A0A087XZT9_POEFO Loading...

DEP domain containing MTOR-interacting protein

AlphaFold DB , UniProt , Accession A0A087XZT9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1S41.1Very low45.6Very low138 Ų13890.9 Ų90.997%0.96549%0.494SS*.  0-33.5055.40000113.7S4S1-S4 PolarHBondContact O-OG 3.49Å
2Q26.7Very low46.8Very low162 Ų16284.2 Ų84.276%0.75746%0.459SS*.Hα-helixtrans-71.9-27179.7-69.9178.7-5.900115.2S5 S6Q2-S5 PolarHBondContact O-OG 2.9Å; Q2-S6 PolarHBondContact O-N 3Å
3H27.5Very low48.1Very low174 Ų17480.3 Ų80.381%0.80644%0.436SS*.Hα-helixtrans-71.2-36176.7-9740.1000112.9S6 G7H3-S6 PolarHBondContact O-OG 2.69Å; H3-G7 PolarHBondContact O-N 3.15Å
4S39.5Very low49.5Very low77 Ų7775.1 Ų75.154%0.53841%0.407SS..Hα-helixtrans-71.9-39.5178.446.50000112.5S1 S6 G7 I8S1-S4 PolarHBondContact O-OG 3.49Å; S4-S6 VanDerWaalsContact C-N 3.31Å; S4-S6 PolarHBondContact O-N 2.87Å; S4-G7 PolarHBondContact O-N 2.99Å; S4-I8 WeakPolarHBondContact O-CG1 3.43Å; S4-I8 PolarHBondContact O-N 3.2Å
5S39.1Very low50.6Low53 Ų5370.5 Ų70.537%0.37138%0.382SS..Hα-helixtrans-64.8-35.8175.871.50000112.4Q2 G7 I8 E9Q2-S5 PolarHBondContact O-OG 2.9Å; S5-G7 VanDerWaalsContact C-N 3.31Å; S5-G7 PolarHBondContact O-N 3.28Å; S5-I8 PolarHBondContact O-N 3.4Å; S5-E9 WeakPolarHBondContact O-CB 3.5Å; S5-E9 WeakPolarHBondContact O-CG 3.38Å; S5-E9 PolarHBondContact O-N 3.38Å
6S47Very low51.4Low38 Ų3867.2 Ų67.227%0.26637%0.365SS..Hα-helixtrans-67.9-28.1178.380.70000113.6Q2 H3 S4 R10Q2-S6 PolarHBondContact O-N 3Å; H3-S6 PolarHBondContact O-OG 2.69Å; S4-S6 VanDerWaalsContact C-N 3.31Å; S4-S6 PolarHBondContact O-N 2.87Å; S6-R10 WeakPolarHBondContact O-CB 3.26Å; S6-R10 WeakPolarHBondContact O-CD 3.33Å; S6-R10 WeakPolarHBondContact O-CG 3.37Å; S6-R10 PolarHBondContact O-N 3.19Å; S6-R10 PolarHBondContact O-NE 3.25Å
7G49.6Very low52.4Low34 Ų3463.5 Ų63.535%0.35135%0.346SS..Hα-helixtrans-74.1-47.1175.100000111.7H3 S4 S5 E9 R10 Q11H3-G7 PolarHBondContact O-N 3.15Å; S4-G7 PolarHBondContact O-N 2.99Å; S5-G7 VanDerWaalsContact C-N 3.31Å; S5-G7 PolarHBondContact O-N 3.28Å; G7-E9 PolarHBondContact O-N 3.43Å; G7-R10 PolarHBondContact O-N 2.97Å; G7-Q11 PolarHBondContact O-N 2.92Å
8I52.1Low53.4Low33 Ų3360 Ų6017%0.16933%0.327CS..Hα-helixtrans-61.8-45.1178-63.9167.9000110.5S4 S5 R10 Q11 S12S4-I8 WeakPolarHBondContact O-CG1 3.43Å; S4-I8 PolarHBondContact O-N 3.2Å; S5-I8 PolarHBondContact O-N 3.4Å; I8-R10 VanDerWaalsContact C-N 3.31Å; I8-R10 PolarHBondContact O-N 3.12Å; I8-Q11 PolarHBondContact O-N 3.19Å; I8-S12 WeakPolarHBondContact O-CB 3.44Å; I8-S12 PolarHBondContact O-N 3.2Å; I8-S12 PolarHBondContact O-OG 2.85Å
9E54.3Low54.3Low56 Ų5656.9 Ų56.926%0.26231%0.31SS..Hα-helixtrans-61.7-36.9176.1-77.2177.3-164.800112.6S5 G7 H13 R199S5-E9 WeakPolarHBondContact O-CB 3.5Å; S5-E9 WeakPolarHBondContact O-CG 3.38Å; S5-E9 PolarHBondContact O-N 3.38Å; G7-E9 PolarHBondContact O-N 3.43Å; E9-H13 VanDerWaalsContact O-CB 3.23Å; E9-H13 WeakPolarHBondContact O-CB 3.36Å; E9-H13 PolarHBondContact O-N 3.11Å; E9-R199 IonicContact OE1-CZ 2.65Å; E9-R199 IonicContact OE1-NH1 2.97Å; E9-R199 PolarHBondContact OE1-NH1 3.41Å; E9-R199 IonicContact OE1-NH2 3.93Å
10R61.2Low54.9Low163 Ų16356.6 Ų56.662%0.61531%0.31SS*.Hα-helixtrans-69.7-45.6177.7-76.4171.6-158.5-154.36.9112S6 G7 I8 S12 H13 F14S6-R10 WeakPolarHBondContact O-CB 3.26Å; S6-R10 WeakPolarHBondContact O-CD 3.33Å; S6-R10 WeakPolarHBondContact O-CG 3.37Å; S6-R10 PolarHBondContact O-N 3.19Å; S6-R10 PolarHBondContact O-NE 3.25Å; G7-R10 PolarHBondContact O-N 2.97Å; I8-R10 VanDerWaalsContact C-N 3.31Å; I8-R10 PolarHBondContact O-N 3.12Å; R10-S12 VanDerWaalsContact C-N 3.34Å; R10-H13 PolarHBondContact O-N 3.38Å; R10-F14 WeakPolarHBondContact O-CB 3.38Å; R10-F14 PolarHBondContact O-N 2.96Å
11Q63.8Low55.8Low72 Ų7254.2 Ų54.234%0.33630%0.297SS..Hα-helixtrans-63.8-43176.8-171.9172.6-7.300110.5G7 I8 H13 F14 L15 D108G7-Q11 PolarHBondContact O-N 2.92Å; I8-Q11 PolarHBondContact O-N 3.19Å; Q11-H13 PolarHBondContact O-N 2.82Å; Q11-F14 PolarHBondContact O-N 3.29Å; Q11-L15 HydrophobicContact CG-CD1 4.25Å; Q11-L15 WeakPolarHBondContact O-CB 3.3Å; Q11-L15 VanDerWaalsContact O-CG 3.24Å; Q11-L15 WeakPolarHBondContact O-CG 3.32Å; Q11-L15 PolarHBondContact O-N 3.15Å; Q11-D108 PolarHBondContact NE2-OD2 2.92Å
12S60.1Low57.7Low10 Ų1049.2 Ų49.27%0.0726%0.257CS..Hα-helixtrans-56.4-48.1172.9-64.40000112.3I8 R10 F14 L15 C16 F114I8-S12 WeakPolarHBondContact O-CB 3.44Å; I8-S12 PolarHBondContact O-N 3.2Å; I8-S12 PolarHBondContact O-OG 2.85Å; R10-S12 VanDerWaalsContact C-N 3.34Å; S12-F14 VanDerWaalsContact C-N 3.34Å; S12-F14 PolarHBondContact O-N 2.63Å; S12-L15 PolarHBondContact O-N 3.01Å; S12-C16 WeakPolarHBondContact O-CB 3.31Å; S12-C16 PolarHBondContact O-N 3.48Å; S12-F114 VanDerWaalsContact CB-CD2 3.43Å; S12-F114 VanDerWaalsContact CB-CE2 3.44Å; S12-F114 WeakPolarHBondContact O-CE1 3.11Å; S12-F114 WeakPolarHBondContact O-CZ 3.47Å; S12-F114 WeakPolarHBondContact OG-CD2 3.32Å
13H63.1Low59.8Low34 Ų3444.9 Ų44.916%0.15724%0.239CC..Hα-helixtrans-61.8-43177.7-179.6-110.6000112.5E9 R10 Q11 C16 C17 R206E9-H13 VanDerWaalsContact O-CB 3.23Å; E9-H13 WeakPolarHBondContact O-CB 3.36Å; E9-H13 PolarHBondContact O-N 3.11Å; R10-H13 PolarHBondContact O-N 3.38Å; Q11-H13 PolarHBondContact O-N 2.82Å; H13-C16 PolarHBondContact O-N 3.42Å; H13-C17 PolarHBondContact O-N 3.31Å; H13-C17 PolarHBondContact O-SG 2.65Å; H13-R206 PolarHBondContact CD2-NH1 3.3Å; H13-R206 WeakPolarHBondContact NE2-CD 3.42Å; H13-R206 PolarHBondContact NE2-NH1 3.45Å
14F67.9Low62.2Low8 Ų839.2 Ų39.24%0.03521%0.21CC..Hα-helixtrans-64.9-45.1179.8-167.5-84.7000111.5R10 Q11 S12 S18 K72 L73 Q76 I78 L211R10-F14 WeakPolarHBondContact O-CB 3.38Å; R10-F14 PolarHBondContact O-N 2.96Å; Q11-F14 PolarHBondContact O-N 3.29Å; S12-F14 VanDerWaalsContact C-N 3.34Å; S12-F14 PolarHBondContact O-N 2.63Å; F14-S18 WeakPolarHBondContact O-CB 3.34Å; F14-S18 PolarHBondContact O-N 2.86Å; F14-S18 PolarHBondContact O-OG 3.49Å; F14-K72 HydrophobicContact CE2-CB 4.22Å; F14-K72 HydrophobicContact CE2-CD 3.73Å; F14-K72 HydrophobicContact CE2-CG 3.59Å; F14-K72 HydrophobicContact CZ-CB 4.12Å; F14-K72 HydrophobicContact CZ-CD 4.4Å; F14-K72 HydrophobicContact CZ-CG 3.75Å; F14-L73 HydrophobicContact CD1-CD2 4.36Å; F14-L73 HydrophobicContact CE1-CD2 3.53Å; F14-L73 HydrophobicContact CE1-CG 4.48Å; F14-L73 HydrophobicContact CZ-CD2 3.64Å; F14-L73 HydrophobicContact CZ-CG 4.21Å; F14-Q76 HydrophobicContact CE1-CB 3.85Å; F14-Q76 HydrophobicContact CE1-CG 3.98Å; F14-Q76 VanDerWaalsContact CG-OE1 3.27Å; F14-Q76 HydrophobicContact CZ-CB 4.42Å; F14-Q76 HydrophobicContact CZ-CG 4.19Å; F14-I78 HydrophobicContact CD1-CD1 3.41Å; F14-I78 VanDerWaalsContact CD1-CD1 3.41Å; F14-I78 HydrophobicContact CE1-CD1 3.36Å; F14-I78 HydrophobicContact CE1-CG1 4.18Å; F14-L211 HydrophobicContact CB-CD2 4.24Å; F14-L211 HydrophobicContact CD2-CB 4.13Å; F14-L211 HydrophobicContact CD2-CD1 4.13Å; F14-L211 HydrophobicContact CD2-CD2 3.47Å; F14-L211 VanDerWaalsContact CD2-CD2 3.47Å; F14-L211 HydrophobicContact CD2-CG 4.11Å; F14-L211 HydrophobicContact CE2-CB 3.94Å; F14-L211 HydrophobicContact CE2-CD1 3.87Å; F14-L211 HydrophobicContact CE2-CD2 4.03Å; F14-L211 HydrophobicContact CE2-CG 4.16Å; F14-L211 HydrophobicContact CG-CD2 4.03Å; F14-L211 HydrophobicContact CZ-CD1 4.38Å
15L66.6Low64.2Low6 Ų635.8 Ų35.83%0.03119%0.186CC..Hα-helixtrans-60.2-49.9173.6-69.5172.1000111.3Q11 S12 C17 S18 F19 I78 F105 A111 F114Q11-L15 HydrophobicContact CG-CD1 4.25Å; Q11-L15 WeakPolarHBondContact O-CB 3.3Å; Q11-L15 VanDerWaalsContact O-CG 3.24Å; Q11-L15 WeakPolarHBondContact O-CG 3.32Å; Q11-L15 PolarHBondContact O-N 3.15Å; S12-L15 PolarHBondContact O-N 3.01Å; L15-C17 PolarHBondContact O-N 3.38Å; L15-S18 PolarHBondContact O-N 2.77Å; L15-S18 PolarHBondContact O-OG 3.28Å; L15-F19 HydrophobicContact CB-CD2 4.18Å; L15-F19 HydrophobicContact CB-CE2 3.9Å; L15-F19 HydrophobicContact CD2-CE2 3.82Å; L15-F19 HydrophobicContact CD2-CZ 4.27Å; L15-F19 HydrophobicContact CG-CE2 4.41Å; L15-F19 WeakPolarHBondContact O-CD2 3.4Å; L15-F19 PolarHBondContact O-N 2.96Å; L15-I78 HydrophobicContact CD2-CD1 3.75Å; L15-I78 HydrophobicContact CD2-CG1 4.39Å; L15-F105 HydrophobicContact CD2-CE1 4.02Å; L15-F105 HydrophobicContact CD2-CE2 4.38Å; L15-F105 HydrophobicContact CD2-CZ 3.42Å; L15-F105 VanDerWaalsContact CD2-CZ 3.42Å; L15-A111 HydrophobicContact CD1-CB 3.87Å; L15-F114 HydrophobicContact CB-CD1 4.09Å; L15-F114 HydrophobicContact CB-CE1 4.11Å; L15-F114 HydrophobicContact CD1-CD1 4.47Å
16C63.4Low66.1Low17 Ų1735.8 Ų35.812%0.11518%0.18CC..Hα-helixtrans-54-52.5178.8-160.70000112.3S12 H13 S18 F19 V20 F114S12-C16 WeakPolarHBondContact O-CB 3.31Å; S12-C16 PolarHBondContact O-N 3.48Å; H13-C16 PolarHBondContact O-N 3.42Å; C16-S18 VanDerWaalsContact C-N 3.3Å; C16-S18 PolarHBondContact O-N 2.74Å; C16-F19 PolarHBondContact O-N 2.93Å; C16-V20 WeakPolarHBondContact O-CB 3.41Å; C16-V20 VanDerWaalsContact O-CG2 3.29Å; C16-V20 WeakPolarHBondContact O-CG2 3.37Å; C16-V20 PolarHBondContact O-N 3.36Å; C16-F114 HydrophobicContact CB-CE1 3.98Å; C16-F114 HydrophobicContact CB-CZ 3.63Å
17C67.6Low67.3Low5 Ų541.3 Ų41.33%0.03420%0.201CC..Hα-helixtrans-62.3-40.7-178.6-66.90000111.2H13 L15 S21 L211H13-C17 PolarHBondContact O-N 3.31Å; H13-C17 PolarHBondContact O-SG 2.65Å; L15-C17 PolarHBondContact O-N 3.38Å; C17-S21 VanDerWaalsContact O-CB 3.26Å; C17-S21 WeakPolarHBondContact O-CB 3.4Å; C17-S21 PolarHBondContact O-N 3.17Å; C17-S21 PolarHBondContact O-OG 3.19Å; C17-L211 HydrophobicContact CB-CD1 4.49Å; C17-L211 HydrophobicContact CB-CD2 3.96Å
18S71.3Confident68.7Low0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-65.4-41.817976.90000112.6F14 L15 C16 S21 R22 I78F14-S18 WeakPolarHBondContact O-CB 3.34Å; F14-S18 PolarHBondContact O-N 2.86Å; F14-S18 PolarHBondContact O-OG 3.49Å; L15-S18 PolarHBondContact O-N 2.77Å; L15-S18 PolarHBondContact O-OG 3.28Å; C16-S18 VanDerWaalsContact C-N 3.3Å; C16-S18 PolarHBondContact O-N 2.74Å; S18-S21 PolarHBondContact O-N 3.44Å; S18-R22 WeakPolarHBondContact O-CB 3.47Å; S18-R22 PolarHBondContact O-N 3.49Å; S18-I78 WeakPolarHBondContact OG-CD1 3.42Å
19F69.3Low70.2Confident1 Ų147.7 Ų47.70%0.00423%0.23CC..Hα-helixtrans-75.2-38.9-178.8-69.5-53.8000113.2L15 C16 S21 R22 L23 K100 F105 M115L15-F19 HydrophobicContact CB-CD2 4.18Å; L15-F19 HydrophobicContact CB-CE2 3.9Å; L15-F19 HydrophobicContact CD2-CE2 3.82Å; L15-F19 HydrophobicContact CD2-CZ 4.27Å; L15-F19 HydrophobicContact CG-CE2 4.41Å; L15-F19 WeakPolarHBondContact O-CD2 3.4Å; L15-F19 PolarHBondContact O-N 2.96Å; C16-F19 PolarHBondContact O-N 2.93Å; F19-S21 VanDerWaalsContact C-N 3.28Å; F19-S21 PolarHBondContact O-N 2.85Å; F19-R22 WeakPolarHBondContact O-CB 3.49Å; F19-R22 PolarHBondContact O-N 3.19Å; F19-L23 WeakPolarHBondContact O-CG 3.18Å; F19-L23 PolarHBondContact O-N 3.11Å; F19-K100 HydrophobicContact CD1-CD 3.44Å; F19-K100 VanDerWaalsContact CD1-CD 3.44Å; F19-K100 HydrophobicContact CE1-CB 3.79Å; F19-K100 HydrophobicContact CE1-CD 3.21Å; F19-K100 HydrophobicContact CE1-CG 4.08Å; F19-K100 HydrophobicContact CG-CD 4.47Å; F19-K100 HydrophobicContact CZ-CD 4.07Å; F19-F105 HydrophobicContact CE2-CE1 4.48Å; F19-F105 HydrophobicContact CZ-CD1 4.17Å; F19-F105 AromaticContact CZ-CE1 3.84Å; F19-F105 HydrophobicContact CZ-CE1 3.84Å; F19-F105 HydrophobicContact CZ-CZ 4.2Å; F19-M115 HydrophobicContact CD1-CE 4.16Å; F19-M115 HydrophobicContact CD2-CE 3.76Å; F19-M115 HydrophobicContact CD2-SD 3.3Å; F19-M115 WeakPolarHBondContact CD2-SD 3.44Å; F19-M115 HydrophobicContact CE1-CE 4.05Å; F19-M115 HydrophobicContact CE2-CE 3.61Å; F19-M115 HydrophobicContact CE2-CG 4.35Å; F19-M115 HydrophobicContact CE2-SD 3.16Å; F19-M115 WeakPolarHBondContact CE2-SD 3.46Å; F19-M115 HydrophobicContact CG-CE 4.05Å; F19-M115 HydrophobicContact CG-SD 4.14Å; F19-M115 HydrophobicContact CZ-CE 3.76Å; F19-M115 HydrophobicContact CZ-SD 3.9Å
20V67.6Low71.9Confident51 Ų5145.6 Ų45.631%0.30922%0.221SC..Hα-helixtrans-62.1-42172.51720000109.9C16 L23 R24C16-V20 WeakPolarHBondContact O-CB 3.41Å; C16-V20 VanDerWaalsContact O-CG2 3.29Å; C16-V20 WeakPolarHBondContact O-CG2 3.37Å; C16-V20 PolarHBondContact O-N 3.36Å; V20-L23 PolarHBondContact O-N 2.98Å; V20-R24 PolarHBondContact O-N 3.48Å
21S73.8Confident73.2Confident6 Ų638.1 Ų38.14%0.04219%0.193CC..Hα-helixtrans-63.9-43.3175.1-59.10000111.7C17 S18 F19 L23 R24 L25 L208C17-S21 VanDerWaalsContact O-CB 3.26Å; C17-S21 WeakPolarHBondContact O-CB 3.4Å; C17-S21 PolarHBondContact O-N 3.17Å; C17-S21 PolarHBondContact O-OG 3.19Å; S18-S21 PolarHBondContact O-N 3.44Å; F19-S21 VanDerWaalsContact C-N 3.28Å; F19-S21 PolarHBondContact O-N 2.85Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 3.26Å; S21-R24 PolarHBondContact O-N 2.87Å; S21-L25 VanDerWaalsContact O-CG 3.25Å; S21-L25 WeakPolarHBondContact O-CG 3.22Å; S21-L25 PolarHBondContact O-N 2.85Å; S21-L208 WeakPolarHBondContact OG-CD1 3.36Å; S21-L208 WeakPolarHBondContact OG-CD2 3.46Å; S21-L208 VanDerWaalsContact OG-CG 3.25Å; S21-L208 WeakPolarHBondContact OG-CG 3.42Å
22R79.4Confident74.3Confident33 Ų3339.5 Ų39.513%0.12520%0.198CC..Hα-helixtrans-53.9-46.8173.6174.1-174.1158.2-80.31111.8S18 F19 R24 L25 H26 I31 F98 D101S18-R22 WeakPolarHBondContact O-CB 3.47Å; S18-R22 PolarHBondContact O-N 3.49Å; F19-R22 WeakPolarHBondContact O-CB 3.49Å; F19-R22 PolarHBondContact O-N 3.19Å; R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 3.31Å; R22-L25 PolarHBondContact O-N 3.23Å; R22-H26 PolarHBondContact O-CD2 3.03Å; R22-H26 VanDerWaalsContact O-CD2 3.3Å; R22-H26 PolarHBondContact O-N 3.41Å; R22-I31 HydrophobicContact CG-CD1 3.89Å; R22-F98 HydrophobicContact CB-CD1 4.08Å; R22-F98 HydrophobicContact CB-CD2 4.29Å; R22-F98 HydrophobicContact CB-CE1 3.91Å; R22-F98 HydrophobicContact CB-CE2 4.15Å; R22-F98 HydrophobicContact CB-CG 4.27Å; R22-F98 HydrophobicContact CB-CZ 3.95Å; R22-F98 HydrophobicContact CG-CD1 4.29Å; R22-F98 HydrophobicContact CG-CD2 4.02Å; R22-F98 HydrophobicContact CG-CE2 4.32Å; R22-F98 HydrophobicContact CG-CG 4.02Å; R22-D101 IonicContact CZ-OD1 3.3Å; R22-D101 VanDerWaalsContact NE-CG 3.3Å; R22-D101 IonicContact NE-OD1 3.18Å; R22-D101 PolarHBondContact NE-OD1 3.44Å; R22-D101 IonicContact NE-OD2 2.88Å; R22-D101 PolarHBondContact NE-OD2 2.85Å; R22-D101 IonicContact NH2-OD1 2.69Å; R22-D101 PolarHBondContact NH2-OD1 3.38Å
23L71.2Confident75.4Confident72 Ų7243.5 Ų43.538%0.37722%0.219SC..Hα-helixtrans-59.3-45.5178.7-70173.1000111.7F19 V20 S21 L25 H26 E27F19-L23 WeakPolarHBondContact O-CG 3.18Å; F19-L23 PolarHBondContact O-N 3.11Å; V20-L23 PolarHBondContact O-N 2.98Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 3.26Å; L23-L25 VanDerWaalsContact C-N 3.29Å; L23-L25 PolarHBondContact O-N 3.03Å; L23-H26 WeakPolarHBondContact O-CB 3.13Å; L23-H26 PolarHBondContact O-N 3.13Å; L23-H26 VanDerWaalsContact O-N 3.12Å; L23-E27 WeakPolarHBondContact O-CG 3.29Å; L23-E27 PolarHBondContact O-N 3.37Å
24R77.4Confident76.3Confident55 Ų5543.2 Ų43.221%0.20822%0.216CC..Hα-helixtrans-64-33.5176.6-70.8174.859.8-160.9-4.5113.2V20 S21 R22 H26 E27 G28 W53 E59V20-R24 PolarHBondContact O-N 3.48Å; S21-R24 PolarHBondContact O-N 2.87Å; R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 3.31Å; R24-H26 VanDerWaalsContact C-N 3.35Å; R24-E27 PolarHBondContact O-N 3.49Å; R24-G28 PolarHBondContact O-N 3.12Å; R24-W53 HydrophobicContact CB-CH2 3.99Å; R24-W53 HydrophobicContact CB-CZ2 4.24Å; R24-E59 IonicContact CZ-OE1 3.71Å; R24-E59 VanDerWaalsContact CZ-OE1 3.26Å; R24-E59 IonicContact NH1-OE1 3.41Å; R24-E59 PolarHBondContact NH1-OE1 3.26Å; R24-E59 IonicContact NH1-OE2 3.77Å; R24-E59 IonicContact NH2-OE1 3.69Å; R24-E59 PolarHBondContact NH2-OE1 2.93Å
25L83.4Confident76.5Confident4 Ų450.3 Ų50.32%0.02124%0.243CC..Hα-helixtrans-70.9-32175.4-67.4170.7000112.2S21 R22 L23 K29 V30 I31 L50 W53 F98S21-L25 VanDerWaalsContact O-CG 3.25Å; S21-L25 WeakPolarHBondContact O-CG 3.22Å; S21-L25 PolarHBondContact O-N 2.85Å; R22-L25 PolarHBondContact O-N 3.23Å; L23-L25 VanDerWaalsContact C-N 3.29Å; L23-L25 PolarHBondContact O-N 3.03Å; L25-K29 PolarHBondContact O-N 3.2Å; L25-V30 HydrophobicContact CB-CB 4.28Å; L25-V30 HydrophobicContact CD2-CB 3.87Å; L25-V30 HydrophobicContact CD2-CG1 3.98Å; L25-V30 HydrophobicContact CD2-CG2 4.03Å; L25-V30 PolarHBondContact O-N 3.34Å; L25-I31 HydrophobicContact CB-CD1 3.58Å; L25-I31 HydrophobicContact CB-CG1 3.77Å; L25-I31 HydrophobicContact CD1-CD1 4.29Å; L25-I31 PolarHBondContact O-N 2.92Å; L25-L50 HydrophobicContact CD1-CD1 3.6Å; L25-L50 HydrophobicContact CD2-CD1 3.34Å; L25-L50 HydrophobicContact CG-CD1 4.12Å; L25-W53 HydrophobicContact CD2-CD2 3.64Å; L25-W53 HydrophobicContact CD2-CE3 3.44Å; L25-W53 VanDerWaalsContact CD2-CE3 3.44Å; L25-W53 HydrophobicContact CD2-CG 4.29Å; L25-W53 HydrophobicContact CD2-CH2 4.07Å; L25-W53 HydrophobicContact CD2-CZ2 4.24Å; L25-W53 HydrophobicContact CD2-CZ3 3.68Å; L25-W53 HydrophobicContact CG-CZ3 4.37Å; L25-F98 HydrophobicContact CD1-CE2 3.9Å; L25-F98 HydrophobicContact CD1-CZ 4.1Å
26H78.3Confident76.5Confident53 Ų5354.3 Ų54.325%0.24526%0.261CS..Hα-helixtrans-67.5-50168.8-85.5-79.8000111R22 L23 R24 G28 K29 I31 D101R22-H26 PolarHBondContact O-CD2 3.03Å; R22-H26 VanDerWaalsContact O-CD2 3.3Å; R22-H26 PolarHBondContact O-N 3.41Å; L23-H26 WeakPolarHBondContact O-CB 3.13Å; L23-H26 PolarHBondContact O-N 3.13Å; L23-H26 VanDerWaalsContact O-N 3.12Å; R24-H26 VanDerWaalsContact C-N 3.35Å; H26-G28 VanDerWaalsContact C-N 3.32Å; H26-G28 PolarHBondContact O-N 3.15Å; H26-K29 PolarHBondContact O-N 3.03Å; H26-I31 WeakPolarHBondContact CE1-CG2 3.46Å; H26-I31 WeakPolarHBondContact NE2-CG2 2.95Å; H26-D101 IonicContact CE1-OD1 3.85Å; H26-D101 IonicContact NE2-OD1 3.45Å; H26-D101 PolarHBondContact NE2-OD1 3.4Å; H26-D101 IonicContact NE2-OD2 2.71Å; H26-D101 PolarHBondContact NE2-OD2 2.83Å
27E72.9Confident76.8Confident155 Ų15557 Ų5772%0.72427%0.272SS*.Hα-helixtrans-58.4-43.1176.7-71.8173.318000112L23 R24 K29L23-E27 WeakPolarHBondContact O-CG 3.29Å; L23-E27 PolarHBondContact O-N 3.37Å; R24-E27 PolarHBondContact O-N 3.49Å; E27-K29 PolarHBondContact O-N 3.37Å
28G77.6Confident76.5Confident41 Ų4157.4 Ų57.442%0.42327%0.274SS..THydrogen-bonded Turntrans-74.93.3176.200000114.6R24 H26 V30R24-G28 PolarHBondContact O-N 3.12Å; H26-G28 VanDerWaalsContact C-N 3.32Å; H26-G28 PolarHBondContact O-N 3.15Å; G28-V30 PolarHBondContact O-N 3.14Å
29K84.1Confident76Confident159 Ų15962 Ų6269%0.69129%0.291SS*.THydrogen-bonded Turntrans54.723.9-178.6-57.7-178.6179.1177.60114.5L25 H26 E27 K32L25-K29 PolarHBondContact O-N 3.2Å; H26-K29 PolarHBondContact O-N 3.03Å; E27-K29 PolarHBondContact O-N 3.37Å; K29-K32 WeakPolarHBondContact O-CD 3.31Å
30V89.4Confident76.2Confident12 Ų1263.8 Ų63.87%0.07330%0.302CS..  trans-75.4-43.7171-177.10000108.9L25 G28 R34 F45 L50 W53L25-V30 HydrophobicContact CB-CB 4.28Å; L25-V30 HydrophobicContact CD2-CB 3.87Å; L25-V30 HydrophobicContact CD2-CG1 3.98Å; L25-V30 HydrophobicContact CD2-CG2 4.03Å; L25-V30 PolarHBondContact O-N 3.34Å; G28-V30 PolarHBondContact O-N 3.14Å; V30-R34 VanDerWaalsContact O-CZ 3.27Å; V30-R34 PolarHBondContact O-NH1 3.09Å; V30-R34 PolarHBondContact O-NH2 2.82Å; V30-F45 HydrophobicContact CG1-CB 4.31Å; V30-L50 HydrophobicContact CG1-CB 4.46Å; V30-L50 HydrophobicContact CG1-CD1 4.36Å; V30-W53 HydrophobicContact CG2-CB 4.2Å; V30-W53 HydrophobicContact CG2-CD2 4.33Å; V30-W53 HydrophobicContact CG2-CG 3.72Å
31I89.1Confident76.8Confident6 Ų662.9 Ų62.93%0.03129%0.293CS..SBendtrans-83.6124.8167.3-61.4166.7000108.4R22 L25 H26 N43 C44 F45 F98R22-I31 HydrophobicContact CG-CD1 3.89Å; L25-I31 HydrophobicContact CB-CD1 3.58Å; L25-I31 HydrophobicContact CB-CG1 3.77Å; L25-I31 HydrophobicContact CD1-CD1 4.29Å; L25-I31 PolarHBondContact O-N 2.92Å; H26-I31 WeakPolarHBondContact CE1-CG2 3.46Å; H26-I31 WeakPolarHBondContact NE2-CG2 2.95Å; I31-N43 HydrophobicContact CG2-CB 4.15Å; I31-C44 WeakPolarHBondContact CA-O 3.47Å; I31-F45 HydrophobicContact CG1-CB 4.38Å; I31-F45 HydrophobicContact CG1-CD1 4.11Å; I31-F98 HydrophobicContact CD1-CD2 3.7Å; I31-F98 HydrophobicContact CD1-CE2 3.74Å
32K86Confident77Confident101 Ų10165.2 Ų65.244%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-168.4165.9178.355.7-178.2174.9-161.40110.2K29 R34 C44K29-K32 WeakPolarHBondContact O-CD 3.31Å; K32-R34 HydrophobicContact CG-CG 4.35Å; K32-R34 PolarHBondContact O-N 3.05Å; K32-R34 PolarHBondContact O-NH1 3.45Å; K32-C44 PolarHBondContact N-O 3.26Å; K32-C44 PolarHBondContact O-N 2.94Å; K32-C44 VanDerWaalsContact O-N 3.15Å
33D83.1Confident77.2Confident95 Ų9566.2 Ų66.251%0.50832%0.316SS..EExtended strand (participates in β ladder)trans-63.5128.8171.6-64.12.9000109.7T40 Y41 P42 N43D33-T40 HydrophobicContact CB-CG2 4.38Å; D33-Y41 WeakPolarHBondContact CA-O 3.33Å; D33-P42 WeakPolarHBondContact OD1-CA 3.24Å; D33-P42 WeakPolarHBondContact OD1-CB 3.45Å; D33-N43 PolarHBondContact OD1-N 2.95Å
34R81.9Confident78.1Confident27 Ų2762.8 Ų62.810%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-126.6135.2175.5-64.2-179.3167.475-10.7109.7V30 K32 Y41 C44 E49 L95V30-R34 VanDerWaalsContact O-CZ 3.27Å; V30-R34 PolarHBondContact O-NH1 3.09Å; V30-R34 PolarHBondContact O-NH2 2.82Å; K32-R34 HydrophobicContact CG-CG 4.35Å; K32-R34 PolarHBondContact O-N 3.05Å; K32-R34 PolarHBondContact O-NH1 3.45Å; R34-Y41 PolarHBondContact N-O 3.4Å; R34-Y41 PolarHBondContact O-N 2.8Å; R34-C44 VanDerWaalsContact CB-SG 3.59Å; R34-C44 PolarHBondContact NH1-O 3.32Å; R34-E49 IonicContact CZ-OE2 3.71Å; R34-E49 IonicContact NE-OE2 3.69Å; R34-E49 IonicContact NH2-OE2 3.7Å; R34-E49 PolarHBondContact NH2-OE2 2.89Å; R34-L95 HydrophobicContact CB-CD2 4.35Å
35R73.5Confident78.9Confident157 Ų15760.2 Ų60.259%0.59229%0.288SS*.EExtended strand (participates in β ladder)trans-89.9125.3170.1-80.7177.6167.7-169-4.9109.2R39 T40 L353R35-R39 WeakPolarHBondContact CA-O 3.23Å; R35-T40 HydrophobicContact CG-CG2 4.26Å; R35-T40 WeakPolarHBondContact CG-OG1 3.33Å; R35-T40 PolarHBondContact NE-OG1 2.89Å; R35-L353 PolarHBondContact NH1-O 3.02Å
36H67.1Low79.4Confident90 Ų9060.8 Ų60.842%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-135.1120171.2-178.3-91.1000108.5R39 Y41 L95H36-R39 PolarHBondContact N-O 3.02Å; H36-R39 PolarHBondContact O-N 3.34Å; H36-Y41 HydrophobicContact CB-CD2 4.04Å; H36-Y41 HydrophobicContact CB-CE2 3.87Å; H36-L95 HydrophobicContact CB-CD1 3.84Å
37H69.3Low80.2Confident73 Ų7358.2 Ų58.234%0.33828%0.28SS..THydrogen-bonded Turntrans53.5-140-162.6-55.4-52.8000111.5R39 L353H37-R39 PolarHBondContact O-N 3.45Å; H37-L353 WeakPolarHBondContact O-CD1 3.49Å
38L61.7Low81.1Confident15 Ų1555.1 Ų55.18%0.07926%0.264CS..THydrogen-bonded Turntrans-82.18.5-178.8-62.3177.4000113.7F302 V304 I352 L353L38-F302 HydrophobicContact CD1-CD2 4.34Å; L38-F302 HydrophobicContact CD1-CE2 4.04Å; L38-V304 HydrophobicContact CD1-CB 4.35Å; L38-V304 HydrophobicContact CD1-CG2 4.01Å; L38-I352 HydrophobicContact CD2-CB 4.01Å; L38-I352 HydrophobicContact CD2-CG2 3.61Å; L38-L353 HydrophobicContact CB-CD2 4.49Å; L38-L353 HydrophobicContact CD2-CD1 3.92Å; L38-L353 HydrophobicContact CD2-CD2 3.88Å; L38-L353 HydrophobicContact CD2-CG 3.58Å
39R58.9Low81.9Confident96 Ų9657.5 Ų57.536%0.36226%0.264SS..EExtended strand (participates in β ladder)trans-115.1134.1-176.5-70.9-173.7179.4-151.3-3.6110.8R35 H36 H37 Y41R35-R39 WeakPolarHBondContact CA-O 3.23Å; H36-R39 PolarHBondContact N-O 3.02Å; H36-R39 PolarHBondContact O-N 3.34Å; H37-R39 PolarHBondContact O-N 3.45Å; R39-Y41 HydrophobicContact CB-CD2 4.4Å; R39-Y41 HydrophobicContact CB-CE1 4.31Å; R39-Y41 HydrophobicContact CB-CE2 3.76Å
40T74.9Confident82.4Confident38 Ų3850 Ų5023%0.23323%0.232CC..EExtended strand (participates in β ladder)trans-90.8121.7166.3-54.40000107.7D33 R35 P42D33-T40 HydrophobicContact CB-CG2 4.38Å; R35-T40 HydrophobicContact CG-CG2 4.26Å; R35-T40 WeakPolarHBondContact CG-OG1 3.33Å; R35-T40 PolarHBondContact NE-OG1 2.89Å; T40-P42 VanDerWaalsContact O-CD 3.24Å; T40-P42 WeakPolarHBondContact O-CD 3.15Å
41Y79.4Confident82.6Confident33 Ų3349.4 Ų49.413%0.12923%0.228CC..EExtended strand (participates in β ladder)trans-101.9100.5175.9-63.3-74000108.1D33 R34 H36 R39 C44 V82 L95D33-Y41 WeakPolarHBondContact CA-O 3.33Å; R34-Y41 PolarHBondContact N-O 3.4Å; R34-Y41 PolarHBondContact O-N 2.8Å; H36-Y41 HydrophobicContact CB-CD2 4.04Å; H36-Y41 HydrophobicContact CB-CE2 3.87Å; R39-Y41 HydrophobicContact CB-CD2 4.4Å; R39-Y41 HydrophobicContact CB-CE1 4.31Å; R39-Y41 HydrophobicContact CB-CE2 3.76Å; Y41-C44 PolarHBondContact O-SG 2.97Å; Y41-V82 HydrophobicContact CD1-CB 4.35Å; Y41-V82 HydrophobicContact CD1-CG1 3.1Å; Y41-V82 HydrophobicContact CE1-CG1 3.45Å; Y41-V82 VanDerWaalsContact CE1-CG1 3.45Å; Y41-V82 HydrophobicContact CG-CG1 3.89Å; Y41-L95 HydrophobicContact CD2-CD1 3.61Å; Y41-L95 HydrophobicContact CE2-CD1 4.18Å; Y41-L95 HydrophobicContact CG-CD1 4.11Å
42P77.6Confident82.7Confident54 Ų5452.3 Ų52.335%0.35124%0.244SC..EExtended strand (participates in β ladder)trans-67.1153.3-179.925.9-35000111.6D33 T40 C44 R97D33-P42 WeakPolarHBondContact OD1-CA 3.24Å; D33-P42 WeakPolarHBondContact OD1-CB 3.45Å; T40-P42 VanDerWaalsContact O-CD 3.24Å; T40-P42 WeakPolarHBondContact O-CD 3.15Å; P42-C44 PolarHBondContact O-N 3.44Å; P42-R97 VanDerWaalsContact CD-NH2 3.26Å; P42-R97 VanDerWaalsContact O-CZ 3.26Å; P42-R97 PolarHBondContact O-NE 3.47Å; P42-R97 PolarHBondContact O-NH2 3.32Å
43N84.6Confident83Confident55 Ų5548.6 Ų48.629%0.29423%0.227SC..EExtended strand (participates in β ladder)trans44.742.4170.9-60.7-45000114.5I31 D33 D101I31-N43 HydrophobicContact CG2-CB 4.15Å; D33-N43 PolarHBondContact OD1-N 2.95Å; N43-D101 HydrophobicContact CB-CB 3.66Å
44C90.6Very high83.3Confident0 Ų044.1 Ų44.10%020%0.203CC..EExtended strand (participates in β ladder)trans-107.1174.8179.366.20000110.9I31 K32 R34 Y41 P42 V82 Y96I31-C44 WeakPolarHBondContact CA-O 3.47Å; K32-C44 PolarHBondContact N-O 3.26Å; K32-C44 PolarHBondContact O-N 2.94Å; K32-C44 VanDerWaalsContact O-N 3.15Å; R34-C44 VanDerWaalsContact CB-SG 3.59Å; R34-C44 PolarHBondContact NH1-O 3.32Å; Y41-C44 PolarHBondContact O-SG 2.97Å; P42-C44 PolarHBondContact O-N 3.44Å; C44-V82 HydrophobicContact CB-CG2 4.1Å; C44-Y96 CarbonylContact C-O 3.54Å; C44-Y96 WeakPolarHBondContact CA-O 3.37Å; C44-Y96 WeakPolarHBondContact CB-O 3.11Å
45F93.7Very high83.7Confident0 Ų045.5 Ų45.50%021%0.212CC..EExtended strand (participates in β ladder)trans-140.9150.7172.559.1-93.8000111.2V30 I31 L50 M70 V79 F89 L95 Y96 F98V30-F45 HydrophobicContact CG1-CB 4.31Å; I31-F45 HydrophobicContact CG1-CB 4.38Å; I31-F45 HydrophobicContact CG1-CD1 4.11Å; F45-L50 HydrophobicContact CD2-CB 3.9Å; F45-L50 HydrophobicContact CD2-CD2 3.53Å; F45-L50 HydrophobicContact CD2-CG 4.31Å; F45-L50 HydrophobicContact CE2-CB 4.36Å; F45-L50 HydrophobicContact CE2-CD2 3.2Å; F45-L50 HydrophobicContact CE2-CG 4.38Å; F45-L50 HydrophobicContact CG-CD2 4.34Å; F45-L50 HydrophobicContact CZ-CD2 3.8Å; F45-M70 HydrophobicContact CE2-CE 4.26Å; F45-M70 HydrophobicContact CZ-CE 4.04Å; F45-V79 HydrophobicContact CE1-CG1 4.25Å; F45-V79 HydrophobicContact CZ-CG1 3.61Å; F45-V79 HydrophobicContact CZ-CG2 4.28Å; F45-F89 HydrophobicContact CE2-CE2 4.3Å; F45-L95 WeakPolarHBondContact O-CA 3.48Å; F45-Y96 WeakPolarHBondContact CD1-O 3.45Å; F45-Y96 VanDerWaalsContact CE2-CB 3.45Å; F45-Y96 HydrophobicContact CE2-CG 4.35Å; F45-Y96 PolarHBondContact N-O 3.14Å; F45-Y96 PolarHBondContact O-N 3.36Å; F45-F98 HydrophobicContact CD1-CD2 4.22Å; F45-F98 HydrophobicContact CD1-CE2 4.2Å; F45-F98 AromaticContact CE1-CD2 3.65Å; F45-F98 HydrophobicContact CE1-CD2 3.65Å; F45-F98 AromaticContact CE1-CE2 3.62Å; F45-F98 HydrophobicContact CE1-CE2 3.62Å; F45-F98 HydrophobicContact CZ-CE2 4.34Å
46V94.1Very high84.5Confident16 Ų1645.2 Ų45.210%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-85.2126.7173.1176.20000108K48 E49 L50 K93 L94 L95V46-K48 VanDerWaalsContact C-N 3.3Å; V46-K48 HydrophobicContact CG1-CB 4.38Å; V46-K48 PolarHBondContact O-N 3.2Å; V46-E49 HydrophobicContact CB-CB 4.14Å; V46-E49 HydrophobicContact CB-CG 3.91Å; V46-E49 HydrophobicContact CG1-CG 4.15Å; V46-E49 PolarHBondContact O-N 2.86Å; V46-E49 VanDerWaalsContact O-N 3.11Å; V46-L50 PolarHBondContact O-N 3.26Å; V46-K93 HydrophobicContact CG1-CB 4.46Å; V46-L94 WeakPolarHBondContact CA-O 3.23Å; V46-L95 HydrophobicContact CG2-CD2 3.7Å
47A93.6Very high85.4Confident0 Ų044.4 Ų44.40%021%0.214CC..Hα-helixtrans-53.4-46.7-176.100000112.6E49 L50 I51 F89 K90 L94 Y96A47-E49 PolarHBondContact O-N 2.68Å; A47-L50 WeakPolarHBondContact O-CB 3.39Å; A47-L50 PolarHBondContact O-N 2.82Å; A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 2.67Å; A47-F89 HydrophobicContact CB-CE1 3.98Å; A47-F89 HydrophobicContact CB-CE2 4.11Å; A47-F89 HydrophobicContact CB-CZ 3.51Å; A47-K90 WeakPolarHBondContact CB-O 3.35Å; A47-L94 PolarHBondContact N-O 2.81Å; A47-Y96 HydrophobicContact CB-CD2 3.8Å; A47-Y96 HydrophobicContact CB-CE2 3.73Å
48K93.5Very high86.1Confident90 Ų9048.5 Ų48.539%0.39123%0.23SC..Hα-helixtrans-58.3-45.5177.2-177.8165.9-176.5155.60114.3V46 L50 I51 D52 D91 M92V46-K48 VanDerWaalsContact C-N 3.3Å; V46-K48 HydrophobicContact CG1-CB 4.38Å; V46-K48 PolarHBondContact O-N 3.2Å; K48-L50 VanDerWaalsContact C-N 3.3Å; K48-L50 PolarHBondContact O-N 2.96Å; K48-I51 PolarHBondContact O-N 3.47Å; K48-D52 PolarHBondContact O-N 3.36Å; K48-D91 WeakPolarHBondContact CA-OD1 3.39Å; K48-D91 WeakPolarHBondContact CB-OD1 3.15Å; K48-D91 WeakPolarHBondContact CG-OD1 3.45Å; K48-M92 PolarHBondContact N-O 3.08Å; K48-M92 VanDerWaalsContact N-O 3.13Å
49E93.9Very high87Confident90 Ų9047.9 Ų47.942%0.42123%0.227SC..Hα-helixtrans-64.6-37.7178.7-65.6173-168.800111.2R34 V46 A47 W53R34-E49 IonicContact CZ-OE2 3.71Å; R34-E49 IonicContact NE-OE2 3.69Å; R34-E49 IonicContact NH2-OE2 3.7Å; R34-E49 PolarHBondContact NH2-OE2 2.89Å; V46-E49 HydrophobicContact CB-CB 4.14Å; V46-E49 HydrophobicContact CB-CG 3.91Å; V46-E49 HydrophobicContact CG1-CG 4.15Å; V46-E49 PolarHBondContact O-N 2.86Å; V46-E49 VanDerWaalsContact O-N 3.11Å; A47-E49 PolarHBondContact O-N 2.68Å; E49-W53 WeakPolarHBondContact O-CB 3.29Å; E49-W53 PolarHBondContact O-N 3.01Å
50L93.6Very high88.3Confident1 Ų143.6 Ų43.61%0.00521%0.212CC..Hα-helixtrans-65.2-44.4175.4175.762.5000111.8L25 V30 F45 V46 A47 K48 D52 W53 L54 M70L25-L50 HydrophobicContact CD1-CD1 3.6Å; L25-L50 HydrophobicContact CD2-CD1 3.34Å; L25-L50 HydrophobicContact CG-CD1 4.12Å; V30-L50 HydrophobicContact CG1-CB 4.46Å; V30-L50 HydrophobicContact CG1-CD1 4.36Å; F45-L50 HydrophobicContact CD2-CB 3.9Å; F45-L50 HydrophobicContact CD2-CD2 3.53Å; F45-L50 HydrophobicContact CD2-CG 4.31Å; F45-L50 HydrophobicContact CE2-CB 4.36Å; F45-L50 HydrophobicContact CE2-CD2 3.2Å; F45-L50 HydrophobicContact CE2-CG 4.38Å; F45-L50 HydrophobicContact CG-CD2 4.34Å; F45-L50 HydrophobicContact CZ-CD2 3.8Å; V46-L50 PolarHBondContact O-N 3.26Å; A47-L50 WeakPolarHBondContact O-CB 3.39Å; A47-L50 PolarHBondContact O-N 2.82Å; K48-L50 VanDerWaalsContact C-N 3.3Å; K48-L50 PolarHBondContact O-N 2.96Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 3.42Å; L50-W53 PolarHBondContact O-N 3.06Å; L50-L54 HydrophobicContact CD1-CD1 4.34Å; L50-L54 HydrophobicContact CD1-CG 4.11Å; L50-L54 HydrophobicContact CG-CD1 4.1Å; L50-L54 HydrophobicContact CG-CG 4.33Å; L50-L54 VanDerWaalsContact O-CG 3.29Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 2.9Å; L50-M70 HydrophobicContact CD2-CE 3.44Å; L50-M70 VanDerWaalsContact CD2-CE 3.44Å; L50-M70 HydrophobicContact CD2-CG 4.26Å; L50-M70 HydrophobicContact CD2-SD 3.6Å; L50-M70 HydrophobicContact CG-SD 4.46Å
51I94.3Very high88.9Confident0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-61.7-44.3178.4-66.1-66.3000110.7A47 K48 W53 L54 I55 R63 A66 I67 M70 F89 D91A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 2.67Å; K48-I51 PolarHBondContact O-N 3.47Å; I51-W53 VanDerWaalsContact C-N 3.33Å; I51-W53 PolarHBondContact O-N 3.44Å; I51-L54 HydrophobicContact CD1-CD1 4.44Å; I51-L54 PolarHBondContact O-N 3.25Å; I51-I55 HydrophobicContact CG2-CD1 4.13Å; I51-I55 WeakPolarHBondContact O-CG1 3.47Å; I51-I55 PolarHBondContact O-N 2.76Å; I51-R63 HydrophobicContact CG2-CB 4.21Å; I51-R63 HydrophobicContact CG2-CG 3.78Å; I51-A66 HydrophobicContact CD1-CB 3.45Å; I51-A66 VanDerWaalsContact CD1-CB 3.45Å; I51-A66 HydrophobicContact CG2-CB 4.17Å; I51-I67 HydrophobicContact CD1-CG1 3.99Å; I51-M70 HydrophobicContact CD1-CG 4.27Å; I51-F89 HydrophobicContact CD1-CE1 3.88Å; I51-F89 HydrophobicContact CG1-CE1 4.07Å; I51-D91 HydrophobicContact CG1-CB 4.36Å
52D92.3Very high89.5Confident68 Ų6846.9 Ų46.936%0.36424%0.237SC..Hα-helixtrans-58.2-46.4174.6-71.2-33.9000110.9K48 L50 L54 I55 E56 R63K48-D52 PolarHBondContact O-N 3.36Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 3.42Å; D52-L54 PolarHBondContact O-N 3.43Å; D52-I55 PolarHBondContact O-N 3.33Å; D52-E56 WeakPolarHBondContact O-CB 3.34Å; D52-E56 PolarHBondContact O-N 3.16Å; D52-R63 IonicContact OD1-CZ 2.82Å; D52-R63 IonicContact OD1-NH1 3.62Å; D52-R63 IonicContact OD1-NH2 3.99Å; D52-R63 PolarHBondContact OD1-NH2 3.21Å; D52-R63 IonicContact OD2-NH2 2.63Å
53W92Very high90.3Very high22 Ų2249 Ų498%0.08324%0.238CC..Hα-helixtrans-61.2-43.2177.9-173.793.4000112.7R24 L25 V30 E49 L50 I51 I55 E56 H57 E59R24-W53 HydrophobicContact CB-CH2 3.99Å; R24-W53 HydrophobicContact CB-CZ2 4.24Å; L25-W53 HydrophobicContact CD2-CD2 3.64Å; L25-W53 HydrophobicContact CD2-CE3 3.44Å; L25-W53 VanDerWaalsContact CD2-CE3 3.44Å; L25-W53 HydrophobicContact CD2-CG 4.29Å; L25-W53 HydrophobicContact CD2-CH2 4.07Å; L25-W53 HydrophobicContact CD2-CZ2 4.24Å; L25-W53 HydrophobicContact CD2-CZ3 3.68Å; L25-W53 HydrophobicContact CG-CZ3 4.37Å; V30-W53 HydrophobicContact CG2-CB 4.2Å; V30-W53 HydrophobicContact CG2-CD2 4.33Å; V30-W53 HydrophobicContact CG2-CG 3.72Å; E49-W53 WeakPolarHBondContact O-CB 3.29Å; E49-W53 PolarHBondContact O-N 3.01Å; L50-W53 PolarHBondContact O-N 3.06Å; I51-W53 VanDerWaalsContact C-N 3.33Å; I51-W53 PolarHBondContact O-N 3.44Å; W53-I55 VanDerWaalsContact C-N 3.29Å; W53-I55 PolarHBondContact O-N 3.43Å; W53-E56 PolarHBondContact O-N 3.44Å; W53-H57 AromaticContact CD1-CE1 3.32Å; W53-H57 AromaticContact CD1-ND1 3.54Å; W53-H57 AromaticContact CD2-ND1 3.62Å; W53-H57 AromaticContact CE2-CD2 3.86Å; W53-H57 AromaticContact CE2-CE1 3.58Å; W53-H57 AromaticContact CE2-CG 3.7Å; W53-H57 AromaticContact CE2-ND1 3.49Å; W53-H57 AromaticContact CE2-NE2 3.77Å; W53-H57 HydrophobicContact CE3-CB 4.46Å; W53-H57 AromaticContact CG-CE1 3.95Å; W53-H57 AromaticContact CG-ND1 3.68Å; W53-H57 HydrophobicContact CH2-CB 4.4Å; W53-H57 HydrophobicContact CZ2-CB 4.46Å; W53-H57 AromaticContact CZ2-CD2 3.78Å; W53-H57 AromaticContact CZ2-CG 3.85Å; W53-H57 HydrophobicContact CZ3-CB 4.4Å; W53-H57 AromaticContact NE1-CE1 3.08Å; W53-H57 PolarHBondContact NE1-CE1 2.96Å; W53-H57 AromaticContact NE1-ND1 3.44Å; W53-H57 PolarHBondContact NE1-ND1 3.15Å; W53-H57 AromaticContact NE1-NE2 3.43Å; W53-H57 PolarHBondContact NE1-NE2 3.3Å; W53-H57 WeakPolarHBondContact O-CB 3.29Å; W53-H57 PolarHBondContact O-N 3.43Å; W53-H57 PolarHBondContact O-ND1 3.26Å; W53-E59 HydrophobicContact CZ3-CG 4.11Å
54L88.6Confident90.7Very high1 Ų151.6 Ų51.61%0.00525%0.252CS..Hα-helixtrans-61.6-38179.6-73.4172.7000112L50 I51 D52 K58 E59 A60 A66 M70 L208L50-L54 HydrophobicContact CD1-CD1 4.34Å; L50-L54 HydrophobicContact CD1-CG 4.11Å; L50-L54 HydrophobicContact CG-CD1 4.1Å; L50-L54 HydrophobicContact CG-CG 4.33Å; L50-L54 VanDerWaalsContact O-CG 3.29Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 2.9Å; I51-L54 HydrophobicContact CD1-CD1 4.44Å; I51-L54 PolarHBondContact O-N 3.25Å; D52-L54 PolarHBondContact O-N 3.43Å; L54-K58 PolarHBondContact O-N 3.29Å; L54-E59 HydrophobicContact CB-CB 4.4Å; L54-E59 HydrophobicContact CD2-CB 3.72Å; L54-E59 HydrophobicContact CD2-CG 4.28Å; L54-E59 WeakPolarHBondContact O-CA 3.37Å; L54-E59 WeakPolarHBondContact O-CB 3.12Å; L54-E59 PolarHBondContact O-N 2.94Å; L54-A60 HydrophobicContact CB-CB 4.41Å; L54-A60 PolarHBondContact O-N 3.47Å; L54-A66 HydrophobicContact CB-CB 4.37Å; L54-A66 HydrophobicContact CD1-CB 4.09Å; L54-M70 HydrophobicContact CD1-CG 4.13Å; L54-M70 HydrophobicContact CD1-SD 4.08Å; L54-L208 HydrophobicContact CD2-CD1 3.44Å; L54-L208 VanDerWaalsContact CD2-CD1 3.44Å
55I90.6Very high90.6Very high57 Ų5752.4 Ų52.429%0.29226%0.257SS..Hα-helixtrans-72.8-48.8177.3-64.1169.6000110.2I51 D52 W53 H57 K58 R63I51-I55 HydrophobicContact CG2-CD1 4.13Å; I51-I55 WeakPolarHBondContact O-CG1 3.47Å; I51-I55 PolarHBondContact O-N 2.76Å; D52-I55 PolarHBondContact O-N 3.33Å; W53-I55 VanDerWaalsContact C-N 3.29Å; W53-I55 PolarHBondContact O-N 3.43Å; I55-H57 PolarHBondContact O-N 2.8Å; I55-K58 PolarHBondContact O-N 3.3Å; I55-R63 HydrophobicContact CD1-CB 4.28Å; I55-R63 HydrophobicContact CD1-CG 3.48Å; I55-R63 VanDerWaalsContact CD1-CG 3.48Å
56E90.8Very high90.4Very high150 Ų15052.4 Ų52.470%0.70126%0.257SS*.Hα-helixtrans-56.4-39180-175.8177.3-164.500112D52 W53 K58D52-E56 WeakPolarHBondContact O-CB 3.34Å; D52-E56 PolarHBondContact O-N 3.16Å; W53-E56 PolarHBondContact O-N 3.44Å; E56-K58 VanDerWaalsContact C-N 3.3Å; E56-K58 PolarHBondContact O-N 2.92Å
57H85.1Confident90.4Very high73 Ų7353.8 Ų53.834%0.33826%0.263SS..THydrogen-bonded Turntrans-88.66.2-179.5-66.570.3000113.7W53 I55 E59W53-H57 AromaticContact CD1-CE1 3.32Å; W53-H57 AromaticContact CD1-ND1 3.54Å; W53-H57 AromaticContact CD2-ND1 3.62Å; W53-H57 AromaticContact CE2-CD2 3.86Å; W53-H57 AromaticContact CE2-CE1 3.58Å; W53-H57 AromaticContact CE2-CG 3.7Å; W53-H57 AromaticContact CE2-ND1 3.49Å; W53-H57 AromaticContact CE2-NE2 3.77Å; W53-H57 HydrophobicContact CE3-CB 4.46Å; W53-H57 AromaticContact CG-CE1 3.95Å; W53-H57 AromaticContact CG-ND1 3.68Å; W53-H57 HydrophobicContact CH2-CB 4.4Å; W53-H57 HydrophobicContact CZ2-CB 4.46Å; W53-H57 AromaticContact CZ2-CD2 3.78Å; W53-H57 AromaticContact CZ2-CG 3.85Å; W53-H57 HydrophobicContact CZ3-CB 4.4Å; W53-H57 AromaticContact NE1-CE1 3.08Å; W53-H57 PolarHBondContact NE1-CE1 2.96Å; W53-H57 AromaticContact NE1-ND1 3.44Å; W53-H57 PolarHBondContact NE1-ND1 3.15Å; W53-H57 AromaticContact NE1-NE2 3.43Å; W53-H57 PolarHBondContact NE1-NE2 3.3Å; W53-H57 WeakPolarHBondContact O-CB 3.29Å; W53-H57 PolarHBondContact O-N 3.43Å; W53-H57 PolarHBondContact O-ND1 3.26Å; I55-H57 PolarHBondContact O-N 2.8Å; H57-E59 HydrophobicContact CB-CG 4.19Å; H57-E59 PolarHBondContact O-N 3.46Å
58K84.9Confident90.2Very high159 Ų15959.8 Ų59.869%0.69129%0.29SS*.THydrogen-bonded Turntrans57.831.8179.9-51.3179.6-178.2-1800113.4L54 I55 E56L54-K58 PolarHBondContact O-N 3.29Å; I55-K58 PolarHBondContact O-N 3.3Å; E56-K58 VanDerWaalsContact C-N 3.3Å; E56-K58 PolarHBondContact O-N 2.92Å
59E79.9Confident89.9Confident2 Ų255.5 Ų55.51%0.00927%0.271CS..SBendtrans-82.9-23.2172-62.1-58.2151.800111.9R24 W53 L54 H57 I209R24-E59 IonicContact CZ-OE1 3.71Å; R24-E59 VanDerWaalsContact CZ-OE1 3.26Å; R24-E59 IonicContact NH1-OE1 3.41Å; R24-E59 PolarHBondContact NH1-OE1 3.26Å; R24-E59 IonicContact NH1-OE2 3.77Å; R24-E59 IonicContact NH2-OE1 3.69Å; R24-E59 PolarHBondContact NH2-OE1 2.93Å; W53-E59 HydrophobicContact CZ3-CG 4.11Å; L54-E59 HydrophobicContact CB-CB 4.4Å; L54-E59 HydrophobicContact CD2-CB 3.72Å; L54-E59 HydrophobicContact CD2-CG 4.28Å; L54-E59 WeakPolarHBondContact O-CA 3.37Å; L54-E59 WeakPolarHBondContact O-CB 3.12Å; L54-E59 PolarHBondContact O-N 2.94Å; H57-E59 HydrophobicContact CB-CG 4.19Å; H57-E59 PolarHBondContact O-N 3.46Å; E59-I209 PolarHBondContact O-N 2.94Å
60A85.8Confident89.8Confident6 Ų651.4 Ų51.45%0.0525%0.252CS..SBendtrans-133.9150.6169.900000110.3L54 T65 A66 I69L54-A60 HydrophobicContact CB-CB 4.41Å; L54-A60 PolarHBondContact O-N 3.47Å; A60-T65 HydrophobicContact CB-CG2 4.28Å; A60-A66 HydrophobicContact CB-CB 3.62Å; A60-I69 HydrophobicContact CB-CD1 4.19Å
61S88.7Confident89.7Confident81 Ų8153.3 Ų53.357%0.56626%0.26SS*.SBendtrans-74.4-31.6177.246.20000113.2T65S61-T65 PolarHBondContact OG-OG1 2.91Å
62D92.4Very high89.3Confident60 Ų6055.6 Ų55.632%0.32127%0.27SS..SBendtrans-160.1172.2-171.956.774.6000110.5D64 T65 A66D62-D64 WeakPolarHBondContact OD1-CB 3.42Å; D62-D64 PolarHBondContact OD1-N 3.47Å; D62-D64 VanDerWaalsContact OD1-N 3.1Å; D62-T65 VanDerWaalsContact CG-OG1 3.25Å; D62-T65 PolarHBondContact O-N 2.82Å; D62-T65 VanDerWaalsContact OD1-CB 3.31Å; D62-T65 WeakPolarHBondContact OD1-CB 3.33Å; D62-T65 PolarHBondContact OD1-N 2.63Å; D62-T65 PolarHBondContact OD1-OG1 2.89Å; D62-T65 PolarHBondContact OD2-OG1 2.89Å; D62-A66 WeakPolarHBondContact O-CB 3.44Å; D62-A66 PolarHBondContact O-N 2.84Å
63R94.2Very high89Confident97 Ų9752.4 Ų52.437%0.36625%0.254SS..Hα-helixtrans-62.5-42.1-178.5-75.2-172132.298.47.2112.6I51 D52 I55 T65 A66 I67 D91I51-R63 HydrophobicContact CG2-CB 4.21Å; I51-R63 HydrophobicContact CG2-CG 3.78Å; D52-R63 IonicContact OD1-CZ 2.82Å; D52-R63 IonicContact OD1-NH1 3.62Å; D52-R63 IonicContact OD1-NH2 3.99Å; D52-R63 PolarHBondContact OD1-NH2 3.21Å; D52-R63 IonicContact OD2-NH2 2.63Å; I55-R63 HydrophobicContact CD1-CB 4.28Å; I55-R63 HydrophobicContact CD1-CG 3.48Å; I55-R63 VanDerWaalsContact CD1-CG 3.48Å; R63-T65 PolarHBondContact O-N 3.24Å; R63-A66 PolarHBondContact O-N 2.86Å; R63-I67 VanDerWaalsContact O-CG1 3.25Å; R63-I67 WeakPolarHBondContact O-CG1 3.44Å; R63-I67 PolarHBondContact O-N 2.77Å; R63-D91 WeakPolarHBondContact CD-OD2 3.44Å; R63-D91 IonicContact CZ-OD2 3.85Å; R63-D91 IonicContact NE-OD2 3.73Å; R63-D91 PolarHBondContact NE-OD2 3.04Å; R63-D91 IonicContact NH2-OD2 3.67Å
64D93.1Very high88.8Confident110 Ų11052.4 Ų52.459%0.58826%0.255SS*.Hα-helixtrans-64.7-42.4-178.5-69.6-63.8000111.5D62 I67 K68D62-D64 WeakPolarHBondContact OD1-CB 3.42Å; D62-D64 PolarHBondContact OD1-N 3.47Å; D62-D64 VanDerWaalsContact OD1-N 3.1Å; D64-I67 PolarHBondContact O-N 2.88Å; D64-K68 VanDerWaalsContact O-CG 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.47Å; D64-K68 PolarHBondContact O-N 2.71Å
65T88.4Confident88.6Confident18 Ų1857.4 Ų57.411%0.1128%0.282CS..Hα-helixtrans-61.4-44.8174.3-63.30000110.7A60 S61 D62 R63 K68 I69 I209 L212A60-T65 HydrophobicContact CB-CG2 4.28Å; S61-T65 PolarHBondContact OG-OG1 2.91Å; D62-T65 VanDerWaalsContact CG-OG1 3.25Å; D62-T65 PolarHBondContact O-N 2.82Å; D62-T65 VanDerWaalsContact OD1-CB 3.31Å; D62-T65 WeakPolarHBondContact OD1-CB 3.33Å; D62-T65 PolarHBondContact OD1-N 2.63Å; D62-T65 PolarHBondContact OD1-OG1 2.89Å; D62-T65 PolarHBondContact OD2-OG1 2.89Å; R63-T65 PolarHBondContact O-N 3.24Å; T65-K68 PolarHBondContact O-N 3.23Å; T65-I69 HydrophobicContact CG2-CD1 4.23Å; T65-I69 VanDerWaalsContact O-CG1 3.32Å; T65-I69 WeakPolarHBondContact O-CG1 3.36Å; T65-I69 PolarHBondContact O-N 3.35Å; T65-I209 HydrophobicContact CG2-CD1 3.9Å; T65-I209 HydrophobicContact CG2-CG1 4.07Å; T65-L212 HydrophobicContact CG2-CD1 3.51Å
66A89.3Confident88Confident0 Ų058.7 Ų58.70%029%0.286CS..Hα-helixtrans-62.7-42.7176.200000112I51 L54 A60 D62 R63 K68 I69 M70I51-A66 HydrophobicContact CD1-CB 3.45Å; I51-A66 VanDerWaalsContact CD1-CB 3.45Å; I51-A66 HydrophobicContact CG2-CB 4.17Å; L54-A66 HydrophobicContact CB-CB 4.37Å; L54-A66 HydrophobicContact CD1-CB 4.09Å; A60-A66 HydrophobicContact CB-CB 3.62Å; D62-A66 WeakPolarHBondContact O-CB 3.44Å; D62-A66 PolarHBondContact O-N 2.84Å; R63-A66 PolarHBondContact O-N 2.86Å; A66-K68 PolarHBondContact O-N 3.29Å; A66-I69 PolarHBondContact O-N 3.21Å; A66-M70 WeakPolarHBondContact O-CG 3.49Å; A66-M70 PolarHBondContact O-N 3.04Å
67I93Very high87.4Confident44 Ų4453.7 Ų53.723%0.22627%0.268CS..Hα-helixtrans-61.4-44.4175.3-68.4162.9000110.6I51 R63 D64 I69 M70 Q71 F89 D91I51-I67 HydrophobicContact CD1-CG1 3.99Å; R63-I67 VanDerWaalsContact O-CG1 3.25Å; R63-I67 WeakPolarHBondContact O-CG1 3.44Å; R63-I67 PolarHBondContact O-N 2.77Å; D64-I67 PolarHBondContact O-N 2.88Å; I67-I69 PolarHBondContact O-N 3.09Å; I67-M70 PolarHBondContact O-N 3.22Å; I67-Q71 WeakPolarHBondContact O-CB 3.27Å; I67-Q71 PolarHBondContact O-N 3.47Å; I67-F89 HydrophobicContact CG2-CD1 4.38Å; I67-D91 HydrophobicContact CD1-CB 3.81Å; I67-D91 HydrophobicContact CG1-CB 4.13Å
68K90.9Very high87.3Confident127 Ų12750.3 Ų50.355%0.55225%0.253SS*.Hα-helixtrans-60.9-42.3177.1-72.6170-175.1172.20112.5D64 T65 A66 M70 Q71 K72 L212D64-K68 VanDerWaalsContact O-CG 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.47Å; D64-K68 PolarHBondContact O-N 2.71Å; T65-K68 PolarHBondContact O-N 3.23Å; A66-K68 PolarHBondContact O-N 3.29Å; K68-M70 VanDerWaalsContact C-N 3.35Å; K68-Q71 PolarHBondContact O-N 2.94Å; K68-K72 PolarHBondContact O-N 2.93Å; K68-L212 HydrophobicContact CB-CD1 4.42Å; K68-L212 HydrophobicContact CB-CD2 3.8Å
69I86.6Confident87.4Confident0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-58.6-50.3174.5-71.1163.9000109.7A60 T65 A66 I67 K72 L73 L208 I209 L211 L212A60-I69 HydrophobicContact CB-CD1 4.19Å; T65-I69 HydrophobicContact CG2-CD1 4.23Å; T65-I69 VanDerWaalsContact O-CG1 3.32Å; T65-I69 WeakPolarHBondContact O-CG1 3.36Å; T65-I69 PolarHBondContact O-N 3.35Å; A66-I69 PolarHBondContact O-N 3.21Å; I67-I69 PolarHBondContact O-N 3.09Å; I69-K72 WeakPolarHBondContact O-CB 3.32Å; I69-K72 PolarHBondContact O-N 3.02Å; I69-L73 PolarHBondContact O-N 2.95Å; I69-L73 VanDerWaalsContact O-N 3.08Å; I69-L208 HydrophobicContact CD1-CB 4.17Å; I69-L208 HydrophobicContact CG2-CB 3.85Å; I69-L208 HydrophobicContact CG2-CD1 4.4Å; I69-L208 HydrophobicContact CG2-CD2 4.29Å; I69-L208 HydrophobicContact CG2-CG 4.42Å; I69-I209 HydrophobicContact CD1-CB 4.39Å; I69-L211 HydrophobicContact CG2-CD1 4.45Å; I69-L212 HydrophobicContact CD1-CD1 4.29Å; I69-L212 HydrophobicContact CG1-CD1 3.8Å; I69-L212 HydrophobicContact CG1-CD2 4.01Å; I69-L212 HydrophobicContact CG1-CG 3.73Å
70M90.8Very high87.6Confident3 Ų343.1 Ų43.12%0.01522%0.221CC..Hα-helixtrans-68.3-35.1-177.5-67.4-50.3-53.300112.9F45 L50 I51 L54 A66 I67 K68 K72 L73 L74 V79 F89F45-M70 HydrophobicContact CE2-CE 4.26Å; F45-M70 HydrophobicContact CZ-CE 4.04Å; L50-M70 HydrophobicContact CD2-CE 3.44Å; L50-M70 VanDerWaalsContact CD2-CE 3.44Å; L50-M70 HydrophobicContact CD2-CG 4.26Å; L50-M70 HydrophobicContact CD2-SD 3.6Å; L50-M70 HydrophobicContact CG-SD 4.46Å; I51-M70 HydrophobicContact CD1-CG 4.27Å; L54-M70 HydrophobicContact CD1-CG 4.13Å; L54-M70 HydrophobicContact CD1-SD 4.08Å; A66-M70 WeakPolarHBondContact O-CG 3.49Å; A66-M70 PolarHBondContact O-N 3.04Å; I67-M70 PolarHBondContact O-N 3.22Å; K68-M70 VanDerWaalsContact C-N 3.35Å; M70-K72 VanDerWaalsContact C-N 3.32Å; M70-L73 HydrophobicContact CE-CD1 3.87Å; M70-L73 PolarHBondContact O-N 3.09Å; M70-L73 HydrophobicContact SD-CD1 3.72Å; M70-L74 PolarHBondContact O-N 3.12Å; M70-V79 HydrophobicContact CE-CG1 4.42Å; M70-V79 HydrophobicContact CE-CG2 4.23Å; M70-F89 HydrophobicContact CB-CB 4.39Å; M70-F89 HydrophobicContact CB-CD1 3.58Å; M70-F89 HydrophobicContact CB-CD2 3.66Å; M70-F89 HydrophobicContact CB-CE1 3.66Å; M70-F89 HydrophobicContact CB-CE2 3.72Å; M70-F89 HydrophobicContact CB-CG 3.58Å; M70-F89 HydrophobicContact CB-CZ 3.71Å; M70-F89 HydrophobicContact CE-CE2 3.99Å; M70-F89 HydrophobicContact CE-CZ 4.38Å; M70-F89 HydrophobicContact CG-CD1 4.37Å; M70-F89 HydrophobicContact CG-CE1 3.94Å; M70-F89 HydrophobicContact CG-CE2 4.14Å; M70-F89 HydrophobicContact CG-CZ 3.8Å
71Q91.4Very high87.8Confident41 Ų4143.5 Ų43.519%0.19222%0.222CC..Hα-helixtrans-59.8-45.7171.8-175.662.954.600110.3I67 K68 L73 L74 D75 R87 E88 F89I67-Q71 WeakPolarHBondContact O-CB 3.27Å; I67-Q71 PolarHBondContact O-N 3.47Å; K68-Q71 PolarHBondContact O-N 2.94Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.78Å; Q71-L74 CarbonylContact O-C 3.49Å; Q71-L74 WeakPolarHBondContact O-CA 3.45Å; Q71-L74 WeakPolarHBondContact O-CB 3.47Å; Q71-L74 PolarHBondContact O-N 3.02Å; Q71-D75 PolarHBondContact NE2-OD1 3.36Å; Q71-D75 PolarHBondContact O-N 2.83Å; Q71-R87 PolarHBondContact NE2-O 3.25Å; Q71-R87 VanDerWaalsContact NE2-O 3.12Å; Q71-E88 VanDerWaalsContact OE1-CA 3.29Å; Q71-F89 HydrophobicContact CB-CB 4.38Å
72K86.3Confident87.5Confident48 Ų4840.7 Ų40.721%0.20920%0.201CC..Hα-helixtrans-62.2-38.3177.8-160167.8178.5163.10112.2F14 K68 I69 M70 L74 Q76 L211 E214F14-K72 HydrophobicContact CE2-CB 4.22Å; F14-K72 HydrophobicContact CE2-CD 3.73Å; F14-K72 HydrophobicContact CE2-CG 3.59Å; F14-K72 HydrophobicContact CZ-CB 4.12Å; F14-K72 HydrophobicContact CZ-CD 4.4Å; F14-K72 HydrophobicContact CZ-CG 3.75Å; K68-K72 PolarHBondContact O-N 2.93Å; I69-K72 WeakPolarHBondContact O-CB 3.32Å; I69-K72 PolarHBondContact O-N 3.02Å; M70-K72 VanDerWaalsContact C-N 3.32Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 3.09Å; K72-Q76 WeakPolarHBondContact O-CB 3.3Å; K72-Q76 WeakPolarHBondContact O-CG 3.49Å; K72-Q76 PolarHBondContact O-N 3.13Å; K72-Q76 VanDerWaalsContact O-N 3.11Å; K72-L211 WeakPolarHBondContact CE-O 3.48Å; K72-L211 PolarHBondContact NZ-O 3.04Å; K72-E214 IonicContact NZ-OE1 2.75Å
73L86.9Confident86.8Confident2 Ų240.7 Ų40.71%0.0121%0.205CC..Hα-helixtrans-65.3-33.8173.8-68.2174.5000112.3F14 I69 M70 Q71 I78 V79 L211F14-L73 HydrophobicContact CD1-CD2 4.36Å; F14-L73 HydrophobicContact CE1-CD2 3.53Å; F14-L73 HydrophobicContact CE1-CG 4.48Å; F14-L73 HydrophobicContact CZ-CD2 3.64Å; F14-L73 HydrophobicContact CZ-CG 4.21Å; I69-L73 PolarHBondContact O-N 2.95Å; I69-L73 VanDerWaalsContact O-N 3.08Å; M70-L73 HydrophobicContact CE-CD1 3.87Å; M70-L73 PolarHBondContact O-N 3.09Å; M70-L73 HydrophobicContact SD-CD1 3.72Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.78Å; L73-I78 HydrophobicContact CB-CB 4.48Å; L73-I78 HydrophobicContact CD2-CB 4.3Å; L73-I78 HydrophobicContact CD2-CD1 4.02Å; L73-I78 HydrophobicContact CD2-CG2 4.29Å; L73-I78 WeakPolarHBondContact O-CB 3.48Å; L73-I78 PolarHBondContact O-N 3.04Å; L73-V79 HydrophobicContact CB-CB 4.42Å; L73-V79 HydrophobicContact CB-CG2 4.24Å; L73-V79 PolarHBondContact O-N 3.43Å; L73-L211 HydrophobicContact CD2-CD1 4.39Å
74L87Confident85.8Confident22 Ų2240.7 Ų40.712%0.11521%0.213CC..Hα-helixtrans-71.3-47.6176-171.2156.3000111.3M70 Q71 K72 Q76 S77 V79 R87 F89 Y96M70-L74 PolarHBondContact O-N 3.12Å; Q71-L74 CarbonylContact O-C 3.49Å; Q71-L74 WeakPolarHBondContact O-CA 3.45Å; Q71-L74 WeakPolarHBondContact O-CB 3.47Å; Q71-L74 PolarHBondContact O-N 3.02Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 3.09Å; L74-Q76 PolarHBondContact O-N 3.28Å; L74-S77 WeakPolarHBondContact O-CA 3.17Å; L74-S77 PolarHBondContact O-N 3.11Å; L74-V79 WeakPolarHBondContact CA-O 3.36Å; L74-R87 WeakPolarHBondContact CD2-O 3.37Å; L74-F89 HydrophobicContact CD1-CB 4.31Å; L74-Y96 HydrophobicContact CD1-CD1 4.23Å; L74-Y96 HydrophobicContact CD1-CE1 3.64Å
75D84.6Confident84.9Confident105 Ų10542.3 Ų42.356%0.56122%0.217SC*.Hα-helixtrans-59.4-36.5178.7-63.3-22000111.7Q71 S77Q71-D75 PolarHBondContact NE2-OD1 3.36Å; Q71-D75 PolarHBondContact O-N 2.83Å; D75-S77 PolarHBondContact O-N 3.03Å
76Q78.1Confident84.3Confident84 Ų8443.9 Ų43.939%0.39322%0.223SC..THydrogen-bonded Turntrans-8411.8175.6-64.4-1624.900114.1F14 K72 L74 I78F14-Q76 HydrophobicContact CE1-CB 3.85Å; F14-Q76 HydrophobicContact CE1-CG 3.98Å; F14-Q76 VanDerWaalsContact CG-OE1 3.27Å; F14-Q76 HydrophobicContact CZ-CB 4.42Å; F14-Q76 HydrophobicContact CZ-CG 4.19Å; K72-Q76 WeakPolarHBondContact O-CB 3.3Å; K72-Q76 WeakPolarHBondContact O-CG 3.49Å; K72-Q76 PolarHBondContact O-N 3.13Å; K72-Q76 VanDerWaalsContact O-N 3.11Å; L74-Q76 PolarHBondContact O-N 3.28Å; Q76-I78 HydrophobicContact CB-CG1 4.26Å; Q76-I78 PolarHBondContact O-N 3.5Å; Q76-I78 VanDerWaalsContact O-N 3.08Å
77S78.9Confident83.8Confident46 Ų4654.4 Ų54.432%0.32226%0.262SS..THydrogen-bonded Turntrans56.724.3178.6-62.30000114.4L74 D75 R99 F105L74-S77 WeakPolarHBondContact O-CA 3.17Å; L74-S77 PolarHBondContact O-N 3.11Å; D75-S77 PolarHBondContact O-N 3.03Å; S77-R99 WeakPolarHBondContact O-CD 3.3Å; S77-R99 WeakPolarHBondContact O-CG 3.26Å; S77-R99 PolarHBondContact O-NE 3.3Å; S77-F105 WeakPolarHBondContact O-CD2 3.19Å
78I81.6Confident83.7Confident2 Ų258.2 Ų58.21%0.0128%0.28CS..SBendtrans-78.9-39.5173.7-58.6-164.7000110.2F14 L15 S18 L73 Q76 F98 R99 F105F14-I78 HydrophobicContact CD1-CD1 3.41Å; F14-I78 VanDerWaalsContact CD1-CD1 3.41Å; F14-I78 HydrophobicContact CE1-CD1 3.36Å; F14-I78 HydrophobicContact CE1-CG1 4.18Å; L15-I78 HydrophobicContact CD2-CD1 3.75Å; L15-I78 HydrophobicContact CD2-CG1 4.39Å; S18-I78 WeakPolarHBondContact OG-CD1 3.42Å; L73-I78 HydrophobicContact CB-CB 4.48Å; L73-I78 HydrophobicContact CD2-CB 4.3Å; L73-I78 HydrophobicContact CD2-CD1 4.02Å; L73-I78 HydrophobicContact CD2-CG2 4.29Å; L73-I78 WeakPolarHBondContact O-CB 3.48Å; L73-I78 PolarHBondContact O-N 3.04Å; Q76-I78 HydrophobicContact CB-CG1 4.26Å; Q76-I78 PolarHBondContact O-N 3.5Å; Q76-I78 VanDerWaalsContact O-N 3.08Å; I78-F98 HydrophobicContact CG2-CD1 3.89Å; I78-F98 HydrophobicContact CG2-CE1 4.11Å; I78-F98 CarbonylContact O-C 3.55Å; I78-F98 WeakPolarHBondContact O-CA 3.37Å; I78-R99 PolarHBondContact O-N 3.39Å; I78-F105 HydrophobicContact CB-CE2 4.31Å; I78-F105 HydrophobicContact CG1-CE2 3.86Å; I78-F105 HydrophobicContact CG1-CZ 4.4Å
79V87.8Confident83.8Confident1 Ų152.6 Ų52.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-119.4149.7176.9170.20000108.8F45 M70 L73 L74 Y96 R97 F98F45-V79 HydrophobicContact CE1-CG1 4.25Å; F45-V79 HydrophobicContact CZ-CG1 3.61Å; F45-V79 HydrophobicContact CZ-CG2 4.28Å; M70-V79 HydrophobicContact CE-CG1 4.42Å; M70-V79 HydrophobicContact CE-CG2 4.23Å; L73-V79 HydrophobicContact CB-CB 4.42Å; L73-V79 HydrophobicContact CB-CG2 4.24Å; L73-V79 PolarHBondContact O-N 3.43Å; L74-V79 WeakPolarHBondContact CA-O 3.36Å; V79-Y96 HydrophobicContact CG1-CD1 4.19Å; V79-Y96 HydrophobicContact CG1-CG 4.48Å; V79-R97 CarbonylContact C-O 3.3Å; V79-R97 VanDerWaalsContact CA-O 3.28Å; V79-R97 WeakPolarHBondContact CA-O 3.4Å; V79-F98 HydrophobicContact CG2-CD1 3.68Å; V79-F98 HydrophobicContact CG2-CD2 4.29Å; V79-F98 HydrophobicContact CG2-CE1 3.66Å; V79-F98 HydrophobicContact CG2-CE2 4.25Å; V79-F98 HydrophobicContact CG2-CG 4Å; V79-F98 HydrophobicContact CG2-CZ 3.95Å
80H84.8Confident84Confident8 Ų856.3 Ų56.34%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-141.6158.7172.675.4116.9000111.5D84 Y96 R97 R99 D102H80-D84 WeakPolarHBondContact CB-OD1 3.49Å; H80-D84 IonicContact CG-OD1 2.66Å; H80-D84 IonicContact ND1-OD1 3.72Å; H80-D84 PolarHBondContact ND1-OD1 3.45Å; H80-D84 IonicContact ND1-OD2 2.78Å; H80-Y96 CarbonylContact O-C 3.58Å; H80-Y96 WeakPolarHBondContact O-CA 3.46Å; H80-Y96 WeakPolarHBondContact O-CB 3.32Å; H80-R97 PolarHBondContact CD2-O 3.42Å; H80-R97 VanDerWaalsContact CD2-O 3.29Å; H80-R97 PolarHBondContact N-O 2.87Å; H80-R97 PolarHBondContact O-N 2.9Å; H80-R99 HydrophobicContact CB-CG 4.3Å; H80-D102 IonicContact CE1-OD2 3.26Å; H80-D102 IonicContact NE2-OD2 3.25Å; H80-D102 PolarHBondContact NE2-OD2 3.15Å
81H88.4Confident84.2Confident15 Ų1558.1 Ų58.17%0.06928%0.281CS..EExtended strand (participates in β ladder)trans-68.8138.7167.9177.7-110.3000108.5C83 D84 E85 H86 L95 Y96H81-C83 PolarHBondContact ND1-N 3.04Å; H81-C83 PolarHBondContact O-N 2.9Å; H81-D84 PolarHBondContact O-N 3.42Å; H81-E85 PolarHBondContact ND1-N 3.14Å; H81-H86 HydrophobicContact CB-CB 4.09Å; H81-H86 AromaticContact CD2-CD2 3.53Å; H81-H86 AromaticContact CE1-CD2 3.57Å; H81-H86 AromaticContact CG-CD2 3.72Å; H81-H86 AromaticContact ND1-CD2 3.75Å; H81-H86 AromaticContact NE2-CD2 3.45Å; H81-H86 PolarHBondContact NE2-CD2 3.35Å; H81-H86 AromaticContact NE2-NE2 3.98Å; H81-L95 PolarHBondContact CD2-O 3.38Å; H81-Y96 HydrophobicContact CB-CD1 4.06Å; H81-Y96 HydrophobicContact CB-CE1 3.86Å
82V83.6Confident84.2Confident21 Ų2161.4 Ų61.413%0.12730%0.297CS..THydrogen-bonded Turntrans-63.6-20-170.3178.70000113.6Y41 C44 L95 R97Y41-V82 HydrophobicContact CD1-CB 4.35Å; Y41-V82 HydrophobicContact CD1-CG1 3.1Å; Y41-V82 HydrophobicContact CE1-CG1 3.45Å; Y41-V82 VanDerWaalsContact CE1-CG1 3.45Å; Y41-V82 HydrophobicContact CG-CG1 3.89Å; C44-V82 HydrophobicContact CB-CG2 4.1Å; V82-L95 HydrophobicContact CB-CB 4.28Å; V82-L95 HydrophobicContact CG2-CB 3.86Å; V82-L95 WeakPolarHBondContact CG2-O 3.44Å; V82-L95 PolarHBondContact N-O 3.24Å; V82-R97 HydrophobicContact CG2-CB 3.89Å
83C78.1Confident84.4Confident60 Ų6067.6 Ų67.641%0.40533%0.325SS..THydrogen-bonded Turntrans-107.35.6171.2-55.80000113.8H81 E85H81-C83 PolarHBondContact ND1-N 3.04Å; H81-C83 PolarHBondContact O-N 2.9Å; C83-E85 HydrophobicContact CB-CG 3.88Å; C83-E85 PolarHBondContact O-N 3.17Å
84D72.6Confident84.6Confident97 Ų9769.2 Ų69.252%0.51933%0.333SS..SBendtrans54.812.3-174.7-66.6-48.8000115.8H80 H81 H86 R99H80-D84 WeakPolarHBondContact CB-OD1 3.49Å; H80-D84 IonicContact CG-OD1 2.66Å; H80-D84 IonicContact ND1-OD1 3.72Å; H80-D84 PolarHBondContact ND1-OD1 3.45Å; H80-D84 IonicContact ND1-OD2 2.78Å; H81-D84 PolarHBondContact O-N 3.42Å; D84-H86 VanDerWaalsContact C-N 3.27Å; D84-H86 PolarHBondContact O-N 2.86Å; D84-R99 IonicContact OD1-NH2 2.8Å; D84-R99 PolarHBondContact OD1-NH2 3.03Å
85E73.8Confident84.7Confident145 Ų14569 Ų6968%0.67833%0.332SS*.  trans-73.1-9.3179.2-63.5-179.3166.100115.1H81 C83H81-E85 PolarHBondContact ND1-N 3.14Å; C83-E85 HydrophobicContact CB-CG 3.88Å; C83-E85 PolarHBondContact O-N 3.17Å
86H75.4Confident85.1Confident51 Ų5164 Ų6424%0.23631%0.305CS..  trans-128.2113.9-172.8-61.6-40.9000111.7H81 D84H81-H86 HydrophobicContact CB-CB 4.09Å; H81-H86 AromaticContact CD2-CD2 3.53Å; H81-H86 AromaticContact CE1-CD2 3.57Å; H81-H86 AromaticContact CG-CD2 3.72Å; H81-H86 AromaticContact ND1-CD2 3.75Å; H81-H86 AromaticContact NE2-CD2 3.45Å; H81-H86 PolarHBondContact NE2-CD2 3.35Å; H81-H86 AromaticContact NE2-NE2 3.98Å; D84-H86 VanDerWaalsContact C-N 3.27Å; D84-H86 PolarHBondContact O-N 2.86Å
87R79.3Confident85.6Confident220 Ų22061.3 Ų61.383%0.8329%0.291SS*.SBendtrans-83.9-17174.5-62.6-175.8179.6-173.1-1.1113.3Q71 L74Q71-R87 PolarHBondContact NE2-O 3.25Å; Q71-R87 VanDerWaalsContact NE2-O 3.12Å; L74-R87 WeakPolarHBondContact CD2-O 3.37Å
88E91.3Very high86Confident125 Ų12559.2 Ų59.258%0.58428%0.277SS*.SBendtrans-108138.4175.4-63.6177.3129.700109.5Q71 Y96Q71-E88 VanDerWaalsContact OE1-CA 3.29Å; E88-Y96 PolarHBondContact O-OH 3.2Å; E88-Y96 VanDerWaalsContact O-OH 3.05Å
89F93.2Very high86Confident8 Ų861.3 Ų61.34%0.03528%0.284CS..  trans-75.4125.7171.3-169.5-87.7000109.5F45 A47 I51 I67 M70 Q71 L74 Y96F45-F89 HydrophobicContact CE2-CE2 4.3Å; A47-F89 HydrophobicContact CB-CE1 3.98Å; A47-F89 HydrophobicContact CB-CE2 4.11Å; A47-F89 HydrophobicContact CB-CZ 3.51Å; I51-F89 HydrophobicContact CD1-CE1 3.88Å; I51-F89 HydrophobicContact CG1-CE1 4.07Å; I67-F89 HydrophobicContact CG2-CD1 4.38Å; M70-F89 HydrophobicContact CB-CB 4.39Å; M70-F89 HydrophobicContact CB-CD1 3.58Å; M70-F89 HydrophobicContact CB-CD2 3.66Å; M70-F89 HydrophobicContact CB-CE1 3.66Å; M70-F89 HydrophobicContact CB-CE2 3.72Å; M70-F89 HydrophobicContact CB-CG 3.58Å; M70-F89 HydrophobicContact CB-CZ 3.71Å; M70-F89 HydrophobicContact CE-CE2 3.99Å; M70-F89 HydrophobicContact CE-CZ 4.38Å; M70-F89 HydrophobicContact CG-CD1 4.37Å; M70-F89 HydrophobicContact CG-CE1 3.94Å; M70-F89 HydrophobicContact CG-CE2 4.14Å; M70-F89 HydrophobicContact CG-CZ 3.8Å; Q71-F89 HydrophobicContact CB-CB 4.38Å; L74-F89 HydrophobicContact CD1-CB 4.31Å; F89-Y96 HydrophobicContact CD2-CD1 4.04Å; F89-Y96 HydrophobicContact CD2-CD2 4.39Å; F89-Y96 AromaticContact CD2-CE1 3.83Å; F89-Y96 HydrophobicContact CD2-CE1 3.83Å; F89-Y96 HydrophobicContact CD2-CE2 4.15Å; F89-Y96 HydrophobicContact CD2-CG 4.33Å; F89-Y96 AromaticContact CD2-CZ 3.88Å; F89-Y96 HydrophobicContact CE2-CD1 4.17Å; F89-Y96 AromaticContact CE2-CD2 3.93Å; F89-Y96 HydrophobicContact CE2-CD2 3.93Å; F89-Y96 HydrophobicContact CE2-CE1 4.3Å; F89-Y96 HydrophobicContact CE2-CE2 4.03Å; F89-Y96 AromaticContact CE2-CG 4Å; F89-Y96 HydrophobicContact CE2-CG 4Å
90K90.3Very high85.5Confident79 Ų7965.2 Ų65.234%0.34330%0.301SS..  trans-122.5128.8-177.4-57.1-177.7-179.4-175.50110.8A47 M92 L94 Y96A47-K90 WeakPolarHBondContact CB-O 3.35Å; K90-M92 HydrophobicContact CB-CB 4.44Å; K90-M92 HydrophobicContact CB-CG 4.11Å; K90-M92 HydrophobicContact CB-SD 4.25Å; K90-M92 HydrophobicContact CD-SD 4.32Å; K90-M92 PolarHBondContact O-N 2.91Å; K90-L94 HydrophobicContact CB-CD1 4Å; K90-L94 HydrophobicContact CD-CD1 4.34Å; K90-Y96 PolarHBondContact N-OH 3.36Å
91D94Very high85.1Confident41 Ų4166 Ų6622%0.21931%0.306CS..SBendtrans-70.372.3170.4-177.88.8000110.6K48 I51 R63 I67K48-D91 WeakPolarHBondContact CA-OD1 3.39Å; K48-D91 WeakPolarHBondContact CB-OD1 3.15Å; K48-D91 WeakPolarHBondContact CG-OD1 3.45Å; I51-D91 HydrophobicContact CG1-CB 4.36Å; R63-D91 WeakPolarHBondContact CD-OD2 3.44Å; R63-D91 IonicContact CZ-OD2 3.85Å; R63-D91 IonicContact NE-OD2 3.73Å; R63-D91 PolarHBondContact NE-OD2 3.04Å; R63-D91 IonicContact NH2-OD2 3.67Å; I67-D91 HydrophobicContact CD1-CB 3.81Å; I67-D91 HydrophobicContact CG1-CB 4.13Å
92M92.3Very high84.4Confident109 Ų10967.8 Ų67.854%0.53732%0.316SS..SBendtrans-138.4176.8-177.8-67.4-173.78000109.7K48 K90 L94K48-M92 PolarHBondContact N-O 3.08Å; K48-M92 VanDerWaalsContact N-O 3.13Å; K90-M92 HydrophobicContact CB-CB 4.44Å; K90-M92 HydrophobicContact CB-CG 4.11Å; K90-M92 HydrophobicContact CB-SD 4.25Å; K90-M92 HydrophobicContact CD-SD 4.32Å; K90-M92 PolarHBondContact O-N 2.91Å; M92-L94 HydrophobicContact CB-CD1 4.23Å; M92-L94 HydrophobicContact CB-CG 4.02Å; M92-L94 PolarHBondContact O-N 3.29Å
93K91.3Very high83.7Confident179 Ų17970 Ų7078%0.77834%0.343SS*.SBendtrans-7852173-64.9-171.4178-171.90112V46V46-K93 HydrophobicContact CG1-CB 4.46Å
94L90.4Very high83.2Confident35 Ų3570.3 Ų70.318%0.18334%0.343CS..  trans-102.2148.2176.7-64.2174.9000109.9V46 A47 K90 M92 Y96V46-L94 WeakPolarHBondContact CA-O 3.23Å; A47-L94 PolarHBondContact N-O 2.81Å; K90-L94 HydrophobicContact CB-CD1 4Å; K90-L94 HydrophobicContact CD-CD1 4.34Å; M92-L94 HydrophobicContact CB-CD1 4.23Å; M92-L94 HydrophobicContact CB-CG 4.02Å; M92-L94 PolarHBondContact O-N 3.29Å; L94-Y96 HydrophobicContact CB-CD2 4.3Å; L94-Y96 HydrophobicContact CB-CE2 3.72Å; L94-Y96 HydrophobicContact CD1-CE2 4.41Å
95L89.4Confident83Confident19 Ų1966.8 Ų66.810%0.09932%0.323CS..EExtended strand (participates in β ladder)trans-95.1124.7179-65.6176.5000110.1R34 H36 Y41 F45 V46 H81 V82R34-L95 HydrophobicContact CB-CD2 4.35Å; H36-L95 HydrophobicContact CB-CD1 3.84Å; Y41-L95 HydrophobicContact CD2-CD1 3.61Å; Y41-L95 HydrophobicContact CE2-CD1 4.18Å; Y41-L95 HydrophobicContact CG-CD1 4.11Å; F45-L95 WeakPolarHBondContact O-CA 3.48Å; V46-L95 HydrophobicContact CG2-CD2 3.7Å; H81-L95 PolarHBondContact CD2-O 3.38Å; V82-L95 HydrophobicContact CB-CB 4.28Å; V82-L95 HydrophobicContact CG2-CB 3.86Å; V82-L95 WeakPolarHBondContact CG2-O 3.44Å; V82-L95 PolarHBondContact N-O 3.24Å
96Y91.9Very high82.3Confident0 Ų063.3 Ų63.30%031%0.313CS..EExtended strand (participates in β ladder)trans-120.2163.5171.2-68.2-99.8000109.3C44 F45 A47 L74 V79 H80 H81 E88 F89 K90 L94C44-Y96 CarbonylContact C-O 3.54Å; C44-Y96 WeakPolarHBondContact CA-O 3.37Å; C44-Y96 WeakPolarHBondContact CB-O 3.11Å; F45-Y96 WeakPolarHBondContact CD1-O 3.45Å; F45-Y96 VanDerWaalsContact CE2-CB 3.45Å; F45-Y96 HydrophobicContact CE2-CG 4.35Å; F45-Y96 PolarHBondContact N-O 3.14Å; F45-Y96 PolarHBondContact O-N 3.36Å; A47-Y96 HydrophobicContact CB-CD2 3.8Å; A47-Y96 HydrophobicContact CB-CE2 3.73Å; L74-Y96 HydrophobicContact CD1-CD1 4.23Å; L74-Y96 HydrophobicContact CD1-CE1 3.64Å; V79-Y96 HydrophobicContact CG1-CD1 4.19Å; V79-Y96 HydrophobicContact CG1-CG 4.48Å; H80-Y96 CarbonylContact O-C 3.58Å; H80-Y96 WeakPolarHBondContact O-CA 3.46Å; H80-Y96 WeakPolarHBondContact O-CB 3.32Å; H81-Y96 HydrophobicContact CB-CD1 4.06Å; H81-Y96 HydrophobicContact CB-CE1 3.86Å; E88-Y96 PolarHBondContact O-OH 3.2Å; E88-Y96 VanDerWaalsContact O-OH 3.05Å; F89-Y96 HydrophobicContact CD2-CD1 4.04Å; F89-Y96 HydrophobicContact CD2-CD2 4.39Å; F89-Y96 AromaticContact CD2-CE1 3.83Å; F89-Y96 HydrophobicContact CD2-CE1 3.83Å; F89-Y96 HydrophobicContact CD2-CE2 4.15Å; F89-Y96 HydrophobicContact CD2-CG 4.33Å; F89-Y96 AromaticContact CD2-CZ 3.88Å; F89-Y96 HydrophobicContact CE2-CD1 4.17Å; F89-Y96 AromaticContact CE2-CD2 3.93Å; F89-Y96 HydrophobicContact CE2-CD2 3.93Å; F89-Y96 HydrophobicContact CE2-CE1 4.3Å; F89-Y96 HydrophobicContact CE2-CE2 4.03Å; F89-Y96 AromaticContact CE2-CG 4Å; F89-Y96 HydrophobicContact CE2-CG 4Å; K90-Y96 PolarHBondContact N-OH 3.36Å; L94-Y96 HydrophobicContact CB-CD2 4.3Å; L94-Y96 HydrophobicContact CB-CE2 3.72Å; L94-Y96 HydrophobicContact CD1-CE2 4.41Å
97R89.3Confident81.7Confident26 Ų2664.3 Ų64.310%0.09832%0.32CS..EExtended strand (participates in β ladder)trans-145.5145.9-178.2174.6-174.6-68.5168.50.7110P42 V79 H80 V82 D101 D102P42-R97 VanDerWaalsContact CD-NH2 3.26Å; P42-R97 VanDerWaalsContact O-CZ 3.26Å; P42-R97 PolarHBondContact O-NE 3.47Å; P42-R97 PolarHBondContact O-NH2 3.32Å; V79-R97 CarbonylContact C-O 3.3Å; V79-R97 VanDerWaalsContact CA-O 3.28Å; V79-R97 WeakPolarHBondContact CA-O 3.4Å; H80-R97 PolarHBondContact CD2-O 3.42Å; H80-R97 VanDerWaalsContact CD2-O 3.29Å; H80-R97 PolarHBondContact N-O 2.87Å; H80-R97 PolarHBondContact O-N 2.9Å; V82-R97 HydrophobicContact CG2-CB 3.89Å; R97-D101 HydrophobicContact CG-CB 4.27Å; R97-D102 VanDerWaalsContact CD-CG 3.47Å; R97-D102 WeakPolarHBondContact CD-OD2 3.41Å; R97-D102 IonicContact CZ-OD2 3.9Å; R97-D102 IonicContact NE-OD2 3.61Å; R97-D102 IonicContact NH1-OD2 2.6Å; R97-D102 PolarHBondContact NH1-OD2 2.95Å
98F88.1Confident81.2Confident3 Ų357 Ų571%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-73127166.1-76.3-94.6000109R22 L25 I31 F45 I78 V79 K100 D101R22-F98 HydrophobicContact CB-CD1 4.08Å; R22-F98 HydrophobicContact CB-CD2 4.29Å; R22-F98 HydrophobicContact CB-CE1 3.91Å; R22-F98 HydrophobicContact CB-CE2 4.15Å; R22-F98 HydrophobicContact CB-CG 4.27Å; R22-F98 HydrophobicContact CB-CZ 3.95Å; R22-F98 HydrophobicContact CG-CD1 4.29Å; R22-F98 HydrophobicContact CG-CD2 4.02Å; R22-F98 HydrophobicContact CG-CE2 4.32Å; R22-F98 HydrophobicContact CG-CG 4.02Å; L25-F98 HydrophobicContact CD1-CE2 3.9Å; L25-F98 HydrophobicContact CD1-CZ 4.1Å; I31-F98 HydrophobicContact CD1-CD2 3.7Å; I31-F98 HydrophobicContact CD1-CE2 3.74Å; F45-F98 HydrophobicContact CD1-CD2 4.22Å; F45-F98 HydrophobicContact CD1-CE2 4.2Å; F45-F98 AromaticContact CE1-CD2 3.65Å; F45-F98 HydrophobicContact CE1-CD2 3.65Å; F45-F98 AromaticContact CE1-CE2 3.62Å; F45-F98 HydrophobicContact CE1-CE2 3.62Å; F45-F98 HydrophobicContact CZ-CE2 4.34Å; I78-F98 HydrophobicContact CG2-CD1 3.89Å; I78-F98 HydrophobicContact CG2-CE1 4.11Å; I78-F98 CarbonylContact O-C 3.55Å; I78-F98 WeakPolarHBondContact O-CA 3.37Å; V79-F98 HydrophobicContact CG2-CD1 3.68Å; V79-F98 HydrophobicContact CG2-CD2 4.29Å; V79-F98 HydrophobicContact CG2-CE1 3.66Å; V79-F98 HydrophobicContact CG2-CE2 4.25Å; V79-F98 HydrophobicContact CG2-CG 4Å; V79-F98 HydrophobicContact CG2-CZ 3.95Å; F98-K100 PolarHBondContact O-N 2.89Å; F98-D101 WeakPolarHBondContact O-CB 3.35Å; F98-D101 PolarHBondContact O-N 3.13Å
99R80.9Confident80.1Confident46 Ų4655 Ų5517%0.17430%0.297CS..G310 helixtrans-59.2-21178.8-66-158-179.7-85.3-1.4113.4S77 I78 H80 D84 D101 G103 T104 F105S77-R99 WeakPolarHBondContact O-CD 3.3Å; S77-R99 WeakPolarHBondContact O-CG 3.26Å; S77-R99 PolarHBondContact O-NE 3.3Å; I78-R99 PolarHBondContact O-N 3.39Å; H80-R99 HydrophobicContact CB-CG 4.3Å; D84-R99 IonicContact OD1-NH2 2.8Å; D84-R99 PolarHBondContact OD1-NH2 3.03Å; R99-D101 VanDerWaalsContact C-N 3.26Å; R99-D101 PolarHBondContact O-N 3.38Å; R99-G103 CarbonylContact O-C 3.59Å; R99-G103 PolarHBondContact O-N 3.19Å; R99-G103 VanDerWaalsContact O-N 3.11Å; R99-T104 WeakPolarHBondContact CB-OG1 3.29Å; R99-T104 WeakPolarHBondContact CD-O 3.48Å; R99-T104 WeakPolarHBondContact CG-OG1 3.31Å; R99-T104 PolarHBondContact NH1-OG1 3.29Å; R99-T104 PolarHBondContact O-N 3.08Å; R99-F105 VanDerWaalsContact CB-CA 3.48Å; R99-F105 HydrophobicContact CB-CB 3.75Å; R99-F105 HydrophobicContact CB-CD2 4.02Å; R99-F105 HydrophobicContact CB-CG 4.39Å; R99-F105 PolarHBondContact O-N 2.98Å; R99-F105 VanDerWaalsContact O-N 3.11Å
100K77.4Confident78.9Confident83 Ų8357.6 Ų57.636%0.36131%0.309SS..G310 helixtrans-66.4-28172.6-179174.8176.3-168.10112.4F19 F98 F105 M115F19-K100 HydrophobicContact CD1-CD 3.44Å; F19-K100 VanDerWaalsContact CD1-CD 3.44Å; F19-K100 HydrophobicContact CE1-CB 3.79Å; F19-K100 HydrophobicContact CE1-CD 3.21Å; F19-K100 HydrophobicContact CE1-CG 4.08Å; F19-K100 HydrophobicContact CG-CD 4.47Å; F19-K100 HydrophobicContact CZ-CD 4.07Å; F98-K100 PolarHBondContact O-N 2.89Å; K100-F105 HydrophobicContact CB-CB 4.49Å; K100-M115 HydrophobicContact CD-CE 3.74Å; K100-M115 VanDerWaalsContact CE-CE 3.49Å
101D75.8Confident77.8Confident24 Ų2454 Ų5413%0.12829%0.294CS..G310 helixtrans-78.9-16.5-177.8-74.4-34.8000114.2R22 H26 N43 R97 F98 R99R22-D101 IonicContact CZ-OD1 3.3Å; R22-D101 VanDerWaalsContact NE-CG 3.3Å; R22-D101 IonicContact NE-OD1 3.18Å; R22-D101 PolarHBondContact NE-OD1 3.44Å; R22-D101 IonicContact NE-OD2 2.88Å; R22-D101 PolarHBondContact NE-OD2 2.85Å; R22-D101 IonicContact NH2-OD1 2.69Å; R22-D101 PolarHBondContact NH2-OD1 3.38Å; H26-D101 IonicContact CE1-OD1 3.85Å; H26-D101 IonicContact NE2-OD1 3.45Å; H26-D101 PolarHBondContact NE2-OD1 3.4Å; H26-D101 IonicContact NE2-OD2 2.71Å; H26-D101 PolarHBondContact NE2-OD2 2.83Å; N43-D101 HydrophobicContact CB-CB 3.66Å; R97-D101 HydrophobicContact CG-CB 4.27Å; F98-D101 WeakPolarHBondContact O-CB 3.35Å; F98-D101 PolarHBondContact O-N 3.13Å; R99-D101 VanDerWaalsContact C-N 3.26Å; R99-D101 PolarHBondContact O-N 3.38Å
102D73.8Confident76.8Confident52 Ų5257.7 Ų57.728%0.27831%0.308SS..THydrogen-bonded Turntrans-124.111.4174.365.94.9000114.2H80 R97 T104H80-D102 IonicContact CE1-OD2 3.26Å; H80-D102 IonicContact NE2-OD2 3.25Å; H80-D102 PolarHBondContact NE2-OD2 3.15Å; R97-D102 VanDerWaalsContact CD-CG 3.47Å; R97-D102 WeakPolarHBondContact CD-OD2 3.41Å; R97-D102 IonicContact CZ-OD2 3.9Å; R97-D102 IonicContact NE-OD2 3.61Å; R97-D102 IonicContact NH1-OD2 2.6Å; R97-D102 PolarHBondContact NH1-OD2 2.95Å; D102-T104 PolarHBondContact O-N 2.79Å; D102-T104 WeakPolarHBondContact OD1-CB 3.44Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.47Å; D102-T104 PolarHBondContact OD1-N 3.42Å; D102-T104 PolarHBondContact OD1-OG1 3.12Å
103G68.3Low76Confident69 Ų6952.6 Ų52.671%0.71128%0.283SS*.THydrogen-bonded Turntrans74.87.4175.500000114.7R99 F105R99-G103 CarbonylContact O-C 3.59Å; R99-G103 PolarHBondContact O-N 3.19Å; R99-G103 VanDerWaalsContact O-N 3.11Å; G103-F105 VanDerWaalsContact C-N 3.3Å
104T68.5Low75.2Confident65 Ų6544.2 Ų44.240%0.39925%0.247SC..  trans-86.11.5178.565.80000113.6R99 D102 P106R99-T104 WeakPolarHBondContact CB-OG1 3.29Å; R99-T104 WeakPolarHBondContact CD-O 3.48Å; R99-T104 WeakPolarHBondContact CG-OG1 3.31Å; R99-T104 PolarHBondContact NH1-OG1 3.29Å; R99-T104 PolarHBondContact O-N 3.08Å; D102-T104 PolarHBondContact O-N 2.79Å; D102-T104 WeakPolarHBondContact OD1-CB 3.44Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.47Å; D102-T104 PolarHBondContact OD1-N 3.42Å; D102-T104 PolarHBondContact OD1-OG1 3.12Å; T104-P106 WeakPolarHBondContact O-CD 3.27Å
105F67.6Low74.4Confident24 Ų2444 Ų4411%0.10525%0.245CC..  trans-67.2121.3-176.5-172.3-118.4000109.8L15 F19 S77 I78 R99 K100 G103 L107L15-F105 HydrophobicContact CD2-CE1 4.02Å; L15-F105 HydrophobicContact CD2-CE2 4.38Å; L15-F105 HydrophobicContact CD2-CZ 3.42Å; L15-F105 VanDerWaalsContact CD2-CZ 3.42Å; F19-F105 HydrophobicContact CE2-CE1 4.48Å; F19-F105 HydrophobicContact CZ-CD1 4.17Å; F19-F105 AromaticContact CZ-CE1 3.84Å; F19-F105 HydrophobicContact CZ-CE1 3.84Å; F19-F105 HydrophobicContact CZ-CZ 4.2Å; S77-F105 WeakPolarHBondContact O-CD2 3.19Å; I78-F105 HydrophobicContact CB-CE2 4.31Å; I78-F105 HydrophobicContact CG1-CE2 3.86Å; I78-F105 HydrophobicContact CG1-CZ 4.4Å; R99-F105 VanDerWaalsContact CB-CA 3.48Å; R99-F105 HydrophobicContact CB-CB 3.75Å; R99-F105 HydrophobicContact CB-CD2 4.02Å; R99-F105 HydrophobicContact CB-CG 4.39Å; R99-F105 PolarHBondContact O-N 2.98Å; R99-F105 VanDerWaalsContact O-N 3.11Å; K100-F105 HydrophobicContact CB-CB 4.49Å; G103-F105 VanDerWaalsContact C-N 3.3Å; F105-L107 VanDerWaalsContact C-N 3.26Å; F105-L107 HydrophobicContact CD1-CD2 3.48Å; F105-L107 VanDerWaalsContact CD1-CD2 3.48Å; F105-L107 HydrophobicContact CD1-CG 3.7Å; F105-L107 HydrophobicContact CE1-CD2 3.59Å; F105-L107 HydrophobicContact CE1-CG 4.24Å; F105-L107 PolarHBondContact O-N 3.34Å
106P60.9Low74.1Confident72 Ų7247.1 Ų47.147%0.46826%0.256SS..  trans-70.688.2178.828.8-33.2000108.8T104 D108T104-P106 WeakPolarHBondContact O-CD 3.27Å; P106-D108 VanDerWaalsContact C-N 3.35Å; P106-D108 PolarHBondContact O-N 3.05Å; P106-D108 VanDerWaalsContact O-N 3.08Å
107L62.9Low73.7Confident72 Ų7247.1 Ų47.138%0.37726%0.256SS..  trans-77.490.4171.9-74.1171.4000107.8F105 A111 K112 M115F105-L107 VanDerWaalsContact C-N 3.26Å; F105-L107 HydrophobicContact CD1-CD2 3.48Å; F105-L107 VanDerWaalsContact CD1-CD2 3.48Å; F105-L107 HydrophobicContact CD1-CG 3.7Å; F105-L107 HydrophobicContact CE1-CD2 3.59Å; F105-L107 HydrophobicContact CE1-CG 4.24Å; F105-L107 PolarHBondContact O-N 3.34Å; L107-A111 HydrophobicContact CD2-CB 3.92Å; L107-K112 HydrophobicContact CB-CD 4.36Å; L107-K112 HydrophobicContact CB-CG 3.74Å; L107-K112 HydrophobicContact CD1-CG 4.41Å; L107-K112 HydrophobicContact CD2-CG 4.48Å; L107-K112 HydrophobicContact CG-CG 4.44Å; L107-K112 VanDerWaalsContact O-CE 3.26Å; L107-K112 WeakPolarHBondContact O-CE 3.08Å; L107-M115 HydrophobicContact CD2-CG 4.18Å
108D67.4Low73Confident67 Ų6746.4 Ų46.436%0.35825%0.253SS..  trans-59.5165.7160.860.922.2000110.3Q11 P106 E110 A111 K112Q11-D108 PolarHBondContact NE2-OD2 2.92Å; P106-D108 VanDerWaalsContact C-N 3.35Å; P106-D108 PolarHBondContact O-N 3.05Å; P106-D108 VanDerWaalsContact O-N 3.08Å; D108-E110 PolarHBondContact O-N 2.65Å; D108-E110 VanDerWaalsContact O-N 3.16Å; D108-E110 PolarHBondContact OD1-N 2.98Å; D108-A111 PolarHBondContact O-N 3.41Å; D108-A111 WeakPolarHBondContact OD1-CB 3.49Å; D108-A111 PolarHBondContact OD1-N 3.1Å; D108-K112 WeakPolarHBondContact O-CG 3.03Å; D108-K112 PolarHBondContact O-N 3.42Å; D108-K112 VanDerWaalsContact O-N 3.15Å
109S68.4Low72.7Confident81 Ų8153.3 Ų53.357%0.56628%0.28SS*.Hα-helixtrans-55.8-32.3-178.444.10000112.2V113 R173S109-V113 WeakPolarHBondContact O-CG2 3.31Å; S109-V113 PolarHBondContact O-N 3.31Å; S109-R173 PolarHBondContact O-NH2 3.37Å
110E67.6Low73Confident63 Ų6351.1 Ų51.129%0.29427%0.271SS..Hα-helixtrans-73.8-48.9-178.8-48.8-160.1147.200111.9D108 K112 V113 F114 H177D108-E110 PolarHBondContact O-N 2.65Å; D108-E110 VanDerWaalsContact O-N 3.16Å; D108-E110 PolarHBondContact OD1-N 2.98Å; E110-K112 PolarHBondContact O-N 3.12Å; E110-V113 PolarHBondContact O-N 3.47Å; E110-F114 PolarHBondContact O-N 3.43Å; E110-H177 IonicContact OE1-CE1 3.05Å
111A68Low73.3Confident3 Ų347.3 Ų47.33%0.02526%0.255CS..Hα-helixtrans-60.2-34176.900000111.4L15 L107 D108 F114 M115L15-A111 HydrophobicContact CD1-CB 3.87Å; L107-A111 HydrophobicContact CD2-CB 3.92Å; D108-A111 PolarHBondContact O-N 3.41Å; D108-A111 WeakPolarHBondContact OD1-CB 3.49Å; D108-A111 PolarHBondContact OD1-N 3.1Å; A111-F114 PolarHBondContact O-N 2.94Å; A111-M115 WeakPolarHBondContact O-CB 3.25Å; A111-M115 WeakPolarHBondContact O-CG 3.32Å; A111-M115 PolarHBondContact O-N 2.76Å
112K71.8Confident73.3Confident119 Ų11949.4 Ų49.452%0.51726%0.264SS..Hα-helixtrans-62.3-43.7173.7-68.9-178.3-176.3171.50112.4L107 D108 E110 F114 R116L107-K112 HydrophobicContact CB-CD 4.36Å; L107-K112 HydrophobicContact CB-CG 3.74Å; L107-K112 HydrophobicContact CD1-CG 4.41Å; L107-K112 HydrophobicContact CD2-CG 4.48Å; L107-K112 HydrophobicContact CG-CG 4.44Å; L107-K112 VanDerWaalsContact O-CE 3.26Å; L107-K112 WeakPolarHBondContact O-CE 3.08Å; D108-K112 WeakPolarHBondContact O-CG 3.03Å; D108-K112 PolarHBondContact O-N 3.42Å; D108-K112 VanDerWaalsContact O-N 3.15Å; E110-K112 PolarHBondContact O-N 3.12Å; K112-F114 VanDerWaalsContact C-N 3.33Å; K112-R116 VanDerWaalsContact O-CB 3.31Å; K112-R116 WeakPolarHBondContact O-CB 3.48Å; K112-R116 PolarHBondContact O-N 3.49Å
113V76.8Confident73.7Confident3 Ų350 Ų502%0.01826%0.264CS..Hα-helixtrans-63.3-45177.3-178.30000109.9S109 E110 R116 G117 R173 L174 H177 I179S109-V113 WeakPolarHBondContact O-CG2 3.31Å; S109-V113 PolarHBondContact O-N 3.31Å; E110-V113 PolarHBondContact O-N 3.47Å; V113-R116 PolarHBondContact O-N 3.03Å; V113-G117 PolarHBondContact O-N 2.89Å; V113-R173 HydrophobicContact CG1-CB 4.2Å; V113-R173 HydrophobicContact CG2-CB 4.35Å; V113-L174 HydrophobicContact CG1-CD2 3.95Å; V113-H177 HydrophobicContact CG1-CB 4.23Å; V113-I179 HydrophobicContact CG1-CD1 3.86Å
114F74.8Confident74.5Confident3 Ų347 Ų471%0.01323%0.231CC..Hα-helixtrans-59.8-51.4179.1-176.1-95.2000112.5S12 L15 C16 E110 A111 K112 R116 G117 Q118 I179 F202S12-F114 VanDerWaalsContact CB-CD2 3.43Å; S12-F114 VanDerWaalsContact CB-CE2 3.44Å; S12-F114 WeakPolarHBondContact O-CE1 3.11Å; S12-F114 WeakPolarHBondContact O-CZ 3.47Å; S12-F114 WeakPolarHBondContact OG-CD2 3.32Å; L15-F114 HydrophobicContact CB-CD1 4.09Å; L15-F114 HydrophobicContact CB-CE1 4.11Å; L15-F114 HydrophobicContact CD1-CD1 4.47Å; C16-F114 HydrophobicContact CB-CE1 3.98Å; C16-F114 HydrophobicContact CB-CZ 3.63Å; E110-F114 PolarHBondContact O-N 3.43Å; A111-F114 PolarHBondContact O-N 2.94Å; K112-F114 VanDerWaalsContact C-N 3.33Å; F114-R116 PolarHBondContact O-N 2.93Å; F114-G117 PolarHBondContact O-N 3.3Å; F114-G117 VanDerWaalsContact O-N 3.13Å; F114-Q118 PolarHBondContact O-N 3.01Å; F114-I179 HydrophobicContact CD2-CD1 4.38Å; F114-I179 HydrophobicContact CD2-CG1 4.34Å; F114-F202 HydrophobicContact CD2-CE1 4.42Å; F114-F202 HydrophobicContact CE1-CE1 4.23Å; F114-F202 AromaticContact CE2-CE1 3.54Å; F114-F202 HydrophobicContact CE2-CE1 3.54Å; F114-F202 HydrophobicContact CE2-CZ 4.15Å; F114-F202 HydrophobicContact CZ-CD1 4.07Å; F114-F202 AromaticContact CZ-CE1 3.42Å; F114-F202 HydrophobicContact CZ-CE1 3.42Å; F114-F202 VanDerWaalsContact CZ-CE1 3.42Å; F114-F202 HydrophobicContact CZ-CZ 4.44Å
115M72.6Confident75Confident29 Ų2945.9 Ų45.914%0.14322%0.222CC..Hα-helixtrans-61.3-34.8179.5-69.8-63.4-81.300112.3F19 K100 L107 A111 R119F19-M115 HydrophobicContact CD1-CE 4.16Å; F19-M115 HydrophobicContact CD2-CE 3.76Å; F19-M115 HydrophobicContact CD2-SD 3.3Å; F19-M115 WeakPolarHBondContact CD2-SD 3.44Å; F19-M115 HydrophobicContact CE1-CE 4.05Å; F19-M115 HydrophobicContact CE2-CE 3.61Å; F19-M115 HydrophobicContact CE2-CG 4.35Å; F19-M115 HydrophobicContact CE2-SD 3.16Å; F19-M115 WeakPolarHBondContact CE2-SD 3.46Å; F19-M115 HydrophobicContact CG-CE 4.05Å; F19-M115 HydrophobicContact CG-SD 4.14Å; F19-M115 HydrophobicContact CZ-CE 3.76Å; F19-M115 HydrophobicContact CZ-SD 3.9Å; K100-M115 HydrophobicContact CD-CE 3.74Å; K100-M115 VanDerWaalsContact CE-CE 3.49Å; L107-M115 HydrophobicContact CD2-CG 4.18Å; A111-M115 WeakPolarHBondContact O-CB 3.25Å; A111-M115 WeakPolarHBondContact O-CG 3.32Å; A111-M115 PolarHBondContact O-N 2.76Å; M115-R119 PolarHBondContact O-N 3.49Å
116R82.8Confident75.2Confident86 Ų8650.7 Ų50.733%0.32525%0.249SC..Hα-helixtrans-68.2-48.9173.5-166.6165.5-166.5168.38.2110.9K112 V113 F114 Q118 R119 L120 E160 M161 L170K112-R116 VanDerWaalsContact O-CB 3.31Å; K112-R116 WeakPolarHBondContact O-CB 3.48Å; K112-R116 PolarHBondContact O-N 3.49Å; V113-R116 PolarHBondContact O-N 3.03Å; F114-R116 PolarHBondContact O-N 2.93Å; R116-Q118 VanDerWaalsContact C-N 3.33Å; R116-Q118 PolarHBondContact O-N 3.19Å; R116-R119 PolarHBondContact O-N 3.34Å; R116-R119 VanDerWaalsContact O-N 3.15Å; R116-L120 HydrophobicContact CG-CD1 4.23Å; R116-L120 HydrophobicContact CG-CG 4.49Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.44Å; R116-L120 PolarHBondContact O-N 3.31Å; R116-E160 PolarHBondContact NH2-O 3.49Å; R116-E160 IonicContact NH2-OE2 2.87Å; R116-M161 VanDerWaalsContact CZ-SD 3.52Å; R116-M161 PolarHBondContact NH2-SD 2.87Å; R116-L170 HydrophobicContact CG-CD1 4.46Å
117G83.9Confident75.7Confident0 Ų050.1 Ų50.10%024%0.244CC..Hα-helixtrans-56.4-42.9176.300000113.5V113 F114 L120 Y121V113-G117 PolarHBondContact O-N 2.89Å; F114-G117 PolarHBondContact O-N 3.3Å; F114-G117 VanDerWaalsContact O-N 3.13Å; G117-L120 PolarHBondContact O-N 3.26Å; G117-Y121 WeakPolarHBondContact O-CB 3.25Å; G117-Y121 PolarHBondContact O-N 3.08Å
118Q75.6Confident75.8Confident10 Ų1056.5 Ų56.55%0.04727%0.272CS..Hα-helixtrans-59.6-49.4174.4-179.8179.2-8.900111.5F114 R116 L120 Y121 E122 F202F114-Q118 PolarHBondContact O-N 3.01Å; R116-Q118 VanDerWaalsContact C-N 3.33Å; R116-Q118 PolarHBondContact O-N 3.19Å; Q118-L120 VanDerWaalsContact C-N 3.32Å; Q118-L120 PolarHBondContact O-N 3.42Å; Q118-Y121 PolarHBondContact O-N 2.77Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.45Å; Q118-E122 PolarHBondContact NE2-OE1 2.99Å; Q118-E122 WeakPolarHBondContact O-CG 3.45Å; Q118-E122 PolarHBondContact O-N 3.22Å; Q118-F202 HydrophobicContact CB-CD1 3.69Å; Q118-F202 HydrophobicContact CB-CE1 3.61Å; Q118-F202 HydrophobicContact CB-CG 4.44Å; Q118-F202 HydrophobicContact CB-CZ 4.31Å; Q118-F202 HydrophobicContact CG-CB 4.48Å; Q118-F202 HydrophobicContact CG-CD1 3.71Å; Q118-F202 HydrophobicContact CG-CE1 4.17Å; Q118-F202 HydrophobicContact CG-CG 4.27Å
119R81.8Confident75.9Confident149 Ų14954.9 Ų54.956%0.56226%0.263SS*.Hα-helixtrans-60.3-43.4179.9-174.8-170.9-58.4-170.40.1111.6M115 R116 E122 K123M115-R119 PolarHBondContact O-N 3.49Å; R116-R119 PolarHBondContact O-N 3.34Å; R116-R119 VanDerWaalsContact O-N 3.15Å; R119-E122 PolarHBondContact O-N 3.15Å; R119-K123 PolarHBondContact O-N 2.93Å
120L86.3Confident76.4Confident0 Ų057 Ų570%027%0.268CS..Hα-helixtrans-63.3-44.2177.9-65.6173.1000111.1R116 G117 Q118 E122 K123 L124 F151 W154 L155 E160 L170 L174R116-L120 HydrophobicContact CG-CD1 4.23Å; R116-L120 HydrophobicContact CG-CG 4.49Å; R116-L120 VanDerWaalsContact O-CG 3.29Å; R116-L120 WeakPolarHBondContact O-CG 3.44Å; R116-L120 PolarHBondContact O-N 3.31Å; G117-L120 PolarHBondContact O-N 3.26Å; Q118-L120 VanDerWaalsContact C-N 3.32Å; Q118-L120 PolarHBondContact O-N 3.42Å; L120-E122 PolarHBondContact O-N 3.05Å; L120-K123 PolarHBondContact O-N 3.33Å; L120-L124 WeakPolarHBondContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.4Å; L120-L124 PolarHBondContact O-N 2.87Å; L120-F151 HydrophobicContact CD1-CZ 4.44Å; L120-W154 HydrophobicContact CB-CZ3 4.49Å; L120-W154 HydrophobicContact CD2-CH2 4.1Å; L120-W154 HydrophobicContact CD2-CZ3 3.92Å; L120-L155 HydrophobicContact CD1-CD2 4.04Å; L120-L155 HydrophobicContact CD2-CD2 3.62Å; L120-L155 HydrophobicContact CG-CD2 4.44Å; L120-E160 HydrophobicContact CD2-CB 4.2Å; L120-E160 HydrophobicContact CD2-CG 3.63Å; L120-L170 HydrophobicContact CD1-CD2 4.05Å; L120-L174 HydrophobicContact CD1-CD1 4.17Å
121Y83.5Confident77.2Confident3 Ų355.1 Ų55.11%0.01226%0.26CS..Hα-helixtrans-61.9-43.6175.8-177.9-90.4000112.2G117 Q118 L124 M125 R144 F198 N201 F202 R203G117-Y121 WeakPolarHBondContact O-CB 3.25Å; G117-Y121 PolarHBondContact O-N 3.08Å; Q118-Y121 PolarHBondContact O-N 2.77Å; Y121-L124 PolarHBondContact O-N 3.45Å; Y121-M125 HydrophobicContact CD1-CG 3.89Å; Y121-M125 HydrophobicContact CD2-CE 4.01Å; Y121-M125 HydrophobicContact CD2-CG 4.49Å; Y121-M125 HydrophobicContact CE1-CE 4.42Å; Y121-M125 HydrophobicContact CE1-CG 3.68Å; Y121-M125 HydrophobicContact CE1-SD 4.47Å; Y121-M125 HydrophobicContact CE2-CE 3.48Å; Y121-M125 VanDerWaalsContact CE2-CE 3.48Å; Y121-M125 HydrophobicContact CE2-CG 4.32Å; Y121-M125 HydrophobicContact CE2-SD 4.49Å; Y121-M125 HydrophobicContact CG-CG 4.32Å; Y121-M125 WeakPolarHBondContact O-CB 3.46Å; Y121-M125 WeakPolarHBondContact O-CG 3.1Å; Y121-M125 PolarHBondContact O-N 3.34Å; Y121-R144 PolarHBondContact OH-NH2 2.72Å; Y121-F198 HydrophobicContact CD2-CB 3.88Å; Y121-F198 AromaticContact CD2-CD1 3.62Å; Y121-F198 HydrophobicContact CD2-CD1 3.62Å; Y121-F198 HydrophobicContact CD2-CD2 4.01Å; Y121-F198 HydrophobicContact CD2-CE1 4.09Å; Y121-F198 HydrophobicContact CD2-CE2 4.46Å; Y121-F198 AromaticContact CD2-CG 3.56Å; Y121-F198 HydrophobicContact CD2-CG 3.56Å; Y121-F198 HydrophobicContact CD2-CZ 4.49Å; Y121-F198 HydrophobicContact CE2-CB 3.84Å; Y121-F198 HydrophobicContact CE2-CD1 4.44Å; Y121-F198 HydrophobicContact CE2-CG 4.04Å; Y121-F198 HydrophobicContact CG-CD1 4.41Å; Y121-N201 PolarHBondContact OH-OD1 2.99Å; Y121-N201 VanDerWaalsContact OH-OD1 3.13Å; Y121-F202 HydrophobicContact CD1-CB 3.6Å; Y121-F202 AromaticContact CD1-CD2 3.6Å; Y121-F202 HydrophobicContact CD1-CD2 3.6Å; Y121-F202 HydrophobicContact CD1-CG 4.02Å; Y121-F202 AromaticContact CD2-CD2 3.83Å; Y121-F202 HydrophobicContact CD2-CD2 3.83Å; Y121-F202 HydrophobicContact CD2-CE2 4.34Å; Y121-F202 HydrophobicContact CE1-CB 3.83Å; Y121-F202 HydrophobicContact CE1-CD2 4.15Å; Y121-F202 HydrophobicContact CE2-CD2 4.35Å; Y121-F202 HydrophobicContact CG-CB 4.31Å; Y121-F202 AromaticContact CG-CD2 3.38Å; Y121-F202 HydrophobicContact CG-CD2 3.38Å; Y121-F202 HydrophobicContact CG-CE2 4.09Å; Y121-F202 HydrophobicContact CG-CG 4.23Å; Y121-R203 HydrophobicContact CE1-CB 4.37Å; Y121-R203 HydrophobicContact CE1-CG 3.96Å
122E76.2Confident78Confident68 Ų6856.5 Ų56.532%0.31827%0.267SS..Hα-helixtrans-61.7-44.7176.7-74.9171.5-173.300111.8Q118 R119 L120 M125 N126Q118-E122 WeakPolarHBondContact CG-OE1 3.45Å; Q118-E122 PolarHBondContact NE2-OE1 2.99Å; Q118-E122 WeakPolarHBondContact O-CG 3.45Å; Q118-E122 PolarHBondContact O-N 3.22Å; R119-E122 PolarHBondContact O-N 3.15Å; L120-E122 PolarHBondContact O-N 3.05Å; E122-M125 PolarHBondContact O-N 3.46Å; E122-N126 WeakPolarHBondContact O-CB 3.18Å; E122-N126 PolarHBondContact O-N 2.98Å; E122-N126 VanDerWaalsContact O-N 3.13Å; E122-N126 PolarHBondContact O-ND2 3.01Å
123K83.1Confident78.7Confident65 Ų6554.8 Ų54.828%0.28326%0.261SS..Hα-helixtrans-59.8-51.6173.8-79-173164.7-164.30111.3R119 L120 M125 N126 T127 W154 E158 E160R119-K123 PolarHBondContact O-N 2.93Å; L120-K123 PolarHBondContact O-N 3.33Å; K123-M125 PolarHBondContact O-N 3.19Å; K123-N126 PolarHBondContact O-N 3.4Å; K123-N126 VanDerWaalsContact O-N 3.12Å; K123-T127 PolarHBondContact O-N 2.97Å; K123-T127 PolarHBondContact O-OG1 2.72Å; K123-T127 VanDerWaalsContact O-OG1 3.06Å; K123-W154 HydrophobicContact CB-CH2 3.95Å; K123-W154 HydrophobicContact CB-CZ2 3.9Å; K123-E158 IonicContact NZ-OE2 2.71Å; K123-E160 WeakPolarHBondContact CE-OE1 3.44Å; K123-E160 IonicContact NZ-OE1 3.86Å; K123-E160 PolarHBondContact NZ-OE1 3.26Å
124L84.9Confident79.2Confident6 Ų659 Ų593%0.03129%0.286CS..Hα-helixtrans-56.1-37.4179.2-81.3165.3000112.7L120 Y121 N129 L131 I132 F151 W154 F198L120-L124 WeakPolarHBondContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.4Å; L120-L124 PolarHBondContact O-N 2.87Å; Y121-L124 PolarHBondContact O-N 3.45Å; L124-N129 PolarHBondContact O-ND2 2.9Å; L124-L131 HydrophobicContact CD2-CB 4.36Å; L124-L131 HydrophobicContact CD2-CD1 3.68Å; L124-I132 HydrophobicContact CB-CD1 3.93Å; L124-I132 HydrophobicContact CD1-CD1 4.25Å; L124-I132 HydrophobicContact CG-CD1 4.48Å; L124-F151 HydrophobicContact CD1-CD2 4.31Å; L124-F151 HydrophobicContact CD1-CE2 3.88Å; L124-W154 HydrophobicContact CD1-CH2 4.34Å; L124-W154 HydrophobicContact CD1-CZ3 4.12Å; L124-W154 HydrophobicContact CD2-CD2 3.75Å; L124-W154 HydrophobicContact CD2-CE3 3.89Å; L124-W154 HydrophobicContact CD2-CG 4.39Å; L124-W154 HydrophobicContact CD2-CH2 4.04Å; L124-W154 HydrophobicContact CD2-CZ2 3.88Å; L124-W154 HydrophobicContact CD2-CZ3 4.03Å; L124-W154 HydrophobicContact CG-CD2 4.4Å; L124-W154 HydrophobicContact CG-CE3 4.19Å; L124-W154 HydrophobicContact CG-CH2 3.62Å; L124-W154 HydrophobicContact CG-CZ2 3.83Å; L124-W154 HydrophobicContact CG-CZ3 3.8Å; L124-F198 HydrophobicContact CD1-CE2 3.67Å; L124-F198 HydrophobicContact CD1-CZ 3.78Å
125M77.4Confident79.9Confident40 Ų4061 Ų6120%0.19729%0.294CS..Hα-helixtrans-82.1-16.5-178-68.5-70.4148.200114.5Y121 E122 K123 I132 R144Y121-M125 HydrophobicContact CD1-CG 3.89Å; Y121-M125 HydrophobicContact CD2-CE 4.01Å; Y121-M125 HydrophobicContact CD2-CG 4.49Å; Y121-M125 HydrophobicContact CE1-CE 4.42Å; Y121-M125 HydrophobicContact CE1-CG 3.68Å; Y121-M125 HydrophobicContact CE1-SD 4.47Å; Y121-M125 HydrophobicContact CE2-CE 3.48Å; Y121-M125 VanDerWaalsContact CE2-CE 3.48Å; Y121-M125 HydrophobicContact CE2-CG 4.32Å; Y121-M125 HydrophobicContact CE2-SD 4.49Å; Y121-M125 HydrophobicContact CG-CG 4.32Å; Y121-M125 WeakPolarHBondContact O-CB 3.46Å; Y121-M125 WeakPolarHBondContact O-CG 3.1Å; Y121-M125 PolarHBondContact O-N 3.34Å; E122-M125 PolarHBondContact O-N 3.46Å; K123-M125 PolarHBondContact O-N 3.19Å; M125-I132 HydrophobicContact CE-CD1 3.29Å; M125-I132 HydrophobicContact CE-CG2 4.26Å; M125-R144 PolarHBondContact SD-NH2 2.77Å; M125-R144 VanDerWaalsContact SD-NH2 3.35Å
126N71.6Confident80.6Confident126 Ų12667 Ų6767%0.67432%0.321SS*.Hα-helixtrans-103.8-24.1-178.3-70.6-19.7000112.4E122 K123E122-N126 WeakPolarHBondContact O-CB 3.18Å; E122-N126 PolarHBondContact O-N 2.98Å; E122-N126 VanDerWaalsContact O-N 3.13Å; E122-N126 PolarHBondContact O-ND2 3.01Å; K123-N126 PolarHBondContact O-N 3.4Å; K123-N126 VanDerWaalsContact O-N 3.12Å
127T71.7Confident80.5Confident59 Ų5965.1 Ų65.136%0.36232%0.316SS..SBendtrans-76.9134.7170.6-54.90000109K123 N129K123-T127 PolarHBondContact O-N 2.97Å; K123-T127 PolarHBondContact O-OG1 2.72Å; K123-T127 VanDerWaalsContact O-OG1 3.06Å; T127-N129 HydrophobicContact CG2-CB 4.12Å; T127-N129 PolarHBondContact O-N 3.2Å
128E65.2Low80.4Confident206 Ų20673.3 Ų73.396%0.96336%0.355SS*.  trans-67.975.1164.9-68.8-175.7176.600108.9
129N69.6Low80.6Confident33 Ų3376.2 Ų76.218%0.17639%0.387CS..  trans-112148.2174.865.556.8000110.1L124 T127 L131L124-N129 PolarHBondContact O-ND2 2.9Å; T127-N129 HydrophobicContact CG2-CB 4.12Å; T127-N129 PolarHBondContact O-N 3.2Å; N129-L131 HydrophobicContact CB-CD1 4.01Å; N129-L131 HydrophobicContact CB-CG 4.21Å; N129-L131 PolarHBondContact O-N 2.89Å; N129-L131 PolarHBondContact OD1-N 2.84Å
130N79.1Confident80.7Confident125 Ų12575.1 Ų75.167%0.66839%0.39SS*.SBendtrans-90.414.7177.6-74.4-29.8000112.3Q133N130-Q133 WeakPolarHBondContact O-CG 3.35Å; N130-Q133 PolarHBondContact O-NE2 3.26Å; N130-Q133 PolarHBondContact OD1-NE2 3.37Å
131L84.4Confident80.8Confident25 Ų2578.1 Ų78.113%0.13142%0.415CS..SBendtrans-73-36.1-172.4-69.2163.1000112.1L124 N129 R135 E150 W154L124-L131 HydrophobicContact CD2-CB 4.36Å; L124-L131 HydrophobicContact CD2-CD1 3.68Å; N129-L131 HydrophobicContact CB-CD1 4.01Å; N129-L131 HydrophobicContact CB-CG 4.21Å; N129-L131 PolarHBondContact O-N 2.89Å; N129-L131 PolarHBondContact OD1-N 2.84Å; L131-R135 PolarHBondContact O-NH2 3.5Å; L131-E150 HydrophobicContact CD2-CB 3.72Å; L131-W154 HydrophobicContact CD1-CB 3.46Å; L131-W154 VanDerWaalsContact CD1-CB 3.46Å; L131-W154 HydrophobicContact CD1-CD2 4.01Å; L131-W154 HydrophobicContact CD1-CG 3.27Å; L131-W154 HydrophobicContact CD2-CB 4.39Å
132I85.5Confident80.9Confident32 Ų3279.7 Ų79.716%0.16442%0.422CS..SBendtrans-105.5101.9-176.3-60.7179.2000109L124 M125 R144L124-I132 HydrophobicContact CB-CD1 3.93Å; L124-I132 HydrophobicContact CD1-CD1 4.25Å; L124-I132 HydrophobicContact CG-CD1 4.48Å; M125-I132 HydrophobicContact CE-CD1 3.29Å; M125-I132 HydrophobicContact CE-CG2 4.26Å; I132-R144 HydrophobicContact CG2-CB 3.59Å; I132-R144 HydrophobicContact CG2-CG 4.27Å
133Q86.3Confident81.3Confident83 Ų8382.9 Ų82.939%0.38844%0.437SS..EExtended strand (participates in β ladder)trans-143.9167.9-174.8-65.9-175.4-10.700111.1N130 R135 R144 A145N130-Q133 WeakPolarHBondContact O-CG 3.35Å; N130-Q133 PolarHBondContact O-NE2 3.26Å; N130-Q133 PolarHBondContact OD1-NE2 3.37Å; Q133-R135 PolarHBondContact O-N 2.91Å; Q133-R144 CarbonylContact O-C 3.55Å; Q133-R144 WeakPolarHBondContact O-CA 3.43Å; Q133-R144 PolarHBondContact O-N 2.86Å; Q133-A145 PolarHBondContact N-O 3.43Å; Q133-A145 PolarHBondContact O-N 3.45Å
134T87.5Confident81.4Confident90 Ų9084.9 Ų84.955%0.55244%0.443SS*.EExtended strand (participates in β ladder)trans-72.2125.5168.8-57.80000109.1A141 F142 E143T134-A141 HydrophobicContact CG2-CB 4.32Å; T134-F142 WeakPolarHBondContact CA-O 2.98Å; T134-E143 HydrophobicContact CG2-CG 4.41Å
135R89Confident81.6Confident46 Ų4684.6 Ų84.617%0.17444%0.441CS..EExtended strand (participates in β ladder)trans-131.3151.9179-61-170.6-173.4-151.54.4110.1L131 Q133 F142 A145 E150 L195L131-R135 PolarHBondContact O-NH2 3.5Å; Q133-R135 PolarHBondContact O-N 2.91Å; R135-F142 PolarHBondContact N-O 3.38Å; R135-F142 PolarHBondContact O-N 3.21Å; R135-A145 HydrophobicContact CB-CB 4.24Å; R135-A145 HydrophobicContact CG-CB 4.43Å; R135-E150 IonicContact CZ-OE1 2.65Å; R135-E150 IonicContact CZ-OE2 3.58Å; R135-E150 IonicContact NH1-OE1 3.24Å; R135-E150 PolarHBondContact NH1-OE1 3.23Å; R135-E150 IonicContact NH1-OE2 3.43Å; R135-E150 PolarHBondContact NH1-OE2 2.96Å; R135-E150 IonicContact NH2-OE1 3.56Å; R135-E150 IonicContact NH2-OE2 3.95Å; R135-E150 PolarHBondContact NH2-OE2 3.37Å; R135-L195 HydrophobicContact CB-CD1 3.92Å; R135-L195 HydrophobicContact CB-CD2 4.21Å
136E86.4Confident82.4Confident155 Ų15583 Ų8372%0.72443%0.433SS*.EExtended strand (participates in β ladder)trans-107.3134.6179.1-68.4-176.3171.500111.1M140 A141E136-M140 VanDerWaalsContact CA-O 3.31Å; E136-M140 WeakPolarHBondContact CA-O 3.16Å; E136-A141 HydrophobicContact CG-CB 3.99Å
137E82.6Confident83.5Confident46 Ų4677.6 Ų77.622%0.21541%0.405CS..EExtended strand (participates in β ladder)trans-137.8130.2172.9-160.1-179161.200108.6G139 M140 F142 L195E137-G139 PolarHBondContact O-N 2.95Å; E137-G139 VanDerWaalsContact O-N 3.12Å; E137-M140 PolarHBondContact N-O 2.96Å; E137-M140 PolarHBondContact O-N 2.9Å; E137-F142 HydrophobicContact CB-CD2 4.17Å; E137-F142 HydrophobicContact CB-CE2 3.89Å; E137-L195 HydrophobicContact CB-CD1 3.8Å; E137-L195 WeakPolarHBondContact OE2-CB 3.28Å; E137-L195 WeakPolarHBondContact OE2-CD1 3.42Å; E137-L195 VanDerWaalsContact OE2-CG 3.26Å; E137-L195 WeakPolarHBondContact OE2-CG 3.42Å
138E80.6Confident84.6Confident173 Ų17374.8 Ų74.881%0.80839%0.388SS*.THydrogen-bonded Turntrans52.332.2-177.6-58-173.8158.900114.8M140E138-M140 VanDerWaalsContact C-N 3.3Å; E138-M140 PolarHBondContact O-N 3.39Å
139G80Confident86.1Confident71 Ų7166.5 Ų66.573%0.73235%0.352SS*.THydrogen-bonded Turntrans80.46.5-179.400000114.7E137E137-G139 PolarHBondContact O-N 2.95Å; E137-G139 VanDerWaalsContact O-N 3.12Å
140M84.8Confident87.3Confident126 Ų12668 Ų6862%0.62136%0.358SS*.EExtended strand (participates in β ladder)trans-107.9129.6175-64.6-69.1-76.500110E136 E137 E138 F142E136-M140 VanDerWaalsContact CA-O 3.31Å; E136-M140 WeakPolarHBondContact CA-O 3.16Å; E137-M140 PolarHBondContact N-O 2.96Å; E137-M140 PolarHBondContact O-N 2.9Å; E138-M140 VanDerWaalsContact C-N 3.3Å; E138-M140 PolarHBondContact O-N 3.39Å; M140-F142 HydrophobicContact CB-CE2 3.81Å; M140-F142 HydrophobicContact CB-CZ 3.88Å; M140-F142 WeakPolarHBondContact O-CD2 3.3Å; M140-F142 WeakPolarHBondContact O-CE2 3.45Å
141A87.6Confident88.1Confident63 Ų6362.2 Ų62.252%0.52133%0.327SS..EExtended strand (participates in β ladder)trans-85.7125.917500000111.1T134 E136T134-A141 HydrophobicContact CG2-CB 4.32Å; E136-A141 HydrophobicContact CG-CB 3.99Å
142F85.9Confident88.7Confident36 Ų3661 Ų6116%0.15832%0.321CS..EExtended strand (participates in β ladder)trans-110.9107.3177.8-64-76000109.5T134 R135 E137 M140 A145 V183 L195T134-F142 WeakPolarHBondContact CA-O 2.98Å; R135-F142 PolarHBondContact N-O 3.38Å; R135-F142 PolarHBondContact O-N 3.21Å; E137-F142 HydrophobicContact CB-CD2 4.17Å; E137-F142 HydrophobicContact CB-CE2 3.89Å; M140-F142 HydrophobicContact CB-CE2 3.81Å; M140-F142 HydrophobicContact CB-CZ 3.88Å; M140-F142 WeakPolarHBondContact O-CD2 3.3Å; M140-F142 WeakPolarHBondContact O-CE2 3.45Å; F142-A145 HydrophobicContact CB-CB 4.07Å; F142-V183 HydrophobicContact CB-CG1 4.15Å; F142-V183 HydrophobicContact CD1-CB 3.62Å; F142-V183 HydrophobicContact CD1-CG1 3.89Å; F142-V183 HydrophobicContact CD1-CG2 4.34Å; F142-V183 HydrophobicContact CD2-CB 4.28Å; F142-V183 HydrophobicContact CD2-CG1 4.49Å; F142-V183 HydrophobicContact CD2-CG2 4.17Å; F142-V183 HydrophobicContact CE1-CB 3.66Å; F142-V183 HydrophobicContact CE1-CG1 4.43Å; F142-V183 HydrophobicContact CE1-CG2 4.17Å; F142-V183 HydrophobicContact CE2-CB 4.31Å; F142-V183 HydrophobicContact CE2-CG2 4Å; F142-V183 HydrophobicContact CG-CB 3.94Å; F142-V183 HydrophobicContact CG-CG1 3.91Å; F142-V183 HydrophobicContact CG-CG2 4.33Å; F142-V183 HydrophobicContact CZ-CB 4.01Å; F142-V183 HydrophobicContact CZ-CG2 3.98Å; F142-L195 HydrophobicContact CD2-CD1 4.14Å
143E84.4Confident89.1Confident135 Ų13563.1 Ų63.163%0.63133%0.333SS*.EExtended strand (participates in β ladder)trans-66.5144.8175.1-63.8-173.7174.500111.6T134 A145 Q197T134-E143 HydrophobicContact CG2-CG 4.41Å; E143-A145 PolarHBondContact O-N 3.37Å; E143-A145 VanDerWaalsContact O-N 3.14Å; E143-Q197 PolarHBondContact O-NE2 3.11Å
144R84.1Confident89.5Confident107 Ų10759.6 Ų59.640%0.40432%0.316SS..EExtended strand (participates in β ladder)trans53.835.8174.1-52.7177.969.3-160.8-0.5113.1Y121 M125 I132 Q133Y121-R144 PolarHBondContact OH-NH2 2.72Å; M125-R144 PolarHBondContact SD-NH2 2.77Å; M125-R144 VanDerWaalsContact SD-NH2 3.35Å; I132-R144 HydrophobicContact CG2-CB 3.59Å; I132-R144 HydrophobicContact CG2-CG 4.27Å; Q133-R144 CarbonylContact O-C 3.55Å; Q133-R144 WeakPolarHBondContact O-CA 3.43Å; Q133-R144 PolarHBondContact O-N 2.86Å
145A90.4Very high89.8Confident0 Ų055.3 Ų55.30%029%0.289CS..EExtended strand (participates in β ladder)trans-80148.3175.300000110.8Q133 R135 F142 E143 L195 Y196 Q197Q133-A145 PolarHBondContact N-O 3.43Å; Q133-A145 PolarHBondContact O-N 3.45Å; R135-A145 HydrophobicContact CB-CB 4.24Å; R135-A145 HydrophobicContact CG-CB 4.43Å; F142-A145 HydrophobicContact CB-CB 4.07Å; E143-A145 PolarHBondContact O-N 3.37Å; E143-A145 VanDerWaalsContact O-N 3.14Å; A145-L195 HydrophobicContact CB-CB 4.49Å; A145-L195 HydrophobicContact CB-CD1 4.37Å; A145-L195 HydrophobicContact CB-CD2 4.36Å; A145-Y196 CarbonylContact C-O 3.48Å; A145-Y196 WeakPolarHBondContact CA-O 3.37Å; A145-Q197 HydrophobicContact CB-CG 4.35Å
146L92.9Very high90.1Very high5 Ų555.8 Ų55.83%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-117.6140.7171.259.6125.8000109.6F151 L195 Y196 F198L146-F151 HydrophobicContact CD1-CB 3.74Å; L146-F151 HydrophobicContact CD1-CD1 3.94Å; L146-F151 HydrophobicContact CD1-CD2 4.5Å; L146-F151 HydrophobicContact CD1-CG 3.81Å; L146-L195 WeakPolarHBondContact O-CA 3.42Å; L146-Y196 VanDerWaalsContact CD2-O 3.29Å; L146-Y196 WeakPolarHBondContact CD2-O 3.38Å; L146-Y196 VanDerWaalsContact CG-O 3.29Å; L146-Y196 WeakPolarHBondContact CG-O 3.46Å; L146-Y196 PolarHBondContact N-O 3.22Å; L146-Y196 PolarHBondContact O-N 2.95Å; L146-F198 HydrophobicContact CD2-CD2 3.74Å; L146-F198 HydrophobicContact CD2-CE2 3.86Å
147V94.8Very high90.4Very high14 Ų1455.8 Ų55.89%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-85134.5166.61660000108.9S149 E150 F151 L195V147-S149 WeakPolarHBondContact CG1-OG 3.36Å; V147-S149 PolarHBondContact O-N 3.48Å; V147-E150 HydrophobicContact CB-CB 4.29Å; V147-E150 HydrophobicContact CB-CG 4.05Å; V147-E150 HydrophobicContact CG1-CG 4.08Å; V147-E150 PolarHBondContact O-N 3.11Å; V147-F151 WeakPolarHBondContact O-CB 3.39Å; V147-F151 PolarHBondContact O-N 3.21Å; V147-L195 HydrophobicContact CG2-CD2 3.46Å; V147-L195 VanDerWaalsContact CG2-CD2 3.46Å
148A95.3Very high90.7Very high0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-59.8-44.1-176.400000113.6E150 F151 I152 F189 V190 L194 Y196A148-E150 PolarHBondContact O-N 3.41Å; A148-F151 PolarHBondContact O-N 2.69Å; A148-I152 WeakPolarHBondContact O-CG1 3.33Å; A148-I152 PolarHBondContact O-N 3.19Å; A148-F189 HydrophobicContact CB-CE1 4.27Å; A148-F189 HydrophobicContact CB-CE2 3.83Å; A148-F189 HydrophobicContact CB-CZ 3.65Å; A148-V190 WeakPolarHBondContact CB-O 3.38Å; A148-L194 PolarHBondContact N-O 3.26Å; A148-L194 VanDerWaalsContact N-O 3.12Å; A148-Y196 HydrophobicContact CB-CD2 3.89Å; A148-Y196 HydrophobicContact CB-CE2 3.57Å
149S96.4Very high91.2Very high31 Ų3152.7 Ų52.722%0.21730%0.296CS..Hα-helixtrans-62.7-41.6179.361.60000112.4V147 I152 D153 D191 G192V147-S149 WeakPolarHBondContact CG1-OG 3.36Å; V147-S149 PolarHBondContact O-N 3.48Å; S149-I152 PolarHBondContact O-N 2.89Å; S149-D153 VanDerWaalsContact O-CG 3.26Å; S149-D153 PolarHBondContact O-N 2.92Å; S149-D191 WeakPolarHBondContact CA-OD1 3.05Å; S149-D191 WeakPolarHBondContact CB-OD1 3.46Å; S149-G192 PolarHBondContact N-O 3.13Å
150E95.5Very high91.6Very high65 Ų6550.6 Ų50.630%0.30427%0.267SS..Hα-helixtrans-68.2-36.6176.8-63.2178.3-159.600111.9L131 R135 V147 A148 I152 D153 W154L131-E150 HydrophobicContact CD2-CB 3.72Å; R135-E150 IonicContact CZ-OE1 2.65Å; R135-E150 IonicContact CZ-OE2 3.58Å; R135-E150 IonicContact NH1-OE1 3.24Å; R135-E150 PolarHBondContact NH1-OE1 3.23Å; R135-E150 IonicContact NH1-OE2 3.43Å; R135-E150 PolarHBondContact NH1-OE2 2.96Å; R135-E150 IonicContact NH2-OE1 3.56Å; R135-E150 IonicContact NH2-OE2 3.95Å; R135-E150 PolarHBondContact NH2-OE2 3.37Å; V147-E150 HydrophobicContact CB-CB 4.29Å; V147-E150 HydrophobicContact CB-CG 4.05Å; V147-E150 HydrophobicContact CG1-CG 4.08Å; V147-E150 PolarHBondContact O-N 3.11Å; A148-E150 PolarHBondContact O-N 3.41Å; E150-I152 VanDerWaalsContact C-N 3.34Å; E150-D153 PolarHBondContact O-N 3.24Å; E150-W154 WeakPolarHBondContact O-CB 3.36Å; E150-W154 PolarHBondContact O-N 3.38Å
151F95.2Very high92Very high3 Ų345.5 Ų45.51%0.01324%0.242CC..Hα-helixtrans-65-39.2173.9178.2-126.4000111.5L120 L124 L146 V147 A148 W154 L155 L174 F189L120-F151 HydrophobicContact CD1-CZ 4.44Å; L124-F151 HydrophobicContact CD1-CD2 4.31Å; L124-F151 HydrophobicContact CD1-CE2 3.88Å; L146-F151 HydrophobicContact CD1-CB 3.74Å; L146-F151 HydrophobicContact CD1-CD1 3.94Å; L146-F151 HydrophobicContact CD1-CD2 4.5Å; L146-F151 HydrophobicContact CD1-CG 3.81Å; V147-F151 WeakPolarHBondContact O-CB 3.39Å; V147-F151 PolarHBondContact O-N 3.21Å; A148-F151 PolarHBondContact O-N 2.69Å; F151-W154 AromaticContact CD2-CE3 3.93Å; F151-W154 HydrophobicContact CD2-CE3 3.93Å; F151-W154 HydrophobicContact CD2-CZ3 4.43Å; F151-W154 AromaticContact CE2-CE3 3.78Å; F151-W154 HydrophobicContact CE2-CE3 3.78Å; F151-W154 AromaticContact CE2-CZ3 3.83Å; F151-W154 HydrophobicContact CE2-CZ3 3.83Å; F151-W154 PolarHBondContact O-N 3.38Å; F151-L155 HydrophobicContact CD1-CD1 4.18Å; F151-L155 HydrophobicContact CD2-CG 4.38Å; F151-L155 HydrophobicContact CE1-CD1 3.79Å; F151-L155 HydrophobicContact CE1-CG 4.47Å; F151-L155 HydrophobicContact CE2-CD1 4.22Å; F151-L155 HydrophobicContact CE2-CD2 4.08Å; F151-L155 HydrophobicContact CE2-CG 4.01Å; F151-L155 HydrophobicContact CZ-CD1 3.81Å; F151-L155 HydrophobicContact CZ-CD2 4.08Å; F151-L155 HydrophobicContact CZ-CG 4.07Å; F151-L155 VanDerWaalsContact O-CG 3.3Å; F151-L155 WeakPolarHBondContact O-CG 3.46Å; F151-L155 PolarHBondContact O-N 3.18Å; F151-L174 HydrophobicContact CE1-CD1 4.23Å; F151-L174 HydrophobicContact CZ-CD1 4.21Å; F151-F189 HydrophobicContact CD1-CE2 4.1Å; F151-F189 AromaticContact CD1-CZ 3.86Å; F151-F189 HydrophobicContact CD1-CZ 3.86Å; F151-F189 HydrophobicContact CE1-CZ 4.49Å
152I96.4Very high92.1Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-62.9-46.6173-73.1167.9000110.7A148 S149 E150 W154 L155 L156 R164 A167 E168 F189 D191A148-I152 WeakPolarHBondContact O-CG1 3.33Å; A148-I152 PolarHBondContact O-N 3.19Å; S149-I152 PolarHBondContact O-N 2.89Å; E150-I152 VanDerWaalsContact C-N 3.34Å; I152-W154 VanDerWaalsContact C-N 3.26Å; I152-W154 PolarHBondContact O-N 3.04Å; I152-L155 WeakPolarHBondContact O-CB 3.46Å; I152-L155 PolarHBondContact O-N 3.39Å; I152-L155 VanDerWaalsContact O-N 3.12Å; I152-L156 HydrophobicContact CG2-CD1 4.37Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.29Å; I152-R164 HydrophobicContact CG2-CB 4.15Å; I152-R164 HydrophobicContact CG2-CG 3.99Å; I152-A167 HydrophobicContact CB-CB 4.35Å; I152-A167 HydrophobicContact CG1-CB 4.07Å; I152-A167 HydrophobicContact CG2-CB 3.9Å; I152-E168 HydrophobicContact CD1-CB 4.14Å; I152-F189 HydrophobicContact CD1-CE1 4.06Å; I152-F189 HydrophobicContact CG1-CE1 4.24Å; I152-F189 HydrophobicContact CG1-CZ 4.42Å; I152-D191 HydrophobicContact CD1-CB 3.51Å
153D95.2Very high92.6Very high77 Ų7747.7 Ų47.741%0.41225%0.253SS..Hα-helixtrans-56.4-44.4177.4-69-27.5000111.4S149 E150 L156 Q157 R164S149-D153 VanDerWaalsContact O-CG 3.26Å; S149-D153 PolarHBondContact O-N 2.92Å; E150-D153 PolarHBondContact O-N 3.24Å; D153-L156 PolarHBondContact O-N 2.99Å; D153-Q157 WeakPolarHBondContact O-CB 3.44Å; D153-Q157 PolarHBondContact O-N 3.46Å; D153-R164 IonicContact OD1-CZ 3.65Å; D153-R164 IonicContact OD1-NH1 3.55Å; D153-R164 PolarHBondContact OD1-NH1 3.27Å; D153-R164 IonicContact OD1-NH2 2.67Å
154W94.8Very high93.2Very high9 Ų944.9 Ų44.93%0.03424%0.237CC..Hα-helixtrans-64.3-41176.6177.576.2000113L120 K123 L124 L131 E150 F151 I152 L156 Q157 E158L120-W154 HydrophobicContact CB-CZ3 4.49Å; L120-W154 HydrophobicContact CD2-CH2 4.1Å; L120-W154 HydrophobicContact CD2-CZ3 3.92Å; K123-W154 HydrophobicContact CB-CH2 3.95Å; K123-W154 HydrophobicContact CB-CZ2 3.9Å; L124-W154 HydrophobicContact CD1-CH2 4.34Å; L124-W154 HydrophobicContact CD1-CZ3 4.12Å; L124-W154 HydrophobicContact CD2-CD2 3.75Å; L124-W154 HydrophobicContact CD2-CE3 3.89Å; L124-W154 HydrophobicContact CD2-CG 4.39Å; L124-W154 HydrophobicContact CD2-CH2 4.04Å; L124-W154 HydrophobicContact CD2-CZ2 3.88Å; L124-W154 HydrophobicContact CD2-CZ3 4.03Å; L124-W154 HydrophobicContact CG-CD2 4.4Å; L124-W154 HydrophobicContact CG-CE3 4.19Å; L124-W154 HydrophobicContact CG-CH2 3.62Å; L124-W154 HydrophobicContact CG-CZ2 3.83Å; L124-W154 HydrophobicContact CG-CZ3 3.8Å; L131-W154 HydrophobicContact CD1-CB 3.46Å; L131-W154 VanDerWaalsContact CD1-CB 3.46Å; L131-W154 HydrophobicContact CD1-CD2 4.01Å; L131-W154 HydrophobicContact CD1-CG 3.27Å; L131-W154 HydrophobicContact CD2-CB 4.39Å; E150-W154 WeakPolarHBondContact O-CB 3.36Å; E150-W154 PolarHBondContact O-N 3.38Å; F151-W154 AromaticContact CD2-CE3 3.93Å; F151-W154 HydrophobicContact CD2-CE3 3.93Å; F151-W154 HydrophobicContact CD2-CZ3 4.43Å; F151-W154 AromaticContact CE2-CE3 3.78Å; F151-W154 HydrophobicContact CE2-CE3 3.78Å; F151-W154 AromaticContact CE2-CZ3 3.83Å; F151-W154 HydrophobicContact CE2-CZ3 3.83Å; F151-W154 PolarHBondContact O-N 3.38Å; I152-W154 VanDerWaalsContact C-N 3.26Å; I152-W154 PolarHBondContact O-N 3.04Å; W154-L156 VanDerWaalsContact C-N 3.27Å; W154-L156 PolarHBondContact O-N 3.32Å; W154-Q157 PolarHBondContact O-N 3.46Å; W154-E158 HydrophobicContact CD2-CG 4.12Å; W154-E158 VanDerWaalsContact CE2-CG 3.48Å; W154-E158 HydrophobicContact CG-CG 4.45Å; W154-E158 HydrophobicContact CH2-CG 4.45Å; W154-E158 HydrophobicContact CZ2-CG 3.69Å; W154-E158 WeakPolarHBondContact O-CB 3.4Å; W154-E158 PolarHBondContact O-N 3.31Å
155L93.9Very high93.8Very high0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-61.3-37176.4-73.7171.8000112.2L120 F151 I152 E160 M161 A167 L170L120-L155 HydrophobicContact CD1-CD2 4.04Å; L120-L155 HydrophobicContact CD2-CD2 3.62Å; L120-L155 HydrophobicContact CG-CD2 4.44Å; F151-L155 HydrophobicContact CD1-CD1 4.18Å; F151-L155 HydrophobicContact CD2-CG 4.38Å; F151-L155 HydrophobicContact CE1-CD1 3.79Å; F151-L155 HydrophobicContact CE1-CG 4.47Å; F151-L155 HydrophobicContact CE2-CD1 4.22Å; F151-L155 HydrophobicContact CE2-CD2 4.08Å; F151-L155 HydrophobicContact CE2-CG 4.01Å; F151-L155 HydrophobicContact CZ-CD1 3.81Å; F151-L155 HydrophobicContact CZ-CD2 4.08Å; F151-L155 HydrophobicContact CZ-CG 4.07Å; F151-L155 VanDerWaalsContact O-CG 3.3Å; F151-L155 WeakPolarHBondContact O-CG 3.46Å; F151-L155 PolarHBondContact O-N 3.18Å; I152-L155 WeakPolarHBondContact O-CB 3.46Å; I152-L155 PolarHBondContact O-N 3.39Å; I152-L155 VanDerWaalsContact O-N 3.12Å; L155-E160 HydrophobicContact CB-CB 4.5Å; L155-E160 HydrophobicContact CD2-CB 3.84Å; L155-E160 HydrophobicContact CD2-CG 4.35Å; L155-E160 WeakPolarHBondContact O-CB 3.33Å; L155-E160 PolarHBondContact O-N 2.78Å; L155-M161 HydrophobicContact CB-CG 4.41Å; L155-M161 PolarHBondContact O-N 3.45Å; L155-A167 HydrophobicContact CB-CB 4.36Å; L155-A167 HydrophobicContact CD1-CB 4.04Å; L155-L170 HydrophobicContact CD1-CD2 4.24Å; L155-L170 HydrophobicContact CD2-CD2 4.37Å
156L94.4Very high93.8Very high55 Ų5549.6 Ų49.629%0.28826%0.263SS..Hα-helixtrans-69.6-45.4174.2-64.8177.2000111.2I152 D153 W154 E158 A159 M161 R164I152-L156 HydrophobicContact CG2-CD1 4.37Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.29Å; D153-L156 PolarHBondContact O-N 2.99Å; W154-L156 VanDerWaalsContact C-N 3.27Å; W154-L156 PolarHBondContact O-N 3.32Å; L156-E158 VanDerWaalsContact C-N 3.33Å; L156-E158 PolarHBondContact O-N 2.84Å; L156-A159 PolarHBondContact O-N 2.97Å; L156-M161 VanDerWaalsContact CD2-O 3.27Å; L156-M161 WeakPolarHBondContact CD2-O 3.45Å; L156-R164 HydrophobicContact CD1-CG 3.74Å
157Q93.3Very high93.9Very high156 Ų15649.3 Ų49.373%0.72926%0.262SS*.Hα-helixtrans-60.9-40.7-179.6-176-179.2-0.700112.5D153 W154 A159D153-Q157 WeakPolarHBondContact O-CB 3.44Å; D153-Q157 PolarHBondContact O-N 3.46Å; W154-Q157 PolarHBondContact O-N 3.46Å; Q157-A159 PolarHBondContact O-N 3.28Å
158E89.3Confident93.9Very high66 Ų6650.1 Ų50.131%0.30827%0.265SS..THydrogen-bonded Turntrans-78.33.3177.1-72.2-69.314000113.7K123 W154 L156 E160K123-E158 IonicContact NZ-OE2 2.71Å; W154-E158 HydrophobicContact CD2-CG 4.12Å; W154-E158 VanDerWaalsContact CE2-CG 3.48Å; W154-E158 HydrophobicContact CG-CG 4.45Å; W154-E158 HydrophobicContact CH2-CG 4.45Å; W154-E158 HydrophobicContact CZ2-CG 3.69Å; W154-E158 WeakPolarHBondContact O-CB 3.4Å; W154-E158 PolarHBondContact O-N 3.31Å; L156-E158 VanDerWaalsContact C-N 3.33Å; L156-E158 PolarHBondContact O-N 2.84Å; E158-E160 HydrophobicContact CB-CG 4.01Å; E158-E160 PolarHBondContact O-N 2.65Å; E158-E160 VanDerWaalsContact O-N 3.14Å
159A90.6Very high93.8Very high88 Ų8855.3 Ų55.373%0.72729%0.289SS*.THydrogen-bonded Turntrans52.230.6-172.300000112.9L156 Q157L156-A159 PolarHBondContact O-N 2.97Å; Q157-A159 PolarHBondContact O-N 3.28Å
160E88.7Confident93.6Very high27 Ų2754.2 Ų54.213%0.12628%0.281CS..SBendtrans-73.8-36172.5-73.6-70156.900110.1R116 L120 K123 L155 E158R116-E160 PolarHBondContact NH2-O 3.49Å; R116-E160 IonicContact NH2-OE2 2.87Å; L120-E160 HydrophobicContact CD2-CB 4.2Å; L120-E160 HydrophobicContact CD2-CG 3.63Å; K123-E160 WeakPolarHBondContact CE-OE1 3.44Å; K123-E160 IonicContact NZ-OE1 3.86Å; K123-E160 PolarHBondContact NZ-OE1 3.26Å; L155-E160 HydrophobicContact CB-CB 4.5Å; L155-E160 HydrophobicContact CD2-CB 3.84Å; L155-E160 HydrophobicContact CD2-CG 4.35Å; L155-E160 WeakPolarHBondContact O-CB 3.33Å; L155-E160 PolarHBondContact O-N 2.78Å; E158-E160 HydrophobicContact CB-CG 4.01Å; E158-E160 PolarHBondContact O-N 2.65Å; E158-E160 VanDerWaalsContact O-N 3.14Å
161M92.1Very high93.4Very high19 Ų1951.1 Ų51.19%0.09427%0.266CS..  trans-131.8147.4176.6-61.6-56-59.300110.9R116 L155 L156 E166 A167 L170R116-M161 VanDerWaalsContact CZ-SD 3.52Å; R116-M161 PolarHBondContact NH2-SD 2.87Å; L155-M161 HydrophobicContact CB-CG 4.41Å; L155-M161 PolarHBondContact O-N 3.45Å; L156-M161 VanDerWaalsContact CD2-O 3.27Å; L156-M161 WeakPolarHBondContact CD2-O 3.45Å; M161-E166 HydrophobicContact CE-CB 3.33Å; M161-E166 HydrophobicContact CE-CG 4.4Å; M161-A167 HydrophobicContact CB-CB 3.94Å; M161-A167 HydrophobicContact CG-CB 4.1Å; M161-L170 HydrophobicContact CG-CD2 3.87Å; M161-L170 HydrophobicContact SD-CB 4.49Å; M161-L170 HydrophobicContact SD-CD2 3.76Å
162P90.8Very high93.2Very high94 Ų9455.2 Ų55.261%0.6128%0.282SS*.SBendtrans-86.4-25.6-178.433.5-34.6000113.7E166P162-E166 WeakPolarHBondContact CD-OE2 3.26Å; P162-E166 WeakPolarHBondContact CG-OE2 3.14Å
163T96.7Very high92.9Very high51 Ų5160.1 Ų60.131%0.31330%0.3SS..SBendtrans-137.4157.1-176.168.40000111.8E165 E166 A167T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 WeakPolarHBondContact CB-OE2 3.29Å; T163-E165 PolarHBondContact O-N 3.36Å; T163-E166 PolarHBondContact O-N 3.01Å; T163-E166 WeakPolarHBondContact OG1-CB 3.46Å; T163-E166 VanDerWaalsContact OG1-CG 3.27Å; T163-E166 WeakPolarHBondContact OG1-CG 3.49Å; T163-E166 PolarHBondContact OG1-N 2.93Å; T163-A167 WeakPolarHBondContact O-CB 3.45Å; T163-A167 PolarHBondContact O-N 3.19Å
164R96.9Very high92.5Very high76 Ų7656.5 Ų56.529%0.28728%0.281SS..Hα-helixtrans-62.9-39.9178.3-69.8-170.88181.93.2111.1I152 D153 L156 E166 A167 E168 D191I152-R164 HydrophobicContact CG2-CB 4.15Å; I152-R164 HydrophobicContact CG2-CG 3.99Å; D153-R164 IonicContact OD1-CZ 3.65Å; D153-R164 IonicContact OD1-NH1 3.55Å; D153-R164 PolarHBondContact OD1-NH1 3.27Å; D153-R164 IonicContact OD1-NH2 2.67Å; L156-R164 HydrophobicContact CD1-CG 3.74Å; R164-E166 PolarHBondContact O-N 3.31Å; R164-A167 WeakPolarHBondContact O-CB 3.43Å; R164-A167 PolarHBondContact O-N 3.49Å; R164-E168 WeakPolarHBondContact O-CB 3.25Å; R164-E168 PolarHBondContact O-N 3.3Å; R164-D191 IonicContact CZ-OD1 3.29Å; R164-D191 IonicContact CZ-OD2 3.76Å; R164-D191 IonicContact NE-OD2 3.55Å; R164-D191 PolarHBondContact NE-OD2 3.44Å; R164-D191 IonicContact NH2-OD1 3.77Å; R164-D191 PolarHBondContact NH2-OD1 3.08Å; R164-D191 IonicContact NH2-OD2 2.91Å; R164-D191 PolarHBondContact NH2-OD2 3.18Å
165E95.3Very high92.2Very high120 Ų12057.6 Ų57.656%0.56129%0.287SS*.Hα-helixtrans-62.8-43.3-179.3-63.574-164.300111.1T163 E168 Q169T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 WeakPolarHBondContact CB-OE2 3.29Å; T163-E165 PolarHBondContact O-N 3.36Å; E165-E168 PolarHBondContact O-N 3.47Å; E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 3.03Å
166E91.9Very high91.6Very high85 Ų8563.2 Ų63.240%0.39731%0.314SS..Hα-helixtrans-70.5-35.8176.5-67.3-176.9-166.400111.8M161 P162 T163 R164 Q169 L170M161-E166 HydrophobicContact CE-CB 3.33Å; M161-E166 HydrophobicContact CE-CG 4.4Å; P162-E166 WeakPolarHBondContact CD-OE2 3.26Å; P162-E166 WeakPolarHBondContact CG-OE2 3.14Å; T163-E166 PolarHBondContact O-N 3.01Å; T163-E166 WeakPolarHBondContact OG1-CB 3.46Å; T163-E166 VanDerWaalsContact OG1-CG 3.27Å; T163-E166 WeakPolarHBondContact OG1-CG 3.49Å; T163-E166 PolarHBondContact OG1-N 2.93Å; R164-E166 PolarHBondContact O-N 3.31Å; E166-Q169 PolarHBondContact O-N 3.02Å; E166-L170 PolarHBondContact O-N 2.8Å
167A95.1Very high90.8Very high0 Ų062 Ų620%031%0.306CS..Hα-helixtrans-63.8-40174.100000112.4I152 L155 M161 T163 R164 L170 G171I152-A167 HydrophobicContact CB-CB 4.35Å; I152-A167 HydrophobicContact CG1-CB 4.07Å; I152-A167 HydrophobicContact CG2-CB 3.9Å; L155-A167 HydrophobicContact CB-CB 4.36Å; L155-A167 HydrophobicContact CD1-CB 4.04Å; M161-A167 HydrophobicContact CB-CB 3.94Å; M161-A167 HydrophobicContact CG-CB 4.1Å; T163-A167 WeakPolarHBondContact O-CB 3.45Å; T163-A167 PolarHBondContact O-N 3.19Å; R164-A167 WeakPolarHBondContact O-CB 3.43Å; R164-A167 PolarHBondContact O-N 3.49Å; A167-L170 WeakPolarHBondContact O-CB 3.47Å; A167-L170 PolarHBondContact O-N 3.21Å; A167-G171 PolarHBondContact O-N 2.88Å
168E95Very high90.1Very high31 Ų3155.4 Ų55.415%0.14528%0.28CS..Hα-helixtrans-64.4-44.1174.3-169.1-173.3177.100111.5I152 R164 E165 L170 G171 R172 F189 V190 D191I152-E168 HydrophobicContact CD1-CB 4.14Å; R164-E168 WeakPolarHBondContact O-CB 3.25Å; R164-E168 PolarHBondContact O-N 3.3Å; E165-E168 PolarHBondContact O-N 3.47Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 2.92Å; E168-G171 PolarHBondContact O-N 3.34Å; E168-G171 VanDerWaalsContact O-N 3.13Å; E168-R172 PolarHBondContact O-N 2.75Å; E168-R172 IonicContact OE1-CZ 3.5Å; E168-R172 IonicContact OE1-NE 3.84Å; E168-R172 IonicContact OE1-NH2 2.63Å; E168-R172 PolarHBondContact OE1-NH2 3.22Å; E168-R172 IonicContact OE2-NH2 3.57Å; E168-F189 HydrophobicContact CG-CD1 4.13Å; E168-F189 HydrophobicContact CG-CE1 4.38Å; E168-F189 WeakPolarHBondContact O-CD1 3.49Å; E168-V190 VanDerWaalsContact OE1-CA 3.29Å; E168-V190 WeakPolarHBondContact OE1-CA 3.21Å; E168-D191 PolarHBondContact OE1-N 3.43Å
169Q92.8Very high89.7Confident108 Ų10852.3 Ų52.351%0.50527%0.266SS..Hα-helixtrans-59.9-40.2174.1-72.2173.327.200112E165 E166 R172 R173E165-Q169 VanDerWaalsContact O-CG 3.31Å; E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 3.03Å; E166-Q169 PolarHBondContact O-N 3.02Å; Q169-R172 PolarHBondContact O-N 3.01Å; Q169-R173 WeakPolarHBondContact O-CG 3.06Å; Q169-R173 PolarHBondContact O-N 3.13Å
170L91.1Very high89.6Confident9 Ų948.2 Ų48.25%0.04723%0.231CC..Hα-helixtrans-60.8-46.5173.4174.960.3000111R116 L120 L155 M161 E166 A167 E168 R172 R173 L174R116-L170 HydrophobicContact CG-CD1 4.46Å; L120-L170 HydrophobicContact CD1-CD2 4.05Å; L155-L170 HydrophobicContact CD1-CD2 4.24Å; L155-L170 HydrophobicContact CD2-CD2 4.37Å; M161-L170 HydrophobicContact CG-CD2 3.87Å; M161-L170 HydrophobicContact SD-CB 4.49Å; M161-L170 HydrophobicContact SD-CD2 3.76Å; E166-L170 PolarHBondContact O-N 2.8Å; A167-L170 WeakPolarHBondContact O-CB 3.47Å; A167-L170 PolarHBondContact O-N 3.21Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 2.92Å; L170-R172 VanDerWaalsContact C-N 3.33Å; L170-R172 PolarHBondContact O-N 3.24Å; L170-R173 PolarHBondContact O-N 2.94Å; L170-L174 HydrophobicContact CD1-CD1 4.49Å; L170-L174 HydrophobicContact CD1-CG 4.23Å; L170-L174 HydrophobicContact CG-CD1 4.27Å; L170-L174 HydrophobicContact CG-CG 4.45Å; L170-L174 VanDerWaalsContact O-CG 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 3.12Å
171G92.9Very high89.7Confident0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-57.7-42175.400000113.1A167 E168 R173 L174 L175 F189A167-G171 PolarHBondContact O-N 2.88Å; E168-G171 PolarHBondContact O-N 3.34Å; E168-G171 VanDerWaalsContact O-N 3.13Å; G171-R173 PolarHBondContact O-N 2.88Å; G171-L174 PolarHBondContact O-N 3.29Å; G171-L175 PolarHBondContact O-N 2.91Å; G171-F189 VanDerWaalsContact C-CG 3.43Å
172R90.6Very high89.6Confident89 Ų8948.6 Ų48.634%0.33623%0.233SC..Hα-helixtrans-60.2-46.5174.2-70.1-179.1-167145.21.1111.9E168 Q169 L170 L174 L175 E176 F189E168-R172 PolarHBondContact O-N 2.75Å; E168-R172 IonicContact OE1-CZ 3.5Å; E168-R172 IonicContact OE1-NE 3.84Å; E168-R172 IonicContact OE1-NH2 2.63Å; E168-R172 PolarHBondContact OE1-NH2 3.22Å; E168-R172 IonicContact OE2-NH2 3.57Å; Q169-R172 PolarHBondContact O-N 3.01Å; L170-R172 VanDerWaalsContact C-N 3.33Å; L170-R172 PolarHBondContact O-N 3.24Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.06Å; R172-L175 WeakPolarHBondContact O-CB 3.42Å; R172-L175 PolarHBondContact O-N 2.68Å; R172-L175 VanDerWaalsContact O-N 3.11Å; R172-E176 WeakPolarHBondContact O-CG 3.33Å; R172-E176 PolarHBondContact O-N 2.87Å; R172-F189 HydrophobicContact CB-CB 4.44Å; R172-F189 HydrophobicContact CG-CB 3.87Å; R172-F189 VanDerWaalsContact CG-O 3.22Å; R172-F189 WeakPolarHBondContact CG-O 3.36Å; R172-F189 PolarHBondContact NE-O 3.23Å; R172-F189 VanDerWaalsContact NE-O 3.14Å
173R88.5Confident89.5Confident103 Ų10345 Ų4539%0.38921%0.209SC..Hα-helixtrans-61.9-41.7176.2-68.7-179.569.8-1695.4112S109 V113 Q169 L170 G171 L175 E176 H177S109-R173 PolarHBondContact O-NH2 3.37Å; V113-R173 HydrophobicContact CG1-CB 4.2Å; V113-R173 HydrophobicContact CG2-CB 4.35Å; Q169-R173 WeakPolarHBondContact O-CG 3.06Å; Q169-R173 PolarHBondContact O-N 3.13Å; L170-R173 PolarHBondContact O-N 2.94Å; G171-R173 PolarHBondContact O-N 2.88Å; R173-L175 PolarHBondContact O-N 3.29Å; R173-E176 PolarHBondContact O-N 3.24Å; R173-H177 WeakPolarHBondContact O-CB 3.37Å; R173-H177 PolarHBondContact O-CD2 2.98Å; R173-H177 PolarHBondContact O-N 3.46Å
174L88.4Confident88.9Confident0 Ų044.6 Ų44.60%021%0.207CC..Hα-helixtrans-61.4-36.5175.8-67175.1000111.5V113 L120 F151 L170 G171 R172 G178 I179 I180V113-L174 HydrophobicContact CG1-CD2 3.95Å; L120-L174 HydrophobicContact CD1-CD1 4.17Å; F151-L174 HydrophobicContact CE1-CD1 4.23Å; F151-L174 HydrophobicContact CZ-CD1 4.21Å; L170-L174 HydrophobicContact CD1-CD1 4.49Å; L170-L174 HydrophobicContact CD1-CG 4.23Å; L170-L174 HydrophobicContact CG-CD1 4.27Å; L170-L174 HydrophobicContact CG-CG 4.45Å; L170-L174 VanDerWaalsContact O-CG 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 3.12Å; G171-L174 PolarHBondContact O-N 3.29Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.06Å; L174-G178 PolarHBondContact O-N 3.11Å; L174-I179 HydrophobicContact CB-CB 4.4Å; L174-I179 HydrophobicContact CD2-CB 4.29Å; L174-I179 HydrophobicContact CD2-CD1 3.64Å; L174-I179 HydrophobicContact CD2-CG2 4.16Å; L174-I179 WeakPolarHBondContact O-CB 3.4Å; L174-I179 PolarHBondContact O-N 2.78Å; L174-I180 HydrophobicContact CB-CD1 3.88Å; L174-I180 HydrophobicContact CB-CG1 3.8Å; L174-I180 HydrophobicContact CB-CG2 4.47Å; L174-I180 PolarHBondContact O-N 3.37Å
175L87.3Confident88.3Confident32 Ų3247.6 Ų47.617%0.16823%0.228CC..Hα-helixtrans-71.2-47.6176.9-175.6144.9000112.2G171 R172 R173 H177 G178 I180 F189 Y196G171-L175 PolarHBondContact O-N 2.91Å; R172-L175 WeakPolarHBondContact O-CB 3.42Å; R172-L175 PolarHBondContact O-N 2.68Å; R172-L175 VanDerWaalsContact O-N 3.11Å; R173-L175 PolarHBondContact O-N 3.29Å; L175-H177 VanDerWaalsContact C-N 3.25Å; L175-H177 PolarHBondContact O-N 2.82Å; L175-G178 PolarHBondContact O-N 3.31Å; L175-I180 WeakPolarHBondContact CA-O 3.49Å; L175-I180 HydrophobicContact CB-CD1 4.47Å; L175-I180 HydrophobicContact CB-CG1 3.98Å; L175-F189 HydrophobicContact CB-CB 4.43Å; L175-F189 HydrophobicContact CD1-CB 4.3Å; L175-Y196 HydrophobicContact CD1-CD1 3.97Å; L175-Y196 HydrophobicContact CD1-CE1 3.64Å
176E82.8Confident87.8Confident119 Ų11949.5 Ų49.556%0.55624%0.235SC*.Hα-helixtrans-58.5-37.2177.8-73.2166.9-175.600112.3R172 R173 G178R172-E176 WeakPolarHBondContact O-CG 3.33Å; R172-E176 PolarHBondContact O-N 2.87Å; R173-E176 PolarHBondContact O-N 3.24Å; E176-G178 VanDerWaalsContact C-N 3.28Å; E176-G178 PolarHBondContact O-N 3.14Å
177H76.3Confident87.6Confident30 Ų3049.8 Ų49.814%0.13924%0.236CC..THydrogen-bonded Turntrans-85.36.2175.8-73.3-75.8000113.8E110 V113 R173 L175 I179E110-H177 IonicContact OE1-CE1 3.05Å; V113-H177 HydrophobicContact CG1-CB 4.23Å; R173-H177 WeakPolarHBondContact O-CB 3.37Å; R173-H177 PolarHBondContact O-CD2 2.98Å; R173-H177 PolarHBondContact O-N 3.46Å; L175-H177 VanDerWaalsContact C-N 3.25Å; L175-H177 PolarHBondContact O-N 2.82Å; H177-I179 VanDerWaalsContact C-N 3.26Å; H177-I179 HydrophobicContact CB-CD1 4.25Å; H177-I179 HydrophobicContact CB-CG1 4.5Å; H177-I179 PolarHBondContact O-N 3Å
178G78.7Confident87.5Confident17 Ų1755.8 Ų55.818%0.17526%0.264CS..THydrogen-bonded Turntrans68.419.4174.200000115L174 L175 E176L174-G178 PolarHBondContact O-N 3.11Å; L175-G178 PolarHBondContact O-N 3.31Å; E176-G178 VanDerWaalsContact C-N 3.28Å; E176-G178 PolarHBondContact O-N 3.14Å
179I81.9Confident87.4Confident1 Ų154.3 Ų54.31%0.00526%0.257CS..SBendtrans-76.8-43.7176.5-64.8161.9000109.8V113 F114 L174 H177 F198 R199 F202V113-I179 HydrophobicContact CG1-CD1 3.86Å; F114-I179 HydrophobicContact CD2-CD1 4.38Å; F114-I179 HydrophobicContact CD2-CG1 4.34Å; L174-I179 HydrophobicContact CB-CB 4.4Å; L174-I179 HydrophobicContact CD2-CB 4.29Å; L174-I179 HydrophobicContact CD2-CD1 3.64Å; L174-I179 HydrophobicContact CD2-CG2 4.16Å; L174-I179 WeakPolarHBondContact O-CB 3.4Å; L174-I179 PolarHBondContact O-N 2.78Å; H177-I179 VanDerWaalsContact C-N 3.26Å; H177-I179 HydrophobicContact CB-CD1 4.25Å; H177-I179 HydrophobicContact CB-CG1 4.5Å; H177-I179 PolarHBondContact O-N 3Å; I179-F198 HydrophobicContact CG2-CD1 4.04Å; I179-F198 HydrophobicContact CG2-CE1 4.11Å; I179-R199 PolarHBondContact O-N 2.8Å; I179-F202 HydrophobicContact CG2-CE2 3.97Å; I179-F202 HydrophobicContact CG2-CZ 3.77Å
180I88.8Confident87.6Confident1 Ų152 Ų521%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-116160.9169.467.4177.7000109.8L174 L175 F189 Q197 F198L174-I180 HydrophobicContact CB-CD1 3.88Å; L174-I180 HydrophobicContact CB-CG1 3.8Å; L174-I180 HydrophobicContact CB-CG2 4.47Å; L174-I180 PolarHBondContact O-N 3.37Å; L175-I180 WeakPolarHBondContact CA-O 3.49Å; L175-I180 HydrophobicContact CB-CD1 4.47Å; L175-I180 HydrophobicContact CB-CG1 3.98Å; I180-F189 HydrophobicContact CD1-CD2 3.62Å; I180-F189 HydrophobicContact CD1-CE2 3.9Å; I180-Q197 CarbonylContact C-O 3.53Å; I180-Q197 VanDerWaalsContact CA-O 3.24Å; I180-Q197 WeakPolarHBondContact CA-O 3.35Å; I180-F198 HydrophobicContact CG2-CD1 3.63Å; I180-F198 HydrophobicContact CG2-CD2 4.2Å; I180-F198 HydrophobicContact CG2-CE1 3.67Å; I180-F198 HydrophobicContact CG2-CE2 4.21Å; I180-F198 HydrophobicContact CG2-CG 3.93Å; I180-F198 HydrophobicContact CG2-CZ 3.96Å
181Q89.7Confident87.8Confident54 Ų5454.1 Ų54.125%0.25226%0.261SS..EExtended strand (participates in β ladder)trans-140.3149.3175.267.1179.839.200109.8Y196 Q197 R199Q181-Y196 CarbonylContact O-C 3.56Å; Q181-Y196 WeakPolarHBondContact O-CA 3.49Å; Q181-Y196 WeakPolarHBondContact O-CB 3.44Å; Q181-Q197 HydrophobicContact CG-CB 4.45Å; Q181-Q197 PolarHBondContact N-O 2.96Å; Q181-Q197 PolarHBondContact O-N 3.43Å; Q181-R199 HydrophobicContact CG-CB 4.44Å; Q181-R199 VanDerWaalsContact OE1-CD 3.23Å; Q181-R199 VanDerWaalsContact OE1-CG 3.31Å
182H90.9Very high87.9Confident1 Ų154.8 Ų54.81%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-68139.4165-174-95.7000109.3T184 N185 H187 L195 Y196H182-T184 VanDerWaalsContact C-N 3.25Å; H182-T184 PolarHBondContact CE1-OG1 3.45Å; H182-T184 PolarHBondContact ND1-N 3.49Å; H182-T184 VanDerWaalsContact ND1-N 3.19Å; H182-T184 PolarHBondContact ND1-OG1 3.3Å; H182-T184 PolarHBondContact O-N 3.03Å; H182-N185 PolarHBondContact O-N 3.45Å; H182-H187 WeakPolarHBondContact CB-O 3.4Å; H182-H187 AromaticContact CE1-CD2 3.38Å; H182-H187 PolarHBondContact CE1-CD2 2.96Å; H182-H187 AromaticContact ND1-CD2 3.75Å; H182-H187 AromaticContact NE2-CD2 3.7Å; H182-L195 PolarHBondContact CD2-O 2.95Å; H182-Y196 HydrophobicContact CB-CD1 4.05Å; H182-Y196 HydrophobicContact CB-CE1 3.82Å; H182-Y196 AromaticContact CD2-CE1 3.81Å; H182-Y196 AromaticContact CD2-CZ 3.74Å
183V87.8Confident88Confident17 Ų1755.8 Ų55.810%0.10329%0.286CS..THydrogen-bonded Turntrans-59.7-33.5-173.7-67.10000113.7F142 L195 Q197F142-V183 HydrophobicContact CB-CG1 4.15Å; F142-V183 HydrophobicContact CD1-CB 3.62Å; F142-V183 HydrophobicContact CD1-CG1 3.89Å; F142-V183 HydrophobicContact CD1-CG2 4.34Å; F142-V183 HydrophobicContact CD2-CB 4.28Å; F142-V183 HydrophobicContact CD2-CG1 4.49Å; F142-V183 HydrophobicContact CD2-CG2 4.17Å; F142-V183 HydrophobicContact CE1-CB 3.66Å; F142-V183 HydrophobicContact CE1-CG1 4.43Å; F142-V183 HydrophobicContact CE1-CG2 4.17Å; F142-V183 HydrophobicContact CE2-CB 4.31Å; F142-V183 HydrophobicContact CE2-CG2 4Å; F142-V183 HydrophobicContact CG-CB 3.94Å; F142-V183 HydrophobicContact CG-CG1 3.91Å; F142-V183 HydrophobicContact CG-CG2 4.33Å; F142-V183 HydrophobicContact CZ-CB 4.01Å; F142-V183 HydrophobicContact CZ-CG2 3.98Å; V183-L195 HydrophobicContact CB-CB 4.37Å; V183-L195 HydrophobicContact CG1-CB 3.73Å; V183-L195 HydrophobicContact CG2-CB 3.71Å; V183-L195 PolarHBondContact N-O 2.66Å; V183-L195 VanDerWaalsContact N-O 3.11Å; V183-Q197 HydrophobicContact CG1-CG 3.9Å
184T83.4Confident88.3Confident43 Ų4352.5 Ų52.526%0.26428%0.276SS..THydrogen-bonded Turntrans-95-3.2174.770.60000114.1H182 K186H182-T184 VanDerWaalsContact C-N 3.25Å; H182-T184 PolarHBondContact CE1-OG1 3.45Å; H182-T184 PolarHBondContact ND1-N 3.49Å; H182-T184 VanDerWaalsContact ND1-N 3.19Å; H182-T184 PolarHBondContact ND1-OG1 3.3Å; H182-T184 PolarHBondContact O-N 3.03Å; T184-K186 PolarHBondContact O-N 2.88Å
185N84.5Confident88.5Confident139 Ų13952.9 Ų52.974%0.74328%0.278SS*.SBendtrans57.323.7-175.2-154.834.3000115.3H182H182-N185 PolarHBondContact O-N 3.45Å
186K85.3Confident88.8Confident160 Ų16051.4 Ų51.470%0.69627%0.27SS*.  trans-103.9-16.7-178.5-66.9176.1-174.3172.70114.9T184T184-K186 PolarHBondContact O-N 2.88Å
187H87.4Confident89.1Confident92 Ų9247.6 Ų47.643%0.42625%0.252SS..  trans-122.1147.3-170.9-60.6-88.5000112H182 L194H182-H187 WeakPolarHBondContact CB-O 3.4Å; H182-H187 AromaticContact CE1-CD2 3.38Å; H182-H187 PolarHBondContact CE1-CD2 2.96Å; H182-H187 AromaticContact ND1-CD2 3.75Å; H182-H187 AromaticContact NE2-CD2 3.7Å; H187-L194 HydrophobicContact CB-CD1 3.89Å
188H92.9Very high89.6Confident125 Ų12547.6 Ų47.658%0.57925%0.252SS*.  trans-78.5160.8164.5-82.773.7000110.2V190 Y196H188-V190 PolarHBondContact O-N 2.9Å; H188-Y196 PolarHBondContact O-OH 3Å
189F94.4Very high89.4Confident1 Ų152.6 Ų52.60%0.00427%0.266CS..  trans-63.4124.4176-165.7-85.3000110.7A148 F151 I152 E168 G171 R172 L175 I180 Y196A148-F189 HydrophobicContact CB-CE1 4.27Å; A148-F189 HydrophobicContact CB-CE2 3.83Å; A148-F189 HydrophobicContact CB-CZ 3.65Å; F151-F189 HydrophobicContact CD1-CE2 4.1Å; F151-F189 AromaticContact CD1-CZ 3.86Å; F151-F189 HydrophobicContact CD1-CZ 3.86Å; F151-F189 HydrophobicContact CE1-CZ 4.49Å; I152-F189 HydrophobicContact CD1-CE1 4.06Å; I152-F189 HydrophobicContact CG1-CE1 4.24Å; I152-F189 HydrophobicContact CG1-CZ 4.42Å; E168-F189 HydrophobicContact CG-CD1 4.13Å; E168-F189 HydrophobicContact CG-CE1 4.38Å; E168-F189 WeakPolarHBondContact O-CD1 3.49Å; G171-F189 VanDerWaalsContact C-CG 3.43Å; R172-F189 HydrophobicContact CB-CB 4.44Å; R172-F189 HydrophobicContact CG-CB 3.87Å; R172-F189 VanDerWaalsContact CG-O 3.22Å; R172-F189 WeakPolarHBondContact CG-O 3.36Å; R172-F189 PolarHBondContact NE-O 3.23Å; R172-F189 VanDerWaalsContact NE-O 3.14Å; L175-F189 HydrophobicContact CB-CB 4.43Å; L175-F189 HydrophobicContact CD1-CB 4.3Å; I180-F189 HydrophobicContact CD1-CD2 3.62Å; I180-F189 HydrophobicContact CD1-CE2 3.9Å; F189-Y196 WeakPolarHBondContact CA-OH 3.38Å; F189-Y196 HydrophobicContact CB-CE1 4.28Å; F189-Y196 AromaticContact CD2-CD1 3.95Å; F189-Y196 HydrophobicContact CD2-CD1 3.95Å; F189-Y196 HydrophobicContact CD2-CD2 4.18Å; F189-Y196 AromaticContact CD2-CE1 3.85Å; F189-Y196 HydrophobicContact CD2-CE1 3.85Å; F189-Y196 HydrophobicContact CD2-CE2 4.1Å; F189-Y196 HydrophobicContact CD2-CG 4.13Å; F189-Y196 AromaticContact CD2-CZ 3.95Å; F189-Y196 HydrophobicContact CE2-CD2 4.13Å; F189-Y196 HydrophobicContact CE2-CE2 4.29Å; F189-Y196 HydrophobicContact CE2-CG 4.31Å; F189-Y196 HydrophobicContact CG-CE1 4.46Å
190V95.1Very high88.7Confident59 Ų5953.9 Ų53.936%0.35827%0.272SS..  trans-143144.2179.762.30000109.6A148 E168 H188 G192 L194A148-V190 WeakPolarHBondContact CB-O 3.38Å; E168-V190 VanDerWaalsContact OE1-CA 3.29Å; E168-V190 WeakPolarHBondContact OE1-CA 3.21Å; H188-V190 PolarHBondContact O-N 2.9Å; V190-G192 PolarHBondContact O-N 3Å; V190-G192 VanDerWaalsContact O-N 3.15Å; V190-L194 HydrophobicContact CG1-CD1 3.66Å; V190-L194 HydrophobicContact CG1-CG 4.5Å
191D95.9Very high87.5Confident54 Ų5455.9 Ų55.929%0.28928%0.283SS..SBendtrans-64.4111.1172.7-172.26.1000110.2S149 I152 R164 E168S149-D191 WeakPolarHBondContact CA-OD1 3.05Å; S149-D191 WeakPolarHBondContact CB-OD1 3.46Å; I152-D191 HydrophobicContact CD1-CB 3.51Å; R164-D191 IonicContact CZ-OD1 3.29Å; R164-D191 IonicContact CZ-OD2 3.76Å; R164-D191 IonicContact NE-OD2 3.55Å; R164-D191 PolarHBondContact NE-OD2 3.44Å; R164-D191 IonicContact NH2-OD1 3.77Å; R164-D191 PolarHBondContact NH2-OD1 3.08Å; R164-D191 IonicContact NH2-OD2 2.91Å; R164-D191 PolarHBondContact NH2-OD2 3.18Å; E168-D191 PolarHBondContact OE1-N 3.43Å
192G94.3Very high86.2Confident13 Ų1353.8 Ų53.813%0.13427%0.273CS..SBendtrans167.6-171.2-175.200000113.4S149 V190 L194S149-G192 PolarHBondContact N-O 3.13Å; V190-G192 PolarHBondContact O-N 3Å; V190-G192 VanDerWaalsContact O-N 3.15Å; G192-L194 PolarHBondContact O-N 2.89Å
193P94.1Very high84.5Confident110 Ų11061.3 Ų61.371%0.71430%0.301SS*.SBendtrans-80.75.5-172.133.8-36.9000114.2
194L94Very high82.9Confident34 Ų3467 Ų6718%0.17832%0.32CS..  trans-68.9144.9-176.6-63.5-176.9000111.7A148 H187 V190 G192 Y196A148-L194 PolarHBondContact N-O 3.26Å; A148-L194 VanDerWaalsContact N-O 3.12Å; H187-L194 HydrophobicContact CB-CD1 3.89Å; V190-L194 HydrophobicContact CG1-CD1 3.66Å; V190-L194 HydrophobicContact CG1-CG 4.5Å; G192-L194 PolarHBondContact O-N 2.89Å; L194-Y196 HydrophobicContact CB-CE2 3.69Å; L194-Y196 WeakPolarHBondContact O-CD2 3.48Å; L194-Y196 WeakPolarHBondContact O-CE2 3.39Å
195L93.4Very high81.4Confident9 Ų973.6 Ų73.65%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-90.8136-179.8-60.9-176.1000112.5R135 E137 F142 A145 L146 V147 H182 V183R135-L195 HydrophobicContact CB-CD1 3.92Å; R135-L195 HydrophobicContact CB-CD2 4.21Å; E137-L195 HydrophobicContact CB-CD1 3.8Å; E137-L195 WeakPolarHBondContact OE2-CB 3.28Å; E137-L195 WeakPolarHBondContact OE2-CD1 3.42Å; E137-L195 VanDerWaalsContact OE2-CG 3.26Å; E137-L195 WeakPolarHBondContact OE2-CG 3.42Å; F142-L195 HydrophobicContact CD2-CD1 4.14Å; A145-L195 HydrophobicContact CB-CB 4.49Å; A145-L195 HydrophobicContact CB-CD1 4.37Å; A145-L195 HydrophobicContact CB-CD2 4.36Å; L146-L195 WeakPolarHBondContact O-CA 3.42Å; V147-L195 HydrophobicContact CG2-CD2 3.46Å; V147-L195 VanDerWaalsContact CG2-CD2 3.46Å; H182-L195 PolarHBondContact CD2-O 2.95Å; V183-L195 HydrophobicContact CB-CB 4.37Å; V183-L195 HydrophobicContact CG1-CB 3.73Å; V183-L195 HydrophobicContact CG2-CB 3.71Å; V183-L195 PolarHBondContact N-O 2.66Å; V183-L195 VanDerWaalsContact N-O 3.11Å
196Y92.9Very high80.2Confident0 Ų070.7 Ų70.70%032%0.319CS..EExtended strand (participates in β ladder)trans-128.5160.9173.9-59.8-97.5000110.4A145 L146 A148 L175 Q181 H182 H188 F189 L194A145-Y196 CarbonylContact C-O 3.48Å; A145-Y196 WeakPolarHBondContact CA-O 3.37Å; L146-Y196 VanDerWaalsContact CD2-O 3.29Å; L146-Y196 WeakPolarHBondContact CD2-O 3.38Å; L146-Y196 VanDerWaalsContact CG-O 3.29Å; L146-Y196 WeakPolarHBondContact CG-O 3.46Å; L146-Y196 PolarHBondContact N-O 3.22Å; L146-Y196 PolarHBondContact O-N 2.95Å; A148-Y196 HydrophobicContact CB-CD2 3.89Å; A148-Y196 HydrophobicContact CB-CE2 3.57Å; L175-Y196 HydrophobicContact CD1-CD1 3.97Å; L175-Y196 HydrophobicContact CD1-CE1 3.64Å; Q181-Y196 CarbonylContact O-C 3.56Å; Q181-Y196 WeakPolarHBondContact O-CA 3.49Å; Q181-Y196 WeakPolarHBondContact O-CB 3.44Å; H182-Y196 HydrophobicContact CB-CD1 4.05Å; H182-Y196 HydrophobicContact CB-CE1 3.82Å; H182-Y196 AromaticContact CD2-CE1 3.81Å; H182-Y196 AromaticContact CD2-CZ 3.74Å; H188-Y196 PolarHBondContact O-OH 3Å; F189-Y196 WeakPolarHBondContact CA-OH 3.38Å; F189-Y196 HydrophobicContact CB-CE1 4.28Å; F189-Y196 AromaticContact CD2-CD1 3.95Å; F189-Y196 HydrophobicContact CD2-CD1 3.95Å; F189-Y196 HydrophobicContact CD2-CD2 4.18Å; F189-Y196 AromaticContact CD2-CE1 3.85Å; F189-Y196 HydrophobicContact CD2-CE1 3.85Å; F189-Y196 HydrophobicContact CD2-CE2 4.1Å; F189-Y196 HydrophobicContact CD2-CG 4.13Å; F189-Y196 AromaticContact CD2-CZ 3.95Å; F189-Y196 HydrophobicContact CE2-CD2 4.13Å; F189-Y196 HydrophobicContact CE2-CE2 4.29Å; F189-Y196 HydrophobicContact CE2-CG 4.31Å; F189-Y196 HydrophobicContact CG-CE1 4.46Å; L194-Y196 HydrophobicContact CB-CE2 3.69Å; L194-Y196 WeakPolarHBondContact O-CD2 3.48Å; L194-Y196 WeakPolarHBondContact O-CE2 3.39Å
197Q89.9Confident79.2Confident39 Ų3969.2 Ų69.218%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-136.3144.5175.2-76.6171.6-20.200109.9E143 A145 I180 Q181 V183 R199E143-Q197 PolarHBondContact O-NE2 3.11Å; A145-Q197 HydrophobicContact CB-CG 4.35Å; I180-Q197 CarbonylContact C-O 3.53Å; I180-Q197 VanDerWaalsContact CA-O 3.24Å; I180-Q197 WeakPolarHBondContact CA-O 3.35Å; Q181-Q197 HydrophobicContact CG-CB 4.45Å; Q181-Q197 PolarHBondContact N-O 2.96Å; Q181-Q197 PolarHBondContact O-N 3.43Å; V183-Q197 HydrophobicContact CG1-CG 3.9Å; Q197-R199 PolarHBondContact O-N 3.49Å
198F86.3Confident78.1Confident30 Ų3065 Ų6513%0.13229%0.29CS..EExtended strand (participates in β ladder)trans-70.3114.9166.4-79.1-92.7000109.6Y121 L124 L146 I179 I180 F202Y121-F198 HydrophobicContact CD2-CB 3.88Å; Y121-F198 AromaticContact CD2-CD1 3.62Å; Y121-F198 HydrophobicContact CD2-CD1 3.62Å; Y121-F198 HydrophobicContact CD2-CD2 4.01Å; Y121-F198 HydrophobicContact CD2-CE1 4.09Å; Y121-F198 HydrophobicContact CD2-CE2 4.46Å; Y121-F198 AromaticContact CD2-CG 3.56Å; Y121-F198 HydrophobicContact CD2-CG 3.56Å; Y121-F198 HydrophobicContact CD2-CZ 4.49Å; Y121-F198 HydrophobicContact CE2-CB 3.84Å; Y121-F198 HydrophobicContact CE2-CD1 4.44Å; Y121-F198 HydrophobicContact CE2-CG 4.04Å; Y121-F198 HydrophobicContact CG-CD1 4.41Å; L124-F198 HydrophobicContact CD1-CE2 3.67Å; L124-F198 HydrophobicContact CD1-CZ 3.78Å; L146-F198 HydrophobicContact CD2-CD2 3.74Å; L146-F198 HydrophobicContact CD2-CE2 3.86Å; I179-F198 HydrophobicContact CG2-CD1 4.04Å; I179-F198 HydrophobicContact CG2-CE1 4.11Å; I180-F198 HydrophobicContact CG2-CD1 3.63Å; I180-F198 HydrophobicContact CG2-CD2 4.2Å; I180-F198 HydrophobicContact CG2-CE1 3.67Å; I180-F198 HydrophobicContact CG2-CE2 4.21Å; I180-F198 HydrophobicContact CG2-CG 3.93Å; I180-F198 HydrophobicContact CG2-CZ 3.96Å; F198-F202 HydrophobicContact CD1-CE2 4.14Å
199R74.6Confident76.8Confident123 Ų12361.1 Ų61.146%0.46427%0.273SS..  trans-75.4-33.6176.8-163.4-174.7-178.3-159.6-6.9111.3E9 I179 Q181 Q197 N201E9-R199 IonicContact OE1-CZ 2.65Å; E9-R199 IonicContact OE1-NH1 2.97Å; E9-R199 PolarHBondContact OE1-NH1 3.41Å; E9-R199 IonicContact OE1-NH2 3.93Å; I179-R199 PolarHBondContact O-N 2.8Å; Q181-R199 HydrophobicContact CG-CB 4.44Å; Q181-R199 VanDerWaalsContact OE1-CD 3.23Å; Q181-R199 VanDerWaalsContact OE1-CG 3.31Å; Q197-R199 PolarHBondContact O-N 3.49Å; R199-N201 PolarHBondContact O-N 2.94Å
200M67.6Low75.5Confident27 Ų2764.6 Ų64.613%0.13329%0.289CS..SBendtrans-82.2111.8176.7-74.2-78.4126.300110F202M200-F202 HydrophobicContact CB-CD2 4.03Å; M200-F202 HydrophobicContact CB-CE1 4.19Å; M200-F202 HydrophobicContact CB-CE2 3.59Å; M200-F202 HydrophobicContact CB-CZ 3.68Å; M200-F202 HydrophobicContact CG-CZ 4.38Å; M200-F202 VanDerWaalsContact O-CD2 3.23Å; M200-F202 WeakPolarHBondContact O-CD2 3.49Å; M200-F202 PolarHBondContact O-N 3.31Å; M200-F202 VanDerWaalsContact O-N 3.14Å
201N62.9Low74.2Confident43 Ų4362.2 Ų62.223%0.2328%0.275CS..  trans-82.587166.7-171.4-11.7000109.6Y121 R199 R203 R204Y121-N201 PolarHBondContact OH-OD1 2.99Å; Y121-N201 VanDerWaalsContact OH-OD1 3.13Å; R199-N201 PolarHBondContact O-N 2.94Å; N201-R203 PolarHBondContact O-N 2.85Å; N201-R203 PolarHBondContact OD1-N 3.12Å; N201-R203 VanDerWaalsContact OD1-N 3.09Å; N201-R204 HydrophobicContact CB-CB 3.97Å; N201-R204 WeakPolarHBondContact O-CB 3.26Å; N201-R204 PolarHBondContact O-N 2.98Å; N201-R204 PolarHBondContact OD1-N 2.87Å; N201-R204 VanDerWaalsContact OD1-N 3.09Å
202F63.4Low72.6Confident11 Ų1162.1 Ų62.15%0.04827%0.274CS..THydrogen-bonded Turntrans-63.6-16.4177.8-58.3-89.4000113.4F114 Q118 Y121 I179 F198 M200F114-F202 HydrophobicContact CD2-CE1 4.42Å; F114-F202 HydrophobicContact CE1-CE1 4.23Å; F114-F202 AromaticContact CE2-CE1 3.54Å; F114-F202 HydrophobicContact CE2-CE1 3.54Å; F114-F202 HydrophobicContact CE2-CZ 4.15Å; F114-F202 HydrophobicContact CZ-CD1 4.07Å; F114-F202 AromaticContact CZ-CE1 3.42Å; F114-F202 HydrophobicContact CZ-CE1 3.42Å; F114-F202 VanDerWaalsContact CZ-CE1 3.42Å; F114-F202 HydrophobicContact CZ-CZ 4.44Å; Q118-F202 HydrophobicContact CB-CD1 3.69Å; Q118-F202 HydrophobicContact CB-CE1 3.61Å; Q118-F202 HydrophobicContact CB-CG 4.44Å; Q118-F202 HydrophobicContact CB-CZ 4.31Å; Q118-F202 HydrophobicContact CG-CB 4.48Å; Q118-F202 HydrophobicContact CG-CD1 3.71Å; Q118-F202 HydrophobicContact CG-CE1 4.17Å; Q118-F202 HydrophobicContact CG-CG 4.27Å; Y121-F202 HydrophobicContact CD1-CB 3.6Å; Y121-F202 AromaticContact CD1-CD2 3.6Å; Y121-F202 HydrophobicContact CD1-CD2 3.6Å; Y121-F202 HydrophobicContact CD1-CG 4.02Å; Y121-F202 AromaticContact CD2-CD2 3.83Å; Y121-F202 HydrophobicContact CD2-CD2 3.83Å; Y121-F202 HydrophobicContact CD2-CE2 4.34Å; Y121-F202 HydrophobicContact CE1-CB 3.83Å; Y121-F202 HydrophobicContact CE1-CD2 4.15Å; Y121-F202 HydrophobicContact CE2-CD2 4.35Å; Y121-F202 HydrophobicContact CG-CB 4.31Å; Y121-F202 AromaticContact CG-CD2 3.38Å; Y121-F202 HydrophobicContact CG-CD2 3.38Å; Y121-F202 HydrophobicContact CG-CE2 4.09Å; Y121-F202 HydrophobicContact CG-CG 4.23Å; I179-F202 HydrophobicContact CG2-CE2 3.97Å; I179-F202 HydrophobicContact CG2-CZ 3.77Å; F198-F202 HydrophobicContact CD1-CE2 4.14Å; M200-F202 HydrophobicContact CB-CD2 4.03Å; M200-F202 HydrophobicContact CB-CE1 4.19Å; M200-F202 HydrophobicContact CB-CE2 3.59Å; M200-F202 HydrophobicContact CB-CZ 3.68Å; M200-F202 HydrophobicContact CG-CZ 4.38Å; M200-F202 VanDerWaalsContact O-CD2 3.23Å; M200-F202 WeakPolarHBondContact O-CD2 3.49Å; M200-F202 PolarHBondContact O-N 3.31Å; M200-F202 VanDerWaalsContact O-N 3.14Å
203R53.7Low71Confident159 Ų15968 Ų6860%0.630%0.298SS*.THydrogen-bonded Turntrans-89.3-11.1173.8-76.5177.886.7162.111.5113.3Y121 N201 R205Y121-R203 HydrophobicContact CE1-CB 4.37Å; Y121-R203 HydrophobicContact CE1-CG 3.96Å; N201-R203 PolarHBondContact O-N 2.85Å; N201-R203 PolarHBondContact OD1-N 3.12Å; N201-R203 VanDerWaalsContact OD1-N 3.09Å; R203-R205 PolarHBondContact O-N 3.36Å; R203-R205 VanDerWaalsContact O-N 3.15Å
204R55.5Low68.9Low135 Ų13570.2 Ų70.251%0.50930%0.298SS..SBendtrans-66.7117.4176.9-169.6176.2-176-1771.3108N201 R206N201-R204 HydrophobicContact CB-CB 3.97Å; N201-R204 WeakPolarHBondContact O-CB 3.26Å; N201-R204 PolarHBondContact O-N 2.98Å; N201-R204 PolarHBondContact OD1-N 2.87Å; N201-R204 VanDerWaalsContact OD1-N 3.09Å; R204-R206 HydrophobicContact CG-CG 4.35Å; R204-R206 PolarHBondContact O-N 3.19Å
205R50.5Low66.3Low183 Ų18379.7 Ų79.769%0.69133%0.332SS*.  trans-62.899174.7-173.1178.6-175.7175.82109.2R203R203-R205 PolarHBondContact O-N 3.36Å; R203-R205 VanDerWaalsContact O-N 3.15Å
206R60.9Low63.8Low78 Ų7882.7 Ų82.729%0.29436%0.364SS..  trans-105.5129.4172.3-61.9-167.9-167.2-159.22.9108.5H13 R204 E210H13-R206 PolarHBondContact CD2-NH1 3.3Å; H13-R206 WeakPolarHBondContact NE2-CD 3.42Å; H13-R206 PolarHBondContact NE2-NH1 3.45Å; R204-R206 HydrophobicContact CG-CG 4.35Å; R204-R206 PolarHBondContact O-N 3.19Å; R206-E210 WeakPolarHBondContact CA-OE1 3.24Å
207R62.7Low60.9Low128 Ų12893.8 Ų93.848%0.48341%0.406SS..  trans-82148-174-74.4-175.3-94.4-168.9-6.1110.1I209 E210R207-I209 HydrophobicContact CB-CG2 3.8Å; R207-I209 PolarHBondContact O-N 2.89Å; R207-I209 VanDerWaalsContact O-N 3.09Å; R207-E210 PolarHBondContact N-OE1 2.6Å; R207-E210 VanDerWaalsContact O-CB 3.3Å; R207-E210 WeakPolarHBondContact O-CB 3.45Å; R207-E210 PolarHBondContact O-N 3.15Å
208L65.3Low58Low4 Ų495 Ų952%0.02143%0.43CS..G310 helixtrans-57-27.5177.2-77.5169.8000113.1S21 L54 I69 E210 L211S21-L208 WeakPolarHBondContact OG-CD1 3.36Å; S21-L208 WeakPolarHBondContact OG-CD2 3.46Å; S21-L208 VanDerWaalsContact OG-CG 3.25Å; S21-L208 WeakPolarHBondContact OG-CG 3.42Å; L54-L208 HydrophobicContact CD2-CD1 3.44Å; L54-L208 VanDerWaalsContact CD2-CD1 3.44Å; I69-L208 HydrophobicContact CD1-CB 4.17Å; I69-L208 HydrophobicContact CG2-CB 3.85Å; I69-L208 HydrophobicContact CG2-CD1 4.4Å; I69-L208 HydrophobicContact CG2-CD2 4.29Å; I69-L208 HydrophobicContact CG2-CG 4.42Å; L208-E210 PolarHBondContact O-N 3.25Å; L208-L211 HydrophobicContact CD2-CD1 3.57Å; L208-L211 WeakPolarHBondContact O-CB 3.1Å; L208-L211 WeakPolarHBondContact O-CG 3.43Å; L208-L211 PolarHBondContact O-N 2.81Å
209I65Low55.4Low43 Ų43100.2 Ų100.222%0.22146%0.458CS..G310 helixtrans-61.2-22.1174.3-160.6161.8000114.3E59 T65 I69 R207 L211 L212 H213E59-I209 PolarHBondContact O-N 2.94Å; T65-I209 HydrophobicContact CG2-CD1 3.9Å; T65-I209 HydrophobicContact CG2-CG1 4.07Å; I69-I209 HydrophobicContact CD1-CB 4.39Å; R207-I209 HydrophobicContact CB-CG2 3.8Å; R207-I209 PolarHBondContact O-N 2.89Å; R207-I209 VanDerWaalsContact O-N 3.09Å; I209-L211 PolarHBondContact O-N 3.01Å; I209-L212 PolarHBondContact O-N 2.71Å; I209-H213 PolarHBondContact O-ND1 3.38Å; I209-H213 VanDerWaalsContact O-ND1 3.09Å
210E68.5Low53.2Low75 Ų7599.1 Ų99.135%0.3547%0.466SS..G310 helixtrans-68.1-18.7174.7-64.5171.3-140.100111.6R206 R207 L208 L212 H213R206-E210 WeakPolarHBondContact CA-OE1 3.24Å; R207-E210 PolarHBondContact N-OE1 2.6Å; R207-E210 VanDerWaalsContact O-CB 3.3Å; R207-E210 WeakPolarHBondContact O-CB 3.45Å; R207-E210 PolarHBondContact O-N 3.15Å; L208-E210 PolarHBondContact O-N 3.25Å; E210-L212 PolarHBondContact O-N 3.26Å; E210-H213 PolarHBondContact O-N 3.07Å
211L66.8Low51.4Low9 Ų9106.5 Ų106.55%0.04750%0.5CS..G310 helixtrans-69.2-18.3175.4-54.3177.6000113.2F14 C17 I69 K72 L73 L208 I209F14-L211 HydrophobicContact CB-CD2 4.24Å; F14-L211 HydrophobicContact CD2-CB 4.13Å; F14-L211 HydrophobicContact CD2-CD1 4.13Å; F14-L211 HydrophobicContact CD2-CD2 3.47Å; F14-L211 VanDerWaalsContact CD2-CD2 3.47Å; F14-L211 HydrophobicContact CD2-CG 4.11Å; F14-L211 HydrophobicContact CE2-CB 3.94Å; F14-L211 HydrophobicContact CE2-CD1 3.87Å; F14-L211 HydrophobicContact CE2-CD2 4.03Å; F14-L211 HydrophobicContact CE2-CG 4.16Å; F14-L211 HydrophobicContact CG-CD2 4.03Å; F14-L211 HydrophobicContact CZ-CD1 4.38Å; C17-L211 HydrophobicContact CB-CD1 4.49Å; C17-L211 HydrophobicContact CB-CD2 3.96Å; I69-L211 HydrophobicContact CG2-CD1 4.45Å; K72-L211 WeakPolarHBondContact CE-O 3.48Å; K72-L211 PolarHBondContact NZ-O 3.04Å; L73-L211 HydrophobicContact CD2-CD1 4.39Å; L208-L211 HydrophobicContact CD2-CD1 3.57Å; L208-L211 WeakPolarHBondContact O-CB 3.1Å; L208-L211 WeakPolarHBondContact O-CG 3.43Å; L208-L211 PolarHBondContact O-N 2.81Å; I209-L211 PolarHBondContact O-N 3.01Å
212L62.5Low49.8Very low51 Ų51108.1 Ų108.127%0.26752%0.515SS..G310 helixtrans-88.7-18.3-179.8-63-179000113.9T65 K68 I69 I209 E210 E214T65-L212 HydrophobicContact CG2-CD1 3.51Å; K68-L212 HydrophobicContact CB-CD1 4.42Å; K68-L212 HydrophobicContact CB-CD2 3.8Å; I69-L212 HydrophobicContact CD1-CD1 4.29Å; I69-L212 HydrophobicContact CG1-CD1 3.8Å; I69-L212 HydrophobicContact CG1-CD2 4.01Å; I69-L212 HydrophobicContact CG1-CG 3.73Å; I209-L212 PolarHBondContact O-N 2.71Å; E210-L212 PolarHBondContact O-N 3.26Å; L212-E214 PolarHBondContact O-N 2.76Å; L212-E214 VanDerWaalsContact O-N 3.15Å
213H60.4Low48.4Very low138 Ų138116.5 Ų116.564%0.63955%0.554SS**  trans-86.592.2-174.3-68.288.5000110.6I209 E210 R215I209-H213 PolarHBondContact O-ND1 3.38Å; I209-H213 VanDerWaalsContact O-ND1 3.09Å; E210-H213 PolarHBondContact O-N 3.07Å; H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 PolarHBondContact O-N 2.69Å
214E50.8Low47.1Very low155 Ų155115 Ų11572%0.72456%0.558SS**  trans-77.9-8.8180-68.1-174.416100114.7K72 L212K72-E214 IonicContact NZ-OE1 2.75Å; L212-E214 PolarHBondContact O-N 2.76Å; L212-E214 VanDerWaalsContact O-N 3.15Å
215R37.6Very low46.1Very low234 Ų234111.7 Ų111.788%0.88356%0.556SS**SBendtrans-89.9115.6178-86.8-175.4-179.7-171.50.3111.1H213 R217H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 PolarHBondContact O-N 2.69Å; R215-R217 PolarHBondContact O-N 3.38Å
216G41.8Very low45.1Very low71 Ų71107.6 Ų107.673%0.73255%0.553SS**  trans-46.2112.4167.200000110.3
217R31.6Very low43.9Very low233 Ų233111.4 Ų111.488%0.87957%0.571SS**  trans-85.8108141.5-71-168.8179.9-164.2-0.2104.4R215 I219R215-R217 PolarHBondContact O-N 3.38Å; R217-I219 PolarHBondContact O-N 2.86Å; R217-I219 VanDerWaalsContact O-N 3.15Å
218G30.3Very low42.4Very low66 Ų66109.9 Ų109.968%0.6858%0.58SS**  trans-43.8125148.200000105.9P220G218-P220 VanDerWaalsContact O-CD 3.3Å; G218-P220 WeakPolarHBondContact O-CD 3.44Å
219I31.1Very low40.8Very low139 Ų139117.8 Ų117.871%0.71362%0.621SS**  trans-47.4120.5167.4-63.3164.5000104.5R217 E221R217-I219 PolarHBondContact O-N 2.86Å; R217-I219 VanDerWaalsContact O-N 3.15Å; I219-E221 PolarHBondContact O-N 3Å
220P27.5Very low39Very low99 Ų99126.8 Ų126.864%0.64365%0.652SS**  trans-56.3116.7159.9-13.127000104.1G218 S222G218-P220 VanDerWaalsContact O-CD 3.3Å; G218-P220 WeakPolarHBondContact O-CD 3.44Å; P220-S222 PolarHBondContact O-N 3.23Å
221E31.6Very low37.3Very low183 Ų183132.7 Ų132.786%0.85568%0.676SS**  trans-6367.2165.1-71.7-176.6148.500107.9I219I219-E221 PolarHBondContact O-N 3Å
222S29Very low35.4Very low77 Ų77140.9 Ų140.954%0.53872%0.715SS.*  trans-94.6110.6157.961.50000104.9P220 D224P220-S222 PolarHBondContact O-N 3.23Å; S222-D224 PolarHBondContact O-N 3.3Å
223H34.1Very low33.6Very low187 Ų187147.1 Ų147.187%0.86674%0.742SS**  trans-6213.9173.2-85.1-89.1000114.3S225H223-S225 PolarHBondContact O-N 2.77Å
224D25.6Very low32.3Very low127 Ų127146 Ų14668%0.67975%0.75SS**  trans-91.4106.6172.5-72.6-38.5000110.4S222S222-D224 PolarHBondContact O-N 3.3Å
225S34.2Very low31.1Very low66 Ų66146.6 Ų146.646%0.46276%0.758SS.*  trans-45.9133.6166.3-172.40000110.3H223 F227H223-S225 PolarHBondContact O-N 2.77Å; S225-F227 PolarHBondContact O-N 3.15Å
226P30.3Very low30.7Very low97 Ų97139.1 Ų139.163%0.6375%0.754SS**THydrogen-bonded Turntrans-71.917.1-177.332.1-35.6000113.3
227F34.9Very low30Very low157 Ų157139.5 Ų139.569%0.68976%0.758SS**THydrogen-bonded Turntrans-110.917.5-178.3-73.6-78.4000113.7S225 L229S225-F227 PolarHBondContact O-N 3.15Å; F227-L229 PolarHBondContact O-N 2.98Å
228C31.6Very low29.8Very low97 Ų97135.8 Ų135.866%0.65576%0.756SS**  trans-63.590.4161.8-59.60000109.1R230C228-R230 PolarHBondContact O-N 3.03Å
229L31.3Very low29.7Very low169 Ų169138.9 Ų138.989%0.88576%0.761SS**  trans-57.2100.1151.6-77170.2000105.3F227 K231F227-L229 PolarHBondContact O-N 2.98Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 2.92Å
230R27.6Very low29.5Very low233 Ų233137.2 Ų137.288%0.87976%0.762SS**  trans-60.1103.6170.3-163176.4-172.91651.5105.9C228 Q232C228-R230 PolarHBondContact O-N 3.03Å; R230-Q232 VanDerWaalsContact C-N 3.27Å; R230-Q232 PolarHBondContact O-N 3.38Å
231K33.1Very low29.3Very low198 Ų198140.6 Ų140.686%0.86177%0.767SS**  trans-59.599.9163.1-167.4178.1-176.2179.30104.9L229 Q233L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 2.92Å; K231-Q233 PolarHBondContact O-N 3.24Å
232Q27Very low29Very low182 Ų182138.9 Ų138.985%0.8576%0.763SS**  trans-63.8101.6179.2-167173.70.900106.5R230 S234R230-Q232 VanDerWaalsContact C-N 3.27Å; R230-Q232 PolarHBondContact O-N 3.38Å; Q232-S234 PolarHBondContact O-N 3.32Å
233Q24.5Very low28.9Very low181 Ų181139.3 Ų139.385%0.84677%0.766SS**  trans-60.8129.3161.9-85177.7-15.300107.1K231 D235K231-Q233 PolarHBondContact O-N 3.24Å; Q233-D235 PolarHBondContact O-N 3.3Å
234S32.2Very low28.5Very low115 Ų115137 Ų13780%0.80477%0.765SS**  trans-52.3121.1165.848.60000110.1Q232Q232-S234 PolarHBondContact O-N 3.32Å
235D26.9Very low28.5Very low168 Ų168136 Ų13690%0.89877%0.767SS**  trans-153.5145.4134.7-131.2-18.2000111.9Q233Q233-D235 PolarHBondContact O-N 3.3Å
236G29.3Very low28.5Very low76 Ų76138.3 Ų138.378%0.78478%0.781SS**  trans-74.5169-158.100000117.4
237G26.5Very low28.4Very low79 Ų79140.3 Ų140.381%0.81479%0.791SS**  trans155.4100.7164.800000113.9
238N28Very low28.1Very low156 Ų156142.5 Ų142.583%0.83480%0.801SS**  trans-46.3149.3172.2-78.3-16.4000114.6
239T27.4Very low27.9Very low131 Ų131146.6 Ų146.680%0.80481%0.81SS**  -179.4111.8108.7320000112.6
240S27.3Very low27.6Very low103 Ų103145.6 Ų145.672%0.7280%0.804SS**  trans32.3121.2137580000122.8
241F23Very low27.5Very low170 Ų170143.6 Ų143.675%0.74680%0.802SS**  50.6124.3115.9-128.9-115.2000118.1
242L25.3Very low27.3Very low147 Ų147140.8 Ų140.877%0.7780%0.801SS**  -168.1134.683.5-90.9157.9000112.2
243S27.9Very low27.1Very low86 Ų86136.8 Ų136.860%0.60180%0.799SS**  trans-76145.7162.140.30000111.4
244V23.8Very low27.5Very low140 Ų140134.8 Ų134.885%0.84880%0.799SS**  trans-140.5124.6158.2-167.90000109.6
245S27.1Very low27.3Very low104 Ų104132.4 Ų132.473%0.72779%0.792SS**  trans-83.4170.6177.2-59.60000112
246P34.5Very low27.4Very low116 Ų116130.8 Ų130.875%0.75379%0.788SS**  trans-91.2150-156.836.6-31.9000112.4
247T27.8Very low27.2Very low138 Ų138138.5 Ų138.585%0.84779%0.793SS**  trans-168.8119.1153.213.40000110.5
248K28.8Very low27.4Very low204 Ų204146.1 Ų146.189%0.88780%0.798SS**  176.2112127.9-96.1170.5-176.1-178.70109.6
249E27.2Very low27.4Very low183 Ų183143.9 Ų143.986%0.85579%0.794SS**  trans-62.3152.3157.7-61.8-178.5158.400110.1
250I25.5Very low27.6Very low148 Ų148143 Ų14376%0.75979%0.791SS**  trans-167.2119.9140-94.7148.2000110.8
251K25.1Very low27.8Very low191 Ų191143.5 Ų143.583%0.8379%0.791SS**  trans64.9109.3143.9-65.2177.5-177.7179.30121.3
252V27.6Very low28.3Very low139 Ų139142 Ų14284%0.84280%0.796SS**  trans-63.3124.2156.7178.80000110.2V254V252-V254 HydrophobicContact CG1-CG2 4.36Å
253A24.6Very low28.8Very low98 Ų98142 Ų14281%0.8180%0.796SS**  trans-115.6116.2162.800000108.8G255A253-G255 PolarHBondContact O-N 2.92Å
254V31.7Very low28.9Very low139 Ų139143.5 Ų143.584%0.84281%0.805SS**  trans-73.8102.5173.8174.30000108.2V252V252-V254 HydrophobicContact CG1-CG2 4.36Å
255G27.7Very low29.3Very low64 Ų64142.8 Ų142.866%0.6680%0.796SS**  trans-108.4112.3172.300000110.8A253 R257A253-G255 PolarHBondContact O-N 2.92Å; G255-R257 PolarHBondContact O-N 3.41Å
256V28.6Very low29.9Very low134 Ų134141.6 Ų141.681%0.81279%0.786SS**  trans-51.1118.2175.11740000110.6R258V256-R258 PolarHBondContact O-N 3.38Å
257R26.8Very low30.3Very low238 Ų238145.4 Ų145.490%0.89879%0.791SS**  trans-71.5110.2174.2-73.7-173.1178.9-163.80.7110G255G255-R257 PolarHBondContact O-N 3.41Å
258R30Very low31.8Very low239 Ų239142.2 Ų142.290%0.90278%0.775SS**  trans-86.1115.1154.3-77.2-174.6173.2-178.1-1.3108.4V256V256-R258 PolarHBondContact O-N 3.38Å
259S28.4Very low33.5Very low110 Ų110134.7 Ų134.777%0.76975%0.746SS**PPolyproline II helixtrans-65.7132.8173.1-38.30000110.3
260P31.5Very low35.5Very low113 Ų113127.5 Ų127.573%0.73471%0.714SS**PPolyproline II helixtrans-73.6154.1165.2-1.217.4000110.4
261P31.8Very low37.6Very low112 Ų112130.7 Ų130.773%0.72772%0.722SS**PPolyproline II helixtrans-70.9134.8-174.129.7-31.6000110.7L263P261-L263 PolarHBondContact O-N 2.8Å
262V33.9Very low40.2Very low140 Ų140127.5 Ų127.585%0.84871%0.705SS**  trans-69107173-177.40000107.9
263L34.7Very low42.5Very low147 Ų147129.9 Ų129.977%0.7771%0.707SS**  trans-77.8139.2167.3-102.699.2000109.7P261P261-L263 PolarHBondContact O-N 2.8Å
264C30Very low45.3Very low116 Ų116125.9 Ų125.978%0.78467%0.673SS**  trans8766.8172.6-480000116.1
265N32.5Very low48Very low125 Ų125121.4 Ų121.467%0.66865%0.648SS**PPolyproline II helixtrans-84.2135145.8-115.12.6000107.8R305N265-R305 PolarHBondContact OD1-NH1 2.63Å
266P39.8Very low50.8Low79 Ų79119.2 Ų119.251%0.51362%0.622SS.*PPolyproline II helixtrans-54.7145.7166.321.8-30.3000109.6S268P266-S268 PolarHBondContact O-N 3.38Å
267K43.1Very low53.6Low196 Ų196119 Ų11985%0.85261%0.612SS**PPolyproline II helixtrans-53.8132.6179.5-70.4-177.5179.9178.20109V269 Q313K267-V269 PolarHBondContact O-N 3.21Å; K267-Q313 PolarHBondContact O-NE2 2.92Å
268S57.8Low56.4Low72 Ų72110.1 Ų110.150%0.50358%0.58SS.*PPolyproline II helixtrans-54.9130.1175.7178.70000109.3P266 V270P266-S268 PolarHBondContact O-N 3.38Å; S268-V270 PolarHBondContact OG-N 3.11Å; S268-V270 PolarHBondContact OG-O 3.26Å
269V65.8Low59.2Low46 Ų4698.8 Ų98.828%0.27954%0.538SS..SBendtrans-72.2-21.2173.3-700000111.7K267 K271 V328 C329K267-V269 PolarHBondContact O-N 3.21Å; V269-K271 PolarHBondContact O-N 3.37Å; V269-V328 HydrophobicContact CB-CG1 3.85Å; V269-V328 HydrophobicContact CG1-CG1 3.77Å; V269-V328 HydrophobicContact CG2-CG1 3.73Å; V269-C329 VanDerWaalsContact CB-SG 3.56Å; V269-C329 VanDerWaalsContact CG2-SG 3.57Å; V269-C329 PolarHBondContact O-SG 3.25Å; V269-C329 VanDerWaalsContact O-SG 3.38Å
270V69.7Low62Low31 Ų3198 Ų9819%0.18852%0.524CS..  trans-77.2115.8174.9177.40000108.9S268 R272 H311 F331S268-V270 PolarHBondContact OG-N 3.11Å; S268-V270 PolarHBondContact OG-O 3.26Å; V270-R272 WeakPolarHBondContact CG1-O 3.48Å; V270-H311 HydrophobicContact CG2-CB 4.09Å; V270-F331 HydrophobicContact CG1-CZ 4.14Å; V270-F331 HydrophobicContact CG2-CE1 4.18Å; V270-F331 HydrophobicContact CG2-CZ 4.16Å
271K69.2Low64.7Low216 Ų21696.1 Ų96.194%0.93951%0.511SS*.SBendtrans-81-25.6-177.6-64-178.7-178.61760113.7V269V269-K271 PolarHBondContact O-N 3.37Å
272R80Confident67.3Low124 Ų12496.9 Ų96.947%0.46852%0.516SS..SBendtrans-133.2138.2-179.3-178.5-179.665.590.8-8.8109.5V270 V274 E278V270-R272 WeakPolarHBondContact CG1-O 3.48Å; R272-V274 PolarHBondContact O-N 3.03Å; R272-E278 IonicContact CZ-OE1 3.04Å; R272-E278 VanDerWaalsContact CZ-OE1 3.27Å; R272-E278 IonicContact CZ-OE2 2.82Å; R272-E278 VanDerWaalsContact NH1-CD 3.33Å; R272-E278 IonicContact NH1-OE1 3.29Å; R272-E278 PolarHBondContact NH1-OE1 2.84Å; R272-E278 IonicContact NH1-OE2 2.64Å; R272-E278 PolarHBondContact NH1-OE2 2.88Å; R272-E278 IonicContact NH2-OE1 2.62Å; R272-E278 PolarHBondContact NH2-OE1 2.79Å; R272-E278 IonicContact NH2-OE2 3.27Å
273Q75.6Confident69.6Low188 Ų18894.6 Ų94.688%0.87952%0.521SS*.  trans-64.8127.3171.1-75.3-174.7-15.700110.1
274V83.6Confident72Confident15 Ų1588.9 Ų88.99%0.09150%0.497CS..  trans-114129.9176.4-179.10000106.8R272 E278 L279 F286 P309 F331R272-V274 PolarHBondContact O-N 3.03Å; V274-E278 HydrophobicContact CG1-CB 4.2Å; V274-E278 HydrophobicContact CG1-CG 4.32Å; V274-L279 HydrophobicContact CG1-CD2 3.77Å; V274-L279 HydrophobicContact CG1-CG 3.8Å; V274-F286 HydrophobicContact CG1-CE2 3.99Å; V274-F286 HydrophobicContact CG1-CZ 3.8Å; V274-F286 HydrophobicContact CG2-CZ 4.06Å; V274-P309 WeakPolarHBondContact O-CD 3.1Å; V274-F331 HydrophobicContact CB-CE1 4.25Å; V274-F331 HydrophobicContact CB-CE2 4.21Å; V274-F331 HydrophobicContact CB-CZ 3.76Å; V274-F331 HydrophobicContact CG1-CE2 4.41Å; V274-F331 HydrophobicContact CG1-CZ 4.41Å; V274-F331 HydrophobicContact CG2-CE2 3.98Å; V274-F331 HydrophobicContact CG2-CZ 3.64Å
275S86.7Confident74.7Confident45 Ų4586.3 Ų86.332%0.31548%0.479SS..  trans-89.3157.5179.488.10000111.5E277 E278 L279S275-E277 WeakPolarHBondContact CB-OE2 3.49Å; S275-E277 PolarHBondContact O-N 2.93Å; S275-E277 PolarHBondContact OG-N 2.8Å; S275-E277 PolarHBondContact OG-OE2 3.34Å; S275-E278 WeakPolarHBondContact O-CB 3.49Å; S275-E278 PolarHBondContact O-N 3.31Å; S275-E278 PolarHBondContact OG-N 3.25Å; S275-L279 PolarHBondContact O-N 2.8Å; S275-L279 VanDerWaalsContact O-N 3.17Å
276P87.4Confident77.5Confident18 Ų1881.4 Ų81.412%0.11745%0.452CS..Hα-helixtrans-56.2-35.6173.4-27.137.4000113.5E278 L279 L280 L341P276-E278 VanDerWaalsContact C-N 3.35Å; P276-L279 PolarHBondContact O-N 3.27Å; P276-L280 WeakPolarHBondContact O-CG 3.44Å; P276-L280 PolarHBondContact O-N 2.74Å; P276-L341 HydrophobicContact CB-CB 4.3Å
277E87.1Confident80Confident130 Ų13081.9 Ų81.961%0.60745%0.449SS*.Hα-helixtrans-66.4-39.3178.6-55.474.1-157.500111.2S275 L280 T281S275-E277 WeakPolarHBondContact CB-OE2 3.49Å; S275-E277 PolarHBondContact O-N 2.93Å; S275-E277 PolarHBondContact OG-N 2.8Å; S275-E277 PolarHBondContact OG-OE2 3.34Å; E277-L280 PolarHBondContact O-N 3.35Å; E277-T281 PolarHBondContact O-N 3.32Å; E277-T281 VanDerWaalsContact O-N 3.12Å; E277-T281 PolarHBondContact O-OG1 2.82Å
278E86.8Confident82.4Confident50 Ų5077 Ų7723%0.23443%0.428CS..Hα-helixtrans-64.3-43.6176.2-170.8-177.4171.200111.8R272 V274 S275 P276 L280 T281 F286R272-E278 IonicContact CZ-OE1 3.04Å; R272-E278 VanDerWaalsContact CZ-OE1 3.27Å; R272-E278 IonicContact CZ-OE2 2.82Å; R272-E278 VanDerWaalsContact NH1-CD 3.33Å; R272-E278 IonicContact NH1-OE1 3.29Å; R272-E278 PolarHBondContact NH1-OE1 2.84Å; R272-E278 IonicContact NH1-OE2 2.64Å; R272-E278 PolarHBondContact NH1-OE2 2.88Å; R272-E278 IonicContact NH2-OE1 2.62Å; R272-E278 PolarHBondContact NH2-OE1 2.79Å; R272-E278 IonicContact NH2-OE2 3.27Å; V274-E278 HydrophobicContact CG1-CB 4.2Å; V274-E278 HydrophobicContact CG1-CG 4.32Å; S275-E278 WeakPolarHBondContact O-CB 3.49Å; S275-E278 PolarHBondContact O-N 3.31Å; S275-E278 PolarHBondContact OG-N 3.25Å; P276-E278 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 3.39Å; E278-T281 WeakPolarHBondContact O-CB 3.47Å; E278-T281 PolarHBondContact O-N 2.76Å; E278-T281 PolarHBondContact O-OG1 2.89Å; E278-F286 HydrophobicContact CG-CE2 4.16Å
279L87.9Confident84.2Confident2 Ų277.1 Ų77.11%0.0142%0.419CS..Hα-helixtrans-60.4-35.4176.3-72.5178.4000112.5V274 S275 P276 F286 P309 F331 L341 M364V274-L279 HydrophobicContact CG1-CD2 3.77Å; V274-L279 HydrophobicContact CG1-CG 3.8Å; S275-L279 PolarHBondContact O-N 2.8Å; S275-L279 VanDerWaalsContact O-N 3.17Å; P276-L279 PolarHBondContact O-N 3.27Å; L279-F286 HydrophobicContact CD2-CB 4.3Å; L279-F286 HydrophobicContact CD2-CD1 3.67Å; L279-F286 HydrophobicContact CD2-CD2 3.96Å; L279-F286 HydrophobicContact CD2-CE1 3.92Å; L279-F286 HydrophobicContact CD2-CE2 4.19Å; L279-F286 HydrophobicContact CD2-CG 3.7Å; L279-F286 HydrophobicContact CD2-CZ 4.18Å; L279-P309 HydrophobicContact CD1-CB 3.82Å; L279-P309 HydrophobicContact CD1-CG 3.61Å; L279-F331 HydrophobicContact CD1-CB 3.63Å; L279-F331 HydrophobicContact CD1-CD1 4.36Å; L279-F331 HydrophobicContact CD1-CD2 4.44Å; L279-F331 HydrophobicContact CD1-CG 3.91Å; L279-F331 HydrophobicContact CD2-CB 4.14Å; L279-F331 HydrophobicContact CD2-CD2 3.71Å; L279-F331 HydrophobicContact CD2-CE2 4.35Å; L279-F331 HydrophobicContact CD2-CG 4.02Å; L279-L341 HydrophobicContact CD1-CD2 3.74Å; L279-M364 HydrophobicContact CB-SD 3.92Å; L279-M364 HydrophobicContact CD2-CB 4.13Å; L279-M364 WeakPolarHBondContact O-CE 3.43Å; L279-M364 VanDerWaalsContact O-SD 3.32Å
280L87.6Confident85.6Confident93 Ų9379 Ų7949%0.48743%0.431SS..THydrogen-bonded Turntrans-91.21.4-177-65.2176.4000113.7P276 E277 E278 P282 L341P276-L280 WeakPolarHBondContact O-CG 3.44Å; P276-L280 PolarHBondContact O-N 2.74Å; E277-L280 PolarHBondContact O-N 3.35Å; E278-L280 PolarHBondContact O-N 3.39Å; L280-P282 VanDerWaalsContact O-CD 3.3Å; L280-P282 WeakPolarHBondContact O-CD 2.93Å; L280-L341 HydrophobicContact CD1-CD1 3.7Å; L280-L341 HydrophobicContact CD2-CD1 3.88Å; L280-L341 HydrophobicContact CG-CD1 3.85Å
281T88.1Confident86.9Confident74 Ų7478.4 Ų78.445%0.45443%0.426SS..  trans-64.1119.4-177.6-64.30000110.2E277 E278 G283 G284E277-T281 PolarHBondContact O-N 3.32Å; E277-T281 VanDerWaalsContact O-N 3.12Å; E277-T281 PolarHBondContact O-OG1 2.82Å; E278-T281 WeakPolarHBondContact O-CB 3.47Å; E278-T281 PolarHBondContact O-N 2.76Å; E278-T281 PolarHBondContact O-OG1 2.89Å; T281-G283 PolarHBondContact O-N 3.39Å; T281-G284 WeakPolarHBondContact O-CA 3.21Å; T281-G284 PolarHBondContact O-N 2.89Å
282P85.4Confident88.2Confident128 Ų12872 Ų7283%0.83141%0.405SS*.THydrogen-bonded Turntrans-59.7129.8178.8-23.534.1000111.5L280 G284L280-P282 VanDerWaalsContact O-CD 3.3Å; L280-P282 WeakPolarHBondContact O-CD 2.93Å; P282-G284 PolarHBondContact O-N 3Å
283G82.9Confident88.8Confident92 Ų9266.1 Ų66.195%0.94838%0.383SS*.THydrogen-bonded Turntrans69.610.3-175.300000114.5T281T281-G283 PolarHBondContact O-N 3.39Å
284G84.9Confident89.5Confident26 Ų2661.5 Ų61.527%0.26837%0.367SS..  trans-67.5173.1174.800000113.1T281 P282 F286T281-G284 WeakPolarHBondContact O-CA 3.21Å; T281-G284 PolarHBondContact O-N 2.89Å; P282-G284 PolarHBondContact O-N 3Å; G284-F286 PolarHBondContact O-N 2.9Å; G284-F286 VanDerWaalsContact O-N 3.08Å
285P87.3Confident89.3Confident63 Ų6361 Ų6141%0.40937%0.365SS..SBendtrans-74.51.7-173.332-36.3000113.6E366 A367P285-E366 CarbonylContact O-C 3.57Å; P285-E366 WeakPolarHBondContact O-CA 3.21Å; P285-A367 WeakPolarHBondContact O-CB 3.27Å; P285-A367 PolarHBondContact O-N 2.84Å
286F91.1Very high88.9Confident22 Ų2262.2 Ų62.210%0.09637%0.368CS..EExtended strand (participates in β ladder)trans-104132.7-175.9-66.8-82.9000111.8V274 E278 L279 G284 F331 M364 E365 E366V274-F286 HydrophobicContact CG1-CE2 3.99Å; V274-F286 HydrophobicContact CG1-CZ 3.8Å; V274-F286 HydrophobicContact CG2-CZ 4.06Å; E278-F286 HydrophobicContact CG-CE2 4.16Å; L279-F286 HydrophobicContact CD2-CB 4.3Å; L279-F286 HydrophobicContact CD2-CD1 3.67Å; L279-F286 HydrophobicContact CD2-CD2 3.96Å; L279-F286 HydrophobicContact CD2-CE1 3.92Å; L279-F286 HydrophobicContact CD2-CE2 4.19Å; L279-F286 HydrophobicContact CD2-CG 3.7Å; L279-F286 HydrophobicContact CD2-CZ 4.18Å; G284-F286 PolarHBondContact O-N 2.9Å; G284-F286 VanDerWaalsContact O-N 3.08Å; F286-F331 HydrophobicContact CE1-CD2 4.23Å; F286-F331 AromaticContact CE1-CE2 4Å; F286-F331 HydrophobicContact CE1-CE2 4Å; F286-M364 HydrophobicContact CB-CB 4.43Å; F286-E365 CarbonylContact C-O 3.6Å; F286-E365 WeakPolarHBondContact CA-O 3.48Å; F286-E366 HydrophobicContact CD1-CB 4.31Å; F286-E366 HydrophobicContact CE1-CB 4.06Å
287I91.7Very high87.7Confident88 Ų8866 Ų6645%0.45140%0.401SS..EExtended strand (participates in β ladder)trans-106.4133.3177.9-37174.1000108.8M364 E365 A367I287-M364 WeakPolarHBondContact O-CA 3.08Å; I287-E365 PolarHBondContact N-O 3.24Å; I287-E365 PolarHBondContact O-N 2.75Å; I287-A367 HydrophobicContact CD1-CB 3.6Å; I287-A367 HydrophobicContact CG1-CB 3.74Å
288K93.4Very high86.7Confident94 Ų9464 Ų6441%0.40940%0.398SS..EExtended strand (participates in β ladder)trans-81.3137.5174.6-173.3-176.4-95-161.40111E362 V363 M364K288-E362 HydrophobicContact CD-CB 4.45Å; K288-E362 WeakPolarHBondContact CD-OE1 3.36Å; K288-E362 VanDerWaalsContact NZ-CD 3.33Å; K288-E362 IonicContact NZ-OE1 3.26Å; K288-E362 PolarHBondContact NZ-OE1 3.45Å; K288-E362 IonicContact NZ-OE2 3.81Å; K288-E362 PolarHBondContact NZ-OE2 3.19Å; K288-V363 CarbonylContact C-O 3.47Å; K288-V363 WeakPolarHBondContact CA-O 3.2Å; K288-M364 HydrophobicContact CB-CE 4.24Å; K288-M364 HydrophobicContact CB-CG 4.14Å; K288-M364 HydrophobicContact CG-CG 4.47Å
289K95.2Very high86.4Confident75 Ų7562.2 Ų62.233%0.32639%0.392SS..EExtended strand (participates in β ladder)trans-127.6147.1170.9-71.7-172.7169178.10110.7F291 E362 V363 E365K289-F291 HydrophobicContact CB-CE2 4.18Å; K289-F291 HydrophobicContact CB-CZ 4.12Å; K289-F291 HydrophobicContact CD-CZ 4.06Å; K289-E362 CarbonylContact O-C 3.55Å; K289-E362 WeakPolarHBondContact O-CA 3.31Å; K289-V363 HydrophobicContact CB-CG2 4.15Å; K289-V363 PolarHBondContact N-O 2.92Å; K289-V363 PolarHBondContact O-N 3.16Å; K289-E365 WeakPolarHBondContact CD-OE1 3.3Å; K289-E365 WeakPolarHBondContact CE-OE1 3.43Å; K289-E365 IonicContact NZ-OE1 2.84Å; K289-E365 PolarHBondContact NZ-OE1 2.94Å
290T97.1Very high86.6Confident84 Ų8463.3 Ų63.352%0.51540%0.396SS..EExtended strand (participates in β ladder)trans-118.1128.8176.1-53.50000109.5V360 M361 E362T290-V360 HydrophobicContact CG2-CG1 3.87Å; T290-M361 CarbonylContact C-O 3.47Å; T290-M361 WeakPolarHBondContact CA-O 3.37Å; T290-E362 HydrophobicContact CG2-CG 4.34Å
291F96.5Very high86.4Confident20 Ų2059.5 Ų59.59%0.08838%0.38CS..EExtended strand (participates in β ladder)trans-120.4136.5179.9-64.6-58.8000110.7K289 I293 V324 M326 V360 M361 V363K289-F291 HydrophobicContact CB-CE2 4.18Å; K289-F291 HydrophobicContact CB-CZ 4.12Å; K289-F291 HydrophobicContact CD-CZ 4.06Å; F291-I293 HydrophobicContact CB-CD1 4.5Å; F291-I293 HydrophobicContact CB-CG1 4.2Å; F291-V324 HydrophobicContact CB-CG2 4.13Å; F291-V324 HydrophobicContact CD1-CB 4.25Å; F291-V324 HydrophobicContact CD1-CG2 3.97Å; F291-V324 VanDerWaalsContact CD1-O 3.25Å; F291-V324 WeakPolarHBondContact CD1-O 3.37Å; F291-V324 WeakPolarHBondContact CE1-O 3.26Å; F291-V324 HydrophobicContact CG-CG2 4.19Å; F291-M326 HydrophobicContact CD2-CE 4.06Å; F291-M326 HydrophobicContact CE2-CB 4.47Å; F291-V360 CarbonylContact O-C 3.59Å; F291-V360 VanDerWaalsContact O-CA 3.31Å; F291-V360 WeakPolarHBondContact O-CA 3.34Å; F291-M361 PolarHBondContact N-O 2.83Å; F291-M361 PolarHBondContact O-N 3.32Å; F291-V363 HydrophobicContact CD2-CG2 3.84Å; F291-V363 HydrophobicContact CE2-CG2 3.46Å; F291-V363 VanDerWaalsContact CE2-CG2 3.46Å
292T96Very high86.4Confident81 Ų8156.4 Ų56.450%0.49736%0.36SS..EExtended strand (participates in β ladder)trans-110.3109.6169.3-59.20000108.5T358 I359 V360T292-T358 HydrophobicContact CG2-CG2 3.71Å; T292-I359 CarbonylContact C-O 3.53Å; T292-I359 WeakPolarHBondContact CA-O 3.46Å; T292-V360 HydrophobicContact CG2-CG2 4.41Å
293I93.1Very high86.2Confident0 Ų052 Ų520%033%0.331CS..EExtended strand (participates in β ladder)trans-113121.3-171.9-44.8167.2000109F291 W300 F302 P320 A321 V324 M326 T358 I359 M361F291-I293 HydrophobicContact CB-CD1 4.5Å; F291-I293 HydrophobicContact CB-CG1 4.2Å; I293-W300 HydrophobicContact CG2-CB 4.12Å; I293-W300 HydrophobicContact CG2-CG 4.4Å; I293-F302 HydrophobicContact CD1-CD1 4.35Å; I293-F302 HydrophobicContact CD1-CE1 3.88Å; I293-P320 HydrophobicContact CG2-CB 3.78Å; I293-A321 HydrophobicContact CD1-CB 4.34Å; I293-V324 HydrophobicContact CG1-CG2 3.85Å; I293-M326 HydrophobicContact CD1-CE 3.47Å; I293-M326 VanDerWaalsContact CD1-CE 3.47Å; I293-M326 HydrophobicContact CD1-SD 4.45Å; I293-T358 CarbonylContact O-C 3.5Å; I293-T358 WeakPolarHBondContact O-CA 3.37Å; I293-I359 PolarHBondContact N-O 3.31Å; I293-I359 PolarHBondContact O-N 3.12Å; I293-M361 HydrophobicContact CD1-SD 4.17Å
294V90.1Very high86.2Confident91 Ų9147.8 Ų47.855%0.55229%0.286SS*.EExtended strand (participates in β ladder)trans-95.4117.1173.3-175.60000108.7P320 T358V294-P320 VanDerWaalsContact O-CB 3.31Å; V294-P320 WeakPolarHBondContact O-CB 3.35Å; V294-T358 HydrophobicContact CG2-CG2 4.16Å
295G78.8Confident86.1Confident5 Ų548.5 Ų48.55%0.05228%0.281CS..  trans-69.6144.2-17800000113.7G299 R357G295-G299 CarbonylContact C-O 3.52Å; G295-G299 VanDerWaalsContact CA-O 3.23Å; G295-G299 WeakPolarHBondContact CA-O 3.31Å; G295-R357 PolarHBondContact N-O 3.39Å; G295-R357 PolarHBondContact O-NE 2.84Å; G295-R357 PolarHBondContact O-NH2 3.34Å; G295-R357 VanDerWaalsContact O-NH2 3.14Å
296D78Confident85.5Confident70 Ų7046.7 Ų46.737%0.37427%0.273SS..  trans-86.9-169171.26825.1000111.6V298 G299 P320 R357D296-V298 PolarHBondContact O-N 3.4Å; D296-V298 WeakPolarHBondContact OD1-CA 3.34Å; D296-V298 WeakPolarHBondContact OD1-CB 3.39Å; D296-V298 PolarHBondContact OD1-N 3.13Å; D296-G299 PolarHBondContact N-O 3.21Å; D296-G299 PolarHBondContact OD1-N 3.09Å; D296-G299 VanDerWaalsContact OD1-O 3.05Å; D296-P320 HydrophobicContact CB-CG 4.03Å; D296-P320 WeakPolarHBondContact OD2-CD 3.13Å; D296-R357 PolarHBondContact O-NH2 3.47Å
297A62.3Low84.9Confident97 Ų9749.4 Ų49.480%0.80230%0.295SS*.SBendtrans-64.8-18.8-179.800000113.9
298V67.6Low84.5Confident90 Ų9051.5 Ų51.555%0.54530%0.301SS..SBendtrans-103.8-31.9-175.5-175.70000111.5D296D296-V298 PolarHBondContact O-N 3.4Å; D296-V298 WeakPolarHBondContact OD1-CA 3.34Å; D296-V298 WeakPolarHBondContact OD1-CB 3.39Å; D296-V298 PolarHBondContact OD1-N 3.13Å
299G80.4Confident84.2Confident12 Ų1247.4 Ų47.412%0.12428%0.284CS..  trans153.3-141.9176.600000112.2G295 D296G295-G299 CarbonylContact C-O 3.52Å; G295-G299 VanDerWaalsContact CA-O 3.23Å; G295-G299 WeakPolarHBondContact CA-O 3.31Å; D296-G299 PolarHBondContact N-O 3.21Å; D296-G299 PolarHBondContact OD1-N 3.09Å; D296-G299 VanDerWaalsContact OD1-O 3.05Å
300W90.4Very high84Confident24 Ų2443.8 Ų43.89%0.09127%0.269CS..  trans-109.50.4-176.3-61.9-94.8000113.9I293 F302 A321 I352 L353 R357 I359I293-W300 HydrophobicContact CG2-CB 4.12Å; I293-W300 HydrophobicContact CG2-CG 4.4Å; W300-F302 HydrophobicContact CB-CD1 3.65Å; W300-F302 HydrophobicContact CB-CE1 3.34Å; W300-F302 HydrophobicContact CB-CZ 4.43Å; W300-F302 HydrophobicContact CG-CE1 4.15Å; W300-A321 WeakPolarHBondContact O-CB 3.35Å; W300-A321 PolarHBondContact O-N 3.18Å; W300-I352 HydrophobicContact CE3-CG2 4.31Å; W300-I352 HydrophobicContact CZ3-CG2 4.19Å; W300-L353 HydrophobicContact CZ3-CD2 4.36Å; W300-R357 PolarHBondContact NE1-O 3.22Å; W300-I359 HydrophobicContact CD2-CD1 3.59Å; W300-I359 HydrophobicContact CE3-CD1 4.24Å; W300-I359 HydrophobicContact CG-CD1 3.86Å; W300-I359 HydrophobicContact CH2-CD1 4.31Å; W300-I359 HydrophobicContact CZ2-CD1 3.67Å; W300-I359 HydrophobicContact CZ2-CG1 4.07Å
301G84.9Confident83.6Confident14 Ų1440.4 Ų40.414%0.14425%0.247CC..SBendtrans75.125175.100000115.6V315 D316G301-V315 WeakPolarHBondContact O-CA 3.09Å; G301-D316 WeakPolarHBondContact O-CB 3Å; G301-D316 PolarHBondContact O-N 3.04Å
302F87.3Confident83.3Confident9 Ų939.4 Ų39.44%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-140.7164.8174.368.3-85.9000113.1L38 I293 W300 V304 I312 A314 A321 M326 I352 M361L38-F302 HydrophobicContact CD1-CD2 4.34Å; L38-F302 HydrophobicContact CD1-CE2 4.04Å; I293-F302 HydrophobicContact CD1-CD1 4.35Å; I293-F302 HydrophobicContact CD1-CE1 3.88Å; W300-F302 HydrophobicContact CB-CD1 3.65Å; W300-F302 HydrophobicContact CB-CE1 3.34Å; W300-F302 HydrophobicContact CB-CZ 4.43Å; W300-F302 HydrophobicContact CG-CE1 4.15Å; F302-V304 HydrophobicContact CD2-CG2 3.75Å; F302-V304 HydrophobicContact CE2-CG2 3.46Å; F302-V304 VanDerWaalsContact CE2-CG2 3.46Å; F302-I312 HydrophobicContact CB-CG2 4.44Å; F302-I312 HydrophobicContact CD2-CD1 3.93Å; F302-I312 HydrophobicContact CE2-CD1 4.34Å; F302-A314 CarbonylContact C-O 3.59Å; F302-A314 VanDerWaalsContact CA-O 3.26Å; F302-A314 WeakPolarHBondContact CA-O 3.43Å; F302-A321 HydrophobicContact CB-CB 3.95Å; F302-A321 HydrophobicContact CD1-CB 3.69Å; F302-A321 HydrophobicContact CG-CB 4.24Å; F302-M326 HydrophobicContact CB-SD 3.72Å; F302-M326 HydrophobicContact CD1-SD 3.97Å; F302-M326 HydrophobicContact CD2-SD 4.06Å; F302-M326 HydrophobicContact CG-SD 3.67Å; F302-I352 HydrophobicContact CE2-CD1 4.13Å; F302-I352 HydrophobicContact CZ-CD1 4.15Å; F302-M361 HydrophobicContact CE1-SD 4.11Å; F302-M361 HydrophobicContact CE2-CE 4.07Å; F302-M361 HydrophobicContact CE2-SD 3.86Å; F302-M361 HydrophobicContact CZ-CE 4.2Å; F302-M361 HydrophobicContact CZ-SD 3.39Å; F302-M361 WeakPolarHBondContact CZ-SD 3.07Å
303V82.1Confident82.8Confident35 Ų3536.8 Ų36.821%0.21222%0.224CC..EExtended strand (participates in β ladder)trans-125.7126.6176.8-179.10000109.7R305 I312 Q313 A314V303-R305 HydrophobicContact CG1-CG 4.33Å; V303-I312 CarbonylContact O-C 3.54Å; V303-Q313 HydrophobicContact CB-CB 4.4Å; V303-Q313 HydrophobicContact CG1-CB 4.24Å; V303-Q313 PolarHBondContact O-N 3.35Å; V303-A314 HydrophobicContact CB-CB 4.13Å; V303-A314 HydrophobicContact CG2-CB 4.12Å; V303-A314 PolarHBondContact N-O 2.64Å
304V82.9Confident82.2Confident3 Ų338.6 Ų38.62%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-98.6136.1173.5-176.50000110.2L38 F302 C310 H311 I312 V332 V348 I352L38-V304 HydrophobicContact CD1-CB 4.35Å; L38-V304 HydrophobicContact CD1-CG2 4.01Å; F302-V304 HydrophobicContact CD2-CG2 3.75Å; F302-V304 HydrophobicContact CE2-CG2 3.46Å; F302-V304 VanDerWaalsContact CE2-CG2 3.46Å; V304-C310 HydrophobicContact CG1-CB 3.74Å; V304-H311 WeakPolarHBondContact CA-O 3.41Å; V304-I312 HydrophobicContact CG2-CD1 4.1Å; V304-V332 HydrophobicContact CG1-CG2 4.29Å; V304-V348 HydrophobicContact CG1-CG1 4.33Å; V304-I352 HydrophobicContact CG2-CD1 4.25Å
305R81.7Confident81.8Confident42 Ų4235.7 Ų35.716%0.15822%0.222CC..EExtended strand (participates in β ladder)trans-136.5-174.4171.3-66.8-63.1-173.2125.9-0.2109.3N265 V303 C310 H311 Q313N265-R305 PolarHBondContact OD1-NH1 2.63Å; V303-R305 HydrophobicContact CG1-CG 4.33Å; R305-C310 CarbonylContact O-C 3.36Å; R305-C310 WeakPolarHBondContact O-CA 3.31Å; R305-C310 WeakPolarHBondContact O-CB 3.28Å; R305-H311 PolarHBondContact N-O 3.4Å; R305-H311 PolarHBondContact O-N 3Å; R305-Q313 HydrophobicContact CB-CB 4.05Å; R305-Q313 HydrophobicContact CB-CG 4.5Å; R305-Q313 HydrophobicContact CG-CB 3.68Å; R305-Q313 HydrophobicContact CG-CG 3.87Å
306G75.9Confident81.7Confident24 Ų2438.9 Ų38.925%0.24724%0.238CC..EExtended strand (participates in β ladder)trans98.7164.1-179.800000113.1Y345G306-Y345 VanDerWaalsContact O-CB 3.3Å; G306-Y345 WeakPolarHBondContact O-CB 3.42Å; G306-Y345 VanDerWaalsContact O-CD1 3.28Å; G306-Y345 WeakPolarHBondContact O-CD1 3.11Å; G306-Y345 PolarHBondContact O-N 3.34Å
307S77.1Confident81.6Confident80 Ų8041.3 Ų41.356%0.55926%0.258SS*.SBendtrans-104.8-66.8176.651.30000109.8H343 D344S307-H343 CarbonylContact O-C 3.51Å; S307-H343 VanDerWaalsContact O-C 3.3Å; S307-D344 WeakPolarHBondContact O-CA 3.23Å; S307-D344 PolarHBondContact O-N 2.83Å
308K83.1Confident82.5Confident131 Ų13140.4 Ų40.457%0.5726%0.258SS*.SBendtrans-153.9106.1179.8-57-177.1-172.3-170.10107.6C342K308-C342 VanDerWaalsContact CD-O 3.29Å; K308-C342 WeakPolarHBondContact CD-O 3.17Å; K308-C342 WeakPolarHBondContact CE-O 3.21Å; K308-C342 PolarHBondContact NZ-O 3.17Å
309P88.5Confident83.2Confident8 Ų836.4 Ų36.45%0.05223%0.234CC..SBendcis-78.4161.6-4.232.8-33.8000113.3V274 L279 F331 L341V274-P309 WeakPolarHBondContact O-CD 3.1Å; L279-P309 HydrophobicContact CD1-CB 3.82Å; L279-P309 HydrophobicContact CD1-CG 3.61Å; P309-F331 HydrophobicContact CB-CD1 4.17Å; P309-F331 HydrophobicContact CG-CD1 3.57Å; P309-F331 HydrophobicContact CG-CE1 3.97Å; P309-F331 HydrophobicContact CG-CG 4.36Å; P309-L341 WeakPolarHBondContact CA-O 3.42Å; P309-L341 HydrophobicContact CB-CD2 4.05Å
310C90.8Very high83.5Confident0 Ų036.9 Ų36.90%024%0.235CC..EExtended strand (participates in β ladder)trans-78.1152.5169-71.90000111.3V304 R305 F331 V332 H343 D344 Y345 V348V304-C310 HydrophobicContact CG1-CB 3.74Å; R305-C310 CarbonylContact O-C 3.36Å; R305-C310 WeakPolarHBondContact O-CA 3.31Å; R305-C310 WeakPolarHBondContact O-CB 3.28Å; C310-F331 CarbonylContact O-C 3.55Å; C310-F331 WeakPolarHBondContact O-CA 3.33Å; C310-V332 HydrophobicContact CB-CB 4.4Å; C310-V332 HydrophobicContact CB-CG2 4.46Å; C310-V332 PolarHBondContact O-N 2.97Å; C310-H343 PolarHBondContact SG-O 3.19Å; C310-D344 VanDerWaalsContact SG-C 3.52Å; C310-Y345 WeakPolarHBondContact SG-CA 3.41Å; C310-Y345 PolarHBondContact SG-N 3.22Å; C310-V348 HydrophobicContact CB-CG2 4.45Å
311H88Confident83.6Confident12 Ų1235.7 Ų35.76%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-137.2157.2179.169.7-85.5000112.9V270 V304 R305 Q313 Q330 F331V270-H311 HydrophobicContact CG2-CB 4.09Å; V304-H311 WeakPolarHBondContact CA-O 3.41Å; R305-H311 PolarHBondContact N-O 3.4Å; R305-H311 PolarHBondContact O-N 3Å; H311-Q313 PolarHBondContact NE2-OE1 2.82Å; H311-Q313 PolarHBondContact O-N 3.42Å; H311-Q330 CarbonylContact C-O 3.6Å; H311-Q330 WeakPolarHBondContact CA-O 3.4Å; H311-F331 HydrophobicContact CB-CD1 3.9Å; H311-F331 HydrophobicContact CB-CE1 4.1Å
312I91.4Very high83.9Confident0 Ų036.4 Ų36.40%024%0.235CC..EExtended strand (participates in β ladder)trans-74.8111.3172.2-52.4-53.6000108.8F302 V303 V304 V315 M326 K327 C329 Q330 V332 M361F302-I312 HydrophobicContact CB-CG2 4.44Å; F302-I312 HydrophobicContact CD2-CD1 3.93Å; F302-I312 HydrophobicContact CE2-CD1 4.34Å; V303-I312 CarbonylContact O-C 3.54Å; V304-I312 HydrophobicContact CG2-CD1 4.1Å; I312-V315 HydrophobicContact CG2-CG2 3.57Å; I312-M326 HydrophobicContact CD1-CE 4.36Å; I312-M326 HydrophobicContact CD1-SD 3.83Å; I312-M326 HydrophobicContact CG1-CG 4.24Å; I312-M326 HydrophobicContact CG1-SD 4.02Å; I312-M326 HydrophobicContact CG2-CG 4.27Å; I312-M326 HydrophobicContact CG2-SD 4.2Å; I312-K327 WeakPolarHBondContact CB-O 3.3Å; I312-K327 WeakPolarHBondContact CG2-O 3.39Å; I312-C329 PolarHBondContact O-N 2.94Å; I312-Q330 HydrophobicContact CB-CB 4.5Å; I312-Q330 HydrophobicContact CG1-CB 4.01Å; I312-Q330 WeakPolarHBondContact CG1-O 3.46Å; I312-Q330 PolarHBondContact N-O 2.82Å; I312-V332 HydrophobicContact CD1-CG2 3.88Å; I312-M361 HydrophobicContact CD1-CE 4.45Å
313Q84.3Confident84.1Confident25 Ų2540.2 Ų40.212%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-84.9-34-178.7179.466.837.600112.3K267 V303 R305 H311 V328K267-Q313 PolarHBondContact O-NE2 2.92Å; V303-Q313 HydrophobicContact CB-CB 4.4Å; V303-Q313 HydrophobicContact CG1-CB 4.24Å; V303-Q313 PolarHBondContact O-N 3.35Å; R305-Q313 HydrophobicContact CB-CB 4.05Å; R305-Q313 HydrophobicContact CB-CG 4.5Å; R305-Q313 HydrophobicContact CG-CB 3.68Å; R305-Q313 HydrophobicContact CG-CG 3.87Å; H311-Q313 PolarHBondContact NE2-OE1 2.82Å; H311-Q313 PolarHBondContact O-N 3.42Å; Q313-V328 WeakPolarHBondContact O-CG1 3.29Å
314A79.7Confident84.7Confident39 Ų3941 Ų4132%0.32227%0.273SS..EExtended strand (participates in β ladder)trans-153.5149.1-178.500000110.2F302 V303F302-A314 CarbonylContact C-O 3.59Å; F302-A314 VanDerWaalsContact CA-O 3.26Å; F302-A314 WeakPolarHBondContact CA-O 3.43Å; V303-A314 HydrophobicContact CB-CB 4.13Å; V303-A314 HydrophobicContact CG2-CB 4.12Å; V303-A314 PolarHBondContact N-O 2.64Å
315V81.8Confident85.2Confident30 Ų3042.5 Ų42.518%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-130.6131.6172-175.10000107.3G301 I312 P317 A321 A322 M326 V328G301-V315 WeakPolarHBondContact O-CA 3.09Å; I312-V315 HydrophobicContact CG2-CG2 3.57Å; V315-P317 WeakPolarHBondContact O-CD 3.21Å; V315-A321 HydrophobicContact CG1-CB 4.19Å; V315-A322 HydrophobicContact CG1-CB 3.82Å; V315-M326 HydrophobicContact CG2-CB 4.43Å; V315-M326 HydrophobicContact CG2-CG 3.99Å; V315-V328 HydrophobicContact CG2-CG2 4.33Å
316D77.2Confident85.8Confident72 Ų7240.9 Ų40.939%0.38528%0.284SS..  trans-75116.9174.4-172.8-12.6000109.1G301 G318 G319 A322G301-D316 WeakPolarHBondContact O-CB 3Å; G301-D316 PolarHBondContact O-N 3.04Å; D316-G318 PolarHBondContact O-N 2.82Å; D316-G318 VanDerWaalsContact O-N 3.11Å; D316-G318 PolarHBondContact OD1-N 2.78Å; D316-G319 PolarHBondContact O-N 3.04Å; D316-A322 WeakPolarHBondContact O-CB 3.39Å
317P76.4Confident86.6Confident121 Ų12145.3 Ų45.379%0.78630%0.296SS*.THydrogen-bonded Turntrans-57.7-26.8-174.3-25.734.8000115V315 A322V315-P317 WeakPolarHBondContact O-CD 3.21Å; P317-A322 WeakPolarHBondContact O-CB 3.22Å
318G81.1Confident87Confident78 Ų7844.5 Ų44.580%0.80429%0.287SS*.THydrogen-bonded Turntrans-98.80.8176.400000114.3D316D316-G318 PolarHBondContact O-N 2.82Å; D316-G318 VanDerWaalsContact O-N 3.11Å; D316-G318 PolarHBondContact OD1-N 2.78Å
319G82.1Confident87.3Confident5 Ų540.6 Ų40.65%0.05228%0.276CS..SBendtrans-90.8168.9-169.900000114.7D316 A321 A322 A323D316-G319 PolarHBondContact O-N 3.04Å; G319-A321 VanDerWaalsContact C-N 3.3Å; G319-A321 PolarHBondContact O-N 2.79Å; G319-A322 PolarHBondContact O-N 3.14Å; G319-A322 VanDerWaalsContact O-N 3.09Å; G319-A323 PolarHBondContact O-N 3.17Å; G319-A323 VanDerWaalsContact O-N 3.13Å
320P86.4Confident87.5Confident22 Ų2240.2 Ų40.214%0.14327%0.274CS..Hα-helixtrans-56-37.7-177.9-2835.1000115I293 V294 D296 A323 V324I293-P320 HydrophobicContact CG2-CB 3.78Å; V294-P320 VanDerWaalsContact O-CB 3.31Å; V294-P320 WeakPolarHBondContact O-CB 3.35Å; D296-P320 HydrophobicContact CB-CG 4.03Å; D296-P320 WeakPolarHBondContact OD2-CD 3.13Å; P320-A323 PolarHBondContact O-N 3.47Å; P320-V324 PolarHBondContact O-N 2.75Å
321A93Very high87.7Confident0 Ų040.9 Ų40.90%028%0.277CS..Hα-helixtrans-68.6-38177.100000113.3I293 W300 F302 V315 G319 A323 V324 G325 M326I293-A321 HydrophobicContact CD1-CB 4.34Å; W300-A321 WeakPolarHBondContact O-CB 3.35Å; W300-A321 PolarHBondContact O-N 3.18Å; F302-A321 HydrophobicContact CB-CB 3.95Å; F302-A321 HydrophobicContact CD1-CB 3.69Å; F302-A321 HydrophobicContact CG-CB 4.24Å; V315-A321 HydrophobicContact CG1-CB 4.19Å; G319-A321 VanDerWaalsContact C-N 3.3Å; G319-A321 PolarHBondContact O-N 2.79Å; A321-A323 VanDerWaalsContact C-N 3.31Å; A321-V324 WeakPolarHBondContact O-CG2 3.35Å; A321-V324 PolarHBondContact O-N 2.99Å; A321-G325 PolarHBondContact O-N 3.37Å; A321-M326 HydrophobicContact CB-CB 3.98Å; A321-M326 HydrophobicContact CB-CG 4.43Å; A321-M326 HydrophobicContact CB-SD 3.83Å; A321-M326 WeakPolarHBondContact O-CB 3.49Å; A321-M326 PolarHBondContact O-N 2.79Å
322A90.9Very high88Confident28 Ų2840.3 Ų40.323%0.23127%0.274CS..Hα-helixtrans-64.1-39.5173.900000111.2V315 D316 P317 G319 V324 G325V315-A322 HydrophobicContact CG1-CB 3.82Å; D316-A322 WeakPolarHBondContact O-CB 3.39Å; P317-A322 WeakPolarHBondContact O-CB 3.22Å; G319-A322 PolarHBondContact O-N 3.14Å; G319-A322 VanDerWaalsContact O-N 3.09Å; A322-V324 PolarHBondContact O-N 2.8Å; A322-G325 PolarHBondContact O-N 2.81Å
323A91.9Very high88.2Confident90 Ų9040.5 Ų40.574%0.74428%0.275SS*.Hα-helixtrans-59.6-29.118000000113.4G319 P320 A321G319-A323 PolarHBondContact O-N 3.17Å; G319-A323 VanDerWaalsContact O-N 3.13Å; P320-A323 PolarHBondContact O-N 3.47Å; A321-A323 VanDerWaalsContact C-N 3.31Å
324V94.8Very high88.8Confident52 Ų5239.5 Ų39.532%0.31527%0.271SS..THydrogen-bonded Turntrans-93.73.7175.6-55.80000113.6F291 I293 P320 A321 A322F291-V324 HydrophobicContact CB-CG2 4.13Å; F291-V324 HydrophobicContact CD1-CB 4.25Å; F291-V324 HydrophobicContact CD1-CG2 3.97Å; F291-V324 VanDerWaalsContact CD1-O 3.25Å; F291-V324 WeakPolarHBondContact CD1-O 3.37Å; F291-V324 WeakPolarHBondContact CE1-O 3.26Å; F291-V324 HydrophobicContact CG-CG2 4.19Å; I293-V324 HydrophobicContact CG1-CG2 3.85Å; P320-V324 PolarHBondContact O-N 2.75Å; A321-V324 WeakPolarHBondContact O-CG2 3.35Å; A321-V324 PolarHBondContact O-N 2.99Å; A322-V324 PolarHBondContact O-N 2.8Å
325G93.3Very high89.5Confident34 Ų3437.7 Ų37.735%0.35126%0.256SS..THydrogen-bonded Turntrans83.721.4177.100000115.2A321 A322A321-G325 PolarHBondContact O-N 3.37Å; A322-G325 PolarHBondContact O-N 2.81Å
326M94.8Very high90Very high8 Ų839 Ų394%0.03926%0.262CS..  trans-63.9140.3170.8-174.2170.2-77.300110.4F291 I293 F302 I312 V315 A321 M361F291-M326 HydrophobicContact CD2-CE 4.06Å; F291-M326 HydrophobicContact CE2-CB 4.47Å; I293-M326 HydrophobicContact CD1-CE 3.47Å; I293-M326 VanDerWaalsContact CD1-CE 3.47Å; I293-M326 HydrophobicContact CD1-SD 4.45Å; F302-M326 HydrophobicContact CB-SD 3.72Å; F302-M326 HydrophobicContact CD1-SD 3.97Å; F302-M326 HydrophobicContact CD2-SD 4.06Å; F302-M326 HydrophobicContact CG-SD 3.67Å; I312-M326 HydrophobicContact CD1-CE 4.36Å; I312-M326 HydrophobicContact CD1-SD 3.83Å; I312-M326 HydrophobicContact CG1-CG 4.24Å; I312-M326 HydrophobicContact CG1-SD 4.02Å; I312-M326 HydrophobicContact CG2-CG 4.27Å; I312-M326 HydrophobicContact CG2-SD 4.2Å; V315-M326 HydrophobicContact CG2-CB 4.43Å; V315-M326 HydrophobicContact CG2-CG 3.99Å; A321-M326 HydrophobicContact CB-CB 3.98Å; A321-M326 HydrophobicContact CB-CG 4.43Å; A321-M326 HydrophobicContact CB-SD 3.83Å; A321-M326 WeakPolarHBondContact O-CB 3.49Å; A321-M326 PolarHBondContact O-N 2.79Å; M326-M361 HydrophobicContact CE-SD 4.04Å
327K91.4Very high90.6Very high116 Ų11638.7 Ų38.750%0.50428%0.276SS..  trans-125.7157.9-178.2-62.2178.9-176.8176.40111.5I312 Q330I312-K327 WeakPolarHBondContact CB-O 3.3Å; I312-K327 WeakPolarHBondContact CG2-O 3.39Å; K327-Q330 HydrophobicContact CB-CG 4.05Å; K327-Q330 VanDerWaalsContact N-CD 3.32Å; K327-Q330 VanDerWaalsContact O-CG 3.31Å; K327-Q330 WeakPolarHBondContact O-CG 3.41Å; K327-Q330 PolarHBondContact O-OE1 2.62Å
328V86.9Confident91.3Very high63 Ų6337.7 Ų37.738%0.38226%0.263SS..THydrogen-bonded Turntrans-64.6150.3168.9-176.10000109.4V269 Q313 V315 Q330V269-V328 HydrophobicContact CB-CG1 3.85Å; V269-V328 HydrophobicContact CG1-CG1 3.77Å; V269-V328 HydrophobicContact CG2-CG1 3.73Å; Q313-V328 WeakPolarHBondContact O-CG1 3.29Å; V315-V328 HydrophobicContact CG2-CG2 4.33Å; V328-Q330 VanDerWaalsContact C-N 3.28Å; V328-Q330 PolarHBondContact O-N 3.47Å
329C87.7Confident92Very high50 Ų5038.3 Ų38.334%0.33825%0.249SC..THydrogen-bonded Turntrans70.68.5-177.4-59.70000116.3V269 I312V269-C329 VanDerWaalsContact CB-SG 3.56Å; V269-C329 VanDerWaalsContact CG2-SG 3.57Å; V269-C329 PolarHBondContact O-SG 3.25Å; V269-C329 VanDerWaalsContact O-SG 3.38Å; I312-C329 PolarHBondContact O-N 2.94Å
330Q93.3Very high92.6Very high0 Ų038.2 Ų38.20%025%0.247CC..PPolyproline II helixtrans-76134170.1-60.2-177.2-40.500110.1H311 I312 K327 V328 V363 M364 E365H311-Q330 CarbonylContact C-O 3.6Å; H311-Q330 WeakPolarHBondContact CA-O 3.4Å; I312-Q330 HydrophobicContact CB-CB 4.5Å; I312-Q330 HydrophobicContact CG1-CB 4.01Å; I312-Q330 WeakPolarHBondContact CG1-O 3.46Å; I312-Q330 PolarHBondContact N-O 2.82Å; K327-Q330 HydrophobicContact CB-CG 4.05Å; K327-Q330 VanDerWaalsContact N-CD 3.32Å; K327-Q330 VanDerWaalsContact O-CG 3.31Å; K327-Q330 WeakPolarHBondContact O-CG 3.41Å; K327-Q330 PolarHBondContact O-OE1 2.62Å; V328-Q330 VanDerWaalsContact C-N 3.28Å; V328-Q330 PolarHBondContact O-N 3.47Å; Q330-V363 HydrophobicContact CB-CB 4.06Å; Q330-V363 HydrophobicContact CB-CG2 3.97Å; Q330-V363 HydrophobicContact CG-CG2 4.4Å; Q330-M364 CarbonylContact C-O 3.55Å; Q330-M364 WeakPolarHBondContact CA-O 3.46Å; Q330-E365 HydrophobicContact CG-CB 4.05Å; Q330-E365 PolarHBondContact NE2-OE2 3.35Å
331F94.8Very high92.8Very high14 Ų1437.2 Ų37.26%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-87.8133.6178.8-67-78.8000111.1V270 V274 L279 F286 P309 C310 H311 V333 V363 M364V270-F331 HydrophobicContact CG1-CZ 4.14Å; V270-F331 HydrophobicContact CG2-CE1 4.18Å; V270-F331 HydrophobicContact CG2-CZ 4.16Å; V274-F331 HydrophobicContact CB-CE1 4.25Å; V274-F331 HydrophobicContact CB-CE2 4.21Å; V274-F331 HydrophobicContact CB-CZ 3.76Å; V274-F331 HydrophobicContact CG1-CE2 4.41Å; V274-F331 HydrophobicContact CG1-CZ 4.41Å; V274-F331 HydrophobicContact CG2-CE2 3.98Å; V274-F331 HydrophobicContact CG2-CZ 3.64Å; L279-F331 HydrophobicContact CD1-CB 3.63Å; L279-F331 HydrophobicContact CD1-CD1 4.36Å; L279-F331 HydrophobicContact CD1-CD2 4.44Å; L279-F331 HydrophobicContact CD1-CG 3.91Å; L279-F331 HydrophobicContact CD2-CB 4.14Å; L279-F331 HydrophobicContact CD2-CD2 3.71Å; L279-F331 HydrophobicContact CD2-CE2 4.35Å; L279-F331 HydrophobicContact CD2-CG 4.02Å; F286-F331 HydrophobicContact CE1-CD2 4.23Å; F286-F331 AromaticContact CE1-CE2 4Å; F286-F331 HydrophobicContact CE1-CE2 4Å; P309-F331 HydrophobicContact CB-CD1 4.17Å; P309-F331 HydrophobicContact CG-CD1 3.57Å; P309-F331 HydrophobicContact CG-CE1 3.97Å; P309-F331 HydrophobicContact CG-CG 4.36Å; C310-F331 CarbonylContact O-C 3.55Å; C310-F331 WeakPolarHBondContact O-CA 3.33Å; H311-F331 HydrophobicContact CB-CD1 3.9Å; H311-F331 HydrophobicContact CB-CE1 4.1Å; F331-V333 PolarHBondContact O-N 2.99Å; F331-V363 CarbonylContact O-C 3.51Å; F331-V363 WeakPolarHBondContact O-CA 3.46Å; F331-V363 VanDerWaalsContact O-CB 3.29Å; F331-V363 WeakPolarHBondContact O-CB 3.42Å; F331-M364 PolarHBondContact N-O 3.42Å; F331-M364 PolarHBondContact O-N 3.01Å
332V95.3Very high92.6Very high0 Ų040.9 Ų40.90%027%0.265CS..EExtended strand (participates in β ladder)trans-84.2116.4-177-1700000109.8V304 C310 I312 V335 V340 V348 M361V304-V332 HydrophobicContact CG1-CG2 4.29Å; C310-V332 HydrophobicContact CB-CB 4.4Å; C310-V332 HydrophobicContact CB-CG2 4.46Å; C310-V332 PolarHBondContact O-N 2.97Å; I312-V332 HydrophobicContact CD1-CG2 3.88Å; V332-V335 HydrophobicContact CG1-CG2 3.92Å; V332-V340 HydrophobicContact CB-CG2 4.18Å; V332-V340 HydrophobicContact CG1-CG2 3.55Å; V332-V348 HydrophobicContact CG1-CG1 4.47Å; V332-M361 HydrophobicContact CB-CE 4.43Å; V332-M361 HydrophobicContact CG1-CE 3.57Å; V332-M361 HydrophobicContact CG2-CE 3.94Å
333V96.1Very high92.3Very high3 Ų343.5 Ų43.52%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-92.3-48179.8-179.70000110.7F331 N339 V340 L341 E362 M364F331-V333 PolarHBondContact O-N 2.99Å; V333-N339 WeakPolarHBondContact O-CA 3.21Å; V333-V340 PolarHBondContact O-N 3.27Å; V333-L341 HydrophobicContact CB-CD2 4.46Å; V333-L341 HydrophobicContact CG1-CD1 4.15Å; V333-L341 HydrophobicContact CG1-CG 4.28Å; V333-L341 HydrophobicContact CG2-CD2 4.23Å; V333-E362 WeakPolarHBondContact CA-O 3.05Å; V333-E362 HydrophobicContact CB-CB 4.12Å; V333-E362 WeakPolarHBondContact CB-O 3.42Å; V333-E362 PolarHBondContact N-O 2.66Å; V333-M364 HydrophobicContact CG2-CB 4.09Å; V333-M364 HydrophobicContact CG2-CG 3.6Å; V333-M364 HydrophobicContact CG2-SD 3.58Å; V333-M364 VanDerWaalsContact CG2-SD 3.58Å
334S96.4Very high91.4Very high5 Ų542 Ų424%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-147.5155179.275.70000112.6L338 M361 E362S334-L338 CarbonylContact C-O 3.47Å; S334-L338 WeakPolarHBondContact CA-O 3.44Å; S334-L338 WeakPolarHBondContact CB-O 3.06Å; S334-M361 WeakPolarHBondContact O-CA 3.05Å; S334-E362 WeakPolarHBondContact CB-OE2 3.25Å; S334-E362 PolarHBondContact N-O 3.45Å; S334-E362 VanDerWaalsContact N-O 3.16Å; S334-E362 PolarHBondContact O-N 2.99Å; S334-E362 VanDerWaalsContact OG-CB 3.27Å; S334-E362 WeakPolarHBondContact OG-CB 3.39Å; S334-E362 VanDerWaalsContact OG-CD 3.29Å; S334-E362 WeakPolarHBondContact OG-CG 3.38Å; S334-E362 PolarHBondContact OG-OE2 3.49Å
335V94.7Very high90.5Very high0 Ų042 Ų420%025%0.246CC..EExtended strand (participates in β ladder)trans-129.7120.1173.5179.60000108V332 G337 L338 V340 V348 L351 I352 I359 M361V332-V335 HydrophobicContact CG1-CG2 3.92Å; V335-G337 PolarHBondContact O-N 3.25Å; V335-L338 PolarHBondContact N-O 3.49Å; V335-L338 WeakPolarHBondContact O-CB 3.29Å; V335-L338 PolarHBondContact O-N 3.44Å; V335-V340 HydrophobicContact CG2-CG1 4.42Å; V335-V340 HydrophobicContact CG2-CG2 4.22Å; V335-V348 HydrophobicContact CG2-CG1 4.1Å; V335-L351 HydrophobicContact CB-CD2 3.87Å; V335-L351 HydrophobicContact CG1-CD2 4.23Å; V335-L351 HydrophobicContact CG1-CG 4.35Å; V335-I352 HydrophobicContact CG1-CG1 3.69Å; V335-I352 HydrophobicContact CG2-CD1 4.27Å; V335-I352 HydrophobicContact CG2-CG1 4.14Å; V335-I359 HydrophobicContact CG1-CG2 3.86Å; V335-M361 HydrophobicContact CG2-CE 4.18Å; V335-M361 HydrophobicContact CG2-CG 4.48Å
336N91.3Very high89.5Confident57 Ų5748.5 Ų48.531%0.30526%0.26SS..THydrogen-bonded Turntrans50.940.1-177.3-62.6-29.1000113.1L338 I359 V360N336-L338 VanDerWaalsContact C-N 3.29Å; N336-L338 PolarHBondContact O-N 2.91Å; N336-I359 WeakPolarHBondContact OD1-CA 3.04Å; N336-V360 PolarHBondContact N-O 2.87Å; N336-V360 PolarHBondContact OD1-N 3.2Å
337G89.1Confident88.7Confident67 Ų6751.3 Ų51.369%0.69128%0.278SS*.THydrogen-bonded Turntrans82.8-5.4-179.500000115.2V335V335-G337 PolarHBondContact O-N 3.25Å
338L92.6Very high88.1Confident99 Ų9945.8 Ų45.852%0.51825%0.254SS..EExtended strand (participates in β ladder)trans-90123.3175-66.5168.3000110.4S334 V335 N336 V340 L351S334-L338 CarbonylContact C-O 3.47Å; S334-L338 WeakPolarHBondContact CA-O 3.44Å; S334-L338 WeakPolarHBondContact CB-O 3.06Å; V335-L338 PolarHBondContact N-O 3.49Å; V335-L338 WeakPolarHBondContact O-CB 3.29Å; V335-L338 PolarHBondContact O-N 3.44Å; N336-L338 VanDerWaalsContact C-N 3.29Å; N336-L338 PolarHBondContact O-N 2.91Å; L338-V340 PolarHBondContact O-N 2.65Å; L338-L351 HydrophobicContact CB-CD2 4.07Å; L338-L351 HydrophobicContact CD1-CD1 3.59Å; L338-L351 HydrophobicContact CD1-CD2 3.91Å; L338-L351 HydrophobicContact CD1-CG 4.37Å
339N95.1Very high87.6Confident92 Ų9243.2 Ų43.249%0.49224%0.239SC..EExtended strand (participates in β ladder)trans-66.3130.7175.8-173-49.5000110.6V333 L341V333-N339 WeakPolarHBondContact O-CA 3.21Å; N339-L341 PolarHBondContact OD1-N 3.04Å
340V94.9Very high86.8Confident2 Ų245.5 Ų45.51%0.01225%0.248CC..  trans-125.111.1-177.1-60.50000115.6V332 V333 V335 L338 C342 H343 V348 L351V332-V340 HydrophobicContact CB-CG2 4.18Å; V332-V340 HydrophobicContact CG1-CG2 3.55Å; V333-V340 PolarHBondContact O-N 3.27Å; V335-V340 HydrophobicContact CG2-CG1 4.42Å; V335-V340 HydrophobicContact CG2-CG2 4.22Å; L338-V340 PolarHBondContact O-N 2.65Å; V340-C342 PolarHBondContact O-N 3.42Å; V340-H343 HydrophobicContact CB-CB 4.3Å; V340-H343 PolarHBondContact O-N 3.06Å; V340-V348 HydrophobicContact CB-CG2 3.67Å; V340-V348 HydrophobicContact CG1-CG2 4.11Å; V340-V348 HydrophobicContact CG2-CG1 4.26Å; V340-V348 HydrophobicContact CG2-CG2 4.04Å; V340-L351 HydrophobicContact CG1-CD2 3.94Å
341L90.9Very high86Confident2 Ų247.6 Ų47.61%0.0126%0.259CS..THydrogen-bonded Turntrans-58.2-34.1-178.5-74.2172.6000113.3P276 L279 L280 P309 V333 N339P276-L341 HydrophobicContact CB-CB 4.3Å; L279-L341 HydrophobicContact CD1-CD2 3.74Å; L280-L341 HydrophobicContact CD1-CD1 3.7Å; L280-L341 HydrophobicContact CD2-CD1 3.88Å; L280-L341 HydrophobicContact CG-CD1 3.85Å; P309-L341 WeakPolarHBondContact CA-O 3.42Å; P309-L341 HydrophobicContact CB-CD2 4.05Å; V333-L341 HydrophobicContact CB-CD2 4.46Å; V333-L341 HydrophobicContact CG1-CD1 4.15Å; V333-L341 HydrophobicContact CG1-CG 4.28Å; V333-L341 HydrophobicContact CG2-CD2 4.23Å; N339-L341 PolarHBondContact OD1-N 3.04Å
342C88.6Confident85.5Confident76 Ų7647 Ų4751%0.51426%0.256SS..THydrogen-bonded Turntrans-95.74.7-178.8-62.60000113.6K308 V340K308-C342 VanDerWaalsContact CD-O 3.29Å; K308-C342 WeakPolarHBondContact CD-O 3.17Å; K308-C342 WeakPolarHBondContact CE-O 3.21Å; K308-C342 PolarHBondContact NZ-O 3.17Å; V340-C342 PolarHBondContact O-N 3.42Å
343H83.8Confident84.4Confident84 Ų8448.4 Ų48.439%0.38926%0.264SS..SBendtrans-103.1143.3-177.3-71.1-53.9000111.9S307 C310 V340 T347 V348S307-H343 CarbonylContact O-C 3.51Å; S307-H343 VanDerWaalsContact O-C 3.3Å; C310-H343 PolarHBondContact SG-O 3.19Å; V340-H343 HydrophobicContact CB-CB 4.3Å; V340-H343 PolarHBondContact O-N 3.06Å; H343-T347 HydrophobicContact CB-CG2 4.17Å; H343-V348 HydrophobicContact CB-CG2 3.95Å
344D74.3Confident83.2Confident57 Ų5753.2 Ų53.231%0.30529%0.293SS..  trans-74.5158.5176751.9000112.8S307 C310 R346 T347 V348S307-D344 WeakPolarHBondContact O-CA 3.23Å; S307-D344 PolarHBondContact O-N 2.83Å; C310-D344 VanDerWaalsContact SG-C 3.52Å; D344-R346 PolarHBondContact O-N 3.44Å; D344-R346 PolarHBondContact OD1-N 3.18Å; D344-T347 WeakPolarHBondContact O-CB 3.49Å; D344-T347 PolarHBondContact O-N 3.37Å; D344-T347 VanDerWaalsContact OD1-CB 3.3Å; D344-T347 WeakPolarHBondContact OD1-CB 3.35Å; D344-T347 PolarHBondContact OD1-N 2.82Å; D344-T347 PolarHBondContact OD1-OG1 3.25Å; D344-V348 WeakPolarHBondContact O-CG2 3.3Å; D344-V348 PolarHBondContact O-N 3.08Å
345Y75.8Confident82Confident54 Ų5454.4 Ų54.421%0.21231%0.306CS..Hα-helixtrans-59.2-23.9-176.278-77.3000112.9G306 C310 S349G306-Y345 VanDerWaalsContact O-CB 3.3Å; G306-Y345 WeakPolarHBondContact O-CB 3.42Å; G306-Y345 VanDerWaalsContact O-CD1 3.28Å; G306-Y345 WeakPolarHBondContact O-CD1 3.11Å; G306-Y345 PolarHBondContact O-N 3.34Å; C310-Y345 WeakPolarHBondContact SG-CA 3.41Å; C310-Y345 PolarHBondContact SG-N 3.22Å; Y345-S349 WeakPolarHBondContact O-CB 3.47Å; Y345-S349 PolarHBondContact O-N 3.01Å; Y345-S349 PolarHBondContact O-OG 2.93Å
346R72.4Confident81.3Confident169 Ų16958.1 Ų58.164%0.63833%0.33SS*.Hα-helixtrans-68-47.2176-63.2-177.5-178.2-179.12.3110.5D344 S349 N350D344-R346 PolarHBondContact O-N 3.44Å; D344-R346 PolarHBondContact OD1-N 3.18Å; R346-S349 PolarHBondContact O-N 3.17Å; R346-N350 WeakPolarHBondContact O-CB 3.47Å; R346-N350 PolarHBondContact O-N 3.42Å
347T76.9Confident80.8Confident67 Ų6762.5 Ų62.541%0.41134%0.342SS..Hα-helixtrans-63.8-47.4176.5-530000110.7H343 D344 S349 N350 L351H343-T347 HydrophobicContact CB-CG2 4.17Å; D344-T347 WeakPolarHBondContact O-CB 3.49Å; D344-T347 PolarHBondContact O-N 3.37Å; D344-T347 VanDerWaalsContact OD1-CB 3.3Å; D344-T347 WeakPolarHBondContact OD1-CB 3.35Å; D344-T347 PolarHBondContact OD1-N 2.82Å; D344-T347 PolarHBondContact OD1-OG1 3.25Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 3.46Å; T347-N350 PolarHBondContact O-N 3.04Å; T347-L351 PolarHBondContact O-N 3.24Å
348V78.9Confident80.7Confident0 Ų062.3 Ų62.30%033%0.328CS..Hα-helixtrans-62.1-42.7177.2-177.80000111.3V304 C310 V332 V335 V340 H343 D344 N350 L351 I352V304-V348 HydrophobicContact CG1-CG1 4.33Å; C310-V348 HydrophobicContact CB-CG2 4.45Å; V332-V348 HydrophobicContact CG1-CG1 4.47Å; V335-V348 HydrophobicContact CG2-CG1 4.1Å; V340-V348 HydrophobicContact CB-CG2 3.67Å; V340-V348 HydrophobicContact CG1-CG2 4.11Å; V340-V348 HydrophobicContact CG2-CG1 4.26Å; V340-V348 HydrophobicContact CG2-CG2 4.04Å; H343-V348 HydrophobicContact CB-CG2 3.95Å; D344-V348 WeakPolarHBondContact O-CG2 3.3Å; D344-V348 PolarHBondContact O-N 3.08Å; V348-N350 PolarHBondContact O-N 2.82Å; V348-L351 PolarHBondContact O-N 2.78Å; V348-I352 HydrophobicContact CG1-CD1 4.01Å; V348-I352 WeakPolarHBondContact O-CG1 3.46Å; V348-I352 PolarHBondContact O-N 2.78Å
349S76.4Confident80.7Confident9 Ų957.6 Ų57.66%0.06330%0.303CS..Hα-helixtrans-63.7-42.3176.8-63.70000111.7Y345 R346 T347 L351 I352 L353Y345-S349 WeakPolarHBondContact O-CB 3.47Å; Y345-S349 PolarHBondContact O-N 3.01Å; Y345-S349 PolarHBondContact O-OG 2.93Å; R346-S349 PolarHBondContact O-N 3.17Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 3.46Å; S349-L351 VanDerWaalsContact C-N 3.35Å; S349-I352 PolarHBondContact O-N 2.81Å; S349-L353 WeakPolarHBondContact O-CB 3.49Å; S349-L353 WeakPolarHBondContact O-CD1 3.42Å; S349-L353 WeakPolarHBondContact O-CG 3.4Å; S349-L353 PolarHBondContact O-N 2.83Å
350N70.9Confident80.6Confident98 Ų9856 Ų5652%0.52430%0.296SS..Hα-helixtrans-61.2-46.5177.9-167.727.2000110.8R346 T347 V348 I352 L353 T354R346-N350 WeakPolarHBondContact O-CB 3.47Å; R346-N350 PolarHBondContact O-N 3.42Å; T347-N350 PolarHBondContact O-N 3.04Å; V348-N350 PolarHBondContact O-N 2.82Å; N350-I352 VanDerWaalsContact C-N 3.31Å; N350-I352 PolarHBondContact O-N 3.08Å; N350-L353 PolarHBondContact O-N 3.42Å; N350-L353 VanDerWaalsContact O-N 3.08Å; N350-T354 WeakPolarHBondContact O-CG2 3Å; N350-T354 PolarHBondContact O-N 2.87Å; N350-T354 PolarHBondContact O-OG1 2.81Å; N350-T354 WeakPolarHBondContact OD1-CG2 3.5Å
351L77.7Confident80.7Confident45 Ų4555.9 Ų55.924%0.23630%0.296CS..Hα-helixtrans-57.5-42.9177.7-178.565000112.6V335 L338 V340 T347 V348 S349 G355V335-L351 HydrophobicContact CB-CD2 3.87Å; V335-L351 HydrophobicContact CG1-CD2 4.23Å; V335-L351 HydrophobicContact CG1-CG 4.35Å; L338-L351 HydrophobicContact CB-CD2 4.07Å; L338-L351 HydrophobicContact CD1-CD1 3.59Å; L338-L351 HydrophobicContact CD1-CD2 3.91Å; L338-L351 HydrophobicContact CD1-CG 4.37Å; V340-L351 HydrophobicContact CG1-CD2 3.94Å; T347-L351 PolarHBondContact O-N 3.24Å; V348-L351 PolarHBondContact O-N 2.78Å; S349-L351 VanDerWaalsContact C-N 3.35Å; L351-G355 PolarHBondContact O-N 2.87Å
352I82.8Confident81Confident0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-63.3-44.9175-73.6168000111.1L38 W300 F302 V304 V335 V348 S349 N350 G355 I359 M361L38-I352 HydrophobicContact CD2-CB 4.01Å; L38-I352 HydrophobicContact CD2-CG2 3.61Å; W300-I352 HydrophobicContact CE3-CG2 4.31Å; W300-I352 HydrophobicContact CZ3-CG2 4.19Å; F302-I352 HydrophobicContact CE2-CD1 4.13Å; F302-I352 HydrophobicContact CZ-CD1 4.15Å; V304-I352 HydrophobicContact CG2-CD1 4.25Å; V335-I352 HydrophobicContact CG1-CG1 3.69Å; V335-I352 HydrophobicContact CG2-CD1 4.27Å; V335-I352 HydrophobicContact CG2-CG1 4.14Å; V348-I352 HydrophobicContact CG1-CD1 4.01Å; V348-I352 WeakPolarHBondContact O-CG1 3.46Å; V348-I352 PolarHBondContact O-N 2.78Å; S349-I352 PolarHBondContact O-N 2.81Å; N350-I352 VanDerWaalsContact C-N 3.31Å; N350-I352 PolarHBondContact O-N 3.08Å; I352-G355 PolarHBondContact O-N 3.3Å; I352-I359 HydrophobicContact CB-CD1 4.4Å; I352-I359 HydrophobicContact CG1-CD1 4.49Å; I352-I359 HydrophobicContact CG2-CD1 3.57Å; I352-M361 HydrophobicContact CD1-CE 4.36Å
353L72.8Confident81.4Confident31 Ų3154.6 Ų54.616%0.16228%0.282CS..Hα-helixtrans-76.8-27.2-172.2-71.9166.5000114.6R35 H37 L38 W300 S349 N350R35-L353 PolarHBondContact NH1-O 3.02Å; H37-L353 WeakPolarHBondContact O-CD1 3.49Å; L38-L353 HydrophobicContact CB-CD2 4.49Å; L38-L353 HydrophobicContact CD2-CD1 3.92Å; L38-L353 HydrophobicContact CD2-CD2 3.88Å; L38-L353 HydrophobicContact CD2-CG 3.58Å; W300-L353 HydrophobicContact CZ3-CD2 4.36Å; S349-L353 WeakPolarHBondContact O-CB 3.49Å; S349-L353 WeakPolarHBondContact O-CD1 3.42Å; S349-L353 WeakPolarHBondContact O-CG 3.4Å; S349-L353 PolarHBondContact O-N 2.83Å; N350-L353 PolarHBondContact O-N 3.42Å; N350-L353 VanDerWaalsContact O-N 3.08Å
354T71.6Confident81.9Confident104 Ų10451.5 Ų51.564%0.63827%0.268SS*.Hα-helixtrans-92.3-8.9175.760.70000112.5N350N350-T354 WeakPolarHBondContact O-CG2 3Å; N350-T354 PolarHBondContact O-N 2.87Å; N350-T354 PolarHBondContact O-OG1 2.81Å; N350-T354 WeakPolarHBondContact OD1-CG2 3.5Å
355G71.7Confident82.7Confident29 Ų2950.2 Ų50.230%0.29926%0.26SS..SBendtrans-80179.1179.900000114.1L351 I352L351-G355 PolarHBondContact O-N 2.87Å; I352-G355 PolarHBondContact O-N 3.3Å
356P79.6Confident83.4Confident79 Ų7953.8 Ų53.851%0.51328%0.279SS..  trans-64.4159.4175.226.7-33.7000112.3T358P356-T358 WeakPolarHBondContact CG-O 3.33Å; P356-T358 PolarHBondContact O-N 3.04Å
357R79.4Confident83.9Confident149 Ų14947.4 Ų47.456%0.56226%0.262SS*.SBendtrans-63.4-24.8179.4-168.1173179131.6-3.9113.5G295 D296 W300G295-R357 PolarHBondContact N-O 3.39Å; G295-R357 PolarHBondContact O-NE 2.84Å; G295-R357 PolarHBondContact O-NH2 3.34Å; G295-R357 VanDerWaalsContact O-NH2 3.14Å; D296-R357 PolarHBondContact O-NH2 3.47Å; W300-R357 PolarHBondContact NE1-O 3.22Å
358T88.4Confident83.6Confident62 Ų6249.1 Ų49.138%0.3828%0.283SS..EExtended strand (participates in β ladder)trans-96.4123.9170.6-56.60000108.7T292 I293 V294 P356T292-T358 HydrophobicContact CG2-CG2 3.71Å; I293-T358 CarbonylContact O-C 3.5Å; I293-T358 WeakPolarHBondContact O-CA 3.37Å; V294-T358 HydrophobicContact CG2-CG2 4.16Å; P356-T358 WeakPolarHBondContact CG-O 3.33Å; P356-T358 PolarHBondContact O-N 3.04Å
359I92Very high82.3Confident0 Ų059.3 Ų59.30%035%0.345CS..EExtended strand (participates in β ladder)trans-113.5131.1179.7-55.3173.9000109.3T292 I293 W300 V335 N336 I352 M361T292-I359 CarbonylContact C-O 3.53Å; T292-I359 WeakPolarHBondContact CA-O 3.46Å; I293-I359 PolarHBondContact N-O 3.31Å; I293-I359 PolarHBondContact O-N 3.12Å; W300-I359 HydrophobicContact CD2-CD1 3.59Å; W300-I359 HydrophobicContact CE3-CD1 4.24Å; W300-I359 HydrophobicContact CG-CD1 3.86Å; W300-I359 HydrophobicContact CH2-CD1 4.31Å; W300-I359 HydrophobicContact CZ2-CD1 3.67Å; W300-I359 HydrophobicContact CZ2-CG1 4.07Å; V335-I359 HydrophobicContact CG1-CG2 3.86Å; N336-I359 WeakPolarHBondContact OD1-CA 3.04Å; I352-I359 HydrophobicContact CB-CD1 4.4Å; I352-I359 HydrophobicContact CG1-CD1 4.49Å; I352-I359 HydrophobicContact CG2-CD1 3.57Å; I359-M361 HydrophobicContact CG2-CG 3.44Å; I359-M361 VanDerWaalsContact CG2-CG 3.44Å; I359-M361 HydrophobicContact CG2-SD 4.16Å
360V94Very high82.6Confident58 Ų5861.9 Ų61.935%0.35236%0.359SS..EExtended strand (participates in β ladder)trans-98.9116165.9-176.80000108.1T290 F291 T292 N336T290-V360 HydrophobicContact CG2-CG1 3.87Å; F291-V360 CarbonylContact O-C 3.59Å; F291-V360 VanDerWaalsContact O-CA 3.31Å; F291-V360 WeakPolarHBondContact O-CA 3.34Å; T292-V360 HydrophobicContact CG2-CG2 4.41Å; N336-V360 PolarHBondContact N-O 2.87Å; N336-V360 PolarHBondContact OD1-N 3.2Å
361M96.4Very high83.2Confident0 Ų059.9 Ų59.90%035%0.351CS..EExtended strand (participates in β ladder)trans-116.8130.7178.4-64.1-173.565.500110.5T290 F291 I293 F302 I312 M326 V332 S334 V335 I352 I359 V363T290-M361 CarbonylContact C-O 3.47Å; T290-M361 WeakPolarHBondContact CA-O 3.37Å; F291-M361 PolarHBondContact N-O 2.83Å; F291-M361 PolarHBondContact O-N 3.32Å; I293-M361 HydrophobicContact CD1-SD 4.17Å; F302-M361 HydrophobicContact CE1-SD 4.11Å; F302-M361 HydrophobicContact CE2-CE 4.07Å; F302-M361 HydrophobicContact CE2-SD 3.86Å; F302-M361 HydrophobicContact CZ-CE 4.2Å; F302-M361 HydrophobicContact CZ-SD 3.39Å; F302-M361 WeakPolarHBondContact CZ-SD 3.07Å; I312-M361 HydrophobicContact CD1-CE 4.45Å; M326-M361 HydrophobicContact CE-SD 4.04Å; V332-M361 HydrophobicContact CB-CE 4.43Å; V332-M361 HydrophobicContact CG1-CE 3.57Å; V332-M361 HydrophobicContact CG2-CE 3.94Å; S334-M361 WeakPolarHBondContact O-CA 3.05Å; V335-M361 HydrophobicContact CG2-CE 4.18Å; V335-M361 HydrophobicContact CG2-CG 4.48Å; I352-M361 HydrophobicContact CD1-CE 4.36Å; I359-M361 HydrophobicContact CG2-CG 3.44Å; I359-M361 VanDerWaalsContact CG2-CG 3.44Å; I359-M361 HydrophobicContact CG2-SD 4.16Å; M361-V363 HydrophobicContact CB-CG1 4.45Å
362E96.8Very high83.5Confident52 Ų5260.8 Ų60.824%0.24336%0.357CS..EExtended strand (participates in β ladder)trans-94.4129161.7-61.3-179.9114.700108.8K288 K289 T290 V333 S334K288-E362 HydrophobicContact CD-CB 4.45Å; K288-E362 WeakPolarHBondContact CD-OE1 3.36Å; K288-E362 VanDerWaalsContact NZ-CD 3.33Å; K288-E362 IonicContact NZ-OE1 3.26Å; K288-E362 PolarHBondContact NZ-OE1 3.45Å; K288-E362 IonicContact NZ-OE2 3.81Å; K288-E362 PolarHBondContact NZ-OE2 3.19Å; K289-E362 CarbonylContact O-C 3.55Å; K289-E362 WeakPolarHBondContact O-CA 3.31Å; T290-E362 HydrophobicContact CG2-CG 4.34Å; V333-E362 WeakPolarHBondContact CA-O 3.05Å; V333-E362 HydrophobicContact CB-CB 4.12Å; V333-E362 WeakPolarHBondContact CB-O 3.42Å; V333-E362 PolarHBondContact N-O 2.66Å; S334-E362 WeakPolarHBondContact CB-OE2 3.25Å; S334-E362 PolarHBondContact N-O 3.45Å; S334-E362 VanDerWaalsContact N-O 3.16Å; S334-E362 PolarHBondContact O-N 2.99Å; S334-E362 VanDerWaalsContact OG-CB 3.27Å; S334-E362 WeakPolarHBondContact OG-CB 3.39Å; S334-E362 VanDerWaalsContact OG-CD 3.29Å; S334-E362 WeakPolarHBondContact OG-CG 3.38Å; S334-E362 PolarHBondContact OG-OE2 3.49Å
363V96.4Very high83.6Confident0 Ų064.4 Ų64.40%038%0.378CS..EExtended strand (participates in β ladder)trans-127.9161.6175.5-54.30000111K288 K289 F291 Q330 F331 M361K288-V363 CarbonylContact C-O 3.47Å; K288-V363 WeakPolarHBondContact CA-O 3.2Å; K289-V363 HydrophobicContact CB-CG2 4.15Å; K289-V363 PolarHBondContact N-O 2.92Å; K289-V363 PolarHBondContact O-N 3.16Å; F291-V363 HydrophobicContact CD2-CG2 3.84Å; F291-V363 HydrophobicContact CE2-CG2 3.46Å; F291-V363 VanDerWaalsContact CE2-CG2 3.46Å; Q330-V363 HydrophobicContact CB-CB 4.06Å; Q330-V363 HydrophobicContact CB-CG2 3.97Å; Q330-V363 HydrophobicContact CG-CG2 4.4Å; F331-V363 CarbonylContact O-C 3.51Å; F331-V363 WeakPolarHBondContact O-CA 3.46Å; F331-V363 VanDerWaalsContact O-CB 3.29Å; F331-V363 WeakPolarHBondContact O-CB 3.42Å; M361-V363 HydrophobicContact CB-CG1 4.45Å
364M94.4Very high84.2Confident18 Ų1866.4 Ų66.49%0.08939%0.392CS..EExtended strand (participates in β ladder)trans-122.7138.8174.4-83171.4136.900110.8L279 F286 I287 K288 Q330 F331 V333L279-M364 HydrophobicContact CB-SD 3.92Å; L279-M364 HydrophobicContact CD2-CB 4.13Å; L279-M364 WeakPolarHBondContact O-CE 3.43Å; L279-M364 VanDerWaalsContact O-SD 3.32Å; F286-M364 HydrophobicContact CB-CB 4.43Å; I287-M364 WeakPolarHBondContact O-CA 3.08Å; K288-M364 HydrophobicContact CB-CE 4.24Å; K288-M364 HydrophobicContact CB-CG 4.14Å; K288-M364 HydrophobicContact CG-CG 4.47Å; Q330-M364 CarbonylContact C-O 3.55Å; Q330-M364 WeakPolarHBondContact CA-O 3.46Å; F331-M364 PolarHBondContact N-O 3.42Å; F331-M364 PolarHBondContact O-N 3.01Å; V333-M364 HydrophobicContact CG2-CB 4.09Å; V333-M364 HydrophobicContact CG2-CG 3.6Å; V333-M364 HydrophobicContact CG2-SD 3.58Å; V333-M364 VanDerWaalsContact CG2-SD 3.58Å
365E92.6Very high85.1Confident31 Ų3163.9 Ų63.915%0.14538%0.375CS..EExtended strand (participates in β ladder)trans-134.5152.5174.972.5-177.7173.700110.8F286 I287 K289 Q330 A367F286-E365 CarbonylContact C-O 3.6Å; F286-E365 WeakPolarHBondContact CA-O 3.48Å; I287-E365 PolarHBondContact N-O 3.24Å; I287-E365 PolarHBondContact O-N 2.75Å; K289-E365 WeakPolarHBondContact CD-OE1 3.3Å; K289-E365 WeakPolarHBondContact CE-OE1 3.43Å; K289-E365 IonicContact NZ-OE1 2.84Å; K289-E365 PolarHBondContact NZ-OE1 2.94Å; Q330-E365 HydrophobicContact CG-CB 4.05Å; Q330-E365 PolarHBondContact NE2-OE2 3.35Å; E365-A367 PolarHBondContact O-N 2.64Å
366E88.7Confident86Confident128 Ų12866.4 Ų66.460%0.59838%0.381SS*.EExtended strand (participates in β ladder)trans-64.9133.4176.8-163.5167.2-162.800109.4P285 F286 A368P285-E366 CarbonylContact O-C 3.57Å; P285-E366 WeakPolarHBondContact O-CA 3.21Å; F286-E366 HydrophobicContact CD1-CB 4.31Å; F286-E366 HydrophobicContact CE1-CB 4.06Å; E366-A368 PolarHBondContact O-N 3.29Å
367A82.7Confident86.5Confident36 Ų3665.5 Ų65.530%0.29837%0.37SS..PPolyproline II helixtrans-59130175.500000108.8P285 I287 E365 V369P285-A367 WeakPolarHBondContact O-CB 3.27Å; P285-A367 PolarHBondContact O-N 2.84Å; I287-A367 HydrophobicContact CD1-CB 3.6Å; I287-A367 HydrophobicContact CG1-CB 3.74Å; E365-A367 PolarHBondContact O-N 2.64Å; A367-V369 PolarHBondContact O-N 3.28Å; A367-V369 VanDerWaalsContact O-N 3.17Å
368A70.7Confident87.1Confident103 Ų10358.5 Ų58.585%0.85135%0.354SS*.PPolyproline II helixtrans-64.7118.6168.800000107.8E366E366-A368 PolarHBondContact O-N 3.29Å
369V52.3Low87Confident214 Ų21458.2 Ų58.2100%1.29735%0.352SS*.  trans-68.50173.2-178.90000110.1A367A367-V369 PolarHBondContact O-N 3.28Å; A367-V369 VanDerWaalsContact O-N 3.17Å

Retrieved 369 of 369 residues in 1077.3 ms (Link to these results)

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