292 HydrophobicContact CD2-CZ 4.09Å; L287-I293 HydrophobicContact CB-CD1 3.76Å
288L98.4Very high97Very high2 Ų233.8 Ų33.81%0.0116%0.162CC..Hα-helixtrans-60-40.2176.2-74.3169.1000112Y71 L73 V284 Q285 M290 N291 I293 L296 L306Y71-L288 HydrophobicContact CD1-CB 3.59Å; Y71-L288 HydrophobicContact CD1-CD1 4.44Å; Y71-L288 HydrophobicContact CD1-CG 4.47Å; Y71-L288 HydrophobicContact CD2-CD1 3.98Å; Y71-L288 HydrophobicContact CE1-CB 3.77Å; Y71-L288 HydrophobicContact CE1-CD1 4.41Å; Y71-L288 HydrophobicContact CE2-CD1 3.96Å; Y71-L288 HydrophobicContact CG-CB 4.01Å; Y71-L288 HydrophobicContact CG-CD1 4.22Å; Y71-L288 HydrophobicContact CG-CD2 4.32Å; Y71-L288 HydrophobicContact CG-CG 4.43Å; L73-L288 HydrophobicContact CD1-CD2 3.98Å; L73-L288 HydrophobicContact CD2-CD2 3.85Å; L73-L288 HydrophobicContact CG-CD2 4.42Å; V284-L288 HydrophobicContact CG1-CD1 3.78Å; V284-L288 HydrophobicContact CG1-CG 4.26Å; V284-L288 WeakPolarHBondContact O-CG 3.16Å; V284-L288 PolarHBondContact O-N 2.65Å; Q285-L288 PolarHBondContact O-N 3.17Å; L288-M290 PolarHBondContact O-N 3.11Å; L288-M290 VanDerWaalsContact O-N 3.11Å; L288-N291 PolarHBondContact O-N 2.99Å; L288-N291 VanDerWaalsContact O-N 3.13Å; L288-N291 PolarHBondContact O-OD1 3.47Å; L288-I293 HydrophobicContact CD2-CB 4.31Å; L288-I293 HydrophobicContact CD2-CD1 3.85Å; L288-I293 HydrophobicContact CD2-CG2 4.3Å; L288-I293 HydrophobicContact CG-CD1 4.11Å; L288-L296 HydrophobicContact CD1-CD2 4.05Å; L288-L296 HydrophobicContact CD2-CD2 4.21Å; L288-L306 HydrophobicContact CD1-CD1 3.71Å; L288-L306 HydrophobicContact CD1-CD2 4.06Å; L288-L306 HydrophobicContact CD1-CG 4.48Å
289K97.9Very high97.2Very high123 Ų12327.7 Ų27.754%0.53514%0.136SC..THydrogen-bonded Turntrans-64.6-11.7176-71.9168.8-179.6164.60114.1Y71 Q285 L287Y71-K289 HydrophobicContact CE1-CG 4.48Å; Q285-K289 WeakPolarHBondContact O-CG 3.41Å; Q285-K289 PolarHBondContact O-N 2.57Å; Q285-K289 VanDerWaalsContact O-N 3.14Å; L287-K289 VanDerWaalsContact C-N 3.3Å; L287-K289 PolarHBondContact O-N 2.82Å
290M97.4Very high97.4Very high42 Ų4225.7 Ų25.721%0.20713%0.126CC..THydrogen-bonded Turntrans-88.7-3.4176.2-59.9-178.2177.100113.8G246 L262 K266 T286 L287 L288 F292G246-M290 WeakPolarHBondContact O-CE 3.43Å; L262-M290 HydrophobicContact CD1-SD 4.33Å; L262-M290 HydrophobicContact CD2-CE 4.07Å; L262-M290 HydrophobicContact CD2-SD 4.08Å; K266-M290 WeakPolarHBondContact CE-SD 3.45Å; K266-M290 PolarHBondContact NZ-SD 2.86Å; T286-M290 HydrophobicContact CG2-CE 4.35Å; L287-M290 HydrophobicContact CD2-CE 4.43Å; L287-M290 HydrophobicContact CD2-SD 4.13Å; L287-M290 WeakPolarHBondContact O-CB 3.49Å; L287-M290 PolarHBondContact O-N 2.89Å; L288-M290 PolarHBondContact O-N 3.11Å; L288-M290 VanDerWaalsContact O-N 3.11Å; M290-F292 HydrophobicContact CB-CD1 3.57Å; M290-F292 HydrophobicContact CB-CE1 3.69Å; M290-F292 HydrophobicContact CG-CE1 4.33Å; M290-F292 PolarHBondContact O-N 3.07Å; M290-F292 HydrophobicContact SD-CD1 4.41Å; M290-F292 HydrophobicContact SD-CE1 3.78Å
291N97.4Very high97.5Very high122 Ų12227.3 Ų27.365%0.65213%0.134SC*.THydrogen-bonded Turntrans56.339.9170.5-53.9-16.4000115.3L288L288-N291 PolarHBondContact O-N 2.99Å; L288-N291 VanDerWaalsContact O-N 3.13Å; L288-N291 PolarHBondContact O-OD1 3.47Å
292F98Very high97.6Very high19 Ų1926.9 Ų26.98%0.08313%0.13CC..  trans-121.4-9.5173.172.6-88000113.6I237 L262 I265 K266 V271 L287 M290I237-F292 HydrophobicContact CD1-CZ 4.45Å; L262-F292 HydrophobicContact CD1-CE1 3.96Å; L262-F292 HydrophobicContact CD1-CE2 4.43Å; L262-F292 HydrophobicContact CD1-CZ 3.67Å; I265-F292 HydrophobicContact CG2-CD2 4.18Å; I265-F292 HydrophobicContact CG2-CE2 3.7Å; K266-F292 HydrophobicContact CB-CB 4.23Å; K266-F292 HydrophobicContact CB-CG 4.3Å; K266-F292 HydrophobicContact CD-CD1 4.4Å; K266-F292 HydrophobicContact CG-CB 3.99Å; K266-F292 HydrophobicContact CG-CD1 3.61Å; K266-F292 HydrophobicContact CG-CD2 4.18Å; K266-F292 HydrophobicContact CG-CE1 4.12Å; K266-F292 HydrophobicContact CG-CG 3.64Å; V271-F292 HydrophobicContact CB-CD2 4.31Å; V271-F292 HydrophobicContact CG1-CD2 4.17Å; V271-F292 HydrophobicContact CG1-CE2 3.99Å; V271-F292 HydrophobicContact CG2-CD2 4.2Å; L287-F292 HydrophobicContact CB-CE1 4.39Å; L287-F292 HydrophobicContact CB-CZ 4.32Å; L287-F292 HydrophobicContact CD2-CE1 4.28Å; L287-F292 HydrophobicContact CD2-CZ 4.09Å; M290-F292 HydrophobicContact CB-CD1 3.57Å; M290-F292 HydrophobicContact CB-CE1 3.69Å; M290-F292 HydrophobicContact CG-CE1 4.33Å; M290-F292 PolarHBondContact O-N 3.07Å; M290-F292 HydrophobicContact SD-CD1 4.41Å; M290-F292 HydrophobicContact SD-CE1 3.78Å
293I98.7Very high97.7Very high10 Ų1023.2 Ų23.25%0.05111%0.114CC..  trans-79.2128.8176.9-62.3170.5000107.5L73 I273 L287 L288 D295L73-I293 HydrophobicContact CD2-CB 4.21Å; L73-I293 HydrophobicContact CD2-CG2 3.95Å; L73-I293 VanDerWaalsContact CD2-O 3.27Å; L73-I293 WeakPolarHBondContact CD2-O 3.35Å; I273-I293 HydrophobicContact CB-CD1 4.43Å; I273-I293 HydrophobicContact CB-CG2 4.43Å; I273-I293 HydrophobicContact CG1-CD1 3.53Å; I273-I293 HydrophobicContact CG1-CG1 3.74Å; I273-I293 HydrophobicContact CG1-CG2 4.02Å; L287-I293 HydrophobicContact CB-CD1 3.76Å; L288-I293 HydrophobicContact CD2-CB 4.31Å; L288-I293 HydrophobicContact CD2-CD1 3.85Å; L288-I293 HydrophobicContact CD2-CG2 4.3Å; L288-I293 HydrophobicContact CG-CD1 4.11Å; I293-D295 WeakPolarHBondContact CG2-O 3.47Å
294T98.7Very high97.8Very high22 Ų2227.8 Ų27.814%0.13514%0.135CC..  trans-95.3-35.617656.90000111.4N74 V271N74-T294 WeakPolarHBondContact CB-O 3.02Å; N74-T294 PolarHBondContact N-O 2.83Å; V271-T294 PolarHBondContact N-OG1 2.91Å; V271-T294 PolarHBondContact O-N 2.91Å; V271-T294 PolarHBondContact O-OG1 2.97Å
295D98.8Very high97.7Very high2 Ų232.8 Ų32.81%0.01116%0.161CC..EExtended strand (participates in β ladder)trans-140144-172.7-53.9-91.6000111.1N75 L97 V271 V272 I273 I293N75-D295 VanDerWaalsContact CB-OD1 3.3Å; N75-D295 WeakPolarHBondContact CB-OD1 3.49Å; N75-D295 PolarHBondContact N-OD1 3.41Å; N75-D295 PolarHBondContact ND2-OD1 3.29Å; N75-D295 WeakPolarHBondContact O-CA 3.39Å; L97-D295 HydrophobicContact CD2-CB 4.09Å; V271-D295 PolarHBondContact O-N 3.32Å; V272-D295 WeakPolarHBondContact CA-O 3.45Å; V272-D295 HydrophobicContact CB-CB 4.43Å; V272-D295 HydrophobicContact CG1-CB 4.18Å; V272-D295 HydrophobicContact CG2-CB 4.07Å; I273-D295 PolarHBondContact N-O 2.94Å; I293-D295 WeakPolarHBondContact CG2-O 3.47Å
296L98.8Very high97.7Very high0 Ų031.3 Ų31.30%016%0.155CC..EExtended strand (participates in β ladder)trans-132128.6-173.5-174.866.4000111.4L73 N75 V76 K77 I273 V284 L288 I298 L306L73-L296 HydrophobicContact CD1-CB 3.89Å; L73-L296 HydrophobicContact CD1-CD2 4.03Å; N75-L296 PolarHBondContact O-N 3.36Å; V76-L296 CarbonylContact C-O 3.49Å; V76-L296 VanDerWaalsContact CA-O 3.29Å; V76-L296 WeakPolarHBondContact CA-O 3.49Å; V76-L296 HydrophobicContact CG2-CB 4.27Å; K77-L296 PolarHBondContact N-O 3.36Å; I273-L296 HydrophobicContact CB-CD1 3.92Å; I273-L296 HydrophobicContact CG2-CD1 3.95Å; V284-L296 HydrophobicContact CG1-CD1 4.09Å; L288-L296 HydrophobicContact CD1-CD2 4.05Å; L288-L296 HydrophobicContact CD2-CD2 4.21Å; L296-I298 HydrophobicContact CD1-CG2 3.65Å; L296-I298 HydrophobicContact CD2-CD1 3.81Å; L296-I298 HydrophobicContact CD2-CG1 4.27Å; L296-I298 HydrophobicContact CD2-CG2 4.32Å; L296-I298 HydrophobicContact CG-CD1 4.29Å; L296-I298 HydrophobicContact CG-CG1 4.22Å; L296-I298 HydrophobicContact CG-CG2 3.82Å; L296-L306 HydrophobicContact CD2-CD1 4.14Å
297V98.7Very high97.7Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-123.9110174-175.20000108.8K77 A90 L93 C94 L97 V272 I273 V274 A275K77-V297 HydrophobicContact CB-CG1 4.32Å; K77-V297 HydrophobicContact CB-CG2 4.25Å; K77-V297 WeakPolarHBondContact O-CA 3.41Å; A90-V297 HydrophobicContact CB-CG1 4.24Å; A90-V297 VanDerWaalsContact O-CG1 3.3Å; A90-V297 WeakPolarHBondContact O-CG1 3.22Å; L93-V297 HydrophobicContact CB-CG1 3.92Å; C94-V297 HydrophobicContact CB-CG1 4.33Å; C94-V297 HydrophobicContact CB-CG2 4.27Å; L97-V297 HydrophobicContact CD2-CG2 3.71Å; V272-V297 HydrophobicContact CG1-CG2 4.41Å; I273-V297 PolarHBondContact O-N 3.46Å; V274-V297 VanDerWaalsContact CA-O 3.29Å; V274-V297 WeakPolarHBondContact CA-O 3.38Å; V274-V297 HydrophobicContact CG1-CB 4.08Å; V274-V297 HydrophobicContact CG1-CG1 4.16Å; V274-V297 HydrophobicContact CG2-CB 4.37Å; A275-V297 PolarHBondContact N-O 2.9Å
298I98.2Very high97.7Very high0 Ų034.1 Ų34.10%017%0.168CC..EExtended strand (participates in β ladder)trans-135.5169.3-173.753.8172.1000112.3L67 K77 I78 A79 A275 L296 I302 A303 L306L67-I298 HydrophobicContact CD1-CD1 4.09Å; K77-I298 PolarHBondContact O-N 3.13Å; I78-I298 CarbonylContact C-O 3.58Å; I78-I298 VanDerWaalsContact CA-O 3.26Å; I78-I298 WeakPolarHBondContact CA-O 3.42Å; I78-I298 HydrophobicContact CG1-CG1 4.44Å; A79-I298 PolarHBondContact N-O 3Å; A275-I298 HydrophobicContact CB-CG2 4.28Å; A275-I298 WeakPolarHBondContact O-CA 3.37Å; L296-I298 HydrophobicContact CD1-CG2 3.65Å; L296-I298 HydrophobicContact CD2-CD1 3.81Å; L296-I298 HydrophobicContact CD2-CG1 4.27Å; L296-I298 HydrophobicContact CD2-CG2 4.32Å; L296-I298 HydrophobicContact CG-CD1 4.29Å; L296-I298 HydrophobicContact CG-CG1 4.22Å; L296-I298 HydrophobicContact CG-CG2 3.82Å; I298-I302 HydrophobicContact CB-CB 4.24Å; I298-I302 HydrophobicContact CB-CG2 4.22Å; I298-I302 HydrophobicContact CD1-CB 4.32Å; I298-I302 HydrophobicContact CD1-CG2 3.89Å; I298-I302 HydrophobicContact CG2-CD1 4.41Å; I298-I302 HydrophobicContact CG2-CG2 4.1Å; I298-A303 HydrophobicContact CD1-CB 3.6Å; I298-A303 HydrophobicContact CG1-CB 4.27Å; I298-L306 HydrophobicContact CD1-CD1 3.7Å
299D96.8Very high97.6Very high2 Ų235.9 Ų35.91%0.01118%0.177CC..EExtended strand (participates in β ladder)trans-85.4163163.964.628.7000112A79 K86 A275 T276 G277 E301 I302 A303A79-D299 HydrophobicContact CB-CB 4.33Å; A79-D299 WeakPolarHBondContact O-CA 3.43Å; K86-D299 HydrophobicContact CB-CB 4.33Å; K86-D299 HydrophobicContact CD-CB 4.34Å; A275-D299 PolarHBondContact O-N 3.45Å; T276-D299 VanDerWaalsContact CA-OD2 3.32Å; T276-D299 WeakPolarHBondContact CA-OD2 3.35Å; T276-D299 WeakPolarHBondContact CB-OD2 3.22Å; T276-D299 HydrophobicContact CG2-CB 4.19Å; G277-D299 PolarHBondContact N-OD2 3.11Å; D299-E301 PolarHBondContact O-N 3Å; D299-E301 PolarHBondContact OD1-N 3.21Å; D299-I302 PolarHBondContact O-N 2.9Å; D299-I302 WeakPolarHBondContact OD1-CG1 3.44Å; D299-I302 PolarHBondContact OD1-N 2.97Å; D299-A303 PolarHBondContact O-N 3.13Å
300E96.5Very high97.6Very high26 Ų2630.8 Ų30.812%0.12116%0.156CC..Hα-helixtrans-62.1-27.4-179.2-178.2-176.5161.200112.7H59 L60 I78 A79 A80 K81 A303 E304H59-E300 IonicContact CD2-OE1 2.76Å; L60-E300 HydrophobicContact CD2-CB 4.15Å; L60-E300 HydrophobicContact CD2-CG 3.77Å; I78-E300 VanDerWaalsContact CG2-CA 3.46Å; I78-E300 HydrophobicContact CG2-CB 3.77Å; A79-E300 PolarHBondContact O-N 2.91Å; A80-E300 WeakPolarHBondContact CA-OE2 3.45Å; K81-E300 WeakPolarHBondContact CB-OE2 3.42Å; K81-E300 HydrophobicContact CD-CG 4.19Å; K81-E300 WeakPolarHBondContact CD-OE1 3.31Å; K81-E300 HydrophobicContact CG-CB 4.03Å; K81-E300 HydrophobicContact CG-CG 4.08Å; K81-E300 WeakPolarHBondContact CG-OE2 3.42Å; K81-E300 PolarHBondContact N-OE2 3.44Å; K81-E300 IonicContact NZ-OE1 3.95Å; E300-A303 PolarHBondContact O-N 3.08Å; E300-E304 HydrophobicContact CG-CG 4.49Å; E300-E304 WeakPolarHBondContact O-CG 3.29Å; E300-E304 PolarHBondContact O-N 3.22Å
301E95.5Very high97.6Very high54 Ų5430.1 Ų30.125%0.25215%0.153SC..Hα-helixtrans-69-42.5176.9-70.1179101.300112.3K86 K278 D299 A303 L305K86-E301 IonicContact NZ-OE2 2.97Å; K86-E301 PolarHBondContact NZ-OE2 3.04Å; K278-E301 HydrophobicContact CB-CB 4.2Å; D299-E301 PolarHBondContact O-N 3Å; D299-E301 PolarHBondContact OD1-N 3.21Å; E301-A303 VanDerWaalsContact C-N 3.35Å; E301-L305 WeakPolarHBondContact O-CD1 3.42Å; E301-L305 WeakPolarHBondContact O-CG 3.48Å
302I97.2Very high97.6Very high0 Ų023.9 Ų23.90%012%0.119CC..Hα-helixtrans-63.7-47.2171.1-67.3170.8000108.9A275 G277 K280 A281 V284 I298 D299 E304 L305 L306A275-I302 HydrophobicContact CB-CD1 3.99Å; G277-I302 WeakPolarHBondContact O-CD1 3.18Å; G277-I302 WeakPolarHBondContact O-CG1 3.34Å; K280-I302 HydrophobicContact CB-CD1 4.33Å; A281-I302 HydrophobicContact CB-CG2 4.36Å; V284-I302 HydrophobicContact CB-CG2 4.41Å; V284-I302 HydrophobicContact CG1-CG2 4.33Å; I298-I302 HydrophobicContact CB-CB 4.24Å; I298-I302 HydrophobicContact CB-CG2 4.22Å; I298-I302 HydrophobicContact CD1-CB 4.32Å; I298-I302 HydrophobicContact CD1-CG2 3.89Å; I298-I302 HydrophobicContact CG2-CD1 4.41Å; I298-I302 HydrophobicContact CG2-CG2 4.1Å; D299-I302 PolarHBondContact O-N 2.9Å; D299-I302 WeakPolarHBondContact OD1-CG1 3.44Å; D299-I302 PolarHBondContact OD1-N 2.97Å; I302-E304 VanDerWaalsContact C-N 3.3Å; I302-E304 PolarHBondContact O-N 3.36Å; I302-L305 PolarHBondContact O-N 2.7Å; I302-L306 HydrophobicContact CG2-CD1 3.96Å; I302-L306 HydrophobicContact CG2-CD2 4.49Å; I302-L306 HydrophobicContact CG2-CG 4.06Å; I302-L306 WeakPolarHBondContact O-CG 3.33Å; I302-L306 PolarHBondContact O-N 2.72Å
303A98Very high97.6Very high2 Ų224.3 Ų24.32%0.01712%0.122CC..Hα-helixtrans-58.8-39.4-173.500000113.2L63 L67 I78 I298 D299 E300 E301 L305 L306L63-A303 HydrophobicContact CD2-CB 3.45Å; L63-A303 VanDerWaalsContact CD2-CB 3.45Å; L63-A303 HydrophobicContact CG-CB 3.98Å; L67-A303 HydrophobicContact CD1-CB 4.01Å; I78-A303 HydrophobicContact CD1-CB 3.73Å; I78-A303 HydrophobicContact CG1-CB 4.22Å; I78-A303 HydrophobicContact CG2-CB 4.19Å; I298-A303 HydrophobicContact CD1-CB 3.6Å; I298-A303 HydrophobicContact CG1-CB 4.27Å; D299-A303 PolarHBondContact O-N 3.13Å; E300-A303 PolarHBondContact O-N 3.08Å; E301-A303 VanDerWaalsContact C-N 3.35Å; A303-L305 VanDerWaalsContact C-N 3.27Å; A303-L305 PolarHBondContact O-N 3.11Å; A303-L306 PolarHBondContact O-N 3.34Å
304E96.8Very high97.5Very high96 Ų9625.4 Ų25.445%0.44913%0.127SC..Hα-helixtrans-68.7-22176.7-75176.1166.600114.2H59 L63 K81 E300 I302H59-E304 IonicContact NE2-OE1 3.3Å; L63-E304 HydrophobicContact CD2-CG 4.22Å; K81-E304 WeakPolarHBondContact CE-OE2 3.44Å; K81-E304 IonicContact NZ-OE1 3.59Å; K81-E304 PolarHBondContact NZ-OE1 2.82Å; K81-E304 IonicContact NZ-OE2 2.7Å; K81-E304 PolarHBondContact NZ-OE2 3.43Å; E300-E304 HydrophobicContact CG-CG 4.49Å; E300-E304 WeakPolarHBondContact O-CG 3.29Å; E300-E304 PolarHBondContact O-N 3.22Å; I302-E304 VanDerWaalsContact C-N 3.3Å; I302-E304 PolarHBondContact O-N 3.36Å
305L97.2Very high97.4Very high106 Ų10625.7 Ų25.756%0.55513%0.127SC*.Hα-helixtrans-90.1-10.4179.9-67.4171.5000113.1K278 A281 E301 I302 A303K278-L305 HydrophobicContact CB-CD1 4.14Å; A281-L305 HydrophobicContact CB-CB 3.93Å; A281-L305 HydrophobicContact CB-CD1 3.74Å; E301-L305 WeakPolarHBondContact O-CD1 3.42Å; E301-L305 WeakPolarHBondContact O-CG 3.48Å; I302-L305 PolarHBondContact O-N 2.7Å; A303-L305 VanDerWaalsContact C-N 3.27Å; A303-L305 PolarHBondContact O-N 3.11Å
306L96.7Very high97.3Very high20 Ų2027.8 Ų27.811%0.10514%0.137CC..  trans-82.70-170.5-77.2-177.4000115.3L67 K70 Y71 V284 Q285 L288 L296 I298 I302 A303L67-L306 HydrophobicContact CD1-CD1 4.4Å; L67-L306 HydrophobicContact CD2-CB 3.65Å; L67-L306 HydrophobicContact CD2-CD1 4.2Å; K70-L306 PolarHBondContact NZ-O 2.95Å; K70-L306 PolarHBondContact NZ-OXT 3.3Å; Y71-L306 HydrophobicContact CE2-CB 4.22Å; Y71-L306 PolarHBondContact OH-OXT 3.37Å; V284-L306 HydrophobicContact CG1-CD1 4.07Å; V284-L306 HydrophobicContact CG1-CD2 4.18Å; Q285-L306 HydrophobicContact CB-CD2 3.59Å; Q285-L306 HydrophobicContact CG-CD2 3.95Å; Q285-L306 PolarHBondContact NE2-OXT 3.09Å; L288-L306 HydrophobicContact CD1-CD1 3.71Å; L288-L306 HydrophobicContact CD1-CD2 4.06Å; L288-L306 HydrophobicContact CD1-CG 4.48Å; L296-L306 HydrophobicContact CD2-CD1 4.14Å; I298-L306 HydrophobicContact CD1-CD1 3.7Å; I302-L306 HydrophobicContact CG2-CD1 3.96Å; I302-L306 HydrophobicContact CG2-CD2 4.49Å; I302-L306 HydrophobicContact CG2-CG 4.06Å; I302-L306 WeakPolarHBondContact O-CG 3.33Å; I302-L306 PolarHBondContact O-N 2.72Å; A303-L306 PolarHBondContact O-N 3.34Å

Retrieved 306 of 306 residues in 353.4 ms (Link to these results)

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