A0A096NGU8_PAPAN Loading...

Protein kinase cAMP-dependent type II regulatory subunit beta

Regulatory subunit of the cAMP-dependent protein kinases involved in cAMP signaling in cells. Type II regulatory chains mediate membrane association by binding to anchoring proteins, including the MAP2 kinase.

AlphaFold DB (A0A2K5P1E6), UniProt , Accession A0A096NGU8, Species PAPAN (Papio anubis, Olive baboon), Gene PRKAR2B, Length 421 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
1M47.2Very low71.7Confident238 Ų238118.9 Ų118.9100%1.17268%0.679SS**  0105.80-72-175.8-124.200107.2I3M1-I3 PolarHBondContact O-N 3.46Å
2S48.7Very low72.9Confident113 Ų113115 Ų11579%0.7965%0.654SS**  trans-77.5112.217243.30000107.9E4S2-E4 PolarHBondContact O-N 2.91Å
3I70Confident74.1Confident152 Ų152112.8 Ų112.878%0.77964%0.639SS**  trans-80.6111.8175.6-60.3171.8000106.8M1M1-I3 PolarHBondContact O-N 3.46Å
4E70.5Confident75.1Confident176 Ų176114.1 Ų114.182%0.82264%0.637SS**PPolyproline II helixtrans-78120.6171.1-69.4-175.4169.200108.9S2 P6S2-E4 PolarHBondContact O-N 2.91Å; E4-P6 WeakPolarHBondContact O-CD 3.04Å
5I72.8Confident75.8Confident122 Ų122108.8 Ų108.863%0.62662%0.618SS**PPolyproline II helixtrans-81.6123.2177.9-60.9175.3000107.9A7 L9I5-A7 PolarHBondContact O-N 3.3Å; I5-L9 HydrophobicContact CG2-CB 4.43Å; I5-L9 HydrophobicContact CG2-CD2 4.25Å
6P79.8Confident76.7Confident87 Ų87104.1 Ų104.157%0.56559%0.589SS**PPolyproline II helixtrans-59.3135.8176.3-23.733.8000111.8E4 G8 L9E4-P6 WeakPolarHBondContact O-CD 3.04Å; P6-G8 PolarHBondContact O-N 2.77Å; P6-L9 WeakPolarHBondContact O-CB 3.27Å; P6-L9 PolarHBondContact O-N 2.92Å
7A71.3Confident77.4Confident109 Ų109102.3 Ų102.390%0.90158%0.58SS**THydrogen-bonded Turntrans-59.7130.5174.300000110.4I5I5-A7 PolarHBondContact O-N 3.3Å
8G77.8Confident78.1Confident36 Ų3699.8 Ų99.837%0.37157%0.567SS.*THydrogen-bonded Turntrans94.5-11.7-17900000115.3P6 T10 E11 L12P6-G8 PolarHBondContact O-N 2.77Å; G8-T10 VanDerWaalsContact C-N 3.35Å; G8-E11 WeakPolarHBondContact CA-OE2 3.43Å; G8-E11 PolarHBondContact N-OE2 3.48Å; G8-L12 WeakPolarHBondContact O-CB 3.49Å; G8-L12 PolarHBondContact O-N 3.35Å
9L81.6Confident78.6Confident70 Ų7096.9 Ų96.937%0.36655%0.549SS..Hα-helixtrans-66-39.7178.6-179.562.4000111.6I5 P6 L12 L13I5-L9 HydrophobicContact CG2-CB 4.43Å; I5-L9 HydrophobicContact CG2-CD2 4.25Å; P6-L9 WeakPolarHBondContact O-CB 3.27Å; P6-L9 PolarHBondContact O-N 2.92Å; L9-L12 PolarHBondContact O-N 3.37Å; L9-L13 HydrophobicContact CD1-CD1 4.01Å; L9-L13 HydrophobicContact CD1-CG 4.2Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.7Å
10T83.7Confident79.2Confident84 Ų8493.5 Ų93.552%0.51553%0.529SS..Hα-helixtrans-61.4-46.3177.728.50000111.9G8 Q14G8-T10 VanDerWaalsContact C-N 3.35Å; T10-Q14 WeakPolarHBondContact O-CB 3.47Å; T10-Q14 PolarHBondContact O-N 2.84Å
11E85.2Confident79.7Confident121 Ų12195.1 Ų95.157%0.56554%0.536SS*.Hα-helixtrans-68.7-39.4-179.3-65.579.9178.100111.4G8 G15G8-E11 WeakPolarHBondContact CA-OE2 3.43Å; G8-E11 PolarHBondContact N-OE2 3.48Å; E11-G15 PolarHBondContact O-N 2.82Å
12L86.5Confident81.6Confident72 Ų7292.1 Ų92.138%0.37751%0.512SS..Hα-helixtrans-60.5-51.6176-175.984.4000111.5G8 L9 G15 F16 F36 L39G8-L12 WeakPolarHBondContact O-CB 3.49Å; G8-L12 PolarHBondContact O-N 3.35Å; L9-L12 PolarHBondContact O-N 3.37Å; L12-G15 PolarHBondContact O-N 3.26Å; L12-F16 PolarHBondContact O-N 3.4Å; L12-F16 VanDerWaalsContact O-N 3.11Å; L12-F36 HydrophobicContact CD1-CD1 4.37Å; L12-F36 HydrophobicContact CD1-CE1 3.98Å; L12-F36 HydrophobicContact CD2-CE1 4.06Å; L12-F36 HydrophobicContact CG-CE1 3.83Å; L12-L39 HydrophobicContact CD1-CD2 3.61Å
13L88.7Confident83.3Confident86 Ų8692.5 Ų92.545%0.4550%0.501SS..Hα-helixtrans-69.6-35.7-179.1-68.8175.3000111.8L9 F16 T17L9-L13 HydrophobicContact CD1-CD1 4.01Å; L9-L13 HydrophobicContact CD1-CG 4.2Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.7Å; L13-F16 PolarHBondContact O-N 2.85Å; L13-T17 WeakPolarHBondContact O-CB 3.14Å; L13-T17 PolarHBondContact O-N 3.42Å; L13-T17 PolarHBondContact O-OG1 3.29Å
14Q88.1Confident84.1Confident132 Ų13293.2 Ų93.262%0.61750%0.501SS*.Hα-helixtrans-64.4-42.1174.7-170.6174.97.900111.3T10 T17 V18T10-Q14 WeakPolarHBondContact O-CB 3.47Å; T10-Q14 PolarHBondContact O-N 2.84Å; Q14-T17 PolarHBondContact O-N 2.69Å; Q14-V18 WeakPolarHBondContact O-CG2 3.32Å; Q14-V18 PolarHBondContact O-N 3.06Å
15G85.1Confident84.8Confident34 Ų3486.4 Ų86.435%0.35147%0.472SS..Hα-helixtrans-60.5-46.6175.100000112.8E11 L12 T17 V18 E19E11-G15 PolarHBondContact O-N 2.82Å; L12-G15 PolarHBondContact O-N 3.26Å; G15-T17 PolarHBondContact O-N 2.99Å; G15-V18 PolarHBondContact O-N 3.34Å; G15-E19 PolarHBondContact O-N 2.73Å; G15-E19 VanDerWaalsContact O-N 3.17Å
16F90.9Very high85.1Confident34 Ų3486.2 Ų86.215%0.14949%0.489CS..Hα-helixtrans-60.1-44.7174.4175.3-110.7000112.2L12 L13 V18 E19 V20 F31 A32 H35 F36L12-F16 PolarHBondContact O-N 3.4Å; L12-F16 VanDerWaalsContact O-N 3.11Å; L13-F16 PolarHBondContact O-N 2.85Å; F16-V18 VanDerWaalsContact C-N 3.33Å; F16-V18 PolarHBondContact O-N 2.88Å; F16-E19 PolarHBondContact O-N 3.28Å; F16-E19 VanDerWaalsContact O-N 3.14Å; F16-V20 HydrophobicContact CD1-CG2 4.24Å; F16-V20 HydrophobicContact CD2-CG2 4.24Å; F16-V20 HydrophobicContact CE1-CG2 3.73Å; F16-V20 HydrophobicContact CE2-CG2 3.72Å; F16-V20 HydrophobicContact CG-CG2 4.48Å; F16-V20 HydrophobicContact CZ-CG2 3.44Å; F16-V20 VanDerWaalsContact CZ-CG2 3.44Å; F16-V20 WeakPolarHBondContact O-CG2 3.41Å; F16-V20 PolarHBondContact O-N 2.81Å; F16-F31 HydrophobicContact CD2-CD1 4.44Å; F16-F31 HydrophobicContact CD2-CE1 4.48Å; F16-F31 AromaticContact CE2-CD1 3.58Å; F16-F31 HydrophobicContact CE2-CD1 3.58Å; F16-F31 HydrophobicContact CE2-CE1 4.02Å; F16-F31 HydrophobicContact CZ-CD1 4.17Å; F16-A32 HydrophobicContact CE1-CB 4.45Å; F16-A32 VanDerWaalsContact CE2-CA 3.42Å; F16-A32 HydrophobicContact CE2-CB 3.78Å; F16-A32 HydrophobicContact CZ-CB 3.61Å; F16-H35 HydrophobicContact CD2-CB 4.08Å; F16-H35 AromaticContact CD2-CG 3.81Å; F16-H35 AromaticContact CD2-ND1 3.71Å; F16-H35 HydrophobicContact CE2-CB 4.26Å; F16-F36 HydrophobicContact CB-CE1 4.4Å; F16-F36 HydrophobicContact CB-CZ 3.88Å; F16-F36 HydrophobicContact CD2-CE2 4.21Å; F16-F36 HydrophobicContact CD2-CZ 4.21Å; F16-F36 HydrophobicContact CG-CE2 4.26Å; F16-F36 AromaticContact CG-CZ 3.95Å; F16-F36 HydrophobicContact CG-CZ 3.95Å
17T88.8Confident85.6Confident73 Ų7386 Ų8645%0.44848%0.483SS..Hα-helixtrans-61.9-40.7179.9-55.90000111.7L13 Q14 G15 E19 V20 L21L13-T17 WeakPolarHBondContact O-CB 3.14Å; L13-T17 PolarHBondContact O-N 3.42Å; L13-T17 PolarHBondContact O-OG1 3.29Å; Q14-T17 PolarHBondContact O-N 2.69Å; G15-T17 PolarHBondContact O-N 2.99Å; T17-E19 VanDerWaalsContact C-N 3.32Å; T17-E19 PolarHBondContact O-N 3.33Å; T17-V20 PolarHBondContact O-N 2.98Å; T17-L21 HydrophobicContact CG2-CD1 4.2Å; T17-L21 WeakPolarHBondContact O-CB 2.94Å; T17-L21 VanDerWaalsContact O-CG 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.5Å; T17-L21 PolarHBondContact O-N 3.31Å
18V89.8Confident86.4Confident57 Ų5785.6 Ų85.635%0.34547%0.465SS..Hα-helixtrans-61.4-42175.1169.30000111.1Q14 G15 F16 L21 R22Q14-V18 WeakPolarHBondContact O-CG2 3.32Å; Q14-V18 PolarHBondContact O-N 3.06Å; G15-V18 PolarHBondContact O-N 3.34Å; F16-V18 VanDerWaalsContact C-N 3.33Å; F16-V18 PolarHBondContact O-N 2.88Å; V18-L21 PolarHBondContact O-N 2.91Å; V18-R22 WeakPolarHBondContact O-CG 3.41Å; V18-R22 PolarHBondContact O-N 3.33Å
19E87.6Confident86.7Confident46 Ų4690.1 Ų90.122%0.21548%0.48CS..Hα-helixtrans-70.8-35.3179.8-76.5-55.814300113.1G15 F16 T17 R22 H23 F31G15-E19 PolarHBondContact O-N 2.73Å; G15-E19 VanDerWaalsContact O-N 3.17Å; F16-E19 PolarHBondContact O-N 3.28Å; F16-E19 VanDerWaalsContact O-N 3.14Å; T17-E19 VanDerWaalsContact C-N 3.32Å; T17-E19 PolarHBondContact O-N 3.33Å; E19-R22 PolarHBondContact O-N 3.46Å; E19-R22 IonicContact OE1-CZ 3.99Å; E19-R22 IonicContact OE1-NH1 3.64Å; E19-R22 PolarHBondContact OE1-NH1 2.8Å; E19-H23 WeakPolarHBondContact O-CB 3.38Å; E19-H23 PolarHBondContact O-N 3.41Å; E19-H23 PolarHBondContact O-ND1 2.89Å; E19-H23 IonicContact OE2-CE1 3.83Å; E19-H23 PolarHBondContact OE2-CE1 2.8Å; E19-H23 IonicContact OE2-ND1 2.71Å; E19-H23 PolarHBondContact OE2-ND1 2.85Å; E19-F31 HydrophobicContact CB-CE1 4.08Å; E19-F31 HydrophobicContact CB-CZ 4.06Å
20V91Very high86.8Confident27 Ų2789.5 Ų89.516%0.16448%0.475CS..Hα-helixtrans-62.2-45.3170.4169.90000111F16 T17 R22 Q24 P25 L28 F31F16-V20 HydrophobicContact CD1-CG2 4.24Å; F16-V20 HydrophobicContact CD2-CG2 4.24Å; F16-V20 HydrophobicContact CE1-CG2 3.73Å; F16-V20 HydrophobicContact CE2-CG2 3.72Å; F16-V20 HydrophobicContact CG-CG2 4.48Å; F16-V20 HydrophobicContact CZ-CG2 3.44Å; F16-V20 VanDerWaalsContact CZ-CG2 3.44Å; F16-V20 WeakPolarHBondContact O-CG2 3.41Å; F16-V20 PolarHBondContact O-N 2.81Å; T17-V20 PolarHBondContact O-N 2.98Å; V20-R22 VanDerWaalsContact C-N 3.29Å; V20-R22 PolarHBondContact O-N 2.81Å; V20-Q24 WeakPolarHBondContact O-CA 3.38Å; V20-Q24 PolarHBondContact O-N 2.84Å; V20-P25 HydrophobicContact CG1-CG 4.49Å; V20-P25 WeakPolarHBondContact O-CD 3.29Å; V20-L28 HydrophobicContact CB-CD2 4.45Å; V20-L28 HydrophobicContact CG1-CD2 3.44Å; V20-L28 VanDerWaalsContact CG1-CD2 3.44Å; V20-L28 HydrophobicContact CG2-CD2 4.09Å; V20-F31 HydrophobicContact CB-CE1 4.47Å; V20-F31 HydrophobicContact CG2-CD1 3.65Å; V20-F31 HydrophobicContact CG2-CE1 3.7Å
21L88.8Confident87.1Confident129 Ų12987 Ų8768%0.67546%0.457SS*.Hα-helixtrans-66-31.3179.1-71.4173.1000112.7T17 V18T17-L21 HydrophobicContact CG2-CD1 4.2Å; T17-L21 WeakPolarHBondContact O-CB 2.94Å; T17-L21 VanDerWaalsContact O-CG 3.29Å; T17-L21 WeakPolarHBondContact O-CG 3.5Å; T17-L21 PolarHBondContact O-N 3.31Å; V18-L21 PolarHBondContact O-N 2.91Å
22R86.1Confident87.3Confident175 Ų17582.2 Ų82.266%0.6644%0.439SS*.Hα-helixtrans-75.1-43.9176.8-78.1174.4174.8174.9-3.2113.2V18 E19 V20V18-R22 WeakPolarHBondContact O-CG 3.41Å; V18-R22 PolarHBondContact O-N 3.33Å; E19-R22 PolarHBondContact O-N 3.46Å; E19-R22 IonicContact OE1-CZ 3.99Å; E19-R22 IonicContact OE1-NH1 3.64Å; E19-R22 PolarHBondContact OE1-NH1 2.8Å; V20-R22 VanDerWaalsContact C-N 3.29Å; V20-R22 PolarHBondContact O-N 2.81Å
23H84.8Confident87.3Confident120 Ų12084.3 Ų84.356%0.55645%0.45SS*.Hα-helixtrans-96.8-13.9-170.6-7182.3000113.7E19 P25 F31E19-H23 WeakPolarHBondContact O-CB 3.38Å; E19-H23 PolarHBondContact O-N 3.41Å; E19-H23 PolarHBondContact O-ND1 2.89Å; E19-H23 IonicContact OE2-CE1 3.83Å; E19-H23 PolarHBondContact OE2-CE1 2.8Å; E19-H23 IonicContact OE2-ND1 2.71Å; E19-H23 PolarHBondContact OE2-ND1 2.85Å; H23-P25 VanDerWaalsContact C-N 3.35Å; H23-F31 HydrophobicContact CB-CE2 4.07Å; H23-F31 HydrophobicContact CB-CZ 4.1Å
24Q86.6Confident87.2Confident167 Ų16784.2 Ų84.278%0.7845%0.447SS*.  trans42.155.4-179.3-62.3-171.4-35.600113V20V20-Q24 WeakPolarHBondContact O-CA 3.38Å; V20-Q24 PolarHBondContact O-N 2.84Å
25P85.1Confident87.1Confident33 Ų3379.3 Ų79.321%0.21442%0.424CS..  trans-66.7141.8-176.530.5-36.4000111V20 H23 D27 L28 F31V20-P25 HydrophobicContact CG1-CG 4.49Å; V20-P25 WeakPolarHBondContact O-CD 3.29Å; H23-P25 VanDerWaalsContact C-N 3.35Å; P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 PolarHBondContact O-N 2.85Å; P25-L28 HydrophobicContact CG-CD2 4.16Å; P25-F31 HydrophobicContact CB-CB 3.87Å; P25-F31 HydrophobicContact CB-CD2 3.86Å; P25-F31 HydrophobicContact CB-CG 3.88Å; P25-F31 HydrophobicContact CG-CB 3.82Å; P25-F31 HydrophobicContact CG-CD1 3.87Å; P25-F31 HydrophobicContact CG-CD2 3.96Å; P25-F31 HydrophobicContact CG-CE1 4.42Å; P25-F31 HydrophobicContact CG-CE2 4.48Å; P25-F31 HydrophobicContact CG-CG 3.61Å
26A80.6Confident87.4Confident118 Ų11880.9 Ų80.998%0.97542%0.421SS*.SBendtrans-70-27177.100000113
27D89.4Confident87.3Confident83 Ų8382.5 Ų82.544%0.44443%0.434SS..  trans-121.3111.7175.3-172.9-25.9000110.2P25 L29 E30 F31P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 PolarHBondContact O-N 2.85Å; D27-L29 WeakPolarHBondContact OD1-CB 3.47Å; D27-L29 PolarHBondContact OD1-N 3.23Å; D27-E30 HydrophobicContact CB-CB 4.2Å; D27-E30 PolarHBondContact OD1-N 3.09Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å; D27-F31 VanDerWaalsContact O-CB 3.31Å; D27-F31 WeakPolarHBondContact O-CB 3.46Å; D27-F31 PolarHBondContact O-N 3.31Å
28L88.1Confident87.2Confident100 Ų10086.2 Ų86.252%0.52444%0.44SS..Hα-helixtrans-74.1-31.8-178.3-68.9172000113.1V20 P25 A32V20-L28 HydrophobicContact CB-CD2 4.45Å; V20-L28 HydrophobicContact CG1-CD2 3.44Å; V20-L28 VanDerWaalsContact CG1-CD2 3.44Å; V20-L28 HydrophobicContact CG2-CD2 4.09Å; P25-L28 HydrophobicContact CG-CD2 4.16Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.46Å
29L85.5Confident87Confident131 Ų13186.1 Ų86.169%0.68644%0.437SS*.Hα-helixtrans-72.5-46-176.1-17183.5000109.9D27 A32 L33D27-L29 WeakPolarHBondContact OD1-CB 3.47Å; D27-L29 PolarHBondContact OD1-N 3.23Å; L29-A32 WeakPolarHBondContact O-CB 3.26Å; L29-A32 PolarHBondContact O-N 3.42Å; L29-L33 PolarHBondContact O-N 3.49Å
30E83.5Confident86.8Confident58 Ų5889.5 Ų89.527%0.27145%0.453SS..Hα-helixtrans-65.2-41.5176.6178.1161.1-139.200112.2D27 A32 L33 Q34 R111D27-E30 HydrophobicContact CB-CB 4.2Å; D27-E30 PolarHBondContact OD1-N 3.09Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 2.93Å; E30-L33 PolarHBondContact O-N 3.12Å; E30-Q34 WeakPolarHBondContact O-CG 3.43Å; E30-Q34 PolarHBondContact O-N 2.92Å; E30-R111 IonicContact OE1-CZ 2.69Å; E30-R111 IonicContact OE1-NH1 2.72Å; E30-R111 PolarHBondContact OE1-NH1 3.15Å; E30-R111 IonicContact OE1-NH2 2.61Å; E30-R111 PolarHBondContact OE1-NH2 2.91Å; E30-R111 IonicContact OE2-CZ 2.69Å; E30-R111 IonicContact OE2-NH2 2.93Å; E30-R111 PolarHBondContact OE2-NH2 2.91Å
31F89.4Confident86.5Confident31 Ų3193.9 Ų93.914%0.13647%0.471CS..Hα-helixtrans-62.4-38.5175.4-172.8-100.9000111.6F16 E19 V20 H23 P25 D27 Q34 H35F16-F31 HydrophobicContact CD2-CD1 4.44Å; F16-F31 HydrophobicContact CD2-CE1 4.48Å; F16-F31 AromaticContact CE2-CD1 3.58Å; F16-F31 HydrophobicContact CE2-CD1 3.58Å; F16-F31 HydrophobicContact CE2-CE1 4.02Å; F16-F31 HydrophobicContact CZ-CD1 4.17Å; E19-F31 HydrophobicContact CB-CE1 4.08Å; E19-F31 HydrophobicContact CB-CZ 4.06Å; V20-F31 HydrophobicContact CB-CE1 4.47Å; V20-F31 HydrophobicContact CG2-CD1 3.65Å; V20-F31 HydrophobicContact CG2-CE1 3.7Å; H23-F31 HydrophobicContact CB-CE2 4.07Å; H23-F31 HydrophobicContact CB-CZ 4.1Å; P25-F31 HydrophobicContact CB-CB 3.87Å; P25-F31 HydrophobicContact CB-CD2 3.86Å; P25-F31 HydrophobicContact CB-CG 3.88Å; P25-F31 HydrophobicContact CG-CB 3.82Å; P25-F31 HydrophobicContact CG-CD1 3.87Å; P25-F31 HydrophobicContact CG-CD2 3.96Å; P25-F31 HydrophobicContact CG-CE1 4.42Å; P25-F31 HydrophobicContact CG-CE2 4.48Å; P25-F31 HydrophobicContact CG-CG 3.61Å; D27-F31 VanDerWaalsContact O-CB 3.31Å; D27-F31 WeakPolarHBondContact O-CB 3.46Å; D27-F31 PolarHBondContact O-N 3.31Å; F31-Q34 PolarHBondContact O-N 3.05Å; F31-H35 WeakPolarHBondContact O-CB 3.17Å; F31-H35 PolarHBondContact O-N 2.84Å
32A88.5Confident86Confident21 Ų2192 Ų9217%0.17446%0.459CS..Hα-helixtrans-60.1-48.6173.700000112.1F16 L28 L29 E30 Q34 H35 F36F16-A32 HydrophobicContact CE1-CB 4.45Å; F16-A32 VanDerWaalsContact CE2-CA 3.42Å; F16-A32 HydrophobicContact CE2-CB 3.78Å; F16-A32 HydrophobicContact CZ-CB 3.61Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.46Å; L29-A32 WeakPolarHBondContact O-CB 3.26Å; L29-A32 PolarHBondContact O-N 3.42Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 2.93Å; A32-Q34 PolarHBondContact O-N 3.17Å; A32-H35 PolarHBondContact O-N 3.21Å; A32-F36 HydrophobicContact CB-CD2 4.25Å; A32-F36 HydrophobicContact CB-CE2 4.19Å; A32-F36 WeakPolarHBondContact O-CB 3.42Å; A32-F36 WeakPolarHBondContact O-CD2 3.48Å; A32-F36 PolarHBondContact O-N 3.4Å
33L87.3Confident85.6Confident116 Ų11688.4 Ų88.461%0.60745%0.453SS*.Hα-helixtrans-56.8-51.6177.7-71170.2000111.1L29 E30 H35 F36 T37L29-L33 PolarHBondContact O-N 3.49Å; E30-L33 PolarHBondContact O-N 3.12Å; L33-H35 PolarHBondContact O-N 2.92Å; L33-F36 PolarHBondContact O-N 3.4Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 PolarHBondContact O-N 3.14Å; L33-T37 PolarHBondContact O-OG1 2.8Å
34Q86.4Confident85.2Confident84 Ų8488.2 Ų88.239%0.39345%0.452SS..Hα-helixtrans-63.4-41.9-179.9-67.4179.71200112.8E30 F31 A32 R38E30-Q34 WeakPolarHBondContact O-CG 3.43Å; E30-Q34 PolarHBondContact O-N 2.92Å; F31-Q34 PolarHBondContact O-N 3.05Å; A32-Q34 PolarHBondContact O-N 3.17Å; Q34-R38 WeakPolarHBondContact O-CB 3.39Å; Q34-R38 PolarHBondContact O-N 3.31Å
35H86.9Confident84.5Confident28 Ų2889.9 Ų89.913%0.1345%0.451CS..Hα-helixtrans-63.5-49.5179.9179.1-85.9000111.1F16 F31 A32 L33 R38 L39F16-H35 HydrophobicContact CD2-CB 4.08Å; F16-H35 AromaticContact CD2-CG 3.81Å; F16-H35 AromaticContact CD2-ND1 3.71Å; F16-H35 HydrophobicContact CE2-CB 4.26Å; F31-H35 WeakPolarHBondContact O-CB 3.17Å; F31-H35 PolarHBondContact O-N 2.84Å; A32-H35 PolarHBondContact O-N 3.21Å; L33-H35 PolarHBondContact O-N 2.92Å; H35-R38 PolarHBondContact O-N 2.83Å; H35-L39 WeakPolarHBondContact O-CB 3.3Å; H35-L39 PolarHBondContact O-N 3.42Å
36F90.3Very high83.7Confident68 Ų6894.1 Ų94.130%0.29847%0.467SS..Hα-helixtrans-70.8-35.5-179.6-68.8-58.3000112.8L12 F16 A32 L33 L39 Q40L12-F36 HydrophobicContact CD1-CD1 4.37Å; L12-F36 HydrophobicContact CD1-CE1 3.98Å; L12-F36 HydrophobicContact CD2-CE1 4.06Å; L12-F36 HydrophobicContact CG-CE1 3.83Å; F16-F36 HydrophobicContact CB-CE1 4.4Å; F16-F36 HydrophobicContact CB-CZ 3.88Å; F16-F36 HydrophobicContact CD2-CE2 4.21Å; F16-F36 HydrophobicContact CD2-CZ 4.21Å; F16-F36 HydrophobicContact CG-CE2 4.26Å; F16-F36 AromaticContact CG-CZ 3.95Å; F16-F36 HydrophobicContact CG-CZ 3.95Å; A32-F36 HydrophobicContact CB-CD2 4.25Å; A32-F36 HydrophobicContact CB-CE2 4.19Å; A32-F36 WeakPolarHBondContact O-CB 3.42Å; A32-F36 WeakPolarHBondContact O-CD2 3.48Å; A32-F36 PolarHBondContact O-N 3.4Å; L33-F36 PolarHBondContact O-N 3.4Å; F36-L39 HydrophobicContact CD1-CD2 4.35Å; F36-L39 PolarHBondContact O-N 3.09Å; F36-Q40 WeakPolarHBondContact O-CB 3.27Å; F36-Q40 PolarHBondContact O-N 3.01Å
37T88.4Confident82.4Confident68 Ų6890.7 Ų90.742%0.41744%0.442SS..Hα-helixtrans-62.4-42.7172.3-58.80000111.7L33 Q40 Q41L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 PolarHBondContact O-N 3.14Å; L33-T37 PolarHBondContact O-OG1 2.8Å; T37-Q40 PolarHBondContact O-N 3.32Å; T37-Q41 WeakPolarHBondContact O-CG 3.45Å; T37-Q41 PolarHBondContact O-N 2.96Å
38R86.3Confident80.5Confident151 Ų15191.8 Ų91.857%0.5745%0.452SS*.Hα-helixtrans-64.4-44175.9-172.4-174.1-58.2152.35.1111.6Q34 H35 Q40 Q41 E42Q34-R38 WeakPolarHBondContact O-CB 3.39Å; Q34-R38 PolarHBondContact O-N 3.31Å; H35-R38 PolarHBondContact O-N 2.83Å; R38-Q40 VanDerWaalsContact C-N 3.29Å; R38-Q40 PolarHBondContact O-N 3.22Å; R38-Q41 PolarHBondContact O-N 2.96Å; R38-E42 PolarHBondContact O-N 3.31Å
39L86.6Confident78.5Confident55 Ų5591.1 Ų91.129%0.28846%0.461SS..Hα-helixtrans-62.8-37.8178.8-166.370.6000111.6L12 H35 F36 E42 N43L12-L39 HydrophobicContact CD1-CD2 3.61Å; H35-L39 WeakPolarHBondContact O-CB 3.3Å; H35-L39 PolarHBondContact O-N 3.42Å; F36-L39 HydrophobicContact CD1-CD2 4.35Å; F36-L39 PolarHBondContact O-N 3.09Å; L39-E42 PolarHBondContact O-N 3.43Å; L39-N43 PolarHBondContact O-N 2.97Å
40Q83.8Confident76.5Confident116 Ų11695.9 Ų95.954%0.54247%0.47SS..Hα-helixtrans-63.4-49.7174.3-175.8178.4300111.7F36 T37 R38 E42 N43 E44F36-Q40 WeakPolarHBondContact O-CB 3.27Å; F36-Q40 PolarHBondContact O-N 3.01Å; T37-Q40 PolarHBondContact O-N 3.32Å; R38-Q40 VanDerWaalsContact C-N 3.29Å; R38-Q40 PolarHBondContact O-N 3.22Å; Q40-E42 VanDerWaalsContact C-N 3.29Å; Q40-E42 PolarHBondContact O-N 3.24Å; Q40-N43 PolarHBondContact O-N 3.29Å; Q40-E44 PolarHBondContact NE2-OE1 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.34Å; Q40-E44 PolarHBondContact O-N 3.02Å
41Q83.6Confident74.2Confident120 Ų120102.9 Ų102.956%0.56150%0.5SS*.Hα-helixtrans-60.4-37.9177.7-71.3175.56.200112.3T37 R38 E44 R45T37-Q41 WeakPolarHBondContact O-CG 3.45Å; T37-Q41 PolarHBondContact O-N 2.96Å; R38-Q41 PolarHBondContact O-N 2.96Å; Q41-E44 PolarHBondContact O-N 2.81Å; Q41-R45 WeakPolarHBondContact O-CB 3.2Å; Q41-R45 PolarHBondContact O-N 2.74Å
42E80.1Confident71.6Confident89 Ų89104.7 Ų104.742%0.41653%0.527SS..Hα-helixtrans-68.5-37.4177.8-157.8-173.315400112.1R38 L39 Q40 R45 K46R38-E42 PolarHBondContact O-N 3.31Å; L39-E42 PolarHBondContact O-N 3.43Å; Q40-E42 VanDerWaalsContact C-N 3.29Å; Q40-E42 PolarHBondContact O-N 3.24Å; E42-R45 PolarHBondContact O-N 3.46Å; E42-K46 WeakPolarHBondContact O-CG 3.48Å; E42-K46 PolarHBondContact O-N 3.45Å; E42-K46 WeakPolarHBondContact OE1-CE 3.48Å; E42-K46 IonicContact OE1-NZ 2.66Å; E42-K46 PolarHBondContact OE1-NZ 2.82Å
43N77.2Confident69.1Low100 Ų100112.5 Ų112.554%0.53556%0.56SS.*Hα-helixtrans-67.2-39.9173.9-82.7-11.8000112.2L39 Q40 R45 K46 G47L39-N43 PolarHBondContact O-N 2.97Å; Q40-N43 PolarHBondContact O-N 3.29Å; N43-R45 VanDerWaalsContact C-N 3.32Å; N43-R45 PolarHBondContact O-N 3.39Å; N43-K46 PolarHBondContact O-N 3.49Å; N43-G47 PolarHBondContact O-N 3.17Å
44E76.1Confident66.3Low116 Ų116116.3 Ų116.354%0.54258%0.575SS.*Hα-helixtrans-62.7-39.2174.1-72.7171.3-176.100111.8Q40 Q41 G47 T48Q40-E44 PolarHBondContact NE2-OE1 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.34Å; Q40-E44 PolarHBondContact O-N 3.02Å; Q41-E44 PolarHBondContact O-N 2.81Å; E44-G47 PolarHBondContact O-N 2.85Å; E44-T48 PolarHBondContact O-N 3.47Å; E44-T48 VanDerWaalsContact O-N 3.16Å; E44-T48 PolarHBondContact O-OG1 2.99Å
45R72.5Confident63.5Low201 Ų201115.5 Ų115.576%0.75859%0.588SS**Hα-helixtrans-68.9-33.8176.1-151.4173.294.7173.96.5113Q41 E42 N43 T48Q41-R45 WeakPolarHBondContact O-CB 3.2Å; Q41-R45 PolarHBondContact O-N 2.74Å; E42-R45 PolarHBondContact O-N 3.46Å; N43-R45 VanDerWaalsContact C-N 3.32Å; N43-R45 PolarHBondContact O-N 3.39Å; R45-T48 PolarHBondContact O-OG1 2.83Å
46K67.9Low60.6Low123 Ų123126.3 Ų126.354%0.53563%0.628SS.*Hα-helixtrans-75.9-29.2174.2-74.1174-174.6163.60112.5E42 N43E42-K46 WeakPolarHBondContact O-CG 3.48Å; E42-K46 PolarHBondContact O-N 3.45Å; E42-K46 WeakPolarHBondContact OE1-CE 3.48Å; E42-K46 IonicContact OE1-NZ 2.66Å; E42-K46 PolarHBondContact OE1-NZ 2.82Å; N43-K46 PolarHBondContact O-N 3.49Å
47G53.2Low57.6Low45 Ų45129.4 Ų129.446%0.46465%0.652SS.*Hα-helixtrans-70.5-39.217600000113.7N43 E44 A49 R50N43-G47 PolarHBondContact O-N 3.17Å; E44-G47 PolarHBondContact O-N 2.85Å; G47-A49 PolarHBondContact O-N 3.34Å; G47-R50 PolarHBondContact O-N 3.14Å
48T49.9Very low54.6Low107 Ų107138.3 Ų138.366%0.65668%0.679SS**Hα-helixtrans-71.3-25.8179.134.40000113.7E44 R45 R50E44-T48 PolarHBondContact O-N 3.47Å; E44-T48 VanDerWaalsContact O-N 3.16Å; E44-T48 PolarHBondContact O-OG1 2.99Å; R45-T48 PolarHBondContact O-OG1 2.83Å; T48-R50 VanDerWaalsContact C-N 3.28Å; T48-R50 PolarHBondContact O-N 2.85Å
49A46.4Very low51.7Low85 Ų85134.4 Ų134.470%0.70269%0.686SS**THydrogen-bonded Turntrans-72.2-13.317800000114.6G47G47-A49 PolarHBondContact O-N 3.34Å
50R41.7Very low48.7Very low232 Ų232140 Ų14088%0.87572%0.716SS**THydrogen-bonded Turntrans-88.7-10.2-178.3-88.4-174.7169.2-179.7-2.2115.3G47 T48G47-R50 PolarHBondContact O-N 3.14Å; T48-R50 VanDerWaalsContact C-N 3.28Å; T48-R50 PolarHBondContact O-N 2.85Å
51F35.6Very low45.9Very low204 Ų204138.9 Ų138.990%0.89573%0.727SS**SBendtrans-109.28.8-173.6-99.9-82.3000115.4
52G35.4Very low43.1Very low69 Ų69137.1 Ų137.171%0.71174%0.74SS**  trans-118.624.9-170.100000116.8
53H35.3Very low40.5Very low185 Ų185137.9 Ų137.986%0.85676%0.762SS**  trans-135.577.8177.1-155.97.3000113.6
54E29.2Very low38.1Very low197 Ų197138.8 Ų138.892%0.92178%0.776SS**  trans-136114.3154.3-80.4-167.9141.300110.7
55G27.5Very low35.8Very low66 Ų66137.6 Ų137.668%0.6879%0.786SS**  trans69.4100.4143.500000120.5
56R26.6Very low33.6Very low256 Ų256132.8 Ų132.897%0.96679%0.79SS**  -175.7106.9123-98.9164.1-168-144.13.5112.4
57T25.7Very low31.6Very low132 Ų132131.7 Ų131.781%0.8180%0.803SS**  trans-76.6138151.949.20000108.2
58W25.6Very low30.4Very low255 Ų255134.3 Ų134.397%0.96682%0.82SS**  174.6134.776.7-135.523.6000104.5
59G25.4Very low29.2Very low70 Ų70133.3 Ų133.372%0.72283%0.832SS**  135.4115.689.700000111.7
60D23.3Very low28.3Very low171 Ų171133.2 Ų133.291%0.91484%0.839SS**  trans37.6147.7142.6-1417.9000125.7
61A25.6Very low27.6Very low94 Ų94126.1 Ų126.178%0.77784%0.838SS**  trans86.9127.2155.100000121.9
62G25Very low27.4Very low82 Ų82123 Ų12385%0.84584%0.835SS**  trans138.8107.8137.600000117.1
63A26.2Very low27.6Very low105 Ų105125.3 Ų125.387%0.86884%0.838SS**  trans-80163.5177.700000115.1
64S26.4Very low27.3Very low120 Ų120121.5 Ų121.584%0.83983%0.833SS**  trans127.8134.4132.8-164.10000116.5
65A27.2Very low27.5Very low91 Ų91122.1 Ų122.175%0.75283%0.832SS**  trans-69.9152.2169.200000113.2
66A26.3Very low27.5Very low100 Ų100122.7 Ų122.783%0.82684%0.838SS**  172.9126.4129.300000113.2
67A26.1Very low27.8Very low99 Ų99117.3 Ų117.382%0.81883%0.833SS**  trans36.9137.1135.700000124.5
68A27.5Very low28Very low100 Ų100118.8 Ų118.883%0.82684%0.836SS**  trans84.4106.8135.700000121.2
69G25.6Very low28.2Very low87 Ų87117 Ų11790%0.89784%0.835SS**  74.9113.3107.500000119.8
70G26.3Very low28.6Very low83 Ų83118.1 Ų118.186%0.85684%0.838SS**  trans168.6108.3155.500000116.6
71G26.8Very low29.2Very low82 Ų82119.1 Ų119.185%0.84584%0.837SS**  trans88.598.1134.500000121
72T31.8Very low29.6Very low138 Ų138123.7 Ų123.785%0.84784%0.842SS**  trans-62.8158.8152.522.80000112.5
73P40.2Very low30.1Very low118 Ų118125.6 Ų125.677%0.76684%0.84SS**  -149.5155.760.738.4-16.2000120.3
74S29.2Very low30.5Very low106 Ų106129.8 Ų129.874%0.74184%0.844SS**  trans18.5127.6148.968.90000121.5
75K32.9Very low30.8Very low210 Ų210132.6 Ų132.691%0.91384%0.843SS**  -145.3115.8129.7-104.2178.7-178.6178.90109
76G27.7Very low31.2Very low77 Ų77132.9 Ų132.979%0.79484%0.84SS**  trans-75.8158.7173.100000111.9
77V33.3Very low31.4Very low144 Ų144135.7 Ų135.787%0.87384%0.841SS**  trans-138.1122.5165.3-119.60000107.7
78N29.7Very low32Very low163 Ų163135.7 Ų135.787%0.87284%0.835SS**  trans-68.8141.3-175.4-75-27.1000111.7
79F30.3Very low32.4Very low217 Ų217139.9 Ų139.995%0.95284%0.837SS**  trans-83.9112.7158.3-93.5-96.5000108.3
80A32.3Very low32.8Very low93 Ų93143.9 Ų143.977%0.76984%0.838SS**  trans-106.9136.3162.200000108
81E37.4Very low33.4Very low193 Ų193143.4 Ų143.490%0.90283%0.833SS**  trans-60.3125.7178.8-60.5169.4144.400111.6
82E32.7Very low33.8Very low189 Ų189148.5 Ų148.588%0.88384%0.835SS**  trans-148.5142.4146-76.9-157.7162.700110.5
83P35.9Very low34.2Very low123 Ų123151.1 Ų151.180%0.79984%0.838SS**  trans-82.3136.1-166.932.6-34000112.5H85P83-H85 PolarHBondContact O-N 3.11Å
84M34.2Very low34.2Very low193 Ų193154.5 Ų154.595%0.95184%0.843SS**  trans-76.8115.3168.7-95.4-164.7-71.100110.2S86M84-S86 PolarHBondContact O-N 3.18Å
85H33.5Very low34.5Very low178 Ų178158.2 Ų158.282%0.82485%0.849SS**  trans-59.5121.7166.2-119.7-74.1000110.1P83P83-H85 PolarHBondContact O-N 3.11Å
86S35.7Very low34.8Very low98 Ų98153.1 Ų153.169%0.68585%0.846SS**  trans-97.3109.4159.960.80000107.9M84 S88M84-S86 PolarHBondContact O-N 3.18Å; S86-S88 PolarHBondContact O-N 2.84Å
87D31Very low35.2Very low158 Ų158153.4 Ų153.485%0.84584%0.841SS**  trans-62.3124169.5-78.6-26000109
88S38.2Very low35.5Very low100 Ų100152.6 Ų152.670%0.69984%0.839SS**  trans-120.1117.6173.429.40000105.4S86S86-S88 PolarHBondContact O-N 2.84Å
89E35.9Very low36.2Very low187 Ų187149.7 Ų149.787%0.87484%0.838SS**  trans174.3104155.2-99.2166.4-164.200108.1
90D33.7Very low36.4Very low171 Ų171146.2 Ų146.291%0.91483%0.829SS**  -162.6116.8119.8-96.2-26.8000107.9
91G38.1Very low37.2Very low73 Ų73146.8 Ų146.875%0.75383%0.834SS**  trans-95146-179.200000111.7
92E36.6Very low37.5Very low189 Ų189140.8 Ų140.888%0.88382%0.824SS**  trans-127.7109.8150.3-70.7-173171.200106.9E94E92-E94 PolarHBondContact O-N 3.4Å
93E40.1Very low38.1Very low193 Ų193135.6 Ų135.690%0.90281%0.813SS**  trans-65.8100.2165-67176.9155.700107.8E95E93-E95 PolarHBondContact O-N 2.82Å
94E39.3Very low38.8Very low189 Ų189138.3 Ų138.388%0.88381%0.813SS**  trans-80105.9159.6-85.1-161.5158.400108.5E92 A96E92-E94 PolarHBondContact O-N 3.4Å; E94-A96 PolarHBondContact O-N 2.87Å
95E35.3Very low39.6Very low184 Ų184136.3 Ų136.386%0.8681%0.806SS**  trans-49.2128.9170-70.4-156.2153.800111.3E93 A97E93-E95 PolarHBondContact O-N 2.82Å; E95-A97 PolarHBondContact O-N 2.96Å
96A40.8Very low40.3Very low104 Ų104131 Ų13186%0.8679%0.793SS**  trans-64.696.3170.700000110.2E94E94-A96 PolarHBondContact O-N 2.87Å
97A35.9Very low41.4Very low83 Ų83131.5 Ų131.569%0.68679%0.794SS**  trans-63.8143.4164.400000110.1E95 A99E95-A97 PolarHBondContact O-N 2.96Å; A97-A99 PolarHBondContact O-N 2.88Å
98P39.9Very low42.9Very low126 Ų126130.5 Ų130.582%0.81879%0.793SS**  trans-65.2138.5-175.427.7-32.5000110.5D100P98-D100 PolarHBondContact O-N 3.39Å; P98-D100 VanDerWaalsContact O-N 3.1Å
99A43.6Very low43.7Very low103 Ų103132 Ų13285%0.85179%0.792SS**  trans-51.7111.8-177.300000112.4A97 A101A97-A99 PolarHBondContact O-N 2.88Å; A99-A101 PolarHBondContact O-N 3.14Å
100D35.3Very low45.2Very low143 Ų143127.7 Ų127.777%0.76578%0.775SS**  trans-73.2117.7161.3-172.320.1000108.5P98 G102P98-D100 PolarHBondContact O-N 3.39Å; P98-D100 VanDerWaalsContact O-N 3.1Å; D100-G102 PolarHBondContact O-N 3.38Å
101A49.3Very low47Very low105 Ų105126.2 Ų126.287%0.86876%0.757SS**THydrogen-bonded Turntrans-73.677.8179.300000109.6A99A99-A101 PolarHBondContact O-N 3.14Å
102G42.9Very low48.6Very low68 Ų68131.9 Ų131.970%0.70176%0.761SS**THydrogen-bonded Turntrans-178-12.1178.100000116.9D100 F104D100-G102 PolarHBondContact O-N 3.38Å; G102-F104 PolarHBondContact O-N 3.41Å
103A44Very low50.3Low80 Ų80127.1 Ų127.166%0.66175%0.745SS**  trans-76.5112.6-179.700000111.4N105A103-N105 PolarHBondContact O-N 3.15Å
104F50.8Low52.1Low180 Ų180129.2 Ų129.279%0.78974%0.744SS**  trans-65.2100167.9177.4-99.1000109.3G102 A106G102-F104 PolarHBondContact O-N 3.41Å; F104-A106 HydrophobicContact CD1-CB 4.45Å; F104-A106 HydrophobicContact CE1-CB 3.97Å; F104-A106 PolarHBondContact O-N 3.35Å
105N51.3Low54.1Low150 Ų150131.9 Ų131.980%0.80275%0.747SS**  trans-76.7105.4167.1-86.5-10.4000108.7A103A103-N105 PolarHBondContact O-N 3.15Å
106A48.5Very low56.3Low67 Ų67127.5 Ų127.555%0.55474%0.741SS**  trans-59138.8172.700000109.9F104 V108F104-A106 HydrophobicContact CD1-CB 4.45Å; F104-A106 HydrophobicContact CE1-CB 3.97Å; F104-A106 PolarHBondContact O-N 3.35Å; A106-V108 PolarHBondContact O-N 3.3Å
107P59.3Low58.4Low109 Ų109128.6 Ų128.671%0.70874%0.743SS**  trans-60.5136.1179.622.6-30.6000110.7I109P107-I109 PolarHBondContact O-N 2.78Å; P107-I109 VanDerWaalsContact O-N 3.1Å
108V61.2Low60.6Low136 Ų136129.1 Ų129.182%0.82474%0.738SS**  trans-61.7112.5-177-1770000109.8A106 N110A106-V108 PolarHBondContact O-N 3.3Å; V108-N110 PolarHBondContact O-N 3.35Å
109I56Low62.6Low131 Ų131128.5 Ų128.567%0.67274%0.735SS**  trans-73.894.9174.5-59.4174.9000108.1P107 R111P107-I109 PolarHBondContact O-N 2.78Å; P107-I109 VanDerWaalsContact O-N 3.1Å; I109-R111 HydrophobicContact CG2-CG 4.11Å; I109-R111 PolarHBondContact O-N 2.84Å; I109-R111 VanDerWaalsContact O-N 3.1Å
110N67.3Low64.5Low98 Ų98124.6 Ų124.652%0.52470%0.703SS.*  trans-83.688.9-178.9-162.6-13.6000111.6V108 F112 T113V108-N110 PolarHBondContact O-N 3.35Å; N110-F112 PolarHBondContact O-N 2.62Å; N110-F112 PolarHBondContact OD1-N 3.42Å; N110-T113 WeakPolarHBondContact CB-OG1 3.33Å; N110-T113 PolarHBondContact ND2-OG1 3.18Å; N110-T113 PolarHBondContact O-N 3.23Å; N110-T113 PolarHBondContact O-OG1 2.6Å; N110-T113 PolarHBondContact OD1-OG1 2.91Å
111R72.2Confident66.7Low139 Ų139122.1 Ų122.153%0.52569%0.686SS.*THydrogen-bonded Turntrans-66.9-16.5-178.1-64.8-177.9171.4171.5-0.2114.8E30 I109E30-R111 IonicContact OE1-CZ 2.69Å; E30-R111 IonicContact OE1-NH1 2.72Å; E30-R111 PolarHBondContact OE1-NH1 3.15Å; E30-R111 IonicContact OE1-NH2 2.61Å; E30-R111 PolarHBondContact OE1-NH2 2.91Å; E30-R111 IonicContact OE2-CZ 2.69Å; E30-R111 IonicContact OE2-NH2 2.93Å; E30-R111 PolarHBondContact OE2-NH2 2.91Å; I109-R111 HydrophobicContact CG2-CG 4.11Å; I109-R111 PolarHBondContact O-N 2.84Å; I109-R111 VanDerWaalsContact O-N 3.1Å
112F70.3Confident68.3Low193 Ų193122.3 Ų122.385%0.84669%0.688SS**THydrogen-bonded Turntrans-95.7-4.8-179-61.6-75.4000112.6N110 R114N110-F112 PolarHBondContact O-N 2.62Å; N110-F112 PolarHBondContact OD1-N 3.42Å; F112-R114 PolarHBondContact O-N 3.21Å
113T73.3Confident70.1Confident89 Ų89122 Ų12255%0.54667%0.666SS.*PPolyproline II helixtrans-74.5121.4174.5-51.40000110.4N110N110-T113 WeakPolarHBondContact CB-OG1 3.33Å; N110-T113 PolarHBondContact ND2-OG1 3.18Å; N110-T113 PolarHBondContact O-N 3.23Å; N110-T113 PolarHBondContact O-OG1 2.6Å; N110-T113 PolarHBondContact OD1-OG1 2.91Å
114R78.8Confident72Confident236 Ų236121.3 Ų121.389%0.89165%0.651SS**PPolyproline II helixtrans-70.2135.7173.6-67.9-176.3178.9-177.90.1109.7F112 A116F112-R114 PolarHBondContact O-N 3.21Å; R114-A116 PolarHBondContact O-N 3.28Å
115R80.6Confident73.3Confident246 Ų246114.6 Ų114.693%0.92863%0.626SS**PPolyproline II helixtrans-68.8121.8170.3-64.5174.368.7173.82.1108.6
116A81.9Confident74.4Confident91 Ų91111.7 Ų111.775%0.75261%0.61SS**PPolyproline II helixtrans-79.1148.3174.500000110.9R114R114-A116 PolarHBondContact O-N 3.28Å
117S84Confident75.4Confident127 Ų127113.6 Ų113.689%0.88861%0.608SS**PPolyproline II helixtrans-74.4146169.5-59.70000110.2
118V83.1Confident75.3Confident95 Ų95116.1 Ų116.158%0.57661%0.61SS**  trans-117.7141.4171.5-64.80000109.1Y231V118-Y231 HydrophobicContact CB-CD1 4.49Å; V118-Y231 HydrophobicContact CB-CD2 3.93Å; V118-Y231 HydrophobicContact CB-CG 3.92Å; V118-Y231 HydrophobicContact CG1-CD2 3.86Å; V118-Y231 HydrophobicContact CG1-CE2 4.14Å; V118-Y231 HydrophobicContact CG1-CG 4.36Å; V118-Y231 HydrophobicContact CG2-CD1 4.01Å; V118-Y231 HydrophobicContact CG2-CD2 4.21Å; V118-Y231 HydrophobicContact CG2-CE1 4.38Å; V118-Y231 HydrophobicContact CG2-CG 3.95Å
119C80.6Confident75Confident113 Ų113117.9 Ų117.976%0.76461%0.609SS**  trans-139.7141.1176.9-163.80000108.8
120A83.1Confident74.8Confident21 Ų21113 Ų11317%0.17459%0.585CS.*PPolyproline II helixtrans-99.6174171.100000109.8R256A120-R256 VanDerWaalsContact CB-NH1 3.32Å
121E82.8Confident74.2Confident90 Ų90114.3 Ų114.342%0.42159%0.591SS.*PPolyproline II helixtrans-60.7140.1175.6-5479.3-175.400110.5R252E121-R252 VanDerWaalsContact OE2-CD 3.22Å; E121-R252 WeakPolarHBondContact OE2-CD 3.45Å
122A83.3Confident73.1Confident109 Ų109112 Ų11290%0.90160%0.603SS**PPolyproline II helixtrans-71.1137.4175.500000109.8
123Y80.3Confident72.5Confident62 Ų62108.1 Ų108.124%0.24359%0.587CS.*  trans-136.1127.8175.4178.4-106.3000108.6P125 D130 R257 V260 K261Y123-P125 HydrophobicContact CE1-CB 4.26Å; Y123-P125 WeakPolarHBondContact O-CD 3.25Å; Y123-D130 WeakPolarHBondContact CE2-OD2 3.37Å; Y123-D130 PolarHBondContact OH-OD2 3.39Å; Y123-R257 HydrophobicContact CE2-CB 4.46Å; Y123-R257 HydrophobicContact CE2-CG 3.95Å; Y123-V260 HydrophobicContact CD1-CB 3.92Å; Y123-V260 HydrophobicContact CD1-CG1 3.78Å; Y123-V260 HydrophobicContact CE1-CB 4.28Å; Y123-V260 HydrophobicContact CE1-CG1 4.26Å; Y123-K261 HydrophobicContact CE1-CB 4.27Å
124N82.8Confident71.9Confident65 Ų65109.1 Ų109.135%0.34860%0.597SS.*  trans-95.2108.4176.2-176.12.8000109.7D126 E127N124-D126 PolarHBondContact O-N 2.7Å; N124-D126 PolarHBondContact OD1-N 3.22Å; N124-D126 VanDerWaalsContact OD1-N 3.13Å; N124-E127 HydrophobicContact CB-CG 4.09Å; N124-E127 VanDerWaalsContact CB-OE1 3.25Å; N124-E127 WeakPolarHBondContact CB-OE1 3.16Å; N124-E127 WeakPolarHBondContact ND2-CG 3.34Å; N124-E127 PolarHBondContact ND2-OE1 2.73Å; N124-E127 PolarHBondContact O-N 3.44Å
125P78.6Confident71.6Confident40 Ų40103.4 Ų103.426%0.2658%0.576SS.*THydrogen-bonded Turntrans-71.9-11.2-178.527.1-32.5000114.8Y123 V260 A264Y123-P125 HydrophobicContact CE1-CB 4.26Å; Y123-P125 WeakPolarHBondContact O-CD 3.25Å; P125-V260 HydrophobicContact CB-CG1 4.06Å; P125-V260 HydrophobicContact CG-CG1 4.27Å; P125-A264 HydrophobicContact CB-CB 3.42Å; P125-A264 VanDerWaalsContact CB-CB 3.42Å; P125-A264 HydrophobicContact CG-CB 4.09Å
126D74.4Confident71.8Confident89 Ų8994.6 Ų94.648%0.47655%0.547SS..THydrogen-bonded Turntrans-94.1-3.1-176.7-64.3-40.6000113N124 E128 K268N124-D126 PolarHBondContact O-N 2.7Å; N124-D126 PolarHBondContact OD1-N 3.22Å; N124-D126 VanDerWaalsContact OD1-N 3.13Å; D126-E128 PolarHBondContact O-N 3.45Å; D126-K268 WeakPolarHBondContact OD1-CE 3.4Å; D126-K268 IonicContact OD1-NZ 2.9Å; D126-K268 PolarHBondContact OD1-NZ 3.33Å
127E70.3Confident72.2Confident106 Ų10695.3 Ų95.350%0.49554%0.537SS..  trans-72.6107.7176.3-85.3163.9-151.500110.9N124 E129N124-E127 HydrophobicContact CB-CG 4.09Å; N124-E127 VanDerWaalsContact CB-OE1 3.25Å; N124-E127 WeakPolarHBondContact CB-OE1 3.16Å; N124-E127 WeakPolarHBondContact ND2-CG 3.34Å; N124-E127 PolarHBondContact ND2-OE1 2.73Å; N124-E127 PolarHBondContact O-N 3.44Å; E127-E129 VanDerWaalsContact C-N 3.25Å; E127-E129 PolarHBondContact O-N 3.39Å
128E56.8Low72.6Confident163 Ų16392.5 Ų92.576%0.76251%0.509SS*.G310 helixtrans-70.5-16.7-178-61.5-177.3170.100113.4D126 D130 D131D126-E128 PolarHBondContact O-N 3.45Å; E128-D130 PolarHBondContact O-N 3Å; E128-D131 PolarHBondContact O-N 2.65Å
129E54.6Low73Confident173 Ų17393.5 Ų93.581%0.80852%0.518SS*.G310 helixtrans-61.6-27.5177.2-87.5-178.3161.100112.6E127 D131 A132E127-E129 VanDerWaalsContact C-N 3.25Å; E127-E129 PolarHBondContact O-N 3.39Å; E129-D131 VanDerWaalsContact C-N 3.25Å; E129-D131 PolarHBondContact O-N 2.94Å; E129-A132 PolarHBondContact O-N 2.87Å
130D51.9Low73.6Confident29 Ų2990 Ų9016%0.15549%0.49CS..G310 helixtrans-71.5-13.5178.3-85-2.3000113.9Y123 E128 A132 E133 K261Y123-D130 WeakPolarHBondContact CE2-OD2 3.37Å; Y123-D130 PolarHBondContact OH-OD2 3.39Å; E128-D130 PolarHBondContact O-N 3Å; D130-A132 PolarHBondContact O-N 3.05Å; D130-E133 PolarHBondContact O-N 3.22Å; D130-K261 PolarHBondContact O-NZ 3.26Å
131D54.4Low74Confident124 Ų12492.8 Ų92.866%0.66351%0.505SS*.G310 helixtrans-72.4-14.4173.9-79.2-14.5000112.1E128 E129 K261E128-D131 PolarHBondContact O-N 2.65Å; E129-D131 VanDerWaalsContact C-N 3.25Å; E129-D131 PolarHBondContact O-N 2.94Å; D131-K261 WeakPolarHBondContact OD1-CE 3.44Å; D131-K261 IonicContact OD1-NZ 3.6Å; D131-K261 PolarHBondContact OD1-NZ 3.21Å
132A49.9Very low74.5Confident92 Ų9294.7 Ų94.776%0.7652%0.518SS*.SBendtrans-89.2-17.1171.700000113.6E129 D130 S134E129-A132 PolarHBondContact O-N 2.87Å; D130-A132 PolarHBondContact O-N 3.05Å; A132-S134 PolarHBondContact O-N 3.35Å
133E56.7Low74.8Confident110 Ų11094.2 Ų94.251%0.51450%0.5SS..SBendtrans-70.8115.9173.2-81.4-163.2152.900110D130 R135 R257D130-E133 PolarHBondContact O-N 3.22Å; E133-R135 PolarHBondContact O-N 2.9Å; E133-R135 VanDerWaalsContact O-N 3.15Å; E133-R257 IonicContact OE2-CZ 3.59Å; E133-R257 IonicContact OE2-NH1 2.76Å; E133-R257 PolarHBondContact OE2-NH1 3.22Å
134S60.3Low75.3Confident110 Ų11092.8 Ų92.877%0.76950%0.496SS*.  trans-56.2120.9178.852.50000110.5A132 I136A132-S134 PolarHBondContact O-N 3.35Å; S134-I136 PolarHBondContact O-N 2.86Å
135R74.3Confident75.8Confident116 Ų11693.5 Ų93.544%0.43849%0.493SS..  trans-42.6123.9168.6-179.7178.2174.1161.7-2.3109.2E133 I137 Q168 D171E133-R135 PolarHBondContact O-N 2.9Å; E133-R135 VanDerWaalsContact O-N 3.15Å; R135-I137 HydrophobicContact CB-CG1 4.43Å; R135-I137 HydrophobicContact CG-CD1 4.3Å; R135-I137 HydrophobicContact CG-CG1 3.92Å; R135-I137 PolarHBondContact O-N 2.89Å; R135-Q168 VanDerWaalsContact CZ-CG 3.42Å; R135-Q168 VanDerWaalsContact NH2-CG 3.32Å; R135-D171 IonicContact CZ-OD2 3.07Å; R135-D171 VanDerWaalsContact CZ-OD2 3.31Å; R135-D171 IonicContact NE-OD2 2.91Å; R135-D171 PolarHBondContact NE-OD2 2.91Å; R135-D171 IonicContact NH2-OD2 3.66Å; R135-D171 PolarHBondContact NH2-OD2 3.28Å
136I83.7Confident76.4Confident62 Ų6296.1 Ų96.132%0.31851%0.505SS..  trans-68.9117.1176.1-58.9175.1000107.3S134 H138 D171 A172 T254S134-I136 PolarHBondContact O-N 2.86Å; I136-H138 VanDerWaalsContact CG2-NE2 3.3Å; I136-H138 WeakPolarHBondContact CG2-NE2 3.17Å; I136-D171 CarbonylContact O-C 3.56Å; I136-A172 WeakPolarHBondContact O-CA 3.45Å; I136-A172 PolarHBondContact O-N 2.8Å; I136-T254 HydrophobicContact CD1-CG2 4.18Å
137I90.2Very high77Confident106 Ų10696.7 Ų96.754%0.54450%0.501SS..  trans-127.8111.2178.7-58175.6000108R135 D171R135-I137 HydrophobicContact CB-CG1 4.43Å; R135-I137 HydrophobicContact CG-CD1 4.3Å; R135-I137 HydrophobicContact CG-CG1 3.92Å; R135-I137 PolarHBondContact O-N 2.89Å; I137-D171 HydrophobicContact CG1-CB 4.3Å; I137-D171 HydrophobicContact CG2-CB 4.42Å
138H92.6Very high78Confident67 Ų6791.8 Ų91.831%0.3148%0.478SS..  trans-96.3123.4167.9-65.5-78.3000109.1I136 K140 D171 A172 M173I136-H138 VanDerWaalsContact CG2-NE2 3.3Å; I136-H138 WeakPolarHBondContact CG2-NE2 3.17Å; H138-K140 PolarHBondContact O-N 2.76Å; H138-K140 PolarHBondContact O-NZ 2.95Å; H138-D171 PolarHBondContact N-O 3.45Å; H138-A172 PolarHBondContact CD2-O 2.89Å; H138-M173 VanDerWaalsContact CB-O 3.27Å; H138-M173 WeakPolarHBondContact CB-O 3.34Å
139P92Very high79.6Confident117 Ų11787.8 Ų87.876%0.7646%0.459SS*.  trans-62.6136.6-177.125.8-33.7000111.1
140K92Very high81.2Confident40 Ų4085.1 Ų85.117%0.17445%0.447CS..  trans-137.9143.6179.3-63.2176.4-172.369.90108.9H138 Q144 L148 L170 D171 M173 W248H138-K140 PolarHBondContact O-N 2.76Å; H138-K140 PolarHBondContact O-NZ 2.95Å; K140-Q144 HydrophobicContact CB-CB 4.48Å; K140-L148 HydrophobicContact CD-CD2 4.11Å; K140-L170 WeakPolarHBondContact CE-O 3.39Å; K140-L170 PolarHBondContact NZ-O 3.49Å; K140-D171 PolarHBondContact NZ-O 2.81Å; K140-M173 WeakPolarHBondContact CE-O 3.45Å; K140-M173 PolarHBondContact NZ-O 2.96Å; K140-W248 HydrophobicContact CD-CE3 4.41Å; K140-W248 HydrophobicContact CD-CH2 4.06Å; K140-W248 HydrophobicContact CD-CZ2 4.32Å; K140-W248 HydrophobicContact CD-CZ3 4.09Å; K140-W248 HydrophobicContact CG-CH2 3.6Å; K140-W248 HydrophobicContact CG-CZ2 4.08Å; K140-W248 HydrophobicContact CG-CZ3 3.98Å
141T92.4Very high82.9Confident79 Ų7985.6 Ų85.649%0.48546%0.455SS..  trans-70157.2168.961.70000110.4D143 Q144 R145T141-D143 PolarHBondContact O-N 3.33Å; T141-Q144 PolarHBondContact O-N 2.85Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.44Å; T141-Q144 VanDerWaalsContact OG1-CD 3.31Å; T141-Q144 VanDerWaalsContact OG1-CG 3.22Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.36Å; T141-Q144 PolarHBondContact OG1-N 3.26Å; T141-Q144 PolarHBondContact OG1-OE1 3.16Å; T141-R145 WeakPolarHBondContact O-CB 3.25Å; T141-R145 PolarHBondContact O-N 2.96Å
142D92.7Very high84.4Confident129 Ų12979.7 Ų79.769%0.6942%0.423SS*.Hα-helixtrans-58.6-37.2177.7-63.5-36.3000111.8R145 N146D142-R145 PolarHBondContact O-N 2.95Å; D142-N146 WeakPolarHBondContact O-CB 3.42Å; D142-N146 PolarHBondContact O-N 3.43Å; D142-N146 PolarHBondContact O-ND2 3.09Å
143D91.1Very high86Confident99 Ų9980.3 Ų80.353%0.52941%0.409SS..Hα-helixtrans-66.5-44.8177.6-179.547.7000112.3T141 R145 N146 R147T141-D143 PolarHBondContact O-N 3.33Å; D143-R145 VanDerWaalsContact C-N 3.34Å; D143-R145 PolarHBondContact O-N 2.77Å; D143-N146 PolarHBondContact O-N 2.63Å; D143-R147 PolarHBondContact O-N 3.06Å; D143-R147 VanDerWaalsContact O-N 3.08Å; D143-R147 IonicContact OD1-NH1 3.83Å; D143-R147 PolarHBondContact OD1-NH1 2.82Å; D143-R147 IonicContact OD2-CZ 3.89Å; D143-R147 IonicContact OD2-NH1 2.91Å; D143-R147 PolarHBondContact OD2-NH1 2.86Å
144Q90.5Very high87.1Confident32 Ų3281.4 Ų81.415%0.1542%0.418CS..Hα-helixtrans-61.6-42.1172-75.3167.1-43.300111.7K140 T141 R147 L148 W248K140-Q144 HydrophobicContact CB-CB 4.48Å; T141-Q144 PolarHBondContact O-N 2.85Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.44Å; T141-Q144 VanDerWaalsContact OG1-CD 3.31Å; T141-Q144 VanDerWaalsContact OG1-CG 3.22Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.36Å; T141-Q144 PolarHBondContact OG1-N 3.26Å; T141-Q144 PolarHBondContact OG1-OE1 3.16Å; Q144-R147 PolarHBondContact O-N 3.22Å; Q144-L148 VanDerWaalsContact O-CB 3.26Å; Q144-L148 WeakPolarHBondContact O-CB 3.45Å; Q144-L148 PolarHBondContact O-N 3.32Å; Q144-W248 HydrophobicContact CB-CZ2 4.24Å; Q144-W248 HydrophobicContact CG-CZ2 4.31Å
145R92.4Very high88.3Confident80 Ų8076.9 Ų76.930%0.30239%0.385SS..Hα-helixtrans-63.6-42.6179.9-166.8178-157.3-178.410.7111.6T141 D142 D143 L148 Q149 S167 L170 D171T141-R145 WeakPolarHBondContact O-CB 3.25Å; T141-R145 PolarHBondContact O-N 2.96Å; D142-R145 PolarHBondContact O-N 2.95Å; D143-R145 VanDerWaalsContact C-N 3.34Å; D143-R145 PolarHBondContact O-N 2.77Å; R145-L148 PolarHBondContact O-N 3.12Å; R145-Q149 VanDerWaalsContact O-CB 3.31Å; R145-Q149 WeakPolarHBondContact O-CB 3.39Å; R145-Q149 PolarHBondContact O-N 3.17Å; R145-S167 PolarHBondContact NH2-OG 3.28Å; R145-L170 HydrophobicContact CG-CD1 4.29Å; R145-D171 IonicContact CZ-OD1 3.71Å; R145-D171 IonicContact NH2-OD1 2.6Å; R145-D171 PolarHBondContact NH2-OD1 3.47Å; R145-D171 IonicContact NH2-OD2 3.21Å
146N90.9Very high88.7Confident96 Ų9677.8 Ų77.851%0.51340%0.398SS..Hα-helixtrans-65-44.2177.9-70.3-23.2000111.9D142 D143 Q149 E150D142-N146 WeakPolarHBondContact O-CB 3.42Å; D142-N146 PolarHBondContact O-N 3.43Å; D142-N146 PolarHBondContact O-ND2 3.09Å; D143-N146 PolarHBondContact O-N 2.63Å; N146-Q149 PolarHBondContact O-N 3.47Å; N146-E150 PolarHBondContact O-N 3.03Å
147R88Confident88.7Confident100 Ų10076.7 Ų76.738%0.37739%0.393SS..Hα-helixtrans-62.4-43.6174.9-74.5-162.2-58.7-832.6112.5D143 Q144 E150 A151 D198D143-R147 PolarHBondContact O-N 3.06Å; D143-R147 VanDerWaalsContact O-N 3.08Å; D143-R147 IonicContact OD1-NH1 3.83Å; D143-R147 PolarHBondContact OD1-NH1 2.82Å; D143-R147 IonicContact OD2-CZ 3.89Å; D143-R147 IonicContact OD2-NH1 2.91Å; D143-R147 PolarHBondContact OD2-NH1 2.86Å; Q144-R147 PolarHBondContact O-N 3.22Å; R147-E150 PolarHBondContact O-N 3.4Å; R147-A151 WeakPolarHBondContact O-CB 3.3Å; R147-A151 PolarHBondContact O-N 3.37Å; R147-D198 IonicContact CZ-OD1 3.91Å; R147-D198 IonicContact NE-OD1 2.77Å; R147-D198 PolarHBondContact NE-OD1 2.97Å; R147-D198 IonicContact NH2-OD1 2.95Å; R147-D198 PolarHBondContact NH2-OD1 3.34Å
148L90.5Very high88.5Confident3 Ų371.8 Ų71.82%0.01637%0.367CS..Hα-helixtrans-65.3-41.7179.2-173.458.5000111.2K140 Q144 R145 E150 A151 C152 L170 M173 V196 W248K140-L148 HydrophobicContact CD-CD2 4.11Å; Q144-L148 VanDerWaalsContact O-CB 3.26Å; Q144-L148 WeakPolarHBondContact O-CB 3.45Å; Q144-L148 PolarHBondContact O-N 3.32Å; R145-L148 PolarHBondContact O-N 3.12Å; L148-E150 VanDerWaalsContact C-N 3.34Å; L148-E150 PolarHBondContact O-N 2.82Å; L148-A151 PolarHBondContact O-N 2.77Å; L148-C152 WeakPolarHBondContact O-CB 3.41Å; L148-C152 PolarHBondContact O-N 3.32Å; L148-C152 PolarHBondContact O-SG 3.48Å; L148-L170 HydrophobicContact CB-CD2 4.15Å; L148-L170 HydrophobicContact CD2-CD2 3.66Å; L148-L170 HydrophobicContact CG-CD2 3.5Å; L148-M173 HydrophobicContact CD1-CE 4.1Å; L148-M173 HydrophobicContact CD1-SD 3.77Å; L148-M173 HydrophobicContact CD2-CB 4.31Å; L148-M173 HydrophobicContact CD2-CG 4.42Å; L148-M173 HydrophobicContact CD2-SD 3.65Å; L148-M173 HydrophobicContact CG-SD 3.94Å; L148-V196 HydrophobicContact CD1-CB 3.82Å; L148-V196 HydrophobicContact CD1-CG1 3.82Å; L148-V196 HydrophobicContact CD1-CG2 4.03Å; L148-W248 HydrophobicContact CD1-CB 3.79Å; L148-W248 HydrophobicContact CD1-CG 3.86Å; L148-W248 HydrophobicContact CD2-CB 4.3Å; L148-W248 HydrophobicContact CD2-CD2 4.22Å; L148-W248 HydrophobicContact CD2-CG 3.96Å; L148-W248 HydrophobicContact CG-CG 4.49Å
149Q90.6Very high87.9Confident80 Ų8073.8 Ų73.837%0.37438%0.375SS..Hα-helixtrans-60.3-44.5173.9-171.5174.714.400111.1R145 N146 C152 K153 L170R145-Q149 VanDerWaalsContact O-CB 3.31Å; R145-Q149 WeakPolarHBondContact O-CB 3.39Å; R145-Q149 PolarHBondContact O-N 3.17Å; N146-Q149 PolarHBondContact O-N 3.47Å; Q149-C152 PolarHBondContact O-N 3.35Å; Q149-K153 WeakPolarHBondContact O-CG 3.48Å; Q149-K153 PolarHBondContact O-N 3.38Å; Q149-L170 HydrophobicContact CB-CD1 4.09Å; Q149-L170 HydrophobicContact CG-CD1 4.39Å
150E87.8Confident87.3Confident116 Ų11675.2 Ų75.254%0.54238%0.376SS..Hα-helixtrans-61.3-47.1176.4-169.564.8-163.800112N146 R147 L148 C152 K153N146-E150 PolarHBondContact O-N 3.03Å; R147-E150 PolarHBondContact O-N 3.4Å; L148-E150 VanDerWaalsContact C-N 3.34Å; L148-E150 PolarHBondContact O-N 2.82Å; E150-C152 PolarHBondContact O-N 3.13Å; E150-K153 PolarHBondContact O-N 3.33Å; E150-K153 WeakPolarHBondContact OE2-CD 3.17Å; E150-K153 VanDerWaalsContact OE2-CE 3.32Å; E150-K153 WeakPolarHBondContact OE2-CE 3.2Å; E150-K153 IonicContact OE2-NZ 2.81Å; E150-K153 PolarHBondContact OE2-NZ 2.69Å
151A87Confident87Confident39 Ų3974.6 Ų74.632%0.32238%0.375SS..Hα-helixtrans-63.6-30.1179.300000113R147 L148 V196R147-A151 WeakPolarHBondContact O-CB 3.3Å; R147-A151 PolarHBondContact O-N 3.37Å; L148-A151 PolarHBondContact O-N 2.77Å; A151-V196 HydrophobicContact CB-CG1 3.55Å
152C87.3Confident86.5Confident0 Ų072.3 Ų72.30%036%0.36CS..Hα-helixtrans-82.5-16.8179.4-73.30000114.2L148 Q149 E150 D154 I155 F158L148-C152 WeakPolarHBondContact O-CB 3.41Å; L148-C152 PolarHBondContact O-N 3.32Å; L148-C152 PolarHBondContact O-SG 3.48Å; Q149-C152 PolarHBondContact O-N 3.35Å; E150-C152 PolarHBondContact O-N 3.13Å; C152-D154 VanDerWaalsContact C-N 3.31Å; C152-D154 PolarHBondContact O-N 2.65Å; C152-I155 PolarHBondContact O-N 3.32Å; C152-F158 HydrophobicContact CB-CB 4.49Å; C152-F158 HydrophobicContact CB-CD2 3.57Å; C152-F158 HydrophobicContact CB-CE2 4.17Å; C152-F158 HydrophobicContact CB-CG 4.38Å; C152-F158 WeakPolarHBondContact O-CB 3.49Å
153K83.4Confident86.2Confident106 Ų10671.6 Ų71.646%0.46136%0.362SS..THydrogen-bonded Turntrans-58.6-38.8-175.2-81.1172.8-173.8176.60113.5Q149 E150 I155 K159Q149-K153 WeakPolarHBondContact O-CG 3.48Å; Q149-K153 PolarHBondContact O-N 3.38Å; E150-K153 PolarHBondContact O-N 3.33Å; E150-K153 WeakPolarHBondContact OE2-CD 3.17Å; E150-K153 VanDerWaalsContact OE2-CE 3.32Å; E150-K153 WeakPolarHBondContact OE2-CE 3.2Å; E150-K153 IonicContact OE2-NZ 2.81Å; E150-K153 PolarHBondContact OE2-NZ 2.69Å; K153-I155 VanDerWaalsContact C-N 3.34Å; K153-K159 WeakPolarHBondContact O-CG 3.32Å
154D80.6Confident85.9Confident132 Ų13273.4 Ų73.471%0.70637%0.367SS*.THydrogen-bonded Turntrans-88.6-0.7-174.9-77-40.8000114.4C152 K159C152-D154 VanDerWaalsContact C-N 3.31Å; C152-D154 PolarHBondContact O-N 2.65Å; D154-K159 VanDerWaalsContact CA-CE 3.45Å; D154-K159 WeakPolarHBondContact O-CE 3.41Å; D154-K159 PolarHBondContact O-NZ 3.08Å
155I85Confident85.8Confident15 Ų1572.1 Ų72.18%0.07736%0.361CS..  trans-84124.2-179-56.1-176.1000109.5C152 K153 L157 F158 K159 F194 S223 E226C152-I155 PolarHBondContact O-N 3.32Å; K153-I155 VanDerWaalsContact C-N 3.34Å; I155-L157 HydrophobicContact CG2-CB 4.49Å; I155-L157 PolarHBondContact O-N 2.9Å; I155-L157 VanDerWaalsContact O-N 3.09Å; I155-F158 HydrophobicContact CB-CB 4.43Å; I155-F158 HydrophobicContact CB-CD2 3.73Å; I155-F158 HydrophobicContact CB-CE2 4.38Å; I155-F158 HydrophobicContact CB-CG 4.35Å; I155-F158 HydrophobicContact CD1-CD2 3.96Å; I155-F158 HydrophobicContact CD1-CE2 3.96Å; I155-F158 HydrophobicContact CG1-CD2 4.34Å; I155-F158 HydrophobicContact CG2-CD2 3.86Å; I155-F158 HydrophobicContact CG2-CE2 4.16Å; I155-F158 HydrophobicContact CG2-CG 4.39Å; I155-F158 PolarHBondContact O-N 3.41Å; I155-K159 WeakPolarHBondContact O-CG 3.13Å; I155-K159 PolarHBondContact O-N 2.92Å; I155-F194 HydrophobicContact CD1-CE1 4.22Å; I155-F194 HydrophobicContact CD1-CE2 3.91Å; I155-F194 HydrophobicContact CD1-CZ 3.29Å; I155-S223 WeakPolarHBondContact CD1-OG 3.31Å; I155-E226 HydrophobicContact CG2-CB 4.43Å
156L82.6Confident85.7Confident136 Ų13669.2 Ų69.271%0.71235%0.351SS*.Hα-helixtrans-50.7-40.3-174.9-17965.2000113.4F158L156-F158 PolarHBondContact O-N 3.42Å
157L83.9Confident85.7Confident39 Ų3966.3 Ų66.320%0.20434%0.338CS..Hα-helixtrans-70.1-19.9-179.4-63.2179.2000113.7I155 E226 L229 M230 F255I155-L157 HydrophobicContact CG2-CB 4.49Å; I155-L157 PolarHBondContact O-N 2.9Å; I155-L157 VanDerWaalsContact O-N 3.09Å; L157-E226 WeakPolarHBondContact CD1-O 3.26Å; L157-L229 HydrophobicContact CD1-CB 3.68Å; L157-L229 HydrophobicContact CD1-CD1 4.01Å; L157-L229 HydrophobicContact CD1-CG 4.4Å; L157-M230 HydrophobicContact CD1-CG 4.06Å; L157-M230 HydrophobicContact CD2-CG 3.81Å; L157-M230 HydrophobicContact CD2-SD 4Å; L157-F255 HydrophobicContact CB-CE1 4.48Å; L157-F255 HydrophobicContact CB-CZ 4.06Å; L157-F255 HydrophobicContact CD1-CE1 4.41Å
158F85.8Confident85.8Confident2 Ų263.9 Ų63.91%0.00933%0.331CS..Hα-helixtrans-108.2-19.1-176-57.9-30.6000113.4C152 I155 L156 N160 L161 M166 V169 F194 L229 L250 F255C152-F158 HydrophobicContact CB-CB 4.49Å; C152-F158 HydrophobicContact CB-CD2 3.57Å; C152-F158 HydrophobicContact CB-CE2 4.17Å; C152-F158 HydrophobicContact CB-CG 4.38Å; C152-F158 WeakPolarHBondContact O-CB 3.49Å; I155-F158 HydrophobicContact CB-CB 4.43Å; I155-F158 HydrophobicContact CB-CD2 3.73Å; I155-F158 HydrophobicContact CB-CE2 4.38Å; I155-F158 HydrophobicContact CB-CG 4.35Å; I155-F158 HydrophobicContact CD1-CD2 3.96Å; I155-F158 HydrophobicContact CD1-CE2 3.96Å; I155-F158 HydrophobicContact CG1-CD2 4.34Å; I155-F158 HydrophobicContact CG2-CD2 3.86Å; I155-F158 HydrophobicContact CG2-CE2 4.16Å; I155-F158 HydrophobicContact CG2-CG 4.39Å; I155-F158 PolarHBondContact O-N 3.41Å; L156-F158 PolarHBondContact O-N 3.42Å; F158-N160 PolarHBondContact O-N 3.42Å; F158-N160 VanDerWaalsContact O-N 3.17Å; F158-L161 HydrophobicContact CB-CD1 4.33Å; F158-L161 HydrophobicContact CD1-CD1 3.77Å; F158-L161 HydrophobicContact CG-CD1 4.45Å; F158-L161 PolarHBondContact O-N 3.48Å; F158-M166 HydrophobicContact CB-CE 3.87Å; F158-V169 HydrophobicContact CE1-CG1 4.02Å; F158-V169 HydrophobicContact CZ-CG1 4.31Å; F158-F194 HydrophobicContact CE2-CD1 4.15Å; F158-F194 AromaticContact CE2-CE1 3.46Å; F158-F194 HydrophobicContact CE2-CE1 3.46Å; F158-F194 VanDerWaalsContact CE2-CE1 3.46Å; F158-F194 AromaticContact CE2-CZ 3.95Å; F158-F194 HydrophobicContact CE2-CZ 3.95Å; F158-F194 AromaticContact CZ-CD1 3.95Å; F158-F194 HydrophobicContact CZ-CD1 3.95Å; F158-F194 AromaticContact CZ-CE1 3.73Å; F158-F194 HydrophobicContact CZ-CE1 3.73Å; F158-L229 HydrophobicContact CE1-CD1 4.2Å; F158-L229 HydrophobicContact CZ-CD1 3.98Å; F158-L250 HydrophobicContact CE1-CD2 4.28Å; F158-L250 HydrophobicContact CZ-CD2 4.06Å; F158-F255 AromaticContact CD1-CE2 3.81Å; F158-F255 HydrophobicContact CD1-CE2 3.81Å; F158-F255 HydrophobicContact CD1-CZ 4.26Å; F158-F255 AromaticContact CE1-CD2 3.89Å; F158-F255 HydrophobicContact CE1-CD2 3.89Å; F158-F255 AromaticContact CE1-CE2 3.39Å; F158-F255 HydrophobicContact CE1-CE2 3.39Å; F158-F255 HydrophobicContact CE1-CZ 4.01Å
159K80.6Confident85.8Confident110 Ų11063.8 Ų63.848%0.47833%0.331SS..Hα-helixtrans-53.3-36179.6-83.7-177.7179.4179.10114.3K153 D154 I155K153-K159 WeakPolarHBondContact O-CG 3.32Å; D154-K159 VanDerWaalsContact CA-CE 3.45Å; D154-K159 WeakPolarHBondContact O-CE 3.41Å; D154-K159 PolarHBondContact O-NZ 3.08Å; I155-K159 WeakPolarHBondContact O-CG 3.13Å; I155-K159 PolarHBondContact O-N 2.92Å
160N78.9Confident85.9Confident146 Ų14660.1 Ų60.178%0.78131%0.314SS*.THydrogen-bonded Turntrans-104.310-172.1-67.240.1000112.7F158F158-N160 PolarHBondContact O-N 3.42Å; F158-N160 VanDerWaalsContact O-N 3.17Å
161L84.8Confident86.2Confident28 Ų2855.7 Ų55.715%0.14729%0.294CS..  trans-78138176.1-61.2-174.6000110.4F158 Q165 M166 V169 F255 I259F158-L161 HydrophobicContact CB-CD1 4.33Å; F158-L161 HydrophobicContact CD1-CD1 3.77Å; F158-L161 HydrophobicContact CG-CD1 4.45Å; F158-L161 PolarHBondContact O-N 3.48Å; L161-Q165 HydrophobicContact CB-CB 4.05Å; L161-Q165 HydrophobicContact CD2-CB 4.36Å; L161-M166 HydrophobicContact CB-CE 4.48Å; L161-V169 HydrophobicContact CD1-CG2 4.03Å; L161-F255 HydrophobicContact CD1-CE2 4.35Å; L161-I259 HydrophobicContact CD1-CD1 3.95Å; L161-I259 HydrophobicContact CD2-CD1 3.33Å; L161-I259 HydrophobicContact CD2-CG1 4.27Å; L161-I259 HydrophobicContact CG-CD1 4.29Å
162D83.1Confident86.5Confident31 Ų3154 Ų5417%0.16628%0.28CS..  trans-71.9163.1170.566.742.5000111.4E164 Q165 M166 K266D162-E164 PolarHBondContact O-N 2.97Å; D162-E164 VanDerWaalsContact O-N 3.16Å; D162-E164 PolarHBondContact OD1-N 3.48Å; D162-Q165 PolarHBondContact O-N 3.43Å; D162-Q165 VanDerWaalsContact O-N 3.17Å; D162-Q165 WeakPolarHBondContact OD1-CB 3.31Å; D162-Q165 VanDerWaalsContact OD1-CG 3.24Å; D162-Q165 WeakPolarHBondContact OD1-CG 3.5Å; D162-Q165 PolarHBondContact OD1-N 2.87Å; D162-M166 WeakPolarHBondContact O-CB 3.19Å; D162-M166 PolarHBondContact O-N 2.92Å; D162-K266 IonicContact OD2-NZ 3.43Å; D162-K266 PolarHBondContact OD2-NZ 3.37Å
163P85.2Confident86.8Confident113 Ų11354 Ų5473%0.73428%0.28SS*.Hα-helixtrans-58.3-30.8-175.3-27.636.3000114.1S167P163-S167 WeakPolarHBondContact O-CB 3.38Å; P163-S167 PolarHBondContact O-N 3.29Å
164E85.4Confident87.3Confident137 Ų13751.5 Ų51.564%0.6427%0.269SS*.Hα-helixtrans-72.2-45.7177.7-65.7-178.2-169.400111.2D162 S167 Q168D162-E164 PolarHBondContact O-N 2.97Å; D162-E164 VanDerWaalsContact O-N 3.16Å; D162-E164 PolarHBondContact OD1-N 3.48Å; E164-S167 PolarHBondContact O-N 3.26Å; E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 2.87Å
165Q88Confident88Confident5 Ų549.3 Ų49.32%0.02326%0.255CS..Hα-helixtrans-60.2-47173.7-72.4173.8-14.700111.2L161 D162 S167 Q168 V169 N262 N263L161-Q165 HydrophobicContact CB-CB 4.05Å; L161-Q165 HydrophobicContact CD2-CB 4.36Å; D162-Q165 PolarHBondContact O-N 3.43Å; D162-Q165 VanDerWaalsContact O-N 3.17Å; D162-Q165 WeakPolarHBondContact OD1-CB 3.31Å; D162-Q165 VanDerWaalsContact OD1-CG 3.24Å; D162-Q165 WeakPolarHBondContact OD1-CG 3.5Å; D162-Q165 PolarHBondContact OD1-N 2.87Å; Q165-S167 VanDerWaalsContact C-N 3.33Å; Q165-S167 PolarHBondContact O-N 3.35Å; Q165-Q168 WeakPolarHBondContact O-CB 3.24Å; Q165-Q168 PolarHBondContact O-N 2.82Å; Q165-Q168 VanDerWaalsContact O-N 3.12Å; Q165-V169 WeakPolarHBondContact O-CG2 3.38Å; Q165-V169 PolarHBondContact O-N 3.3Å; Q165-N262 HydrophobicContact CG-CB 3.87Å; Q165-N262 WeakPolarHBondContact CG-OD1 3.3Å; Q165-N262 PolarHBondContact NE2-OD1 3.34Å; Q165-N263 PolarHBondContact NE2-OD1 2.71Å
166M90.1Very high88.5Confident19 Ų1951 Ų519%0.09426%0.262CS..Hα-helixtrans-57.8-46.8175.8179.96369.900110.6F158 L161 D162 Q168 V169 L170F158-M166 HydrophobicContact CB-CE 3.87Å; L161-M166 HydrophobicContact CB-CE 4.48Å; D162-M166 WeakPolarHBondContact O-CB 3.19Å; D162-M166 PolarHBondContact O-N 2.92Å; M166-Q168 VanDerWaalsContact C-N 3.31Å; M166-Q168 PolarHBondContact O-N 2.86Å; M166-V169 PolarHBondContact O-N 2.73Å; M166-L170 HydrophobicContact CG-CD1 4.05Å; M166-L170 HydrophobicContact CG-CG 4.35Å; M166-L170 WeakPolarHBondContact O-CB 3.44Å; M166-L170 VanDerWaalsContact O-CG 3.23Å; M166-L170 WeakPolarHBondContact O-CG 3.36Å; M166-L170 PolarHBondContact O-N 2.92Å; M166-L170 HydrophobicContact SD-CD1 4.33Å; M166-L170 HydrophobicContact SD-CD2 4.42Å; M166-L170 HydrophobicContact SD-CG 4.16Å
167S90.6Very high89.2Confident35 Ų3549.8 Ų49.825%0.24526%0.255CS..Hα-helixtrans-58.8-41.6175.5176.50000112.4R145 P163 E164 Q165 D171R145-S167 PolarHBondContact NH2-OG 3.28Å; P163-S167 WeakPolarHBondContact O-CB 3.38Å; P163-S167 PolarHBondContact O-N 3.29Å; E164-S167 PolarHBondContact O-N 3.26Å; Q165-S167 VanDerWaalsContact C-N 3.33Å; Q165-S167 PolarHBondContact O-N 3.35Å; S167-D171 PolarHBondContact O-N 3.04Å
168Q90.3Very high89.8Confident49 Ų4948.2 Ų48.223%0.22925%0.247CC..Hα-helixtrans-65.2-43178.3-74.9172.82.900112R135 E164 Q165 M166 D171 A172 I258 N262R135-Q168 VanDerWaalsContact CZ-CG 3.42Å; R135-Q168 VanDerWaalsContact NH2-CG 3.32Å; E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 2.87Å; Q165-Q168 WeakPolarHBondContact O-CB 3.24Å; Q165-Q168 PolarHBondContact O-N 2.82Å; Q165-Q168 VanDerWaalsContact O-N 3.12Å; M166-Q168 VanDerWaalsContact C-N 3.31Å; M166-Q168 PolarHBondContact O-N 2.86Å; Q168-D171 PolarHBondContact O-N 3.33Å; Q168-A172 PolarHBondContact O-N 3.32Å; Q168-A172 VanDerWaalsContact O-N 3.13Å; Q168-I258 HydrophobicContact CB-CG2 3.7Å; Q168-N262 PolarHBondContact OE1-ND2 3.31Å
169V91.8Very high90.4Very high1 Ų155.6 Ų55.61%0.00628%0.279CS..Hα-helixtrans-61.3-49.8175.9170.50000110.4F158 L161 Q165 M166 D171 A172 M173 L250 F255 I258 I259F158-V169 HydrophobicContact CE1-CG1 4.02Å; F158-V169 HydrophobicContact CZ-CG1 4.31Å; L161-V169 HydrophobicContact CD1-CG2 4.03Å; Q165-V169 WeakPolarHBondContact O-CG2 3.38Å; Q165-V169 PolarHBondContact O-N 3.3Å; M166-V169 PolarHBondContact O-N 2.73Å; V169-D171 VanDerWaalsContact C-N 3.28Å; V169-D171 PolarHBondContact O-N 3.38Å; V169-A172 PolarHBondContact O-N 3.22Å; V169-A172 VanDerWaalsContact O-N 3.14Å; V169-M173 VanDerWaalsContact O-CG 3.32Å; V169-M173 WeakPolarHBondContact O-CG 3.4Å; V169-M173 PolarHBondContact O-N 3.37Å; V169-L250 HydrophobicContact CG1-CD2 3.69Å; V169-F255 HydrophobicContact CG2-CD2 4.06Å; V169-F255 HydrophobicContact CG2-CE2 4.19Å; V169-I258 HydrophobicContact CG2-CD1 4.47Å; V169-I258 HydrophobicContact CG2-CG2 4.03Å; V169-I259 HydrophobicContact CG2-CD1 4.25Å
170L92.8Very high91.2Very high3 Ų355.5 Ų55.52%0.01628%0.284CS..Hα-helixtrans-60.2-37.6179.2-66.7175.8000112.1K140 R145 L148 Q149 M166 A172 M173K140-L170 WeakPolarHBondContact CE-O 3.39Å; K140-L170 PolarHBondContact NZ-O 3.49Å; R145-L170 HydrophobicContact CG-CD1 4.29Å; L148-L170 HydrophobicContact CB-CD2 4.15Å; L148-L170 HydrophobicContact CD2-CD2 3.66Å; L148-L170 HydrophobicContact CG-CD2 3.5Å; Q149-L170 HydrophobicContact CB-CD1 4.09Å; Q149-L170 HydrophobicContact CG-CD1 4.39Å; M166-L170 HydrophobicContact CG-CD1 4.05Å; M166-L170 HydrophobicContact CG-CG 4.35Å; M166-L170 WeakPolarHBondContact O-CB 3.44Å; M166-L170 VanDerWaalsContact O-CG 3.23Å; M166-L170 WeakPolarHBondContact O-CG 3.36Å; M166-L170 PolarHBondContact O-N 2.92Å; M166-L170 HydrophobicContact SD-CD1 4.33Å; M166-L170 HydrophobicContact SD-CD2 4.42Å; M166-L170 HydrophobicContact SD-CG 4.16Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-M173 HydrophobicContact CD2-SD 4.46Å; L170-M173 PolarHBondContact O-N 2.71Å
171D92.7Very high91.9Very high24 Ų2450.8 Ų50.813%0.12827%0.27CS..Hα-helixtrans-66.7-38.3177.9-65.3-11.2000111.6R135 I136 I137 H138 K140 R145 S167 Q168 V169 M173R135-D171 IonicContact CZ-OD2 3.07Å; R135-D171 VanDerWaalsContact CZ-OD2 3.31Å; R135-D171 IonicContact NE-OD2 2.91Å; R135-D171 PolarHBondContact NE-OD2 2.91Å; R135-D171 IonicContact NH2-OD2 3.66Å; R135-D171 PolarHBondContact NH2-OD2 3.28Å; I136-D171 CarbonylContact O-C 3.56Å; I137-D171 HydrophobicContact CG1-CB 4.3Å; I137-D171 HydrophobicContact CG2-CB 4.42Å; H138-D171 PolarHBondContact N-O 3.45Å; K140-D171 PolarHBondContact NZ-O 2.81Å; R145-D171 IonicContact CZ-OD1 3.71Å; R145-D171 IonicContact NH2-OD1 2.6Å; R145-D171 PolarHBondContact NH2-OD1 3.47Å; R145-D171 IonicContact NH2-OD2 3.21Å; S167-D171 PolarHBondContact O-N 3.04Å; Q168-D171 PolarHBondContact O-N 3.33Å; V169-D171 VanDerWaalsContact C-N 3.28Å; V169-D171 PolarHBondContact O-N 3.38Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 3.12Å
172A93.1Very high92.5Very high3 Ų352.5 Ų52.53%0.02528%0.277CS..Hα-helixtrans-73.7-16.2179.900000114.5I136 H138 Q168 V169 L170 F174 L250 T254 I258I136-A172 WeakPolarHBondContact O-CA 3.45Å; I136-A172 PolarHBondContact O-N 2.8Å; H138-A172 PolarHBondContact CD2-O 2.89Å; Q168-A172 PolarHBondContact O-N 3.32Å; Q168-A172 VanDerWaalsContact O-N 3.13Å; V169-A172 PolarHBondContact O-N 3.22Å; V169-A172 VanDerWaalsContact O-N 3.14Å; L170-A172 VanDerWaalsContact C-N 3.34Å; A172-F174 PolarHBondContact O-N 2.94Å; A172-L250 HydrophobicContact CB-CD1 4.11Å; A172-T254 HydrophobicContact CB-CG2 3.63Å; A172-I258 HydrophobicContact CB-CD1 3.78Å
173M94.3Very high93.1Very high0 Ų055.7 Ų55.70%029%0.291CS..PPolyproline II helixtrans-68.7130.1178.5-59-167.275.800111.5H138 K140 L148 V169 L170 D171 F194 V196 W248 G249 L250H138-M173 VanDerWaalsContact CB-O 3.27Å; H138-M173 WeakPolarHBondContact CB-O 3.34Å; K140-M173 WeakPolarHBondContact CE-O 3.45Å; K140-M173 PolarHBondContact NZ-O 2.96Å; L148-M173 HydrophobicContact CD1-CE 4.1Å; L148-M173 HydrophobicContact CD1-SD 3.77Å; L148-M173 HydrophobicContact CD2-CB 4.31Å; L148-M173 HydrophobicContact CD2-CG 4.42Å; L148-M173 HydrophobicContact CD2-SD 3.65Å; L148-M173 HydrophobicContact CG-SD 3.94Å; V169-M173 VanDerWaalsContact O-CG 3.32Å; V169-M173 WeakPolarHBondContact O-CG 3.4Å; V169-M173 PolarHBondContact O-N 3.37Å; L170-M173 HydrophobicContact CD2-SD 4.46Å; L170-M173 PolarHBondContact O-N 2.71Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 3.12Å; M173-F194 HydrophobicContact CE-CD1 4.25Å; M173-F194 HydrophobicContact CE-CE1 4.07Å; M173-V196 HydrophobicContact CE-CB 4.47Å; M173-V196 HydrophobicContact CE-CG2 3.93Å; M173-W248 HydrophobicContact CB-CB 4.36Å; M173-W248 HydrophobicContact CB-CE3 4.37Å; M173-W248 HydrophobicContact CE-CB 3.75Å; M173-W248 WeakPolarHBondContact CE-O 3.33Å; M173-W248 HydrophobicContact SD-CB 4.45Å; M173-G249 CarbonylContact C-O 3.42Å; M173-G249 WeakPolarHBondContact CA-O 3.43Å; M173-L250 HydrophobicContact CE-CB 4.07Å; M173-L250 HydrophobicContact CG-CB 4.15Å; M173-L250 HydrophobicContact CG-CD1 4.23Å
174F94.3Very high93.6Very high54 Ų5450.8 Ų50.824%0.23726%0.259CS..EExtended strand (participates in β ladder)trans-102.4149.818060.6-92.7000111.9A172 W248 G249A172-F174 PolarHBondContact O-N 2.94Å; F174-W248 CarbonylContact O-C 3.59Å; F174-W248 WeakPolarHBondContact O-CA 3.1Å; F174-G249 VanDerWaalsContact CD1-O 3.3Å; F174-G249 WeakPolarHBondContact CD1-O 3.34Å; F174-G249 PolarHBondContact N-O 3.42Å; F174-G249 PolarHBondContact O-N 3.31Å
175E95.4Very high94Very high86 Ų8645.2 Ų45.240%0.40223%0.233SC..EExtended strand (participates in β ladder)trans-80.3132.5176.5-168.2175.8-161.400110.3L177 R199 L247 W248E175-L177 HydrophobicContact CG-CD2 4.21Å; E175-L177 WeakPolarHBondContact OE1-CD2 3.25Å; E175-R199 IonicContact OE1-NH1 2.65Å; E175-R199 IonicContact OE1-NH2 2.63Å; E175-L247 CarbonylContact C-O 3.56Å; E175-L247 WeakPolarHBondContact CA-O 3.48Å; E175-W248 HydrophobicContact CB-CE3 4.19Å; E175-W248 HydrophobicContact CB-CH2 3.95Å; E175-W248 HydrophobicContact CB-CZ3 3.66Å; E175-W248 HydrophobicContact CG-CH2 4.43Å; E175-W248 HydrophobicContact CG-CZ3 4.48Å
176K95.7Very high94.3Very high51 Ų5147.6 Ų47.622%0.22225%0.246CC..EExtended strand (participates in β ladder)trans-120.1109.3169.8-179.7179.1177.4178.70108.7V178 V184 Y195 A246 L247K176-V178 HydrophobicContact CG-CG1 4.24Å; K176-V184 PolarHBondContact NZ-O 2.85Å; K176-Y195 HydrophobicContact CD-CE1 3.73Å; K176-A246 WeakPolarHBondContact O-CA 3.36Å; K176-L247 HydrophobicContact CB-CB 4.41Å; K176-L247 PolarHBondContact N-O 2.91Å; K176-L247 PolarHBondContact O-N 3.19Å
177L96.5Very high94.4Very high109 Ų10949.9 Ų49.957%0.57126%0.256SS*.EExtended strand (participates in β ladder)trans-79.8139.7171.5-59.9179.2000109.6E175 A246E175-L177 HydrophobicContact CG-CD2 4.21Å; E175-L177 WeakPolarHBondContact OE1-CD2 3.25Å; L177-A246 HydrophobicContact CD2-CB 3.75Å
178V97.2Very high94.4Very high6 Ų650.5 Ų50.54%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-130.2146.2-179.1-63.10000110.9K176 E182 V184 Y202 A241 P244 G245 L247K176-V178 HydrophobicContact CG-CG1 4.24Å; V178-E182 WeakPolarHBondContact CA-OE2 3.23Å; V178-V184 HydrophobicContact CG1-CG2 4.2Å; V178-Y202 HydrophobicContact CG2-CE1 3.83Å; V178-Y202 WeakPolarHBondContact CG2-OH 3.38Å; V178-A241 HydrophobicContact CB-CB 4.46Å; V178-A241 HydrophobicContact CG2-CB 4.1Å; V178-P244 WeakPolarHBondContact O-CA 3.46Å; V178-G245 WeakPolarHBondContact CG2-O 3.3Å; V178-G245 PolarHBondContact N-O 3.45Å; V178-G245 PolarHBondContact O-N 3.43Å; V178-L247 HydrophobicContact CG1-CD1 4.05Å
179K97.8Very high94.4Very high158 Ų15852.3 Ų52.369%0.68728%0.279SS*.  trans-94.8160.6176.3-62.2175.3-174171.30110.8G181 E182 A241K179-G181 PolarHBondContact O-N 3.12Å; K179-E182 HydrophobicContact CB-CB 4.45Å; K179-E182 PolarHBondContact N-OE2 2.87Å; K179-E182 WeakPolarHBondContact O-CB 3.48Å; K179-E182 PolarHBondContact O-N 3.17Å; K179-E182 VanDerWaalsContact O-N 3.07Å; K179-A241 WeakPolarHBondContact O-CB 3.38Å
180D97.2Very high94.1Very high107 Ų10757.2 Ų57.257%0.57231%0.305SS*.THydrogen-bonded Turntrans-58.7134.1170.4-176.534.6000111E182 T242 S243D180-E182 VanDerWaalsContact C-N 3.27Å; D180-E182 PolarHBondContact O-N 2.89Å; D180-T242 VanDerWaalsContact OD1-CA 3.3Å; D180-T242 WeakPolarHBondContact OD1-CA 3.43Å; D180-S243 PolarHBondContact OD1-N 3.3Å
181G94.6Very high93.5Very high47 Ų4757 Ų5749%0.48531%0.305SS..THydrogen-bonded Turntrans76.80.4-173.400000115.5K179 A241K179-G181 PolarHBondContact O-N 3.12Å; G181-A241 WeakPolarHBondContact CA-O 3.42Å; G181-A241 PolarHBondContact N-O 2.87Å
182E96.8Very high92.9Very high65 Ų6560.2 Ų60.230%0.30432%0.322SS..  trans-76.4133-179.5-169.9178.815200111.7V178 K179 D180 V184 A241V178-E182 WeakPolarHBondContact CA-OE2 3.23Å; K179-E182 HydrophobicContact CB-CB 4.45Å; K179-E182 PolarHBondContact N-OE2 2.87Å; K179-E182 WeakPolarHBondContact O-CB 3.48Å; K179-E182 PolarHBondContact O-N 3.17Å; K179-E182 VanDerWaalsContact O-N 3.07Å; D180-E182 VanDerWaalsContact C-N 3.27Å; D180-E182 PolarHBondContact O-N 2.89Å; E182-V184 PolarHBondContact O-N 3.25Å; E182-A241 PolarHBondContact O-N 3.17Å
183H95.9Very high92.8Very high98 Ų9861.7 Ų61.745%0.45433%0.329SS..EExtended strand (participates in β ladder)trans-80115.8173.2-70.9-149.7000109.4D186H183-D186 IonicContact CE1-OD1 3.41Å; H183-D186 IonicContact CG-OD1 2.71Å; H183-D186 IonicContact ND1-OD1 2.83Å; H183-D186 PolarHBondContact ND1-OD1 2.8Å; H183-D186 IonicContact ND1-OD2 2.89Å
184V95.3Very high92.8Very high9 Ų961.7 Ų61.76%0.05533%0.329CS..EExtended strand (participates in β ladder)trans-76.2-43.4179.2-175.20000110.8K176 V178 E182 Y195 Y202 F224 I239 L247K176-V184 PolarHBondContact NZ-O 2.85Å; V178-V184 HydrophobicContact CG1-CG2 4.2Å; E182-V184 PolarHBondContact O-N 3.25Å; V184-Y195 HydrophobicContact CG1-CD2 4.26Å; V184-Y195 HydrophobicContact CG1-CE2 4.27Å; V184-Y202 HydrophobicContact CG2-CD1 3.97Å; V184-Y202 HydrophobicContact CG2-CE1 3.86Å; V184-F224 HydrophobicContact CB-CZ 4.48Å; V184-F224 HydrophobicContact CG1-CE2 3.92Å; V184-F224 HydrophobicContact CG1-CZ 3.93Å; V184-I239 HydrophobicContact CB-CB 4.35Å; V184-I239 HydrophobicContact CB-CG2 4.34Å; V184-I239 HydrophobicContact CG2-CG2 4.31Å; V184-I239 PolarHBondContact N-O 2.98Å; V184-L247 HydrophobicContact CB-CD1 4.29Å; V184-L247 HydrophobicContact CG1-CD1 3.34Å; V184-L247 HydrophobicContact CG2-CD1 3.93Å
185I94.4Very high92.8Very high20 Ų2059.8 Ų59.810%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-145.6148.4174.956.2167.6000108.7Y195 F224 R235 T238 I239I185-Y195 HydrophobicContact CG2-CD2 4.28Å; I185-Y195 HydrophobicContact CG2-CE2 3.79Å; I185-F224 HydrophobicContact CD1-CD2 3.91Å; I185-F224 HydrophobicContact CD1-CE2 4.27Å; I185-F224 HydrophobicContact CG1-CD2 4.47Å; I185-F224 HydrophobicContact CG1-CE2 4.36Å; I185-R235 HydrophobicContact CB-CG 4.3Å; I185-R235 HydrophobicContact CD1-CG 4.35Å; I185-T238 CarbonylContact O-C 3.5Å; I185-T238 VanDerWaalsContact O-CA 3.28Å; I185-T238 WeakPolarHBondContact O-CA 3.29Å; I185-I239 HydrophobicContact CD1-CB 4.42Å; I185-I239 HydrophobicContact CD1-CG1 3.62Å; I185-I239 HydrophobicContact CG1-CB 3.74Å; I185-I239 HydrophobicContact CG1-CG1 3.49Å; I185-I239 VanDerWaalsContact CG1-CG1 3.49Å; I185-I239 PolarHBondContact O-N 2.8Å
186D93.8Very high92.8Very high55 Ų5555.7 Ų55.729%0.29430%0.301SS..  trans-114140.7176-77.1-67000111.5H183 G188 D189 R235 T238H183-D186 IonicContact CE1-OD1 3.41Å; H183-D186 IonicContact CG-OD1 2.71Å; H183-D186 IonicContact ND1-OD1 2.83Å; H183-D186 PolarHBondContact ND1-OD1 2.8Å; H183-D186 IonicContact ND1-OD2 2.89Å; D186-G188 PolarHBondContact O-N 3.44Å; D186-D189 WeakPolarHBondContact O-CB 3.42Å; D186-D189 PolarHBondContact O-N 3.46Å; D186-R235 WeakPolarHBondContact O-CB 3.47Å; D186-R235 WeakPolarHBondContact O-CG 3.38Å; D186-T238 WeakPolarHBondContact CA-OG1 3.37Å; D186-T238 WeakPolarHBondContact OD1-CG2 3.48Å
187Q92.8Very high92.7Very high68 Ų6853.8 Ų53.832%0.31829%0.293SS..THydrogen-bonded Turntrans-61.9131.4177.9-177.7179.8-10.100110.9D189 K207 R235 T238Q187-D189 VanDerWaalsContact C-N 3.34Å; Q187-K207 PolarHBondContact NE2-O 3.18Å; Q187-K207 VanDerWaalsContact NE2-O 3.12Å; Q187-R235 WeakPolarHBondContact CA-O 3.22Å; Q187-R235 WeakPolarHBondContact CG-O 3.19Å; Q187-T238 PolarHBondContact N-OG1 3.17Å
188G90Very high92.5Very high47 Ų4749.5 Ų49.549%0.48527%0.271SS..THydrogen-bonded Turntrans93.4-16.8-178.200000114.1D186 R235D186-G188 PolarHBondContact O-N 3.44Å; G188-R235 PolarHBondContact N-O 3.28Å
189D89.4Confident92.2Very high88 Ų8854.1 Ų54.147%0.47129%0.288SS..SBendtrans-70.2155.2176.8-74.25.1000111.5D186 Q187 P234 R235D186-D189 WeakPolarHBondContact O-CB 3.42Å; D186-D189 PolarHBondContact O-N 3.46Å; Q187-D189 VanDerWaalsContact C-N 3.34Å; D189-P234 CarbonylContact O-C 3.58Å; D189-P234 VanDerWaalsContact O-CA 3.28Å; D189-P234 WeakPolarHBondContact O-CA 3.39Å; D189-R235 WeakPolarHBondContact O-CG 3.03Å; D189-R235 PolarHBondContact O-N 2.83Å
190D86.1Confident92.1Very high103 Ų10346.8 Ų46.855%0.55126%0.257SS*.  trans-63.4136.8175.1-71.7-33000111.1D192D190-D192 PolarHBondContact O-N 2.85Å
191G80.7Confident92.1Very high0 Ų043.6 Ų43.60%024%0.241CC..  trans-91103.3-177.800000111.7A228 T233 R252G191-A228 WeakPolarHBondContact O-CB 3.46Å; G191-T233 PolarHBondContact N-O 3.13Å; G191-R252 PolarHBondContact O-NH2 3.5Å
192D80.6Confident92.3Very high91 Ų9141.3 Ų41.349%0.48722%0.218SC..  trans-103.7-31.4178.4-59.3-26000114D190 R252D190-D192 PolarHBondContact O-N 2.85Å; D192-R252 PolarHBondContact O-N 2.94Å
193N90.6Very high92.3Very high33 Ų3340 Ų4018%0.17621%0.213CC..EExtended strand (participates in β ladder)trans-122.8147.9-171.2-60.8-42.9000112.6Y195 R235 L250 D251N193-Y195 HydrophobicContact CB-CE1 4.2Å; N193-Y195 HydrophobicContact CB-CE2 3.82Å; N193-Y195 PolarHBondContact ND2-OH 2.86Å; N193-R235 VanDerWaalsContact O-CZ 3.31Å; N193-R235 PolarHBondContact O-NH1 3.49Å; N193-R235 PolarHBondContact O-NH2 2.88Å; N193-L250 CarbonylContact C-O 3.59Å; N193-L250 VanDerWaalsContact CA-O 3.29Å; N193-L250 WeakPolarHBondContact CA-O 3.17Å; N193-D251 VanDerWaalsContact OD1-CA 3.27Å; N193-D251 WeakPolarHBondContact OD1-CA 3.36Å; N193-D251 WeakPolarHBondContact OD1-CB 3.28Å
194F93.2Very high92.4Very high0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-101.2141.3163.9159.9-104000109.4I155 F158 M173 V196 F224 E226 L229 G249 L250I155-F194 HydrophobicContact CD1-CE1 4.22Å; I155-F194 HydrophobicContact CD1-CE2 3.91Å; I155-F194 HydrophobicContact CD1-CZ 3.29Å; F158-F194 HydrophobicContact CE2-CD1 4.15Å; F158-F194 AromaticContact CE2-CE1 3.46Å; F158-F194 HydrophobicContact CE2-CE1 3.46Å; F158-F194 VanDerWaalsContact CE2-CE1 3.46Å; F158-F194 AromaticContact CE2-CZ 3.95Å; F158-F194 HydrophobicContact CE2-CZ 3.95Å; F158-F194 AromaticContact CZ-CD1 3.95Å; F158-F194 HydrophobicContact CZ-CD1 3.95Å; F158-F194 AromaticContact CZ-CE1 3.73Å; F158-F194 HydrophobicContact CZ-CE1 3.73Å; M173-F194 HydrophobicContact CE-CD1 4.25Å; M173-F194 HydrophobicContact CE-CE1 4.07Å; F194-V196 HydrophobicContact CD1-CG2 4.47Å; F194-V196 HydrophobicContact CE1-CG2 3.35Å; F194-V196 HydrophobicContact CE2-CG2 4.44Å; F194-V196 HydrophobicContact CZ-CG2 3.32Å; F194-F224 WeakPolarHBondContact CD2-O 3.45Å; F194-E226 HydrophobicContact CD2-CB 3.86Å; F194-E226 HydrophobicContact CE2-CB 4.05Å; F194-L229 HydrophobicContact CB-CD1 3.64Å; F194-L229 HydrophobicContact CB-CD2 3.82Å; F194-L229 HydrophobicContact CB-CG 3.58Å; F194-L229 HydrophobicContact CD1-CD1 4.01Å; F194-L229 HydrophobicContact CG-CD1 3.87Å; F194-L229 HydrophobicContact CG-CG 4.33Å; F194-G249 CarbonylContact O-C 3.49Å; F194-G249 VanDerWaalsContact O-CA 3.3Å; F194-G249 WeakPolarHBondContact O-CA 3.43Å; F194-L250 HydrophobicContact CD1-CB 4.28Å; F194-L250 PolarHBondContact N-O 2.92Å; F194-L250 PolarHBondContact O-N 3.21Å
195Y94.8Very high92.3Very high14 Ų1440.5 Ų40.56%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-124.9138-178.1-61.6-77.6000112.2K176 V184 I185 N193 S223 F224 L247 W248K176-Y195 HydrophobicContact CD-CE1 3.73Å; V184-Y195 HydrophobicContact CG1-CD2 4.26Å; V184-Y195 HydrophobicContact CG1-CE2 4.27Å; I185-Y195 HydrophobicContact CG2-CD2 4.28Å; I185-Y195 HydrophobicContact CG2-CE2 3.79Å; N193-Y195 HydrophobicContact CB-CE1 4.2Å; N193-Y195 HydrophobicContact CB-CE2 3.82Å; N193-Y195 PolarHBondContact ND2-OH 2.86Å; Y195-S223 CarbonylContact O-C 3.55Å; Y195-S223 VanDerWaalsContact O-CA 3.22Å; Y195-S223 WeakPolarHBondContact O-CA 3.32Å; Y195-S223 WeakPolarHBondContact O-CB 3.5Å; Y195-F224 HydrophobicContact CD2-CD2 4.25Å; Y195-F224 AromaticContact CD2-CE2 3.67Å; Y195-F224 HydrophobicContact CD2-CE2 3.67Å; Y195-F224 HydrophobicContact CD2-CZ 4.47Å; Y195-F224 HydrophobicContact CG-CE2 4.02Å; Y195-F224 HydrophobicContact CG-CZ 4.41Å; Y195-F224 PolarHBondContact N-O 3.45Å; Y195-F224 PolarHBondContact O-N 3.23Å; Y195-L247 HydrophobicContact CD1-CB 4.23Å; Y195-L247 HydrophobicContact CD1-CD1 4.36Å; Y195-W248 CarbonylContact C-O 3.55Å; Y195-W248 VanDerWaalsContact CA-O 3.31Å; Y195-W248 WeakPolarHBondContact CA-O 3.35Å
196V94.6Very high92.3Very high1 Ų141.1 Ų41.11%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-113.8135.6168.5-178.20000109L148 A151 M173 F194 L247 W248L148-V196 HydrophobicContact CD1-CB 3.82Å; L148-V196 HydrophobicContact CD1-CG1 3.82Å; L148-V196 HydrophobicContact CD1-CG2 4.03Å; A151-V196 HydrophobicContact CB-CG1 3.55Å; M173-V196 HydrophobicContact CE-CB 4.47Å; M173-V196 HydrophobicContact CE-CG2 3.93Å; F194-V196 HydrophobicContact CD1-CG2 4.47Å; F194-V196 HydrophobicContact CE1-CG2 3.35Å; F194-V196 HydrophobicContact CE2-CG2 4.44Å; F194-V196 HydrophobicContact CZ-CG2 3.32Å; V196-L247 CarbonylContact O-C 3.55Å; V196-L247 VanDerWaalsContact O-CA 3.29Å; V196-L247 WeakPolarHBondContact O-CA 3.43Å; V196-W248 HydrophobicContact CB-CB 4.36Å; V196-W248 PolarHBondContact N-O 3.4Å; V196-W248 PolarHBondContact O-N 3.42Å
197I94.4Very high92.2Very high10 Ų1044.7 Ų44.75%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-78.8123.6179.1-61.5166.3000109.9Y202 Y218 R221 G222 F224 L247I197-Y202 HydrophobicContact CB-CE2 4.48Å; I197-Y202 HydrophobicContact CD1-CD2 3.76Å; I197-Y202 HydrophobicContact CD1-CE2 4.11Å; I197-Y202 HydrophobicContact CG1-CD2 4.15Å; I197-Y202 HydrophobicContact CG1-CE2 3.99Å; I197-Y202 HydrophobicContact CG2-CD2 4.33Å; I197-Y202 HydrophobicContact CG2-CE2 3.71Å; I197-Y218 HydrophobicContact CD1-CD1 3.99Å; I197-Y218 HydrophobicContact CD1-CD2 3.93Å; I197-Y218 HydrophobicContact CD1-CG 3.49Å; I197-Y218 VanDerWaalsContact CD1-CG 3.49Å; I197-R221 WeakPolarHBondContact CD1-O 3.42Å; I197-G222 PolarHBondContact N-O 2.77Å; I197-F224 HydrophobicContact CD1-CD1 4.47Å; I197-F224 HydrophobicContact CD1-CE1 4.06Å; I197-F224 HydrophobicContact CG1-CE1 3.97Å; I197-L247 HydrophobicContact CB-CD2 4.16Å; I197-L247 HydrophobicContact CG1-CD2 3.6Å
198D91.8Very high91.9Very high20 Ų2043.6 Ų43.611%0.10723%0.229CC..EExtended strand (participates in β ladder)trans-89.9-45.1168.1176.466.8000110.9R147 A246R147-D198 IonicContact CZ-OD1 3.91Å; R147-D198 IonicContact NE-OD1 2.77Å; R147-D198 PolarHBondContact NE-OD1 2.97Å; R147-D198 IonicContact NH2-OD1 2.95Å; R147-D198 PolarHBondContact NH2-OD1 3.34Å; D198-A246 HydrophobicContact CB-CB 4.42Å; D198-A246 WeakPolarHBondContact CB-O 3.47Å; D198-A246 PolarHBondContact N-O 3.28Å
199R92.6Very high91.6Very high103 Ų10349.3 Ų49.339%0.38925%0.249SC..EExtended strand (participates in β ladder)trans-160.3158.317766.1-172-177.6-83.3-2.5111.6E175 Y202 N220 G245 A246E175-R199 IonicContact OE1-NH1 2.65Å; E175-R199 IonicContact OE1-NH2 2.63Å; R199-Y202 PolarHBondContact O-OH 3.28Å; R199-N220 WeakPolarHBondContact CA-OD1 3.48Å; R199-G245 CarbonylContact O-C 3.52Å; R199-G245 WeakPolarHBondContact O-CA 3.45Å; R199-A246 HydrophobicContact CG-CB 4.07Å; R199-A246 PolarHBondContact N-O 2.94Å; R199-A246 PolarHBondContact O-N 3.39Å
200G95.4Very high91.3Very high4 Ų447.8 Ų47.84%0.04125%0.254CS..  trans108165-179.700000112.6Y202 N220G200-Y202 WeakPolarHBondContact O-CE2 3.36Å; G200-N220 PolarHBondContact N-OD1 2.8Å; G200-N220 VanDerWaalsContact O-CA 3.31Å; G200-N220 WeakPolarHBondContact O-CA 3.4Å; G200-N220 PolarHBondContact O-N 3.27Å
201T97.5Very high91.3Very high39 Ų3947.2 Ų47.224%0.23925%0.254CS..EExtended strand (participates in β ladder)trans-108.7142.6177.155.80000110.1Y218 T242 S243T201-Y218 WeakPolarHBondContact CA-O 3.3Å; T201-T242 VanDerWaalsContact C-OG1 3.3Å; T201-T242 VanDerWaalsContact CB-OG1 3.27Å; T201-T242 WeakPolarHBondContact CB-OG1 3.48Å; T201-T242 PolarHBondContact O-N 2.95Å; T201-T242 PolarHBondContact O-OG1 2.8Å; T201-T242 PolarHBondContact OG1-OG1 2.86Å; T201-S243 PolarHBondContact N-OG 3.44Å; T201-S243 WeakPolarHBondContact OG1-CB 3.14Å; T201-S243 PolarHBondContact OG1-OG 3.21Å
202Y97.9Very high91.5Very high0 Ų049.6 Ų49.60%028%0.279CS..EExtended strand (participates in β ladder)trans-141.5138.9-174.7-54.8-98.7000110.6V178 V184 I197 R199 G200 N217 Y218 I239 T240 A241 A246 L247V178-Y202 HydrophobicContact CG2-CE1 3.83Å; V178-Y202 WeakPolarHBondContact CG2-OH 3.38Å; V184-Y202 HydrophobicContact CG2-CD1 3.97Å; V184-Y202 HydrophobicContact CG2-CE1 3.86Å; I197-Y202 HydrophobicContact CB-CE2 4.48Å; I197-Y202 HydrophobicContact CD1-CD2 3.76Å; I197-Y202 HydrophobicContact CD1-CE2 4.11Å; I197-Y202 HydrophobicContact CG1-CD2 4.15Å; I197-Y202 HydrophobicContact CG1-CE2 3.99Å; I197-Y202 HydrophobicContact CG2-CD2 4.33Å; I197-Y202 HydrophobicContact CG2-CE2 3.71Å; R199-Y202 PolarHBondContact O-OH 3.28Å; G200-Y202 WeakPolarHBondContact O-CE2 3.36Å; Y202-N217 CarbonylContact O-C 3.46Å; Y202-N217 WeakPolarHBondContact O-CA 3.45Å; Y202-N217 WeakPolarHBondContact O-CB 3.36Å; Y202-Y218 PolarHBondContact N-O 3.43Å; Y202-Y218 PolarHBondContact O-N 3.38Å; Y202-I239 HydrophobicContact CD1-CG2 4.14Å; Y202-I239 HydrophobicContact CG-CG2 4.41Å; Y202-T240 CarbonylContact C-O 3.57Å; Y202-T240 VanDerWaalsContact CA-O 3.26Å; Y202-T240 WeakPolarHBondContact CA-O 3.44Å; Y202-A241 HydrophobicContact CD1-CB 3.94Å; Y202-A241 HydrophobicContact CE1-CB 3.91Å; Y202-A246 PolarHBondContact OH-N 3.29Å; Y202-L247 HydrophobicContact CE1-CD1 4.24Å; Y202-L247 HydrophobicContact CE1-CD2 4Å; Y202-L247 HydrophobicContact CE1-CG 4.36Å; Y202-L247 HydrophobicContact CE2-CD2 4.11Å; Y202-L247 VanDerWaalsContact OH-CD2 3.32Å; Y202-L247 WeakPolarHBondContact OH-CD2 2.91Å
203D97.4Very high92Very high38 Ų3852.3 Ų52.320%0.20328%0.282CS..EExtended strand (participates in β ladder)trans-103143.7173.6-75.3-9.7000110.9Y205 N217 I239 T240 T242D203-Y205 HydrophobicContact CB-CD2 4.24Å; D203-Y205 HydrophobicContact CB-CE2 3.58Å; D203-N217 VanDerWaalsContact OD1-CB 3.31Å; D203-N217 WeakPolarHBondContact OD1-CB 3.39Å; D203-I239 WeakPolarHBondContact O-CA 3.24Å; D203-T240 PolarHBondContact N-O 3.25Å; D203-T240 PolarHBondContact O-N 3.33Å; D203-T242 HydrophobicContact CB-CG2 4.09Å; D203-T242 WeakPolarHBondContact OD2-CG2 3.31Å
204I96.8Very high92.1Very high27 Ų2754.2 Ų54.214%0.13830%0.297CS..EExtended strand (participates in β ladder)trans-105.5118.3-179-47175.5000108.3C214 V215 G216 Y218 A237 I239I204-C214 CarbonylContact O-C 3.57Å; I204-C214 WeakPolarHBondContact O-CA 3.46Å; I204-V215 HydrophobicContact CB-CG2 3.95Å; I204-V215 HydrophobicContact CG2-CG2 3.54Å; I204-V215 PolarHBondContact O-N 3.22Å; I204-G216 WeakPolarHBondContact CB-O 3.43Å; I204-G216 PolarHBondContact N-O 2.94Å; I204-Y218 HydrophobicContact CD1-CD2 3.92Å; I204-Y218 HydrophobicContact CD1-CE2 3.39Å; I204-Y218 HydrophobicContact CG1-CD2 3.98Å; I204-Y218 HydrophobicContact CG1-CE2 3.75Å; I204-A237 HydrophobicContact CG2-CB 3.93Å; I204-I239 HydrophobicContact CB-CD1 3.99Å; I204-I239 HydrophobicContact CG1-CD1 3.69Å; I204-I239 HydrophobicContact CG2-CD1 3.76Å
205Y94.3Very high92.2Very high89 Ų8958.3 Ų58.335%0.34932%0.322SS..EExtended strand (participates in β ladder)trans-113.2132.1177.5-69.6-86.7000111D203 R213 C214 A237 T238D203-Y205 HydrophobicContact CB-CD2 4.24Å; D203-Y205 HydrophobicContact CB-CE2 3.58Å; Y205-R213 WeakPolarHBondContact CA-O 3.31Å; Y205-C214 HydrophobicContact CD1-CB 4.05Å; Y205-C214 HydrophobicContact CE1-CB 3.69Å; Y205-A237 CarbonylContact O-C 3.5Å; Y205-A237 WeakPolarHBondContact O-CA 3.49Å; Y205-A237 WeakPolarHBondContact O-CB 3.37Å; Y205-T238 PolarHBondContact N-O 3.2Å; Y205-T238 PolarHBondContact O-N 3.25Å
206V93.8Very high92.2Very high34 Ų3458.9 Ų58.921%0.20633%0.332CS..EExtended strand (participates in β ladder)trans-122.8123.7172.1-179.80000108.7R213 V215 A237V206-R213 PolarHBondContact N-O 3.43Å; V206-R213 PolarHBondContact O-N 2.92Å; V206-V215 HydrophobicContact CB-CG1 3.92Å; V206-V215 HydrophobicContact CB-CG2 4.41Å; V206-V215 HydrophobicContact CG2-CB 4.46Å; V206-V215 HydrophobicContact CG2-CG1 4Å; V206-V215 HydrophobicContact CG2-CG2 3.63Å; V206-A237 HydrophobicContact CG2-CB 3.73Å
207K91.1Very high92.2Very high129 Ų12964 Ų6456%0.56136%0.36SS*.EExtended strand (participates in β ladder)trans-86.9112.4173.4-165.3173.4-178.7176.70109.1Q187 G210 V211Q187-K207 PolarHBondContact NE2-O 3.18Å; Q187-K207 VanDerWaalsContact NE2-O 3.12Å; K207-G210 VanDerWaalsContact CE-O 3.28Å; K207-G210 WeakPolarHBondContact CE-O 3.28Å; K207-V211 WeakPolarHBondContact CA-O 3.45Å
208C87.5Confident92.3Very high45 Ų4566.2 Ų66.230%0.30437%0.368SS..EExtended strand (participates in β ladder)trans-115.1128.9169.7-58.20000107.8G210 V211C208-G210 PolarHBondContact O-N 3.15Å; C208-G210 VanDerWaalsContact O-N 3.12Å; C208-V211 PolarHBondContact N-O 3.32Å; C208-V211 PolarHBondContact O-N 3.48Å
209D83.4Confident92.5Very high168 Ų16870.1 Ų70.190%0.89839%0.388SS*.THydrogen-bonded Turntrans52.338175.3-51.5-39.3000114.3V211D209-V211 VanDerWaalsContact C-N 3.28Å; D209-V211 PolarHBondContact O-N 2.9Å
210G82.4Confident92.5Very high56 Ų5668.8 Ų68.858%0.57739%0.389SS*.THydrogen-bonded Turntrans85.9-13.7-179.300000115.1K207 C208K207-G210 VanDerWaalsContact CE-O 3.28Å; K207-G210 WeakPolarHBondContact CE-O 3.28Å; C208-G210 PolarHBondContact O-N 3.15Å; C208-G210 VanDerWaalsContact O-N 3.12Å
211V86.2Confident92.3Very high91 Ų9178.3 Ų78.355%0.55242%0.424SS*.EExtended strand (participates in β ladder)trans-99.9117.8-178-175.10000110.5K207 C208 D209 R213K207-V211 WeakPolarHBondContact CA-O 3.45Å; C208-V211 PolarHBondContact N-O 3.32Å; C208-V211 PolarHBondContact O-N 3.48Å; D209-V211 VanDerWaalsContact C-N 3.28Å; D209-V211 PolarHBondContact O-N 2.9Å; V211-R213 HydrophobicContact CG1-CG 4.33Å
212G86.4Confident91.9Very high50 Ų5077.9 Ų77.952%0.51543%0.427SS..EExtended strand (participates in β ladder)trans-77.6120.317200000110.8
213R91Very high91.7Very high148 Ų14879.3 Ų79.356%0.55844%0.437SS*.EExtended strand (participates in β ladder)trans-113.5135.4174.6-67.4-174.8-72.8167.3-3.7109.8Y205 V206 V211 V215Y205-R213 WeakPolarHBondContact CA-O 3.31Å; V206-R213 PolarHBondContact N-O 3.43Å; V206-R213 PolarHBondContact O-N 2.92Å; V211-R213 HydrophobicContact CG1-CG 4.33Å; R213-V215 PolarHBondContact O-N 3.17Å
214C92.7Very high91.4Very high72 Ų7278 Ų7849%0.48643%0.429SS..EExtended strand (participates in β ladder)trans-71.4115.4166.4-175.90000107.6I204 Y205I204-C214 CarbonylContact O-C 3.57Å; I204-C214 WeakPolarHBondContact O-CA 3.46Å; Y205-C214 HydrophobicContact CD1-CB 4.05Å; Y205-C214 HydrophobicContact CE1-CB 3.69Å
215V94.3Very high91Very high87 Ų8777.4 Ų77.453%0.52743%0.43SS..EExtended strand (participates in β ladder)trans-102.2-8-175.9-63.30000112.8I204 V206 R213I204-V215 HydrophobicContact CB-CG2 3.95Å; I204-V215 HydrophobicContact CG2-CG2 3.54Å; I204-V215 PolarHBondContact O-N 3.22Å; V206-V215 HydrophobicContact CB-CG1 3.92Å; V206-V215 HydrophobicContact CB-CG2 4.41Å; V206-V215 HydrophobicContact CG2-CB 4.46Å; V206-V215 HydrophobicContact CG2-CG1 4Å; V206-V215 HydrophobicContact CG2-CG2 3.63Å; R213-V215 PolarHBondContact O-N 3.17Å
216G94.1Very high90.6Very high25 Ų2576.7 Ų76.726%0.25843%0.43SS..EExtended strand (participates in β ladder)trans167.2-178.317900000111.6I204I204-G216 WeakPolarHBondContact CB-O 3.43Å; I204-G216 PolarHBondContact N-O 2.94Å
217N96.1Very high90Very high110 Ų11078.6 Ų78.659%0.58844%0.438SS*.EExtended strand (participates in β ladder)trans-144.5159.2179.267-42000110.8Y202 D203Y202-N217 CarbonylContact O-C 3.46Å; Y202-N217 WeakPolarHBondContact O-CA 3.45Å; Y202-N217 WeakPolarHBondContact O-CB 3.36Å; D203-N217 VanDerWaalsContact OD1-CB 3.31Å; D203-N217 WeakPolarHBondContact OD1-CB 3.39Å
218Y96.4Very high89.5Confident56 Ų5672.5 Ų72.522%0.2241%0.412CS..EExtended strand (participates in β ladder)trans-111.9141.2168.9-65.7-72.5000109.9I197 T201 Y202 I204 R221 S223 F224 I239I197-Y218 HydrophobicContact CD1-CD1 3.99Å; I197-Y218 HydrophobicContact CD1-CD2 3.93Å; I197-Y218 HydrophobicContact CD1-CG 3.49Å; I197-Y218 VanDerWaalsContact CD1-CG 3.49Å; T201-Y218 WeakPolarHBondContact CA-O 3.3Å; Y202-Y218 PolarHBondContact N-O 3.43Å; Y202-Y218 PolarHBondContact O-N 3.38Å; I204-Y218 HydrophobicContact CD1-CD2 3.92Å; I204-Y218 HydrophobicContact CD1-CE2 3.39Å; I204-Y218 HydrophobicContact CG1-CD2 3.98Å; I204-Y218 HydrophobicContact CG1-CE2 3.75Å; Y218-R221 WeakPolarHBondContact CD1-O 3.02Å; Y218-S223 PolarHBondContact OH-O 3.09Å; Y218-F224 HydrophobicContact CD2-CD1 4.23Å; Y218-F224 HydrophobicContact CE2-CB 4.48Å; Y218-F224 AromaticContact CE2-CD1 3.76Å; Y218-F224 HydrophobicContact CE2-CD1 3.76Å; Y218-F224 HydrophobicContact CE2-CE1 4.47Å; Y218-F224 HydrophobicContact CE2-CG 4.45Å; Y218-I239 HydrophobicContact CE2-CD1 4.22Å
219D95.9Very high89.3Confident102 Ų10270.5 Ų70.555%0.54540%0.398SS..EExtended strand (participates in β ladder)trans-126.999.5177.1-178.39.1000109.9R221D219-R221 PolarHBondContact O-N 2.89Å
220N92Very high89.2Confident74 Ų7465.7 Ų65.740%0.39637%0.372SS..SBendtrans55.34.5176.9-68.6-76.5000116.2R199 G200R199-N220 WeakPolarHBondContact CA-OD1 3.48Å; G200-N220 PolarHBondContact N-OD1 2.8Å; G200-N220 VanDerWaalsContact O-CA 3.31Å; G200-N220 WeakPolarHBondContact O-CA 3.4Å; G200-N220 PolarHBondContact O-N 3.27Å
221R90.3Very high89Confident205 Ų20566.1 Ų66.177%0.77436%0.356SS*.  trans-151.3156.6-175.8-64.5-172.2173.3-161.6-3.5110.1I197 Y218 D219I197-R221 WeakPolarHBondContact CD1-O 3.42Å; Y218-R221 WeakPolarHBondContact CD1-O 3.02Å; D219-R221 PolarHBondContact O-N 2.89Å
222G90.2Very high88.5Confident30 Ų3065.3 Ų65.331%0.30935%0.349SS..  trans119.2174.7177.900000111.7I197I197-G222 PolarHBondContact N-O 2.77Å
223S92.8Very high88.1Confident30 Ų3064.5 Ų64.521%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-149.3151.8-179.463.20000109.3I155 Y195 Y218I155-S223 WeakPolarHBondContact CD1-OG 3.31Å; Y195-S223 CarbonylContact O-C 3.55Å; Y195-S223 VanDerWaalsContact O-CA 3.22Å; Y195-S223 WeakPolarHBondContact O-CA 3.32Å; Y195-S223 WeakPolarHBondContact O-CB 3.5Å; Y218-S223 PolarHBondContact OH-O 3.09Å
224F92.3Very high87.8Confident10 Ų1061.2 Ų61.24%0.04433%0.332CS..EExtended strand (participates in β ladder)trans-151.8155.4-179.951-94.2000111.9V184 I185 F194 Y195 I197 Y218 I239 L247V184-F224 HydrophobicContact CB-CZ 4.48Å; V184-F224 HydrophobicContact CG1-CE2 3.92Å; V184-F224 HydrophobicContact CG1-CZ 3.93Å; I185-F224 HydrophobicContact CD1-CD2 3.91Å; I185-F224 HydrophobicContact CD1-CE2 4.27Å; I185-F224 HydrophobicContact CG1-CD2 4.47Å; I185-F224 HydrophobicContact CG1-CE2 4.36Å; F194-F224 WeakPolarHBondContact CD2-O 3.45Å; Y195-F224 HydrophobicContact CD2-CD2 4.25Å; Y195-F224 AromaticContact CD2-CE2 3.67Å; Y195-F224 HydrophobicContact CD2-CE2 3.67Å; Y195-F224 HydrophobicContact CD2-CZ 4.47Å; Y195-F224 HydrophobicContact CG-CE2 4.02Å; Y195-F224 HydrophobicContact CG-CZ 4.41Å; Y195-F224 PolarHBondContact N-O 3.45Å; Y195-F224 PolarHBondContact O-N 3.23Å; I197-F224 HydrophobicContact CD1-CD1 4.47Å; I197-F224 HydrophobicContact CD1-CE1 4.06Å; I197-F224 HydrophobicContact CG1-CE1 3.97Å; Y218-F224 HydrophobicContact CD2-CD1 4.23Å; Y218-F224 HydrophobicContact CE2-CB 4.48Å; Y218-F224 AromaticContact CE2-CD1 3.76Å; Y218-F224 HydrophobicContact CE2-CD1 3.76Å; Y218-F224 HydrophobicContact CE2-CE1 4.47Å; Y218-F224 HydrophobicContact CE2-CG 4.45Å; F224-I239 HydrophobicContact CD2-CG1 4.1Å; F224-I239 HydrophobicContact CE1-CG2 4.19Å; F224-I239 HydrophobicContact CE2-CB 4.42Å; F224-I239 HydrophobicContact CE2-CG1 4.18Å; F224-I239 HydrophobicContact CE2-CG2 4.35Å; F224-I239 HydrophobicContact CG-CG1 4.38Å; F224-I239 HydrophobicContact CZ-CG2 3.96Å; F224-L247 HydrophobicContact CE1-CD2 4.47Å; F224-L247 HydrophobicContact CZ-CD1 4.29Å; F224-L247 HydrophobicContact CZ-CD2 4.34Å
225G88Confident87.7Confident15 Ų1558.8 Ų58.816%0.15531%0.313CS..  trans85.42217600000113.8L227 A228 R235G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.25Å; G225-A228 WeakPolarHBondContact O-CA 3.41Å; G225-A228 WeakPolarHBondContact O-CB 3.46Å; G225-A228 PolarHBondContact O-N 3.35Å; G225-R235 VanDerWaalsContact CA-NH1 3.28Å
226E85.2Confident87.5Confident73 Ų7358.5 Ų58.534%0.34132%0.319SS..THydrogen-bonded Turntrans-64.6-30.2-17970.3-71.1173.500112.8I155 L157 F194 A228 L229I155-E226 HydrophobicContact CG2-CB 4.43Å; L157-E226 WeakPolarHBondContact CD1-O 3.26Å; F194-E226 HydrophobicContact CD2-CB 3.86Å; F194-E226 HydrophobicContact CE2-CB 4.05Å; E226-A228 PolarHBondContact O-N 3.29Å; E226-L229 WeakPolarHBondContact O-CB 3.23Å; E226-L229 PolarHBondContact O-N 3.18Å
227L81.5Confident87.4Confident74 Ų7458.2 Ų58.239%0.38731%0.314SS..Hα-helixtrans-60.9-28.5171.5-8277000111.9G225 L229 M230 Y231G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.25Å; L227-L229 PolarHBondContact O-N 2.85Å; L227-L229 VanDerWaalsContact O-N 3.12Å; L227-M230 HydrophobicContact CB-CE 4.33Å; L227-M230 HydrophobicContact CG-CE 3.8Å; L227-M230 PolarHBondContact O-N 3.23Å; L227-Y231 PolarHBondContact O-N 2.96Å
228A81.4Confident87.3Confident2 Ų254 Ų542%0.01729%0.293CS..Hα-helixtrans-70-0.3174.400000113.5G191 G225 E226 R235 R252G191-A228 WeakPolarHBondContact O-CB 3.46Å; G225-A228 WeakPolarHBondContact O-CA 3.41Å; G225-A228 WeakPolarHBondContact O-CB 3.46Å; G225-A228 PolarHBondContact O-N 3.35Å; E226-A228 PolarHBondContact O-N 3.29Å; A228-R235 VanDerWaalsContact CB-NH1 3.33Å; A228-R252 VanDerWaalsContact C-CZ 3.44Å; A228-R252 VanDerWaalsContact C-NH1 3.34Å; A228-R252 VanDerWaalsContact C-NH2 3.29Å; A228-R252 VanDerWaalsContact CA-NH2 3.28Å; A228-R252 WeakPolarHBondContact O-CB 3.34Å; A228-R252 PolarHBondContact O-NE 2.71Å; A228-R252 PolarHBondContact O-NH1 3.22Å; A228-R252 PolarHBondContact O-NH2 3.26Å
229L82.9Confident87.3Confident2 Ų251.6 Ų51.61%0.0128%0.283CS..Hα-helixtrans-93.6-21.8166.6-64.1179.9000112.3L157 F158 F194 E226 L227 L250 R252 F255L157-L229 HydrophobicContact CD1-CB 3.68Å; L157-L229 HydrophobicContact CD1-CD1 4.01Å; L157-L229 HydrophobicContact CD1-CG 4.4Å; F158-L229 HydrophobicContact CE1-CD1 4.2Å; F158-L229 HydrophobicContact CZ-CD1 3.98Å; F194-L229 HydrophobicContact CB-CD1 3.64Å; F194-L229 HydrophobicContact CB-CD2 3.82Å; F194-L229 HydrophobicContact CB-CG 3.58Å; F194-L229 HydrophobicContact CD1-CD1 4.01Å; F194-L229 HydrophobicContact CG-CD1 3.87Å; F194-L229 HydrophobicContact CG-CG 4.33Å; E226-L229 WeakPolarHBondContact O-CB 3.23Å; E226-L229 PolarHBondContact O-N 3.18Å; L227-L229 PolarHBondContact O-N 2.85Å; L227-L229 VanDerWaalsContact O-N 3.12Å; L229-L250 HydrophobicContact CD1-CD2 4.17Å; L229-L250 HydrophobicContact CD2-CD2 4.41Å; L229-L250 HydrophobicContact CD2-CG 4.4Å; L229-R252 VanDerWaalsContact C-NH1 3.32Å; L229-F255 HydrophobicContact CB-CD1 3.78Å; L229-F255 HydrophobicContact CB-CE1 4.18Å; L229-F255 HydrophobicContact CB-CG 4.45Å; L229-F255 HydrophobicContact CD1-CD1 4.13Å; L229-F255 HydrophobicContact CD1-CD2 4.47Å; L229-F255 HydrophobicContact CD1-CE1 4.43Å; L229-F255 HydrophobicContact CD1-CG 4.13Å; L229-F255 HydrophobicContact CD2-CB 3.92Å; L229-F255 HydrophobicContact CD2-CD1 4.38Å; L229-F255 HydrophobicContact CD2-CG 4.26Å; L229-F255 HydrophobicContact CG-CD1 4.32Å
230M80.5Confident87.4Confident68 Ų6847.7 Ų47.734%0.33526%0.263SS..Hα-helixtrans-85.5-59.4-176-64.4-168.6-7600112.7L157 L227 R256L157-M230 HydrophobicContact CD1-CG 4.06Å; L157-M230 HydrophobicContact CD2-CG 3.81Å; L157-M230 HydrophobicContact CD2-SD 4Å; L227-M230 HydrophobicContact CB-CE 4.33Å; L227-M230 HydrophobicContact CG-CE 3.8Å; L227-M230 PolarHBondContact O-N 3.23Å; M230-R256 PolarHBondContact O-NH1 3.16Å; M230-R256 VanDerWaalsContact O-NH1 3.13Å
231Y78.1Confident87.7Confident64 Ų6444.2 Ų44.225%0.25125%0.245SC..SBendtrans-147.3153.617941.5-89.6000111.5V118 L227 T233 R252V118-Y231 HydrophobicContact CB-CD1 4.49Å; V118-Y231 HydrophobicContact CB-CD2 3.93Å; V118-Y231 HydrophobicContact CB-CG 3.92Å; V118-Y231 HydrophobicContact CG1-CD2 3.86Å; V118-Y231 HydrophobicContact CG1-CE2 4.14Å; V118-Y231 HydrophobicContact CG1-CG 4.36Å; V118-Y231 HydrophobicContact CG2-CD1 4.01Å; V118-Y231 HydrophobicContact CG2-CD2 4.21Å; V118-Y231 HydrophobicContact CG2-CE1 4.38Å; V118-Y231 HydrophobicContact CG2-CG 3.95Å; L227-Y231 PolarHBondContact O-N 2.96Å; Y231-T233 HydrophobicContact CD2-CG2 3.52Å; Y231-T233 HydrophobicContact CE2-CG2 3.33Å; Y231-T233 PolarHBondContact O-N 3.3Å; Y231-T233 PolarHBondContact O-OG1 3Å; Y231-R252 VanDerWaalsContact O-CZ 3.27Å; Y231-R252 PolarHBondContact O-NH1 3.36Å; Y231-R252 VanDerWaalsContact O-NH1 3.1Å; Y231-R252 PolarHBondContact O-NH2 3.25Å
232N75.7Confident88Confident74 Ų7437.1 Ų37.140%0.39623%0.225SC..  trans-61.899.8-179.6-1707.1000109.6
233T77.9Confident88.3Confident33 Ų3337.1 Ų37.120%0.20222%0.22CC..  trans-120.5134.7-178.516.30000109.2G191 Y231G191-T233 PolarHBondContact N-O 3.13Å; Y231-T233 HydrophobicContact CD2-CG2 3.52Å; Y231-T233 HydrophobicContact CE2-CG2 3.33Å; Y231-T233 PolarHBondContact O-N 3.3Å; Y231-T233 PolarHBondContact O-OG1 3Å
234P86.4Confident88.6Confident80 Ų8040.5 Ų40.552%0.51924%0.241SC..  trans-55.6141.5168.8-25.835000111.1D189 A236D189-P234 CarbonylContact O-C 3.58Å; D189-P234 VanDerWaalsContact O-CA 3.28Å; D189-P234 WeakPolarHBondContact O-CA 3.39Å; P234-A236 PolarHBondContact O-N 3.28Å
235R90.4Very high88.7Confident21 Ų2140.2 Ų40.28%0.07924%0.241CC..  trans-62.5133.2176.1-61.4-58-176.6172.9-0.9110.7I185 D186 Q187 G188 D189 N193 G225 A228I185-R235 HydrophobicContact CB-CG 4.3Å; I185-R235 HydrophobicContact CD1-CG 4.35Å; D186-R235 WeakPolarHBondContact O-CB 3.47Å; D186-R235 WeakPolarHBondContact O-CG 3.38Å; Q187-R235 WeakPolarHBondContact CA-O 3.22Å; Q187-R235 WeakPolarHBondContact CG-O 3.19Å; G188-R235 PolarHBondContact N-O 3.28Å; D189-R235 WeakPolarHBondContact O-CG 3.03Å; D189-R235 PolarHBondContact O-N 2.83Å; N193-R235 VanDerWaalsContact O-CZ 3.31Å; N193-R235 PolarHBondContact O-NH1 3.49Å; N193-R235 PolarHBondContact O-NH2 2.88Å; G225-R235 VanDerWaalsContact CA-NH1 3.28Å; A228-R235 VanDerWaalsContact CB-NH1 3.33Å
236A88.9Confident89Confident81 Ų8139.5 Ų39.567%0.66923%0.234SC*.SBendtrans-80.7-16.7178.500000113.8P234P234-A236 PolarHBondContact O-N 3.28Å
237A92.5Very high89.5Confident18 Ų1836 Ų3615%0.14922%0.217CC..SBendtrans-148.7153.1-175.700000111I204 Y205 V206I204-A237 HydrophobicContact CG2-CB 3.93Å; Y205-A237 CarbonylContact O-C 3.5Å; Y205-A237 WeakPolarHBondContact O-CA 3.49Å; Y205-A237 WeakPolarHBondContact O-CB 3.37Å; V206-A237 HydrophobicContact CG2-CB 3.73Å
238T94.8Very high90.2Very high23 Ų2332.8 Ų32.814%0.14120%0.2CC..EExtended strand (participates in β ladder)trans-88.8136.4167-67.60000108.9I185 D186 Q187 Y205I185-T238 CarbonylContact O-C 3.5Å; I185-T238 VanDerWaalsContact O-CA 3.28Å; I185-T238 WeakPolarHBondContact O-CA 3.29Å; D186-T238 WeakPolarHBondContact CA-OG1 3.37Å; D186-T238 WeakPolarHBondContact OD1-CG2 3.48Å; Q187-T238 PolarHBondContact N-OG1 3.17Å; Y205-T238 PolarHBondContact N-O 3.2Å; Y205-T238 PolarHBondContact O-N 3.25Å
239I96.4Very high90.9Very high4 Ų432.7 Ų32.72%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-117.5120175.6-55.7-68.3000108.3V184 I185 Y202 D203 I204 Y218 F224V184-I239 HydrophobicContact CB-CB 4.35Å; V184-I239 HydrophobicContact CB-CG2 4.34Å; V184-I239 HydrophobicContact CG2-CG2 4.31Å; V184-I239 PolarHBondContact N-O 2.98Å; I185-I239 HydrophobicContact CD1-CB 4.42Å; I185-I239 HydrophobicContact CD1-CG1 3.62Å; I185-I239 HydrophobicContact CG1-CB 3.74Å; I185-I239 HydrophobicContact CG1-CG1 3.49Å; I185-I239 VanDerWaalsContact CG1-CG1 3.49Å; I185-I239 PolarHBondContact O-N 2.8Å; Y202-I239 HydrophobicContact CD1-CG2 4.14Å; Y202-I239 HydrophobicContact CG-CG2 4.41Å; D203-I239 WeakPolarHBondContact O-CA 3.24Å; I204-I239 HydrophobicContact CB-CD1 3.99Å; I204-I239 HydrophobicContact CG1-CD1 3.69Å; I204-I239 HydrophobicContact CG2-CD1 3.76Å; Y218-I239 HydrophobicContact CE2-CD1 4.22Å; F224-I239 HydrophobicContact CD2-CG1 4.1Å; F224-I239 HydrophobicContact CE1-CG2 4.19Å; F224-I239 HydrophobicContact CE2-CB 4.42Å; F224-I239 HydrophobicContact CE2-CG1 4.18Å; F224-I239 HydrophobicContact CE2-CG2 4.35Å; F224-I239 HydrophobicContact CG-CG1 4.38Å; F224-I239 HydrophobicContact CZ-CG2 3.96Å
240T96.9Very high91.4Very high20 Ų2032.6 Ų32.612%0.12320%0.199CC..EExtended strand (participates in β ladder)trans-116.3132.4-179.1-50.50000109.9Y202 D203Y202-T240 CarbonylContact C-O 3.57Å; Y202-T240 VanDerWaalsContact CA-O 3.26Å; Y202-T240 WeakPolarHBondContact CA-O 3.44Å; D203-T240 PolarHBondContact N-O 3.25Å; D203-T240 PolarHBondContact O-N 3.33Å
241A97.9Very high91.9Very high1 Ų131.2 Ų31.21%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-72.4133.1174.100000110.3V178 K179 G181 E182 Y202V178-A241 HydrophobicContact CB-CB 4.46Å; V178-A241 HydrophobicContact CG2-CB 4.1Å; K179-A241 WeakPolarHBondContact O-CB 3.38Å; G181-A241 WeakPolarHBondContact CA-O 3.42Å; G181-A241 PolarHBondContact N-O 2.87Å; E182-A241 PolarHBondContact O-N 3.17Å; Y202-A241 HydrophobicContact CD1-CB 3.94Å; Y202-A241 HydrophobicContact CE1-CB 3.91Å
242T97.2Very high92.4Very high57 Ų5728.5 Ų28.535%0.3518%0.182SC..SBendtrans-107.88.9175.455.20000112.6D180 T201 D203D180-T242 VanDerWaalsContact OD1-CA 3.3Å; D180-T242 WeakPolarHBondContact OD1-CA 3.43Å; T201-T242 VanDerWaalsContact C-OG1 3.3Å; T201-T242 VanDerWaalsContact CB-OG1 3.27Å; T201-T242 WeakPolarHBondContact CB-OG1 3.48Å; T201-T242 PolarHBondContact O-N 2.95Å; T201-T242 PolarHBondContact O-OG1 2.8Å; T201-T242 PolarHBondContact OG1-OG1 2.86Å; D203-T242 HydrophobicContact CB-CG2 4.09Å; D203-T242 WeakPolarHBondContact OD2-CG2 3.31Å
243S97.4Very high92.9Very high29 Ų2928.9 Ų28.920%0.20319%0.187CC..SBendtrans-160.6163.7171.353.80000109.8D180 T201 G245D180-S243 PolarHBondContact OD1-N 3.3Å; T201-S243 PolarHBondContact N-OG 3.44Å; T201-S243 WeakPolarHBondContact OG1-CB 3.14Å; T201-S243 PolarHBondContact OG1-OG 3.21Å; S243-G245 PolarHBondContact O-N 3.14Å
244P97.6Very high93.5Very high102 Ų10227.6 Ų27.666%0.66218%0.179SC*.SBendtrans-59129.2168.3-20.833.4000110.4V178V178-P244 WeakPolarHBondContact O-CA 3.46Å
245G95.6Very high93.6Very high4 Ų424.5 Ų24.54%0.04116%0.157CC..EExtended strand (participates in β ladder)trans-143.5176.5-171.600000113.5V178 R199 S243V178-G245 WeakPolarHBondContact CG2-O 3.3Å; V178-G245 PolarHBondContact N-O 3.45Å; V178-G245 PolarHBondContact O-N 3.43Å; R199-G245 CarbonylContact O-C 3.52Å; R199-G245 WeakPolarHBondContact O-CA 3.45Å; S243-G245 PolarHBondContact O-N 3.14Å
246A94.8Very high93.3Very high0 Ų027 Ų270%017%0.167CC..EExtended strand (participates in β ladder)trans-141.7143.9171.500000111.2K176 L177 D198 R199 Y202K176-A246 WeakPolarHBondContact O-CA 3.36Å; L177-A246 HydrophobicContact CD2-CB 3.75Å; D198-A246 HydrophobicContact CB-CB 4.42Å; D198-A246 WeakPolarHBondContact CB-O 3.47Å; D198-A246 PolarHBondContact N-O 3.28Å; R199-A246 HydrophobicContact CG-CB 4.07Å; R199-A246 PolarHBondContact N-O 2.94Å; R199-A246 PolarHBondContact O-N 3.39Å; Y202-A246 PolarHBondContact OH-N 3.29Å
247L95.7Very high93.2Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-128.6149.3-176.9-57169.8000109.5E175 K176 V178 V184 Y195 V196 I197 Y202 F224E175-L247 CarbonylContact C-O 3.56Å; E175-L247 WeakPolarHBondContact CA-O 3.48Å; K176-L247 HydrophobicContact CB-CB 4.41Å; K176-L247 PolarHBondContact N-O 2.91Å; K176-L247 PolarHBondContact O-N 3.19Å; V178-L247 HydrophobicContact CG1-CD1 4.05Å; V184-L247 HydrophobicContact CB-CD1 4.29Å; V184-L247 HydrophobicContact CG1-CD1 3.34Å; V184-L247 HydrophobicContact CG2-CD1 3.93Å; Y195-L247 HydrophobicContact CD1-CB 4.23Å; Y195-L247 HydrophobicContact CD1-CD1 4.36Å; V196-L247 CarbonylContact O-C 3.55Å; V196-L247 VanDerWaalsContact O-CA 3.29Å; V196-L247 WeakPolarHBondContact O-CA 3.43Å; I197-L247 HydrophobicContact CB-CD2 4.16Å; I197-L247 HydrophobicContact CG1-CD2 3.6Å; Y202-L247 HydrophobicContact CE1-CD1 4.24Å; Y202-L247 HydrophobicContact CE1-CD2 4Å; Y202-L247 HydrophobicContact CE1-CG 4.36Å; Y202-L247 HydrophobicContact CE2-CD2 4.11Å; Y202-L247 VanDerWaalsContact OH-CD2 3.32Å; Y202-L247 WeakPolarHBondContact OH-CD2 2.91Å; F224-L247 HydrophobicContact CE1-CD2 4.47Å; F224-L247 HydrophobicContact CZ-CD1 4.29Å; F224-L247 HydrophobicContact CZ-CD2 4.34Å
248W95.8Very high92.9Very high6 Ų626.1 Ų26.12%0.02314%0.144CC..EExtended strand (participates in β ladder)trans-98.4112.8165.1-68.4106.8000109.1K140 Q144 L148 M173 F174 E175 Y195 V196K140-W248 HydrophobicContact CD-CE3 4.41Å; K140-W248 HydrophobicContact CD-CH2 4.06Å; K140-W248 HydrophobicContact CD-CZ2 4.32Å; K140-W248 HydrophobicContact CD-CZ3 4.09Å; K140-W248 HydrophobicContact CG-CH2 3.6Å; K140-W248 HydrophobicContact CG-CZ2 4.08Å; K140-W248 HydrophobicContact CG-CZ3 3.98Å; Q144-W248 HydrophobicContact CB-CZ2 4.24Å; Q144-W248 HydrophobicContact CG-CZ2 4.31Å; L148-W248 HydrophobicContact CD1-CB 3.79Å; L148-W248 HydrophobicContact CD1-CG 3.86Å; L148-W248 HydrophobicContact CD2-CB 4.3Å; L148-W248 HydrophobicContact CD2-CD2 4.22Å; L148-W248 HydrophobicContact CD2-CG 3.96Å; L148-W248 HydrophobicContact CG-CG 4.49Å; M173-W248 HydrophobicContact CB-CB 4.36Å; M173-W248 HydrophobicContact CB-CE3 4.37Å; M173-W248 HydrophobicContact CE-CB 3.75Å; M173-W248 WeakPolarHBondContact CE-O 3.33Å; M173-W248 HydrophobicContact SD-CB 4.45Å; F174-W248 CarbonylContact O-C 3.59Å; F174-W248 WeakPolarHBondContact O-CA 3.1Å; E175-W248 HydrophobicContact CB-CE3 4.19Å; E175-W248 HydrophobicContact CB-CH2 3.95Å; E175-W248 HydrophobicContact CB-CZ3 3.66Å; E175-W248 HydrophobicContact CG-CH2 4.43Å; E175-W248 HydrophobicContact CG-CZ3 4.48Å; Y195-W248 CarbonylContact C-O 3.55Å; Y195-W248 VanDerWaalsContact CA-O 3.31Å; Y195-W248 WeakPolarHBondContact CA-O 3.35Å; V196-W248 HydrophobicContact CB-CB 4.36Å; V196-W248 PolarHBondContact N-O 3.4Å; V196-W248 PolarHBondContact O-N 3.42Å
249G94.9Very high92.4Very high0 Ų026.3 Ų26.30%014%0.143CC..EExtended strand (participates in β ladder)trans-92.3144.6176.300000112M173 F174 F194M173-G249 CarbonylContact C-O 3.42Å; M173-G249 WeakPolarHBondContact CA-O 3.43Å; F174-G249 VanDerWaalsContact CD1-O 3.3Å; F174-G249 WeakPolarHBondContact CD1-O 3.34Å; F174-G249 PolarHBondContact N-O 3.42Å; F174-G249 PolarHBondContact O-N 3.31Å; F194-G249 CarbonylContact O-C 3.49Å; F194-G249 VanDerWaalsContact O-CA 3.3Å; F194-G249 WeakPolarHBondContact O-CA 3.43Å
250L94Very high91.9Very high0 Ų028.4 Ų28.40%016%0.156CC..EExtended strand (participates in β ladder)trans-133.6127.2169.2-178.465.9000109.3F158 V169 A172 M173 N193 F194 L229 F255F158-L250 HydrophobicContact CE1-CD2 4.28Å; F158-L250 HydrophobicContact CZ-CD2 4.06Å; V169-L250 HydrophobicContact CG1-CD2 3.69Å; A172-L250 HydrophobicContact CB-CD1 4.11Å; M173-L250 HydrophobicContact CE-CB 4.07Å; M173-L250 HydrophobicContact CG-CB 4.15Å; M173-L250 HydrophobicContact CG-CD1 4.23Å; N193-L250 CarbonylContact C-O 3.59Å; N193-L250 VanDerWaalsContact CA-O 3.29Å; N193-L250 WeakPolarHBondContact CA-O 3.17Å; F194-L250 HydrophobicContact CD1-CB 4.28Å; F194-L250 PolarHBondContact N-O 2.92Å; F194-L250 PolarHBondContact O-N 3.21Å; L229-L250 HydrophobicContact CD1-CD2 4.17Å; L229-L250 HydrophobicContact CD2-CD2 4.41Å; L229-L250 HydrophobicContact CD2-CG 4.4Å; L250-F255 HydrophobicContact CD2-CB 3.87Å; L250-F255 HydrophobicContact CD2-CD2 3.79Å; L250-F255 HydrophobicContact CD2-CG 4.12Å; L250-F255 HydrophobicContact CG-CB 4.16Å
251D91Very high91.3Very high39 Ų3929.9 Ų29.921%0.20916%0.161CC..EExtended strand (participates in β ladder)trans-82.5148.1177.973.5-83.9000112.1N193 V253 T254 F255N193-D251 VanDerWaalsContact OD1-CA 3.27Å; N193-D251 WeakPolarHBondContact OD1-CA 3.36Å; N193-D251 WeakPolarHBondContact OD1-CB 3.28Å; D251-V253 PolarHBondContact O-N 3.36Å; D251-V253 PolarHBondContact OD2-N 3.04Å; D251-T254 VanDerWaalsContact CG-CB 3.42Å; D251-T254 WeakPolarHBondContact OD1-CB 3.4Å; D251-T254 PolarHBondContact OD1-OG1 3Å; D251-T254 WeakPolarHBondContact OD2-CB 3.03Å; D251-T254 PolarHBondContact OD2-N 2.89Å; D251-T254 PolarHBondContact OD2-OG1 3.36Å; D251-F255 WeakPolarHBondContact O-CB 3.2Å; D251-F255 PolarHBondContact O-N 3.43Å
252R88.7Confident90.6Very high6 Ų630.6 Ų30.62%0.02317%0.165CC..Hα-helixtrans-53.7-49.4179.1176.6-168.8-56.9-72.72.7112.9E121 G191 D192 A228 L229 Y231 F255 R256E121-R252 VanDerWaalsContact OE2-CD 3.22Å; E121-R252 WeakPolarHBondContact OE2-CD 3.45Å; G191-R252 PolarHBondContact O-NH2 3.5Å; D192-R252 PolarHBondContact O-N 2.94Å; A228-R252 VanDerWaalsContact C-CZ 3.44Å; A228-R252 VanDerWaalsContact C-NH1 3.34Å; A228-R252 VanDerWaalsContact C-NH2 3.29Å; A228-R252 VanDerWaalsContact CA-NH2 3.28Å; A228-R252 WeakPolarHBondContact O-CB 3.34Å; A228-R252 PolarHBondContact O-NE 2.71Å; A228-R252 PolarHBondContact O-NH1 3.22Å; A228-R252 PolarHBondContact O-NH2 3.26Å; L229-R252 VanDerWaalsContact C-NH1 3.32Å; Y231-R252 VanDerWaalsContact O-CZ 3.27Å; Y231-R252 PolarHBondContact O-NH1 3.36Å; Y231-R252 VanDerWaalsContact O-NH1 3.1Å; Y231-R252 PolarHBondContact O-NH2 3.25Å; R252-F255 PolarHBondContact O-N 3.39Å; R252-R256 HydrophobicContact CG-CG 4.4Å; R252-R256 WeakPolarHBondContact O-CB 3.25Å; R252-R256 WeakPolarHBondContact O-CG 3.49Å; R252-R256 PolarHBondContact O-N 3.45Å
253V87Confident90Very high82 Ų8231.6 Ų31.650%0.49717%0.168SC..Hα-helixtrans-65.4-46.3-170.7176.70000109.6D251 R256 R257D251-V253 PolarHBondContact O-N 3.36Å; D251-V253 PolarHBondContact OD2-N 3.04Å; V253-R256 PolarHBondContact O-N 2.97Å; V253-R257 WeakPolarHBondContact O-CB 3.36Å; V253-R257 PolarHBondContact O-N 2.96Å
254T88.9Confident89.5Confident7 Ų731 Ų314%0.04317%0.165CC..Hα-helixtrans-63-45.1176-630000111.5I136 A172 D251 R257 I258I136-T254 HydrophobicContact CD1-CG2 4.18Å; A172-T254 HydrophobicContact CB-CG2 3.63Å; D251-T254 VanDerWaalsContact CG-CB 3.42Å; D251-T254 WeakPolarHBondContact OD1-CB 3.4Å; D251-T254 PolarHBondContact OD1-OG1 3Å; D251-T254 WeakPolarHBondContact OD2-CB 3.03Å; D251-T254 PolarHBondContact OD2-N 2.89Å; D251-T254 PolarHBondContact OD2-OG1 3.36Å; T254-R257 PolarHBondContact O-N 2.85Å; T254-R257 PolarHBondContact OG1-NH2 3.38Å; T254-I258 HydrophobicContact CG2-CD1 3.7Å; T254-I258 HydrophobicContact CG2-CG1 4.35Å; T254-I258 WeakPolarHBondContact O-CB 3.41Å; T254-I258 WeakPolarHBondContact O-CD1 3.48Å; T254-I258 WeakPolarHBondContact O-CG1 3.14Å; T254-I258 PolarHBondContact O-N 3.16Å
255F88.4Confident88.8Confident15 Ų1533 Ų337%0.06616%0.163CC..Hα-helixtrans-58.4-53175.8177.4-109.5000111.5L157 F158 L161 V169 L229 L250 D251 R252 R257 I258 I259L157-F255 HydrophobicContact CB-CE1 4.48Å; L157-F255 HydrophobicContact CB-CZ 4.06Å; L157-F255 HydrophobicContact CD1-CE1 4.41Å; F158-F255 AromaticContact CD1-CE2 3.81Å; F158-F255 HydrophobicContact CD1-CE2 3.81Å; F158-F255 HydrophobicContact CD1-CZ 4.26Å; F158-F255 AromaticContact CE1-CD2 3.89Å; F158-F255 HydrophobicContact CE1-CD2 3.89Å; F158-F255 AromaticContact CE1-CE2 3.39Å; F158-F255 HydrophobicContact CE1-CE2 3.39Å; F158-F255 HydrophobicContact CE1-CZ 4.01Å; L161-F255 HydrophobicContact CD1-CE2 4.35Å; V169-F255 HydrophobicContact CG2-CD2 4.06Å; V169-F255 HydrophobicContact CG2-CE2 4.19Å; L229-F255 HydrophobicContact CB-CD1 3.78Å; L229-F255 HydrophobicContact CB-CE1 4.18Å; L229-F255 HydrophobicContact CB-CG 4.45Å; L229-F255 HydrophobicContact CD1-CD1 4.13Å; L229-F255 HydrophobicContact CD1-CD2 4.47Å; L229-F255 HydrophobicContact CD1-CE1 4.43Å; L229-F255 HydrophobicContact CD1-CG 4.13Å; L229-F255 HydrophobicContact CD2-CB 3.92Å; L229-F255 HydrophobicContact CD2-CD1 4.38Å; L229-F255 HydrophobicContact CD2-CG 4.26Å; L229-F255 HydrophobicContact CG-CD1 4.32Å; L250-F255 HydrophobicContact CD2-CB 3.87Å; L250-F255 HydrophobicContact CD2-CD2 3.79Å; L250-F255 HydrophobicContact CD2-CG 4.12Å; L250-F255 HydrophobicContact CG-CB 4.16Å; D251-F255 WeakPolarHBondContact O-CB 3.2Å; D251-F255 PolarHBondContact O-N 3.43Å; R252-F255 PolarHBondContact O-N 3.39Å; F255-R257 VanDerWaalsContact C-N 3.33Å; F255-R257 PolarHBondContact O-N 3.28Å; F255-I258 PolarHBondContact O-N 3.08Å; F255-I259 HydrophobicContact CD1-CG1 4.46Å; F255-I259 HydrophobicContact CD2-CD1 4.34Å; F255-I259 HydrophobicContact CD2-CG1 4.01Å; F255-I259 HydrophobicContact CE1-CG1 4.05Å; F255-I259 HydrophobicContact CE2-CD1 3.76Å; F255-I259 HydrophobicContact CE2-CG1 3.52Å; F255-I259 HydrophobicContact CG-CG1 4.46Å; F255-I259 HydrophobicContact CZ-CD1 4.19Å; F255-I259 HydrophobicContact CZ-CG1 3.57Å; F255-I259 WeakPolarHBondContact O-CG1 3.5Å; F255-I259 PolarHBondContact O-N 3.28Å
256R86Confident88.3Confident74 Ų7435.5 Ų35.528%0.27917%0.173SC..Hα-helixtrans-59.1-44.5179.8-72-178.268.287.15111.4A120 M230 R252 V253 I259 V260A120-R256 VanDerWaalsContact CB-NH1 3.32Å; M230-R256 PolarHBondContact O-NH1 3.16Å; M230-R256 VanDerWaalsContact O-NH1 3.13Å; R252-R256 HydrophobicContact CG-CG 4.4Å; R252-R256 WeakPolarHBondContact O-CB 3.25Å; R252-R256 WeakPolarHBondContact O-CG 3.49Å; R252-R256 PolarHBondContact O-N 3.45Å; V253-R256 PolarHBondContact O-N 2.97Å; R256-I259 PolarHBondContact O-N 3.19Å; R256-V260 VanDerWaalsContact O-CB 3.31Å; R256-V260 WeakPolarHBondContact O-CB 3.49Å; R256-V260 WeakPolarHBondContact O-CG2 3.48Å; R256-V260 PolarHBondContact O-N 3.32Å
257R85.8Confident88Confident57 Ų5739.9 Ų39.922%0.21519%0.189CC..Hα-helixtrans-57.8-49.8176.2-178.7175.457.5-165-10.2111.1Y123 E133 V253 T254 F255 I259 K261Y123-R257 HydrophobicContact CE2-CB 4.46Å; Y123-R257 HydrophobicContact CE2-CG 3.95Å; E133-R257 IonicContact OE2-CZ 3.59Å; E133-R257 IonicContact OE2-NH1 2.76Å; E133-R257 PolarHBondContact OE2-NH1 3.22Å; V253-R257 WeakPolarHBondContact O-CB 3.36Å; V253-R257 PolarHBondContact O-N 2.96Å; T254-R257 PolarHBondContact O-N 2.85Å; T254-R257 PolarHBondContact OG1-NH2 3.38Å; F255-R257 VanDerWaalsContact C-N 3.33Å; F255-R257 PolarHBondContact O-N 3.28Å; R257-I259 PolarHBondContact O-N 3.41Å; R257-K261 WeakPolarHBondContact O-CB 3.36Å; R257-K261 PolarHBondContact O-N 2.93Å
258I85.8Confident87.6Confident23 Ų2344.1 Ų44.112%0.11821%0.208CC..Hα-helixtrans-58-49.3178.8-68.1165000110.7Q168 V169 A172 T254 F255 N262Q168-I258 HydrophobicContact CB-CG2 3.7Å; V169-I258 HydrophobicContact CG2-CD1 4.47Å; V169-I258 HydrophobicContact CG2-CG2 4.03Å; A172-I258 HydrophobicContact CB-CD1 3.78Å; T254-I258 HydrophobicContact CG2-CD1 3.7Å; T254-I258 HydrophobicContact CG2-CG1 4.35Å; T254-I258 WeakPolarHBondContact O-CB 3.41Å; T254-I258 WeakPolarHBondContact O-CD1 3.48Å; T254-I258 WeakPolarHBondContact O-CG1 3.14Å; T254-I258 PolarHBondContact O-N 3.16Å; F255-I258 PolarHBondContact O-N 3.08Å; I258-N262 WeakPolarHBondContact O-CB 3.15Å; I258-N262 PolarHBondContact O-N 3.49Å
259I85.4Confident87.2Confident26 Ų2648.3 Ų48.313%0.13323%0.229CC..Hα-helixtrans-68.4-50.8-176.2-58.9-40.1000111.6L161 V169 F255 R256 R257 N263L161-I259 HydrophobicContact CD1-CD1 3.95Å; L161-I259 HydrophobicContact CD2-CD1 3.33Å; L161-I259 HydrophobicContact CD2-CG1 4.27Å; L161-I259 HydrophobicContact CG-CD1 4.29Å; V169-I259 HydrophobicContact CG2-CD1 4.25Å; F255-I259 HydrophobicContact CD1-CG1 4.46Å; F255-I259 HydrophobicContact CD2-CD1 4.34Å; F255-I259 HydrophobicContact CD2-CG1 4.01Å; F255-I259 HydrophobicContact CE1-CG1 4.05Å; F255-I259 HydrophobicContact CE2-CD1 3.76Å; F255-I259 HydrophobicContact CE2-CG1 3.52Å; F255-I259 HydrophobicContact CG-CG1 4.46Å; F255-I259 HydrophobicContact CZ-CD1 4.19Å; F255-I259 HydrophobicContact CZ-CG1 3.57Å; F255-I259 WeakPolarHBondContact O-CG1 3.5Å; F255-I259 PolarHBondContact O-N 3.28Å; R256-I259 PolarHBondContact O-N 3.19Å; R257-I259 PolarHBondContact O-N 3.41Å; I259-N263 VanDerWaalsContact O-CB 3.28Å; I259-N263 WeakPolarHBondContact O-CB 3.31Å; I259-N263 VanDerWaalsContact O-CG 3.24Å; I259-N263 PolarHBondContact O-N 2.99Å; I259-N263 PolarHBondContact O-ND2 2.83Å
260V85Confident87Confident48 Ų4848.9 Ų48.929%0.29123%0.231SC..Hα-helixtrans-68.2-43.1-174.5-1780000110.5Y123 P125 R256 A264Y123-V260 HydrophobicContact CD1-CB 3.92Å; Y123-V260 HydrophobicContact CD1-CG1 3.78Å; Y123-V260 HydrophobicContact CE1-CB 4.28Å; Y123-V260 HydrophobicContact CE1-CG1 4.26Å; P125-V260 HydrophobicContact CB-CG1 4.06Å; P125-V260 HydrophobicContact CG-CG1 4.27Å; R256-V260 VanDerWaalsContact O-CB 3.31Å; R256-V260 WeakPolarHBondContact O-CB 3.49Å; R256-V260 WeakPolarHBondContact O-CG2 3.48Å; R256-V260 PolarHBondContact O-N 3.32Å; V260-A264 VanDerWaalsContact O-CB 3.28Å; V260-A264 WeakPolarHBondContact O-CB 3.26Å; V260-A264 PolarHBondContact O-N 3.42Å
261K84.4Confident86.8Confident51 Ų5151 Ų5122%0.22224%0.241CC..Hα-helixtrans-63.8-45.8176.9-172.3171.6-179.8164.70111.9Y123 D130 D131 R257 A264 K265Y123-K261 HydrophobicContact CE1-CB 4.27Å; D130-K261 PolarHBondContact O-NZ 3.26Å; D131-K261 WeakPolarHBondContact OD1-CE 3.44Å; D131-K261 IonicContact OD1-NZ 3.6Å; D131-K261 PolarHBondContact OD1-NZ 3.21Å; R257-K261 WeakPolarHBondContact O-CB 3.36Å; R257-K261 PolarHBondContact O-N 2.93Å; K261-A264 PolarHBondContact O-N 2.89Å; K261-K265 WeakPolarHBondContact O-CB 3.27Å; K261-K265 PolarHBondContact O-N 2.66Å
262N83.5Confident86.8Confident17 Ų1752.8 Ų52.89%0.09126%0.256CS..Hα-helixtrans-65.6-44.3179.6-171.3-64.4000111.4Q165 Q168 I258 A264 K265 K266Q165-N262 HydrophobicContact CG-CB 3.87Å; Q165-N262 WeakPolarHBondContact CG-OD1 3.3Å; Q165-N262 PolarHBondContact NE2-OD1 3.34Å; Q168-N262 PolarHBondContact OE1-ND2 3.31Å; I258-N262 WeakPolarHBondContact O-CB 3.15Å; I258-N262 PolarHBondContact O-N 3.49Å; N262-A264 PolarHBondContact O-N 3.4Å; N262-K265 PolarHBondContact O-N 2.91Å; N262-K266 WeakPolarHBondContact O-CB 3.16Å; N262-K266 PolarHBondContact O-N 3.07Å
263N84.8Confident87Confident77 Ų7753.1 Ų53.141%0.41226%0.258SS..Hα-helixtrans-62.3-41.2175.8-74.9-19.1000112.4Q165 I259 K266 R267Q165-N263 PolarHBondContact NE2-OD1 2.71Å; I259-N263 VanDerWaalsContact O-CB 3.28Å; I259-N263 WeakPolarHBondContact O-CB 3.31Å; I259-N263 VanDerWaalsContact O-CG 3.24Å; I259-N263 PolarHBondContact O-N 2.99Å; I259-N263 PolarHBondContact O-ND2 2.83Å; N263-K266 PolarHBondContact O-N 3.1Å; N263-R267 WeakPolarHBondContact O-CB 3.42Å; N263-R267 PolarHBondContact O-N 3.3Å
264A85.7Confident87.1Confident16 Ų1649.2 Ų49.213%0.13223%0.234CC..Hα-helixtrans-65.4-42.3175.800000112.1P125 V260 K261 N262 K266 R267 K268P125-A264 HydrophobicContact CB-CB 3.42Å; P125-A264 VanDerWaalsContact CB-CB 3.42Å; P125-A264 HydrophobicContact CG-CB 4.09Å; V260-A264 VanDerWaalsContact O-CB 3.28Å; V260-A264 WeakPolarHBondContact O-CB 3.26Å; V260-A264 PolarHBondContact O-N 3.42Å; K261-A264 PolarHBondContact O-N 2.89Å; N262-A264 PolarHBondContact O-N 3.4Å; A264-K266 PolarHBondContact O-N 2.66Å; A264-R267 WeakPolarHBondContact O-CB 3.32Å; A264-R267 PolarHBondContact O-N 3.2Å; A264-K268 WeakPolarHBondContact O-CG 3.44Å; A264-K268 PolarHBondContact O-N 2.88Å
265K84.5Confident87.2Confident145 Ų14553 Ų5363%0.6325%0.252SS*.Hα-helixtrans-60.6-44.2174-174.8175.4-177.1172.20111.8K261 N262 K268 M269K261-K265 WeakPolarHBondContact O-CB 3.27Å; K261-K265 PolarHBondContact O-N 2.66Å; N262-K265 PolarHBondContact O-N 2.91Å; K265-K268 PolarHBondContact O-N 2.74Å; K265-M269 WeakPolarHBondContact O-CB 3.5Å; K265-M269 PolarHBondContact O-N 2.99Å
266K84.1Confident87.3Confident57 Ų5755.7 Ų55.725%0.24827%0.272CS..Hα-helixtrans-63.2-41.9176.1-167.9173.7-170167.70111.4D162 N262 N263 A264 M269 Y270D162-K266 IonicContact OD2-NZ 3.43Å; D162-K266 PolarHBondContact OD2-NZ 3.37Å; N262-K266 WeakPolarHBondContact O-CB 3.16Å; N262-K266 PolarHBondContact O-N 3.07Å; N263-K266 PolarHBondContact O-N 3.1Å; A264-K266 PolarHBondContact O-N 2.66Å; K266-M269 PolarHBondContact O-N 3.13Å; K266-Y270 HydrophobicContact CD-CE2 4.23Å; K266-Y270 HydrophobicContact CG-CD2 3.98Å; K266-Y270 HydrophobicContact CG-CE2 3.62Å; K266-Y270 PolarHBondContact O-N 3.24Å
267R87.6Confident87.4Confident91 Ų9152.3 Ų52.334%0.34326%0.26SS..Hα-helixtrans-60-51.3174.7-167.5-176.9-171.5106.311.1111.3N263 A264 M269 Y270 E271 V292 D293N263-R267 WeakPolarHBondContact O-CB 3.42Å; N263-R267 PolarHBondContact O-N 3.3Å; A264-R267 WeakPolarHBondContact O-CB 3.32Å; A264-R267 PolarHBondContact O-N 3.2Å; R267-M269 VanDerWaalsContact C-N 3.35Å; R267-M269 PolarHBondContact O-N 3.2Å; R267-Y270 PolarHBondContact O-N 2.89Å; R267-E271 WeakPolarHBondContact O-CB 3.23Å; R267-E271 PolarHBondContact O-N 2.9Å; R267-V292 HydrophobicContact CB-CG1 4.47Å; R267-V292 HydrophobicContact CG-CG1 3.79Å; R267-D293 IonicContact CZ-OD1 3.7Å; R267-D293 IonicContact CZ-OD2 2.91Å; R267-D293 IonicContact NH1-OD1 2.9Å; R267-D293 PolarHBondContact NH1-OD1 3.23Å; R267-D293 IonicContact NH1-OD2 3.75Å; R267-D293 IonicContact NH2-OD1 2.9Å; R267-D293 PolarHBondContact NH2-OD1 2.97Å; R267-D293 IonicContact NH2-OD2 3.94Å; R267-D293 PolarHBondContact NH2-OD2 3.22Å
268K88.1Confident87.4Confident90 Ų9054.4 Ų54.439%0.39128%0.281SS..Hα-helixtrans-58.8-44.2176.4-74.5-179.7180173.10112.2D126 A264 K265 E271 S272D126-K268 WeakPolarHBondContact OD1-CE 3.4Å; D126-K268 IonicContact OD1-NZ 2.9Å; D126-K268 PolarHBondContact OD1-NZ 3.33Å; A264-K268 WeakPolarHBondContact O-CG 3.44Å; A264-K268 PolarHBondContact O-N 2.88Å; K265-K268 PolarHBondContact O-N 2.74Å; K268-E271 PolarHBondContact O-N 2.86Å; K268-S272 PolarHBondContact O-N 2.79Å; K268-S272 PolarHBondContact O-OG 3.29Å
269M88.2Confident87.3Confident94 Ų9453.9 Ų53.946%0.46328%0.278SS..Hα-helixtrans-59.1-50.6177.5-175.9-156.3-56.900111.5K265 K266 R267 S272 F273K265-M269 WeakPolarHBondContact O-CB 3.5Å; K265-M269 PolarHBondContact O-N 2.99Å; K266-M269 PolarHBondContact O-N 3.13Å; R267-M269 VanDerWaalsContact C-N 3.35Å; R267-M269 PolarHBondContact O-N 3.2Å; M269-S272 PolarHBondContact O-N 3.49Å; M269-F273 WeakPolarHBondContact O-CB 3.2Å; M269-F273 PolarHBondContact O-N 3.09Å
270Y90.6Very high87.3Confident11 Ų1152.8 Ų52.84%0.04327%0.272CS..Hα-helixtrans-70.3-33179.6-70.2-29.7000112.6K266 R267 F273 I274 I295 T297 K375 L377K266-Y270 HydrophobicContact CD-CE2 4.23Å; K266-Y270 HydrophobicContact CG-CD2 3.98Å; K266-Y270 HydrophobicContact CG-CE2 3.62Å; K266-Y270 PolarHBondContact O-N 3.24Å; R267-Y270 PolarHBondContact O-N 2.89Å; Y270-F273 PolarHBondContact O-N 2.98Å; Y270-I274 VanDerWaalsContact O-CB 3.25Å; Y270-I274 WeakPolarHBondContact O-CB 3.31Å; Y270-I274 WeakPolarHBondContact O-CG1 3.49Å; Y270-I274 PolarHBondContact O-N 2.8Å; Y270-I295 HydrophobicContact CD2-CD1 3.85Å; Y270-I295 HydrophobicContact CG-CD1 3.94Å; Y270-T297 PolarHBondContact OH-OG1 3.12Å; Y270-K375 PolarHBondContact OH-NZ 3.37Å; Y270-L377 HydrophobicContact CD1-CD1 4.26Å; Y270-L377 HydrophobicContact CD1-CD2 4.16Å; Y270-L377 HydrophobicContact CE1-CD1 4.49Å; Y270-L377 HydrophobicContact CE1-CD2 3.64Å; Y270-L377 HydrophobicContact CE2-CD2 4.26Å
271E90.1Very high87.3Confident45 Ų4556.4 Ų56.421%0.2128%0.284CS..Hα-helixtrans-60.4-52172.5-176.9-174.8165.300111.4R267 K268 F273 I274 E275 F285 L289 V292R267-E271 WeakPolarHBondContact O-CB 3.23Å; R267-E271 PolarHBondContact O-N 2.9Å; K268-E271 PolarHBondContact O-N 2.86Å; E271-F273 VanDerWaalsContact C-N 3.26Å; E271-F273 PolarHBondContact O-N 2.97Å; E271-I274 PolarHBondContact O-N 2.89Å; E271-E275 VanDerWaalsContact O-CB 3.28Å; E271-E275 WeakPolarHBondContact O-CB 3.3Å; E271-E275 PolarHBondContact O-N 2.88Å; E271-F285 WeakPolarHBondContact OE1-CE2 3.49Å; E271-L289 HydrophobicContact CG-CD2 4.28Å; E271-V292 HydrophobicContact CB-CG2 4.43Å
272S90.6Very high87.3Confident76 Ų7656.9 Ų56.953%0.53129%0.294SS..Hα-helixtrans-60.5-37.6175.7-620000112K268 M269 S276K268-S272 PolarHBondContact O-N 2.79Å; K268-S272 PolarHBondContact O-OG 3.29Å; M269-S272 PolarHBondContact O-N 3.49Å; S272-S276 PolarHBondContact O-N 2.87Å; S272-S276 VanDerWaalsContact O-N 3.12Å
273F91.6Very high87.3Confident14 Ų1456.3 Ų56.36%0.06129%0.29CS..Hα-helixtrans-66.4-51176.8-177.7-115.1000111.8M269 Y270 E271 E275 S276 L277 I318 V319 R349 L377M269-F273 WeakPolarHBondContact O-CB 3.2Å; M269-F273 PolarHBondContact O-N 3.09Å; Y270-F273 PolarHBondContact O-N 2.98Å; E271-F273 VanDerWaalsContact C-N 3.26Å; E271-F273 PolarHBondContact O-N 2.97Å; F273-E275 VanDerWaalsContact C-N 3.29Å; F273-E275 PolarHBondContact O-N 2.8Å; F273-S276 WeakPolarHBondContact O-CB 3.34Å; F273-S276 PolarHBondContact O-N 2.84Å; F273-S276 PolarHBondContact O-OG 2.88Å; F273-L277 HydrophobicContact CE1-CD1 4.47Å; F273-L277 HydrophobicContact CE1-CD2 4.49Å; F273-L277 HydrophobicContact CE2-CD2 4.4Å; F273-L277 HydrophobicContact CZ-CD2 4.18Å; F273-L277 WeakPolarHBondContact O-CG 3.28Å; F273-L277 PolarHBondContact O-N 3.27Å; F273-I318 HydrophobicContact CE1-CG2 3.9Å; F273-I318 HydrophobicContact CZ-CG2 4.19Å; F273-V319 WeakPolarHBondContact CZ-O 3.21Å; F273-R349 HydrophobicContact CE2-CG 4.02Å; F273-L377 HydrophobicContact CD1-CD1 3.77Å; F273-L377 HydrophobicContact CE1-CD1 3.82Å
274I90.4Very high87.4Confident0 Ų058.9 Ų58.90%030%0.3CS..Hα-helixtrans-60.5-39.5177.4-71.5-64.1000111Y270 E271 S276 L277 L280 R288 V291 V292 I318Y270-I274 VanDerWaalsContact O-CB 3.25Å; Y270-I274 WeakPolarHBondContact O-CB 3.31Å; Y270-I274 WeakPolarHBondContact O-CG1 3.49Å; Y270-I274 PolarHBondContact O-N 2.8Å; E271-I274 PolarHBondContact O-N 2.89Å; I274-S276 VanDerWaalsContact C-N 3.26Å; I274-S276 PolarHBondContact O-N 2.85Å; I274-L277 HydrophobicContact CD1-CD1 3.86Å; I274-L277 WeakPolarHBondContact O-CB 2.99Å; I274-L277 PolarHBondContact O-N 2.73Å; I274-L277 VanDerWaalsContact O-N 3.17Å; I274-L280 HydrophobicContact CD1-CD1 3.91Å; I274-L280 HydrophobicContact CG2-CD1 3.78Å; I274-R288 HydrophobicContact CG2-CB 4.14Å; I274-R288 HydrophobicContact CG2-CG 4.15Å; I274-V291 HydrophobicContact CD1-CG1 4.13Å; I274-V291 HydrophobicContact CG1-CG1 4.47Å; I274-V292 HydrophobicContact CG1-CG2 4.21Å; I274-I318 HydrophobicContact CD1-CD1 3.98Å
275E90.7Very high87.4Confident87 Ų8763.5 Ų63.541%0.40732%0.317SS..Hα-helixtrans-62.1-34.3174.4179.2173.3-14800112.2E271 F273 L277 K281E271-E275 VanDerWaalsContact O-CB 3.28Å; E271-E275 WeakPolarHBondContact O-CB 3.3Å; E271-E275 PolarHBondContact O-N 2.88Å; F273-E275 VanDerWaalsContact C-N 3.29Å; F273-E275 PolarHBondContact O-N 2.8Å; E275-L277 PolarHBondContact O-N 2.72Å; E275-K281 WeakPolarHBondContact O-CE 3.28Å; E275-K281 PolarHBondContact O-NZ 3.36Å
276S90.1Very high87.6Confident71 Ų7159.4 Ų59.450%0.49731%0.307SS..Hα-helixtrans-70.5-17.317879.60000113.6S272 F273 I274 P278S272-S276 PolarHBondContact O-N 2.87Å; S272-S276 VanDerWaalsContact O-N 3.12Å; F273-S276 WeakPolarHBondContact O-CB 3.34Å; F273-S276 PolarHBondContact O-N 2.84Å; F273-S276 PolarHBondContact O-OG 2.88Å; I274-S276 VanDerWaalsContact C-N 3.26Å; I274-S276 PolarHBondContact O-N 2.85Å; S276-P278 WeakPolarHBondContact O-CD 3.46Å
277L89.3Confident87.7Confident2 Ų259.4 Ų59.41%0.0131%0.308CS..  trans-76.1118.2-174.8-58.7-177.1000111.6F273 I274 E275 F279 L280 I318 G350F273-L277 HydrophobicContact CE1-CD1 4.47Å; F273-L277 HydrophobicContact CE1-CD2 4.49Å; F273-L277 HydrophobicContact CE2-CD2 4.4Å; F273-L277 HydrophobicContact CZ-CD2 4.18Å; F273-L277 WeakPolarHBondContact O-CG 3.28Å; F273-L277 PolarHBondContact O-N 3.27Å; I274-L277 HydrophobicContact CD1-CD1 3.86Å; I274-L277 WeakPolarHBondContact O-CB 2.99Å; I274-L277 PolarHBondContact O-N 2.73Å; I274-L277 VanDerWaalsContact O-N 3.17Å; E275-L277 PolarHBondContact O-N 2.72Å; L277-F279 VanDerWaalsContact C-N 3.3Å; L277-F279 HydrophobicContact CB-CD1 4.05Å; L277-F279 HydrophobicContact CB-CE1 3.7Å; L277-F279 HydrophobicContact CB-CZ 4.3Å; L277-F279 HydrophobicContact CD1-CE1 3.82Å; L277-F279 HydrophobicContact CD1-CZ 3.81Å; L277-F279 HydrophobicContact CD2-CE1 4.36Å; L277-F279 HydrophobicContact CG-CE1 4.15Å; L277-F279 PolarHBondContact O-N 3.42Å; L277-L280 HydrophobicContact CB-CB 4.38Å; L277-L280 HydrophobicContact CB-CD1 4.28Å; L277-L280 HydrophobicContact CB-CG 4.31Å; L277-L280 HydrophobicContact CD1-CD1 3.87Å; L277-L280 PolarHBondContact O-N 2.89Å; L277-L280 VanDerWaalsContact O-N 3.13Å; L277-I318 HydrophobicContact CD1-CD1 3.82Å; L277-I318 HydrophobicContact CD1-CG2 3.91Å; L277-G350 WeakPolarHBondContact CD2-O 3.13Å
278P85.8Confident87.8Confident102 Ų10256.8 Ų56.866%0.66230%0.298SS*.G310 helixtrans-59.1-37.2-175.4-2735.5000114.1S276 L280 K281S276-P278 WeakPolarHBondContact O-CD 3.46Å; P278-L280 PolarHBondContact O-N 3.42Å; P278-K281 WeakPolarHBondContact O-CB 3.47Å; P278-K281 WeakPolarHBondContact O-CG 3.49Å; P278-K281 PolarHBondContact O-N 3.42Å
279F83.1Confident87.8Confident12 Ų1254.2 Ų54.25%0.05329%0.288CS..G310 helixtrans-73.6-13.4-177.269.1-85000113.8L277 F316 I318 Y352 C391 I394 M395L277-F279 VanDerWaalsContact C-N 3.3Å; L277-F279 HydrophobicContact CB-CD1 4.05Å; L277-F279 HydrophobicContact CB-CE1 3.7Å; L277-F279 HydrophobicContact CB-CZ 4.3Å; L277-F279 HydrophobicContact CD1-CE1 3.82Å; L277-F279 HydrophobicContact CD1-CZ 3.81Å; L277-F279 HydrophobicContact CD2-CE1 4.36Å; L277-F279 HydrophobicContact CG-CE1 4.15Å; L277-F279 PolarHBondContact O-N 3.42Å; F279-F316 HydrophobicContact CE2-CE1 4.43Å; F279-F316 AromaticContact CE2-CZ 3.91Å; F279-F316 HydrophobicContact CE2-CZ 3.91Å; F279-F316 HydrophobicContact CZ-CZ 4.08Å; F279-I318 HydrophobicContact CZ-CD1 4.08Å; F279-I318 HydrophobicContact CZ-CG1 4.21Å; F279-Y352 HydrophobicContact CB-CE1 4.2Å; F279-Y352 AromaticContact CD1-CD1 3.53Å; F279-Y352 HydrophobicContact CD1-CD1 3.53Å; F279-Y352 AromaticContact CD1-CE1 3.69Å; F279-Y352 HydrophobicContact CD1-CE1 3.69Å; F279-Y352 HydrophobicContact CD2-CD1 4.26Å; F279-Y352 HydrophobicContact CD2-CE1 4.24Å; F279-Y352 AromaticContact CE1-CD1 3.42Å; F279-Y352 HydrophobicContact CE1-CD1 3.42Å; F279-Y352 VanDerWaalsContact CE1-CD1 3.42Å; F279-Y352 HydrophobicContact CE1-CE1 4.08Å; F279-Y352 HydrophobicContact CE1-CG 4.28Å; F279-Y352 HydrophobicContact CE2-CD1 4.15Å; F279-Y352 AromaticContact CG-CD1 3.97Å; F279-Y352 HydrophobicContact CG-CD1 3.97Å; F279-Y352 AromaticContact CG-CE1 3.79Å; F279-Y352 HydrophobicContact CG-CE1 3.79Å; F279-Y352 AromaticContact CZ-CD1 3.76Å; F279-Y352 HydrophobicContact CZ-CD1 3.76Å; F279-Y352 HydrophobicContact CZ-CG 4.23Å; F279-C391 PolarHBondContact O-SG 3.02Å; F279-C391 VanDerWaalsContact O-SG 3.37Å; F279-I394 HydrophobicContact CB-CG2 4.14Å; F279-M395 HydrophobicContact CD2-CE 3.87Å; F279-M395 HydrophobicContact CE2-CE 4.07Å
280L85.7Confident87.8Confident2 Ų255.1 Ų55.11%0.0129%0.289CS..G310 helixtrans-103.94.2177-59.7-178.3000112.9I274 L277 P278 S282 L283 L388I274-L280 HydrophobicContact CD1-CD1 3.91Å; I274-L280 HydrophobicContact CG2-CD1 3.78Å; L277-L280 HydrophobicContact CB-CB 4.38Å; L277-L280 HydrophobicContact CB-CD1 4.28Å; L277-L280 HydrophobicContact CB-CG 4.31Å; L277-L280 HydrophobicContact CD1-CD1 3.87Å; L277-L280 PolarHBondContact O-N 2.89Å; L277-L280 VanDerWaalsContact O-N 3.13Å; P278-L280 PolarHBondContact O-N 3.42Å; L280-S282 PolarHBondContact O-N 3.39Å; L280-L283 HydrophobicContact CB-CD1 4.34Å; L280-L283 HydrophobicContact CD2-CD1 3.88Å; L280-L283 WeakPolarHBondContact O-CB 2.93Å; L280-L283 PolarHBondContact O-N 3.35Å; L280-L283 VanDerWaalsContact O-N 3.09Å; L280-L388 HydrophobicContact CD2-CD2 3.59Å
281K84.1Confident87.7Confident125 Ų12554.6 Ų54.654%0.54329%0.287SS..THydrogen-bonded Turntrans-64.6-20.4177.5-72.7-69.9-175.8-171.60113.7E275 P278 L283E275-K281 WeakPolarHBondContact O-CE 3.28Å; E275-K281 PolarHBondContact O-NZ 3.36Å; P278-K281 WeakPolarHBondContact O-CB 3.47Å; P278-K281 WeakPolarHBondContact O-CG 3.49Å; P278-K281 PolarHBondContact O-N 3.42Å; K281-L283 VanDerWaalsContact C-N 3.28Å
282S84Confident87.7Confident61 Ų6153.1 Ų53.143%0.42728%0.281SS..THydrogen-bonded Turntrans-75.2-15.6174.854.60000113.7L280 C391L280-S282 PolarHBondContact O-N 3.39Å; S282-C391 PolarHBondContact OG-SG 3.44Å
283L84.1Confident87.5Confident4 Ų454 Ų542%0.02128%0.28CS..SBendtrans-82.1140.1179.3-62.9-179000111.3L280 K281 E287 R288 V291 L388 P390L280-L283 HydrophobicContact CB-CD1 4.34Å; L280-L283 HydrophobicContact CD2-CD1 3.88Å; L280-L283 WeakPolarHBondContact O-CB 2.93Å; L280-L283 PolarHBondContact O-N 3.35Å; L280-L283 VanDerWaalsContact O-N 3.09Å; K281-L283 VanDerWaalsContact C-N 3.28Å; L283-E287 WeakPolarHBondContact CA-OE2 3.18Å; L283-E287 HydrophobicContact CB-CB 4.16Å; L283-E287 HydrophobicContact CD2-CB 4.38Å; L283-R288 HydrophobicContact CB-CG 3.83Å; L283-R288 HydrophobicContact CD1-CG 4.43Å; L283-R288 PolarHBondContact O-NH1 2.85Å; L283-V291 HydrophobicContact CD1-CG2 4.37Å; L283-L388 HydrophobicContact CD1-CD2 3.62Å; L283-P390 HydrophobicContact CD2-CB 4.16Å; L283-P390 HydrophobicContact CD2-CG 4.16Å
284E87.1Confident87.4Confident132 Ų13255.8 Ų55.862%0.61729%0.292SS*.  trans-69162.5170.8-65.8-170.717500111.7S286 E287 R288E284-S286 VanDerWaalsContact C-N 3.3Å; E284-S286 PolarHBondContact O-N 2.85Å; E284-E287 HydrophobicContact CB-CG 4.26Å; E284-E287 PolarHBondContact N-OE2 2.91Å; E284-E287 PolarHBondContact O-N 3.49Å; E284-E287 VanDerWaalsContact O-N 3.1Å; E284-R288 WeakPolarHBondContact O-CG 3.05Å; E284-R288 PolarHBondContact O-N 2.73Å
285F86.8Confident87.4Confident113 Ų11356.7 Ų56.750%0.49630%0.297SS..Hα-helixtrans-52.5-47.2177.9177.9-98.3000112.8E271 E287 R288 L289E271-F285 WeakPolarHBondContact OE1-CE2 3.49Å; F285-E287 VanDerWaalsContact C-N 3.28Å; F285-E287 PolarHBondContact O-N 2.61Å; F285-R288 PolarHBondContact O-N 2.91Å; F285-L289 HydrophobicContact CD1-CD1 4Å; F285-L289 HydrophobicContact CE1-CD1 3.37Å; F285-L289 HydrophobicContact CE1-CG 4.14Å; F285-L289 HydrophobicContact CZ-CD1 3.75Å; F285-L289 HydrophobicContact CZ-CD2 4.48Å; F285-L289 HydrophobicContact CZ-CG 4.23Å; F285-L289 PolarHBondContact O-N 3.19Å
286S87.3Confident87.4Confident59 Ų5954.1 Ų54.141%0.41329%0.294SS..Hα-helixtrans-64.6-32-179.3720000112.9E284 K290E284-S286 VanDerWaalsContact C-N 3.3Å; E284-S286 PolarHBondContact O-N 2.85Å; S286-K290 WeakPolarHBondContact O-CG 3.42Å; S286-K290 PolarHBondContact O-N 2.95Å
287E87.1Confident87.4Confident57 Ų5753.2 Ų53.227%0.26629%0.285SS..Hα-helixtrans-74.7-41177.9-61.1177.6136.700111.2L283 E284 F285 L289 K290 V291L283-E287 WeakPolarHBondContact CA-OE2 3.18Å; L283-E287 HydrophobicContact CB-CB 4.16Å; L283-E287 HydrophobicContact CD2-CB 4.38Å; E284-E287 HydrophobicContact CB-CG 4.26Å; E284-E287 PolarHBondContact N-OE2 2.91Å; E284-E287 PolarHBondContact O-N 3.49Å; E284-E287 VanDerWaalsContact O-N 3.1Å; F285-E287 VanDerWaalsContact C-N 3.28Å; F285-E287 PolarHBondContact O-N 2.61Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 2.8Å; E287-K290 WeakPolarHBondContact O-CB 3.31Å; E287-K290 PolarHBondContact O-N 2.74Å; E287-V291 PolarHBondContact O-N 2.85Å; E287-V291 VanDerWaalsContact O-N 3.08Å
288R88.9Confident87.6Confident36 Ų3657.4 Ų57.414%0.13630%0.304CS..Hα-helixtrans-61.1-38.6173.4-66.5-169-56.7-10411.2111.8I274 L283 E284 F285 K290 V291 V292I274-R288 HydrophobicContact CG2-CB 4.14Å; I274-R288 HydrophobicContact CG2-CG 4.15Å; L283-R288 HydrophobicContact CB-CG 3.83Å; L283-R288 HydrophobicContact CD1-CG 4.43Å; L283-R288 PolarHBondContact O-NH1 2.85Å; E284-R288 WeakPolarHBondContact O-CG 3.05Å; E284-R288 PolarHBondContact O-N 2.73Å; F285-R288 PolarHBondContact O-N 2.91Å; R288-K290 PolarHBondContact O-N 3.29Å; R288-V291 WeakPolarHBondContact O-CB 3.45Å; R288-V291 PolarHBondContact O-N 2.94Å; R288-V291 VanDerWaalsContact O-N 3.16Å; R288-V292 WeakPolarHBondContact O-CG2 3.49Å; R288-V292 PolarHBondContact O-N 3.07Å
289L88Confident88Confident35 Ų3556.7 Ų56.718%0.18330%0.297CS..Hα-helixtrans-63.7-39.8175.3-72.1-177.7000112.5E271 F285 E287 V291 V292 D293E271-L289 HydrophobicContact CG-CD2 4.28Å; F285-L289 HydrophobicContact CD1-CD1 4Å; F285-L289 HydrophobicContact CE1-CD1 3.37Å; F285-L289 HydrophobicContact CE1-CG 4.14Å; F285-L289 HydrophobicContact CZ-CD1 3.75Å; F285-L289 HydrophobicContact CZ-CD2 4.48Å; F285-L289 HydrophobicContact CZ-CG 4.23Å; F285-L289 PolarHBondContact O-N 3.19Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 2.8Å; L289-V291 VanDerWaalsContact C-N 3.25Å; L289-V291 PolarHBondContact O-N 3.47Å; L289-V292 PolarHBondContact O-N 2.83Å; L289-V292 VanDerWaalsContact O-N 3.16Å; L289-D293 PolarHBondContact O-N 3.02Å
290K87.9Confident88.6Confident113 Ų11357 Ų5749%0.49130%0.298SS..Hα-helixtrans-62.3-34.8173.7-68.3172-175.9172.30112S286 E287 R288 D293 V294 L387S286-K290 WeakPolarHBondContact O-CG 3.42Å; S286-K290 PolarHBondContact O-N 2.95Å; E287-K290 WeakPolarHBondContact O-CB 3.31Å; E287-K290 PolarHBondContact O-N 2.74Å; R288-K290 PolarHBondContact O-N 3.29Å; K290-D293 PolarHBondContact O-N 3.37Å; K290-V294 WeakPolarHBondContact O-CG2 3.47Å; K290-L387 HydrophobicContact CB-CD1 4.31Å; K290-L387 HydrophobicContact CB-CD2 3.74Å; K290-L387 HydrophobicContact CD-CD2 4.05Å
291V88.7Confident89.1Confident0 Ų061.8 Ų61.80%032%0.324CS..Hα-helixtrans-64.3-47.3172.7164.20000110.6I274 L283 E287 R288 L289 D293 V294 I295 M379 L387 L388I274-V291 HydrophobicContact CD1-CG1 4.13Å; I274-V291 HydrophobicContact CG1-CG1 4.47Å; L283-V291 HydrophobicContact CD1-CG2 4.37Å; E287-V291 PolarHBondContact O-N 2.85Å; E287-V291 VanDerWaalsContact O-N 3.08Å; R288-V291 WeakPolarHBondContact O-CB 3.45Å; R288-V291 PolarHBondContact O-N 2.94Å; R288-V291 VanDerWaalsContact O-N 3.16Å; L289-V291 VanDerWaalsContact C-N 3.25Å; L289-V291 PolarHBondContact O-N 3.47Å; V291-D293 PolarHBondContact O-N 2.99Å; V291-V294 WeakPolarHBondContact O-CG2 3.19Å; V291-V294 PolarHBondContact O-N 3.39Å; V291-I295 HydrophobicContact CG1-CG2 3.9Å; V291-I295 WeakPolarHBondContact O-CG1 3.32Å; V291-I295 WeakPolarHBondContact O-CG2 3.4Å; V291-I295 PolarHBondContact O-N 2.71Å; V291-I295 VanDerWaalsContact O-N 3.12Å; V291-M379 HydrophobicContact CB-CE 4.18Å; V291-M379 HydrophobicContact CG1-CE 3.48Å; V291-M379 VanDerWaalsContact CG1-CE 3.48Å; V291-M379 HydrophobicContact CG2-CE 4.07Å; V291-L387 HydrophobicContact CG2-CB 4.1Å; V291-L387 HydrophobicContact CG2-CD1 4.21Å; V291-L388 HydrophobicContact CG2-CD2 3.97Å
292V90.3Very high89.8Confident14 Ų1461.5 Ų61.59%0.08533%0.328CS..Hα-helixtrans-59.9-33177.4175.70000112R267 E271 I274 R288 L289 V294 I295R267-V292 HydrophobicContact CB-CG1 4.47Å; R267-V292 HydrophobicContact CG-CG1 3.79Å; E271-V292 HydrophobicContact CB-CG2 4.43Å; I274-V292 HydrophobicContact CG1-CG2 4.21Å; R288-V292 WeakPolarHBondContact O-CG2 3.49Å; R288-V292 PolarHBondContact O-N 3.07Å; L289-V292 PolarHBondContact O-N 2.83Å; L289-V292 VanDerWaalsContact O-N 3.16Å; V292-V294 VanDerWaalsContact C-N 3.33Å; V292-V294 PolarHBondContact O-N 3.02Å; V292-I295 VanDerWaalsContact O-CG1 3.31Å; V292-I295 WeakPolarHBondContact O-CG1 3.37Å
293D87.3Confident90.2Very high95 Ų9561 Ų6151%0.50833%0.332SS..Hα-helixtrans-69.6-25.3179.4-75.2-35.5000114.4R267 L289 K290 V291R267-D293 IonicContact CZ-OD1 3.7Å; R267-D293 IonicContact CZ-OD2 2.91Å; R267-D293 IonicContact NH1-OD1 2.9Å; R267-D293 PolarHBondContact NH1-OD1 3.23Å; R267-D293 IonicContact NH1-OD2 3.75Å; R267-D293 IonicContact NH2-OD1 2.9Å; R267-D293 PolarHBondContact NH2-OD1 2.97Å; R267-D293 IonicContact NH2-OD2 3.94Å; R267-D293 PolarHBondContact NH2-OD2 3.22Å; L289-D293 PolarHBondContact O-N 3.02Å; K290-D293 PolarHBondContact O-N 3.37Å; V291-D293 PolarHBondContact O-N 2.99Å
294V89.1Confident90.9Very high51 Ų5164.4 Ų64.431%0.30935%0.348SS..Hα-helixtrans-110.2-14.7-174-580000113.9K290 V291 V292 G296 M379 A383 L387K290-V294 WeakPolarHBondContact O-CG2 3.47Å; V291-V294 WeakPolarHBondContact O-CG2 3.19Å; V291-V294 PolarHBondContact O-N 3.39Å; V292-V294 VanDerWaalsContact C-N 3.33Å; V292-V294 PolarHBondContact O-N 3.02Å; V294-G296 PolarHBondContact O-N 2.98Å; V294-M379 HydrophobicContact CG2-CE 4.42Å; V294-A383 HydrophobicContact CB-CB 4.43Å; V294-A383 HydrophobicContact CG2-CB 4.02Å; V294-L387 HydrophobicContact CG1-CD1 4.38Å; V294-L387 HydrophobicContact CG2-CD1 3.56Å
295I90Very high91.3Very high19 Ų1962.9 Ų62.910%0.09734%0.341CS..  trans-67123.3-178.353.2168.5000111.1Y270 V291 V292 L377 M379Y270-I295 HydrophobicContact CD2-CD1 3.85Å; Y270-I295 HydrophobicContact CG-CD1 3.94Å; V291-I295 HydrophobicContact CG1-CG2 3.9Å; V291-I295 WeakPolarHBondContact O-CG1 3.32Å; V291-I295 WeakPolarHBondContact O-CG2 3.4Å; V291-I295 PolarHBondContact O-N 2.71Å; V291-I295 VanDerWaalsContact O-N 3.12Å; V292-I295 VanDerWaalsContact O-CG1 3.31Å; V292-I295 WeakPolarHBondContact O-CG1 3.37Å; I295-L377 HydrophobicContact CD1-CD1 3.91Å; I295-L377 HydrophobicContact CD1-CD2 4.32Å; I295-M379 HydrophobicContact CG2-CE 3.68Å
296G90.1Very high91.7Very high33 Ų3358.3 Ų58.334%0.3432%0.322SS..EExtended strand (participates in β ladder)trans-84.4155.2169.300000111.1V294 L377 A378V294-G296 PolarHBondContact O-N 2.98Å; G296-L377 CarbonylContact O-C 3.49Å; G296-L377 VanDerWaalsContact O-CA 3.28Å; G296-L377 WeakPolarHBondContact O-CA 3.43Å; G296-A378 PolarHBondContact N-O 2.92Å; G296-A378 PolarHBondContact O-N 3.4Å
297T90.9Very high92.1Very high53 Ų5356.5 Ų56.533%0.32531%0.307SS..EExtended strand (participates in β ladder)trans-106.7131170.7-59.60000109.3Y270 K375Y270-T297 PolarHBondContact OH-OG1 3.12Å; T297-K375 HydrophobicContact CG2-CD 4.13Å; T297-K375 HydrophobicContact CG2-CG 3.86Å
298K93Very high92.4Very high90 Ų9054.8 Ų54.839%0.39130%0.302SS..EExtended strand (participates in β ladder)trans-125.9133.9172.4-67-173.6178.3178.90109.8Y300 F317 C376 A378K298-Y300 HydrophobicContact CB-CE2 3.68Å; K298-Y300 WeakPolarHBondContact CD-OH 3.48Å; K298-F317 HydrophobicContact CD-CE1 4.29Å; K298-C376 PolarHBondContact N-O 2.84Å; K298-C376 PolarHBondContact O-N 2.95Å; K298-A378 HydrophobicContact CD-CB 4.15Å; K298-A378 HydrophobicContact CG-CB 4.33Å
299V93.8Very high92.5Very high86 Ų8655.6 Ų55.652%0.52131%0.308SS..EExtended strand (participates in β ladder)trans-110.9134.7177.6-177.40000107.8T373 V374 K375V299-T373 HydrophobicContact CG1-CG2 4.18Å; V299-V374 CarbonylContact C-O 3.55Å; V299-V374 WeakPolarHBondContact CA-O 3.38Å; V299-K375 HydrophobicContact CG2-CG 4.14Å
300Y96.3Very high92.6Very high18 Ų1856.3 Ų56.37%0.07132%0.324CS..EExtended strand (participates in β ladder)trans-125.1143-179.2-57.6-82.8000109.7K298 E304 I306 F317 V374 C376K298-Y300 HydrophobicContact CB-CE2 3.68Å; K298-Y300 WeakPolarHBondContact CD-OH 3.48Å; Y300-E304 HydrophobicContact CD1-CG 4.23Å; Y300-I306 HydrophobicContact CD1-CG1 4.05Å; Y300-I306 HydrophobicContact CD2-CD1 3.99Å; Y300-I306 HydrophobicContact CD2-CG1 3.99Å; Y300-I306 HydrophobicContact CE1-CB 4.41Å; Y300-I306 HydrophobicContact CE1-CG1 4.22Å; Y300-I306 HydrophobicContact CE1-CG2 4.19Å; Y300-I306 HydrophobicContact CE2-CD1 4.25Å; Y300-I306 HydrophobicContact CE2-CG1 4.15Å; Y300-I306 HydrophobicContact CE2-CG2 3.88Å; Y300-I306 HydrophobicContact CG-CD1 4.31Å; Y300-I306 HydrophobicContact CG-CG1 3.92Å; Y300-F317 WeakPolarHBondContact OH-CE1 3.22Å; Y300-V374 PolarHBondContact N-O 2.92Å; Y300-V374 PolarHBondContact O-N 3.02Å; Y300-C376 HydrophobicContact CE2-CB 4.18Å
301N97.1Very high92.8Very high104 Ų10455.4 Ų55.456%0.55632%0.324SS*.  trans-85.3167.2175.7-57.4-70.4000111.2G303 E304 A370 G372N301-G303 PolarHBondContact O-N 3.45Å; N301-E304 PolarHBondContact N-OE2 3.32Å; N301-E304 PolarHBondContact ND2-OE2 2.97Å; N301-E304 VanDerWaalsContact ND2-OE2 3.14Å; N301-E304 WeakPolarHBondContact O-CB 3.29Å; N301-E304 PolarHBondContact O-N 3.44Å; N301-A370 VanDerWaalsContact O-CB 3.25Å; N301-A370 WeakPolarHBondContact O-CB 3.09Å; N301-G372 CarbonylContact C-O 3.53Å
302D97.3Very high92.8Very high118 Ų11860.2 Ų60.263%0.63136%0.358SS*.THydrogen-bonded Turntrans-56.5130.9178.5-176.146.2000111.8E304 G372D302-E304 PolarHBondContact O-N 2.82Å; D302-G372 WeakPolarHBondContact CA-O 3.48Å; D302-G372 PolarHBondContact N-O 3.13Å; D302-G372 PolarHBondContact OD1-N 2.82Å
303G93.9Very high92.7Very high50 Ų5060.8 Ų60.852%0.51536%0.364SS..THydrogen-bonded Turntrans76.1-5.1-178.100000115.4N301 A370N301-G303 PolarHBondContact O-N 3.45Å; G303-A370 WeakPolarHBondContact CA-O 3.47Å; G303-A370 PolarHBondContact N-O 2.81Å
304E97Very high92.7Very high77 Ų7760.6 Ų60.636%0.3636%0.363SS..  trans-66.7137-179-168.5174.2164.400111.3Y300 N301 D302 H369 A370Y300-E304 HydrophobicContact CD1-CG 4.23Å; N301-E304 PolarHBondContact N-OE2 3.32Å; N301-E304 PolarHBondContact ND2-OE2 2.97Å; N301-E304 VanDerWaalsContact ND2-OE2 3.14Å; N301-E304 WeakPolarHBondContact O-CB 3.29Å; N301-E304 PolarHBondContact O-N 3.44Å; D302-E304 PolarHBondContact O-N 2.82Å; E304-H369 WeakPolarHBondContact O-CA 3.28Å; E304-A370 PolarHBondContact O-N 3.17Å
305Q96.1Very high92.8Very high99 Ų9958.8 Ų58.846%0.46335%0.352SS..EExtended strand (participates in β ladder)trans-81.4121.5-179.8-173.2176.136.900110.5A308Q305-A308 VanDerWaalsContact NE2-CB 3.29Å
306I95.6Very high92.8Very high18 Ų1857.9 Ų57.99%0.09235%0.348CS..EExtended strand (participates in β ladder)trans-88.6-47.1-180-52.9-179.4000110.7Y300 F317 V324 F353 A368 A370Y300-I306 HydrophobicContact CD1-CG1 4.05Å; Y300-I306 HydrophobicContact CD2-CD1 3.99Å; Y300-I306 HydrophobicContact CD2-CG1 3.99Å; Y300-I306 HydrophobicContact CE1-CB 4.41Å; Y300-I306 HydrophobicContact CE1-CG1 4.22Å; Y300-I306 HydrophobicContact CE1-CG2 4.19Å; Y300-I306 HydrophobicContact CE2-CD1 4.25Å; Y300-I306 HydrophobicContact CE2-CG1 4.15Å; Y300-I306 HydrophobicContact CE2-CG2 3.88Å; Y300-I306 HydrophobicContact CG-CD1 4.31Å; Y300-I306 HydrophobicContact CG-CG1 3.92Å; I306-F317 HydrophobicContact CG2-CD1 4.37Å; I306-F317 HydrophobicContact CG2-CE1 4.21Å; I306-F317 HydrophobicContact CG2-CZ 4.3Å; I306-V324 HydrophobicContact CD1-CB 4.47Å; I306-V324 HydrophobicContact CD1-CG1 3.93Å; I306-V324 HydrophobicContact CD1-CG2 3.66Å; I306-F353 HydrophobicContact CD1-CZ 4.06Å; I306-F353 HydrophobicContact CG2-CE2 3.91Å; I306-F353 HydrophobicContact CG2-CZ 3.9Å; I306-A368 PolarHBondContact N-O 2.88Å; I306-A370 HydrophobicContact CD1-CB 4.47Å
307I94.6Very high93.1Very high21 Ų2156.5 Ų56.511%0.10833%0.333CS..EExtended strand (participates in β ladder)trans-136.6144.217559.4174.1000109.3F317 F353 S367 A368I307-F317 HydrophobicContact CG2-CD2 4.26Å; I307-F317 HydrophobicContact CG2-CE2 3.67Å; I307-F317 HydrophobicContact CG2-CZ 4.39Å; I307-F353 HydrophobicContact CD1-CD2 3.99Å; I307-F353 HydrophobicContact CD1-CE2 4.34Å; I307-S367 CarbonylContact O-C 3.57Å; I307-S367 WeakPolarHBondContact O-CA 3.48Å; I307-S367 WeakPolarHBondContact O-CB 3.31Å; I307-A368 HydrophobicContact CD1-CB 4Å; I307-A368 HydrophobicContact CG1-CB 3.5Å; I307-A368 VanDerWaalsContact CG1-CB 3.5Å; I307-A368 PolarHBondContact N-O 3.14Å; I307-A368 PolarHBondContact O-N 2.98Å
308A93.9Very high93.2Very high20 Ų2054.2 Ų54.217%0.16532%0.318CS..  trans-105.7140.1174.700000111.2Q305 G310 D311 R364Q305-A308 VanDerWaalsContact NE2-CB 3.29Å; A308-G310 PolarHBondContact O-N 2.92Å; A308-D311 WeakPolarHBondContact CB-OD2 3.29Å; A308-D311 PolarHBondContact O-N 2.81Å; A308-R364 WeakPolarHBondContact O-CB 3.39Å
309Q92.1Very high93.4Very high54 Ų5449.9 Ų49.925%0.25230%0.299SS..THydrogen-bonded Turntrans-64132.5173.9179.9175.71.200110.2K329 R364 A365 S367Q309-K329 PolarHBondContact NE2-O 3.46Å; Q309-R364 WeakPolarHBondContact CA-O 3.43Å; Q309-A365 VanDerWaalsContact CD-O 3.24Å; Q309-A365 WeakPolarHBondContact CG-O 3.33Å; Q309-A365 PolarHBondContact NE2-O 2.9Å; Q309-S367 WeakPolarHBondContact CB-OG 3.44Å; Q309-S367 PolarHBondContact N-OG 3.27Å
310G90.3Very high93.4Very high50 Ų5046.5 Ų46.552%0.51528%0.278SS..THydrogen-bonded Turntrans93.1-13.3-179.500000114.6A308 P363 R364A308-G310 PolarHBondContact O-N 2.92Å; G310-P363 WeakPolarHBondContact O-CB 3.3Å; G310-R364 PolarHBondContact N-O 3.45Å
311D91.3Very high93.3Very high93 Ų9348 Ų4850%0.49729%0.291SS..SBendtrans-72.8157176.7-77.3-2.3000111.8A308 P363 R364A308-D311 WeakPolarHBondContact CB-OD2 3.29Å; A308-D311 PolarHBondContact O-N 2.81Å; D311-P363 CarbonylContact O-C 3.59Å; D311-P363 WeakPolarHBondContact O-CA 3.3Å; D311-R364 HydrophobicContact CB-CG 4.42Å; D311-R364 WeakPolarHBondContact O-CG 3.4Å; D311-R364 PolarHBondContact O-N 3.39Å
312S88.9Confident93.2Very high101 Ų10144.8 Ų44.871%0.70628%0.283SS*.PPolyproline II helixtrans-64139.5168.853.30000110.7
313A87.4Confident93.2Very high26 Ų2642.2 Ų42.222%0.21527%0.267CS..PPolyproline II helixtrans-88.3123.317600000112.1A357 L358A313-A357 HydrophobicContact CB-CB 3.26Å; A313-L358 HydrophobicContact CB-CD2 3.82Å
314D87.8Confident93.4Very high92 Ų9239.9 Ų39.949%0.49224%0.242SC..  trans-118.2-22.9-178.263.2-18.6000112.8R364 D380 V381D314-R364 IonicContact OD1-NH2 2.61Å; D314-R364 PolarHBondContact OD1-NH2 3.24Å; D314-D380 CarbonylContact O-C 3.55Å; D314-D380 WeakPolarHBondContact O-CA 3.19Å; D314-V381 PolarHBondContact O-N 3.47Å
315S90.4Very high93.3Very high12 Ų1239.5 Ų39.58%0.08424%0.239CC..EExtended strand (participates in β ladder)trans-139.6149.3-171.8-560000113.5R364 M379S315-R364 PolarHBondContact O-NH1 3.02Å; S315-R364 PolarHBondContact O-NH2 3.13Å; S315-M379 CarbonylContact C-O 3.56Å; S315-M379 VanDerWaalsContact CA-O 3.23Å; S315-M379 WeakPolarHBondContact CA-O 3.02Å
316F91.7Very high93.3Very high1 Ų135.9 Ų35.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-102.7145167166.6-105.8000109.7F279 I318 Y352 E355 L358 A378 M379 F384 L388 M395F279-F316 HydrophobicContact CE2-CE1 4.43Å; F279-F316 AromaticContact CE2-CZ 3.91Å; F279-F316 HydrophobicContact CE2-CZ 3.91Å; F279-F316 HydrophobicContact CZ-CZ 4.08Å; F316-I318 HydrophobicContact CD1-CG1 4.33Å; F316-I318 HydrophobicContact CE1-CD1 3.78Å; F316-I318 HydrophobicContact CE1-CG1 3.44Å; F316-I318 VanDerWaalsContact CE1-CG1 3.44Å; F316-I318 HydrophobicContact CZ-CD1 4.42Å; F316-I318 HydrophobicContact CZ-CG1 3.81Å; F316-Y352 AromaticContact CE2-CD2 3.53Å; F316-Y352 HydrophobicContact CE2-CD2 3.53Å; F316-Y352 HydrophobicContact CE2-CE2 4.41Å; F316-Y352 AromaticContact CE2-CG 3.8Å; F316-Y352 HydrophobicContact CE2-CG 3.8Å; F316-Y352 VanDerWaalsContact CZ-CB 3.49Å; F316-Y352 HydrophobicContact CZ-CD2 4.07Å; F316-Y352 AromaticContact CZ-CG 3.85Å; F316-Y352 HydrophobicContact CZ-CG 3.85Å; F316-E355 HydrophobicContact CD2-CB 3.97Å; F316-E355 HydrophobicContact CE2-CB 4.03Å; F316-L358 HydrophobicContact CB-CD1 3.68Å; F316-A378 CarbonylContact O-C 3.54Å; F316-A378 WeakPolarHBondContact O-CA 3.28Å; F316-M379 HydrophobicContact CD1-CB 4.32Å; F316-M379 PolarHBondContact N-O 2.97Å; F316-M379 PolarHBondContact O-N 2.89Å; F316-F384 HydrophobicContact CB-CD2 3.78Å; F316-F384 HydrophobicContact CB-CE2 4.26Å; F316-F384 HydrophobicContact CD1-CD2 4.16Å; F316-F384 HydrophobicContact CD1-CE2 4.42Å; F316-F384 HydrophobicContact CD2-CD2 4.35Å; F316-F384 HydrophobicContact CD2-CE2 4.02Å; F316-F384 HydrophobicContact CE2-CE2 4.44Å; F316-F384 AromaticContact CG-CD2 3.86Å; F316-F384 HydrophobicContact CG-CD2 3.86Å; F316-F384 AromaticContact CG-CE2 3.99Å; F316-F384 HydrophobicContact CG-CE2 3.99Å; F316-L388 HydrophobicContact CE1-CD1 4.35Å; F316-M395 HydrophobicContact CE2-CE 4.49Å; F316-M395 HydrophobicContact CZ-CE 4.39Å
317F94.7Very high93.1Very high4 Ų435.7 Ų35.72%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-127140.4-176.2-62.4-88.4000112.9K298 Y300 I306 I307 Y352 F353 C376 L377 A378K298-F317 HydrophobicContact CD-CE1 4.29Å; Y300-F317 WeakPolarHBondContact OH-CE1 3.22Å; I306-F317 HydrophobicContact CG2-CD1 4.37Å; I306-F317 HydrophobicContact CG2-CE1 4.21Å; I306-F317 HydrophobicContact CG2-CZ 4.3Å; I307-F317 HydrophobicContact CG2-CD2 4.26Å; I307-F317 HydrophobicContact CG2-CE2 3.67Å; I307-F317 HydrophobicContact CG2-CZ 4.39Å; F317-Y352 CarbonylContact O-C 3.51Å; F317-Y352 WeakPolarHBondContact O-CA 3.33Å; F317-Y352 VanDerWaalsContact O-CB 3.3Å; F317-Y352 WeakPolarHBondContact O-CB 3.27Å; F317-F353 HydrophobicContact CB-CD1 4.14Å; F317-F353 HydrophobicContact CB-CD2 4.16Å; F317-F353 HydrophobicContact CB-CE1 3.65Å; F317-F353 HydrophobicContact CB-CE2 3.68Å; F317-F353 HydrophobicContact CB-CG 4.37Å; F317-F353 HydrophobicContact CB-CZ 3.4Å; F317-F353 HydrophobicContact CD2-CD2 4.38Å; F317-F353 AromaticContact CD2-CE2 3.83Å; F317-F353 HydrophobicContact CD2-CE2 3.83Å; F317-F353 HydrophobicContact CD2-CZ 4.3Å; F317-F353 AromaticContact CG-CE2 3.87Å; F317-F353 HydrophobicContact CG-CE2 3.87Å; F317-F353 AromaticContact CG-CZ 3.85Å; F317-F353 HydrophobicContact CG-CZ 3.85Å; F317-F353 PolarHBondContact N-O 3.36Å; F317-F353 VanDerWaalsContact N-O 3.11Å; F317-F353 PolarHBondContact O-N 2.75Å; F317-C376 HydrophobicContact CD1-CB 4.21Å; F317-L377 CarbonylContact C-O 3.51Å; F317-L377 VanDerWaalsContact CA-O 3.3Å; F317-L377 WeakPolarHBondContact CA-O 3.5Å; F317-A378 HydrophobicContact CD1-CB 3.81Å; F317-A378 HydrophobicContact CE1-CB 3.66Å
318I94.9Very high92.8Very high4 Ų434.8 Ų34.82%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-121130.5169.7-52.8167.1000108.3F273 I274 L277 F279 F316 E320 C376 L377F273-I318 HydrophobicContact CE1-CG2 3.9Å; F273-I318 HydrophobicContact CZ-CG2 4.19Å; I274-I318 HydrophobicContact CD1-CD1 3.98Å; L277-I318 HydrophobicContact CD1-CD1 3.82Å; L277-I318 HydrophobicContact CD1-CG2 3.91Å; F279-I318 HydrophobicContact CZ-CD1 4.08Å; F279-I318 HydrophobicContact CZ-CG1 4.21Å; F316-I318 HydrophobicContact CD1-CG1 4.33Å; F316-I318 HydrophobicContact CE1-CD1 3.78Å; F316-I318 HydrophobicContact CE1-CG1 3.44Å; F316-I318 VanDerWaalsContact CE1-CG1 3.44Å; F316-I318 HydrophobicContact CZ-CD1 4.42Å; F316-I318 HydrophobicContact CZ-CG1 3.81Å; I318-E320 PolarHBondContact O-N 2.69Å; I318-C376 CarbonylContact O-C 3.58Å; I318-C376 VanDerWaalsContact O-CA 3.24Å; I318-C376 WeakPolarHBondContact O-CA 3.42Å; I318-L377 HydrophobicContact CB-CB 4.32Å; I318-L377 PolarHBondContact N-O 3.5Å; I318-L377 PolarHBondContact O-N 3.1Å
319V95.9Very high92.4Very high0 Ų040.2 Ų40.20%024%0.238CC..EExtended strand (participates in β ladder)trans-77.4117.5177.6-176.90000109.6F273 V324 C347 S348 R349 G350 Q351 F353F273-V319 WeakPolarHBondContact CZ-O 3.21Å; V319-V324 HydrophobicContact CG2-CB 4.42Å; V319-V324 HydrophobicContact CG2-CG2 3.87Å; V319-C347 HydrophobicContact CG2-CB 3.97Å; V319-S348 WeakPolarHBondContact CB-O 3.37Å; V319-R349 WeakPolarHBondContact O-CA 3.34Å; V319-G350 PolarHBondContact O-N 3.4Å; V319-Q351 PolarHBondContact N-O 2.91Å; V319-F353 HydrophobicContact CG2-CD1 4.11Å; V319-F353 HydrophobicContact CG2-CE1 3.75Å
320E94.1Very high91.7Very high15 Ų1544.1 Ų44.17%0.0725%0.25CS..EExtended strand (participates in β ladder)trans-89-43175.4-172.4-167.1156.700111.1I318 R349 K375 L377I318-E320 PolarHBondContact O-N 2.69Å; E320-R349 WeakPolarHBondContact O-CD 3.38Å; E320-R349 VanDerWaalsContact O-CG 3.25Å; E320-R349 WeakPolarHBondContact O-CG 3.13Å; E320-R349 PolarHBondContact O-NH1 2.9Å; E320-K375 WeakPolarHBondContact CA-O 3.4Å; E320-K375 HydrophobicContact CB-CB 4.45Å; E320-K375 HydrophobicContact CB-CG 4.47Å; E320-K375 WeakPolarHBondContact CB-O 3.22Å; E320-K375 PolarHBondContact N-O 3.1Å; E320-K375 IonicContact OE1-NZ 3.67Å; E320-K375 PolarHBondContact OE1-NZ 3.24Å; E320-K375 WeakPolarHBondContact OE2-CD 3.49Å; E320-K375 WeakPolarHBondContact OE2-CE 3.39Å; E320-K375 WeakPolarHBondContact OE2-CG 3.48Å; E320-K375 IonicContact OE2-NZ 3.44Å; E320-K375 PolarHBondContact OE2-NZ 3.27Å; E320-L377 HydrophobicContact CB-CG 4.5Å
321S94.4Very high90.5Very high49 Ų4950 Ų5034%0.34326%0.262SS..EExtended strand (participates in β ladder)trans-151.5158.1175.265.90000111.3V374 K375S321-V374 WeakPolarHBondContact O-CA 3.47Å; S321-K375 PolarHBondContact N-O 3Å; S321-K375 PolarHBondContact O-N 2.86Å; S321-K375 VanDerWaalsContact OG-CB 3.31Å; S321-K375 WeakPolarHBondContact OG-CB 3.5Å
322G94.8Very high88.8Confident37 Ų3749.4 Ų49.438%0.38128%0.278SS..EExtended strand (participates in β ladder)trans83.6-167.3-173.400000112.8
323E97.3Very high86.8Confident64 Ų6453 Ų5330%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-134.3138.5-178.9-170.9178.9-165.700109.9R346 C347 I371 V374E323-R346 HydrophobicContact CG-CB 4.45Å; E323-R346 WeakPolarHBondContact OE1-CD 3.26Å; E323-R346 IonicContact OE1-NH1 3.53Å; E323-R346 IonicContact OE2-NH1 3.73Å; E323-C347 CarbonylContact C-O 3.58Å; E323-C347 WeakPolarHBondContact CA-O 3.31Å; E323-I371 HydrophobicContact CB-CB 4.28Å; E323-I371 HydrophobicContact CG-CD1 4.14Å; E323-I371 WeakPolarHBondContact O-CA 3.22Å; E323-I371 WeakPolarHBondContact O-CB 3.34Å; E323-I371 PolarHBondContact O-N 3.42Å; E323-V374 WeakPolarHBondContact O-CG2 3.45Å
324V97.7Very high84.6Confident0 Ų057 Ų570%031%0.307CS..EExtended strand (participates in β ladder)trans-114.8128.2-179.9176.50000109.5I306 V319 R346 C347 F353 A368 H369 V374I306-V324 HydrophobicContact CD1-CB 4.47Å; I306-V324 HydrophobicContact CD1-CG1 3.93Å; I306-V324 HydrophobicContact CD1-CG2 3.66Å; V319-V324 HydrophobicContact CG2-CB 4.42Å; V319-V324 HydrophobicContact CG2-CG2 3.87Å; V324-R346 CarbonylContact O-C 3.23Å; V324-R346 VanDerWaalsContact O-CA 3.3Å; V324-R346 WeakPolarHBondContact O-CA 3.22Å; V324-C347 HydrophobicContact CB-CB 4.28Å; V324-C347 PolarHBondContact N-O 3.32Å; V324-C347 PolarHBondContact O-N 2.84Å; V324-F353 HydrophobicContact CB-CE1 4.36Å; V324-F353 HydrophobicContact CG1-CE1 4.16Å; V324-F353 HydrophobicContact CG1-CZ 4.16Å; V324-F353 HydrophobicContact CG2-CE1 4.08Å; V324-F353 HydrophobicContact CG2-CZ 4.37Å; V324-A368 HydrophobicContact CG1-CB 3.7Å; V324-H369 CarbonylContact C-O 3.44Å; V324-H369 WeakPolarHBondContact CA-O 3.46Å; V324-V374 HydrophobicContact CG2-CG1 3.66Å; V324-V374 HydrophobicContact CG2-CG2 4.35Å
325K96.4Very high82.6Confident69 Ų6962.3 Ų62.330%0.333%0.329SS..EExtended strand (participates in β ladder)trans-92.3122175.4-169.9174.3158.2141.80110.7T327 E343 A368 H369 I371K325-T327 HydrophobicContact CD-CG2 4.11Å; K325-T327 HydrophobicContact CG-CG2 3.95Å; K325-E343 HydrophobicContact CD-CG 4.33Å; K325-E343 WeakPolarHBondContact CE-OE2 3.25Å; K325-E343 HydrophobicContact CG-CG 3.89Å; K325-E343 IonicContact NZ-OE2 2.7Å; K325-E343 PolarHBondContact NZ-OE2 2.92Å; K325-A368 CarbonylContact O-C 3.57Å; K325-A368 VanDerWaalsContact O-CA 3.29Å; K325-A368 WeakPolarHBondContact O-CA 3.37Å; K325-H369 PolarHBondContact N-O 2.83Å; K325-H369 PolarHBondContact O-N 2.76Å; K325-I371 HydrophobicContact CB-CD1 3.87Å; K325-I371 HydrophobicContact CB-CG1 3.9Å
326I94.5Very high80.4Confident24 Ų2468 Ų6812%0.12336%0.363CS..EExtended strand (participates in β ladder)trans-98.6124.4173.5-52.7-176.3000109.3E343 I344 A345 F353 A366 S367 A368I326-E343 WeakPolarHBondContact O-CA 3.33Å; I326-I344 HydrophobicContact CB-CG1 4.09Å; I326-I344 HydrophobicContact CG2-CD1 3.72Å; I326-I344 HydrophobicContact CG2-CG1 3.65Å; I326-I344 PolarHBondContact O-N 3.22Å; I326-A345 HydrophobicContact CB-CB 4.26Å; I326-A345 HydrophobicContact CD1-CB 4.28Å; I326-A345 PolarHBondContact N-O 3.42Å; I326-F353 HydrophobicContact CD1-CB 3.92Å; I326-A366 HydrophobicContact CG2-CB 3.66Å; I326-S367 WeakPolarHBondContact CA-O 3.42Å; I326-A368 HydrophobicContact CG1-CB 4.34Å
327T92.6Very high78.1Confident13 Ų1375 Ų758%0.0840%0.396CS..EExtended strand (participates in β ladder)trans-127.7142.2-177.557.30000111K325 V342 A366 S367K325-T327 HydrophobicContact CD-CG2 4.11Å; K325-T327 HydrophobicContact CG-CG2 3.95Å; T327-V342 CarbonylContact C-O 3.52Å; T327-V342 VanDerWaalsContact CA-O 3.27Å; T327-V342 WeakPolarHBondContact CA-O 3.3Å; T327-A366 WeakPolarHBondContact O-CB 3.46Å; T327-S367 PolarHBondContact N-O 3.43Å; T327-S367 PolarHBondContact O-N 2.85Å; T327-S367 VanDerWaalsContact O-O 3.11Å; T327-S367 PolarHBondContact OG1-O 2.84Å
328M88.3Confident75.7Confident3 Ų384.5 Ų84.52%0.01544%0.44CS..EExtended strand (participates in β ladder)trans-128.5131.9178.4-170.117659.700110.7V342 I344 A365 A366 L406 F410 M414M328-V342 PolarHBondContact N-O 3.36Å; M328-V342 PolarHBondContact O-N 3Å; M328-I344 HydrophobicContact CB-CD1 4.2Å; M328-I344 HydrophobicContact CB-CG2 4.13Å; M328-I344 HydrophobicContact CE-CG2 4.38Å; M328-A365 WeakPolarHBondContact CG-O 3.27Å; M328-A366 HydrophobicContact CB-CB 4.15Å; M328-A366 HydrophobicContact CG-CB 4.46Å; M328-L406 HydrophobicContact CE-CD2 3.39Å; M328-L406 HydrophobicContact SD-CD2 4.21Å; M328-F410 HydrophobicContact CE-CD1 4.41Å; M328-F410 HydrophobicContact CE-CD2 3.54Å; M328-F410 HydrophobicContact CE-CE1 4.05Å; M328-F410 HydrophobicContact CE-CE2 3.1Å; M328-F410 HydrophobicContact CE-CG 4.2Å; M328-F410 HydrophobicContact CE-CZ 3.38Å; M328-M414 HydrophobicContact CE-CE 3.77Å; M328-M414 HydrophobicContact CE-CG 3.95Å; M328-M414 HydrophobicContact CG-CE 4.41Å; M328-M414 HydrophobicContact SD-CE 3.98Å; M328-M414 HydrophobicContact SD-CG 4.39Å
329K86.1Confident73.5Confident134 Ų13491.4 Ų91.458%0.58348%0.477SS*.EExtended strand (participates in β ladder)trans-86.5137.7172.5-66.1-178.5-180179.70109.8Q309 A341Q309-K329 PolarHBondContact NE2-O 3.46Å; K329-A341 HydrophobicContact CG-CB 4.07Å
330R76.9Confident72Confident135 Ų13593.3 Ų93.351%0.50950%0.496SS..  trans-73134.3175.8-68.8-179.3178.1178.4-7.9110.5G332 L409 F410R330-G332 PolarHBondContact O-N 2.98Å; R330-L409 PolarHBondContact NH2-O 3.4Å; R330-F410 HydrophobicContact CG-CD1 3.66Å; R330-F410 HydrophobicContact CG-CE1 3.68Å
331K64.7Low71.2Confident174 Ų17495 Ų9576%0.75751%0.513SS*.THydrogen-bonded Turntrans-70115.9168.5-78-178.3177.2172.80108.7
332G54.9Low70.9Confident81 Ų8194.7 Ų94.784%0.83551%0.509SS*.THydrogen-bonded Turntrans122.511164.800000119.4R330R330-G332 PolarHBondContact O-N 2.98Å
333K47.1Very low70.6Confident176 Ų17696.2 Ų96.277%0.76551%0.506SS*.SBendtrans-118.4128.4167.7-75.2-171.1175.2-171.80110.9
334S40.9Very low70.2Confident109 Ų10995.1 Ų95.176%0.76250%0.502SS*.  trans-50.4149.6-177.3-550000113.4V336S334-V336 PolarHBondContact O-N 3.49Å
335E45.5Very low69.8Low205 Ų20596.7 Ų96.796%0.95852%0.515SS*.THydrogen-bonded Turntrans-59.715.5-171.7-62.4177146.600117
336V44.7Very low69.7Low132 Ų13299 Ų9980%0.852%0.522SS*.THydrogen-bonded Turntrans-101.6-6.9-168.5-169.80000113.7S334S334-V336 PolarHBondContact O-N 3.49Å
337E43.7Very low69.7Low148 Ų14898.2 Ų98.269%0.69252%0.519SS*.  trans-115.8111.7172.9-73-175.9172.100111.3N339 G340E337-N339 PolarHBondContact O-N 2.88Å; E337-G340 PolarHBondContact O-N 3.38Å
338E45.5Very low69.8Low203 Ų203100.3 Ų100.395%0.94953%0.534SS*.THydrogen-bonded Turntrans-57.1-6.6173.7-145.4169.8-17100113.2
339N47.8Very low70.2Confident148 Ų148107.4 Ų107.479%0.79156%0.56SS**THydrogen-bonded Turntrans-9814.7-177.8-74.2-21.2000115.2E337 A341E337-N339 PolarHBondContact O-N 2.88Å; N339-A341 PolarHBondContact O-N 3.4Å
340G64.3Low70.4Confident40 Ų40101.9 Ų101.941%0.41254%0.542SS..  trans-78.6-8.7-174.800000117.1E337E337-G340 PolarHBondContact O-N 3.38Å
341A77.4Confident71.2Confident50 Ų5099.7 Ų99.741%0.41354%0.537SS..EExtended strand (participates in β ladder)trans-94.5117.5-178.400000111K329 N339K329-A341 HydrophobicContact CG-CB 4.07Å; N339-A341 PolarHBondContact O-N 3.4Å
342V87.3Confident72.5Confident44 Ų4492.6 Ų92.627%0.26751%0.506SS..EExtended strand (participates in β ladder)trans-98.2131.6179.2178.90000109.1T327 M328 I344 F410T327-V342 CarbonylContact C-O 3.52Å; T327-V342 VanDerWaalsContact CA-O 3.27Å; T327-V342 WeakPolarHBondContact CA-O 3.3Å; M328-V342 PolarHBondContact N-O 3.36Å; M328-V342 PolarHBondContact O-N 3Å; V342-I344 PolarHBondContact O-N 2.94Å; V342-F410 HydrophobicContact CB-CE1 3.95Å; V342-F410 HydrophobicContact CB-CZ 3.77Å; V342-F410 HydrophobicContact CG1-CE1 4.29Å; V342-F410 HydrophobicContact CG1-CZ 3.89Å; V342-F410 HydrophobicContact CG2-CE1 3.95Å; V342-F410 HydrophobicContact CG2-CZ 4.3Å
343E89.6Confident74.3Confident68 Ų6888.9 Ų88.932%0.31847%0.467SS..EExtended strand (participates in β ladder)trans-71.4123.8172.4-171.7179141.500109.9K325 I326 R346K325-E343 HydrophobicContact CD-CG 4.33Å; K325-E343 WeakPolarHBondContact CE-OE2 3.25Å; K325-E343 HydrophobicContact CG-CG 3.89Å; K325-E343 IonicContact NZ-OE2 2.7Å; K325-E343 PolarHBondContact NZ-OE2 2.92Å; I326-E343 WeakPolarHBondContact O-CA 3.33Å; E343-R346 WeakPolarHBondContact OE1-CG 3.16Å; E343-R346 IonicContact OE1-CZ 3.5Å; E343-R346 IonicContact OE1-NE 2.69Å; E343-R346 PolarHBondContact OE1-NE 3.24Å; E343-R346 IonicContact OE1-NH2 3.42Å; E343-R346 PolarHBondContact OE1-NH2 2.98Å; E343-R346 IonicContact OE2-NH2 3.59Å
344I88.5Confident76.3Confident41 Ų4181 Ų8121%0.2144%0.436CS..EExtended strand (participates in β ladder)trans-109.3-28.7-17759.4170000112.7I326 M328 V342 A366 L406 L409 F410I326-I344 HydrophobicContact CB-CG1 4.09Å; I326-I344 HydrophobicContact CG2-CD1 3.72Å; I326-I344 HydrophobicContact CG2-CG1 3.65Å; I326-I344 PolarHBondContact O-N 3.22Å; M328-I344 HydrophobicContact CB-CD1 4.2Å; M328-I344 HydrophobicContact CB-CG2 4.13Å; M328-I344 HydrophobicContact CE-CG2 4.38Å; V342-I344 PolarHBondContact O-N 2.94Å; I344-A366 HydrophobicContact CD1-CB 3.88Å; I344-L406 HydrophobicContact CG2-CD2 4.47Å; I344-L409 HydrophobicContact CB-CD1 4.44Å; I344-L409 HydrophobicContact CG2-CD1 4.12Å; I344-F410 HydrophobicContact CG2-CE2 3.74Å; I344-F410 HydrophobicContact CG2-CZ 3.88Å
345A89.8Confident78.5Confident34 Ų3476.1 Ų76.128%0.28140%0.4SS..EExtended strand (participates in β ladder)trans-159.6161.2-179.800000111.5I326I326-A345 HydrophobicContact CB-CB 4.26Å; I326-A345 HydrophobicContact CD1-CB 4.28Å; I326-A345 PolarHBondContact N-O 3.42Å
346R94.3Very high80.4Confident116 Ų11667.4 Ų67.444%0.43836%0.361SS..EExtended strand (participates in β ladder)trans-125139.1165.5-60-165.1-176.6-160.3-7.7110.1E323 V324 E343E323-R346 HydrophobicContact CG-CB 4.45Å; E323-R346 WeakPolarHBondContact OE1-CD 3.26Å; E323-R346 IonicContact OE1-NH1 3.53Å; E323-R346 IonicContact OE2-NH1 3.73Å; V324-R346 CarbonylContact O-C 3.23Å; V324-R346 VanDerWaalsContact O-CA 3.3Å; V324-R346 WeakPolarHBondContact O-CA 3.22Å; E343-R346 WeakPolarHBondContact OE1-CG 3.16Å; E343-R346 IonicContact OE1-CZ 3.5Å; E343-R346 IonicContact OE1-NE 2.69Å; E343-R346 PolarHBondContact OE1-NE 3.24Å; E343-R346 IonicContact OE1-NH2 3.42Å; E343-R346 PolarHBondContact OE1-NH2 2.98Å; E343-R346 IonicContact OE2-NH2 3.59Å
347C94.7Very high82.3Confident9 Ų961.5 Ų61.56%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-116.8117.6178.7-61.10000109.9V319 E323 V324 Q351 F353V319-C347 HydrophobicContact CG2-CB 3.97Å; E323-C347 CarbonylContact C-O 3.58Å; E323-C347 WeakPolarHBondContact CA-O 3.31Å; V324-C347 HydrophobicContact CB-CB 4.28Å; V324-C347 PolarHBondContact N-O 3.32Å; V324-C347 PolarHBondContact O-N 2.84Å; C347-Q351 HydrophobicContact CB-CB 4.09Å; C347-F353 HydrophobicContact CB-CD1 4.37Å
348S95Very high84.2Confident56 Ų5655.2 Ų55.239%0.39230%0.296SS..  trans-101.5179.1174.666.80000111.2V319 G350 Q351V319-S348 WeakPolarHBondContact CB-O 3.37Å; S348-G350 PolarHBondContact O-N 2.91Å; S348-Q351 VanDerWaalsContact O-CB 3.3Å; S348-Q351 WeakPolarHBondContact O-CB 3.46Å; S348-Q351 PolarHBondContact O-N 2.9Å; S348-Q351 PolarHBondContact OG-OE1 2.9Å
349R94.8Very high86Confident153 Ų15347.3 Ų47.358%0.57726%0.262SS*.THydrogen-bonded Turntrans-45.3126.8179.3176.3172.6179.5109.3-6.5113.1F273 V319 E320 Q351F273-R349 HydrophobicContact CE2-CG 4.02Å; V319-R349 WeakPolarHBondContact O-CA 3.34Å; E320-R349 WeakPolarHBondContact O-CD 3.38Å; E320-R349 VanDerWaalsContact O-CG 3.25Å; E320-R349 WeakPolarHBondContact O-CG 3.13Å; E320-R349 PolarHBondContact O-NH1 2.9Å; R349-Q351 VanDerWaalsContact C-N 3.29Å
350G91.4Very high87.7Confident18 Ų1842 Ų4219%0.18624%0.235CC..THydrogen-bonded Turntrans86.7-9.2179.400000114.4L277 V319 S348L277-G350 WeakPolarHBondContact CD2-O 3.13Å; V319-G350 PolarHBondContact O-N 3.4Å; S348-G350 PolarHBondContact O-N 2.91Å
351Q92.5Very high88.5Confident89 Ų8947.5 Ų47.542%0.41626%0.255SS..  trans-85.3156.2170.8-59.7-179.8-70.900110.4V319 C347 S348 R349V319-Q351 PolarHBondContact N-O 2.91Å; C347-Q351 HydrophobicContact CB-CB 4.09Å; S348-Q351 VanDerWaalsContact O-CB 3.3Å; S348-Q351 WeakPolarHBondContact O-CB 3.46Å; S348-Q351 PolarHBondContact O-N 2.9Å; S348-Q351 PolarHBondContact OG-OE1 2.9Å; R349-Q351 VanDerWaalsContact C-N 3.29Å
352Y92.4Very high88.9Confident24 Ų2448 Ų489%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-122.7162.9-178.866.8-96.2000110.9F279 F316 F317 E355 N398F279-Y352 HydrophobicContact CB-CE1 4.2Å; F279-Y352 AromaticContact CD1-CD1 3.53Å; F279-Y352 HydrophobicContact CD1-CD1 3.53Å; F279-Y352 AromaticContact CD1-CE1 3.69Å; F279-Y352 HydrophobicContact CD1-CE1 3.69Å; F279-Y352 HydrophobicContact CD2-CD1 4.26Å; F279-Y352 HydrophobicContact CD2-CE1 4.24Å; F279-Y352 AromaticContact CE1-CD1 3.42Å; F279-Y352 HydrophobicContact CE1-CD1 3.42Å; F279-Y352 VanDerWaalsContact CE1-CD1 3.42Å; F279-Y352 HydrophobicContact CE1-CE1 4.08Å; F279-Y352 HydrophobicContact CE1-CG 4.28Å; F279-Y352 HydrophobicContact CE2-CD1 4.15Å; F279-Y352 AromaticContact CG-CD1 3.97Å; F279-Y352 HydrophobicContact CG-CD1 3.97Å; F279-Y352 AromaticContact CG-CE1 3.79Å; F279-Y352 HydrophobicContact CG-CE1 3.79Å; F279-Y352 AromaticContact CZ-CD1 3.76Å; F279-Y352 HydrophobicContact CZ-CD1 3.76Å; F279-Y352 HydrophobicContact CZ-CG 4.23Å; F316-Y352 AromaticContact CE2-CD2 3.53Å; F316-Y352 HydrophobicContact CE2-CD2 3.53Å; F316-Y352 HydrophobicContact CE2-CE2 4.41Å; F316-Y352 AromaticContact CE2-CG 3.8Å; F316-Y352 HydrophobicContact CE2-CG 3.8Å; F316-Y352 VanDerWaalsContact CZ-CB 3.49Å; F316-Y352 HydrophobicContact CZ-CD2 4.07Å; F316-Y352 AromaticContact CZ-CG 3.85Å; F316-Y352 HydrophobicContact CZ-CG 3.85Å; F317-Y352 CarbonylContact O-C 3.51Å; F317-Y352 WeakPolarHBondContact O-CA 3.33Å; F317-Y352 VanDerWaalsContact O-CB 3.3Å; F317-Y352 WeakPolarHBondContact O-CB 3.27Å; Y352-E355 HydrophobicContact CD2-CB 4.3Å; Y352-E355 HydrophobicContact CD2-CG 4.22Å; Y352-E355 HydrophobicContact CE2-CB 4.13Å; Y352-E355 VanDerWaalsContact CE2-CD 3.41Å; Y352-E355 HydrophobicContact CE2-CG 3.66Å; Y352-E355 WeakPolarHBondContact CE2-OE1 3.37Å; Y352-N398 PolarHBondContact OH-ND2 3.12Å
353F93Very high89.1Confident4 Ų449.7 Ų49.72%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-155.9164174.762.2-84.6000111.2I306 I307 F317 V319 V324 I326 C347 E355 A368I306-F353 HydrophobicContact CD1-CZ 4.06Å; I306-F353 HydrophobicContact CG2-CE2 3.91Å; I306-F353 HydrophobicContact CG2-CZ 3.9Å; I307-F353 HydrophobicContact CD1-CD2 3.99Å; I307-F353 HydrophobicContact CD1-CE2 4.34Å; F317-F353 HydrophobicContact CB-CD1 4.14Å; F317-F353 HydrophobicContact CB-CD2 4.16Å; F317-F353 HydrophobicContact CB-CE1 3.65Å; F317-F353 HydrophobicContact CB-CE2 3.68Å; F317-F353 HydrophobicContact CB-CG 4.37Å; F317-F353 HydrophobicContact CB-CZ 3.4Å; F317-F353 HydrophobicContact CD2-CD2 4.38Å; F317-F353 AromaticContact CD2-CE2 3.83Å; F317-F353 HydrophobicContact CD2-CE2 3.83Å; F317-F353 HydrophobicContact CD2-CZ 4.3Å; F317-F353 AromaticContact CG-CE2 3.87Å; F317-F353 HydrophobicContact CG-CE2 3.87Å; F317-F353 AromaticContact CG-CZ 3.85Å; F317-F353 HydrophobicContact CG-CZ 3.85Å; F317-F353 PolarHBondContact N-O 3.36Å; F317-F353 VanDerWaalsContact N-O 3.11Å; F317-F353 PolarHBondContact O-N 2.75Å; V319-F353 HydrophobicContact CG2-CD1 4.11Å; V319-F353 HydrophobicContact CG2-CE1 3.75Å; V324-F353 HydrophobicContact CB-CE1 4.36Å; V324-F353 HydrophobicContact CG1-CE1 4.16Å; V324-F353 HydrophobicContact CG1-CZ 4.16Å; V324-F353 HydrophobicContact CG2-CE1 4.08Å; V324-F353 HydrophobicContact CG2-CZ 4.37Å; I326-F353 HydrophobicContact CD1-CB 3.92Å; C347-F353 HydrophobicContact CB-CD1 4.37Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-A368 HydrophobicContact CD2-CB 4.21Å; F353-A368 HydrophobicContact CE2-CB 4.06Å
354G89.7Confident89.2Confident11 Ų1146.9 Ų46.911%0.11325%0.246CC..SBendtrans83.36.5178.400000114.3R364G354-R364 VanDerWaalsContact CA-NH1 3.32Å; G354-R364 PolarHBondContact O-NH1 3.27Å
355E87.3Confident89.2Confident5 Ų546.4 Ų46.42%0.02325%0.249CC..Hα-helixtrans-66.3-35.6171.780.4-72-161.300112.6F316 Y352 F353 A357 L358 V359 M395 Y402F316-E355 HydrophobicContact CD2-CB 3.97Å; F316-E355 HydrophobicContact CE2-CB 4.03Å; Y352-E355 HydrophobicContact CD2-CB 4.3Å; Y352-E355 HydrophobicContact CD2-CG 4.22Å; Y352-E355 HydrophobicContact CE2-CB 4.13Å; Y352-E355 VanDerWaalsContact CE2-CD 3.41Å; Y352-E355 HydrophobicContact CE2-CG 3.66Å; Y352-E355 WeakPolarHBondContact CE2-OE1 3.37Å; F353-E355 VanDerWaalsContact C-N 3.32Å; E355-A357 VanDerWaalsContact C-N 3.3Å; E355-A357 PolarHBondContact O-N 3.36Å; E355-L358 WeakPolarHBondContact O-CB 3.44Å; E355-L358 PolarHBondContact O-N 2.92Å; E355-V359 WeakPolarHBondContact O-CG2 3.35Å; E355-V359 PolarHBondContact O-N 3.29Å; E355-M395 HydrophobicContact CB-SD 4.11Å; E355-Y402 WeakPolarHBondContact OE1-CE2 3.14Å; E355-Y402 PolarHBondContact OE1-OH 3.17Å
356L85.5Confident89.3Confident23 Ų2345.4 Ų45.412%0.1224%0.24CC..Hα-helixtrans-60.5-42.8-168-179.962.5000111.9L358 V359 T360 A365 I399 I416L356-L358 VanDerWaalsContact C-N 3.29Å; L356-L358 PolarHBondContact O-N 3.47Å; L356-V359 PolarHBondContact O-N 2.89Å; L356-T360 HydrophobicContact CD1-CG2 3.87Å; L356-T360 WeakPolarHBondContact O-CB 3.43Å; L356-T360 WeakPolarHBondContact O-CG2 3.47Å; L356-T360 PolarHBondContact O-N 3.26Å; L356-T360 PolarHBondContact O-OG1 3.41Å; L356-A365 HydrophobicContact CD2-CB 4.12Å; L356-I399 HydrophobicContact CD1-CB 4.41Å; L356-I399 HydrophobicContact CD1-CD1 3.8Å; L356-I399 HydrophobicContact CD1-CG1 3.83Å; L356-I399 HydrophobicContact CD1-CG2 3.76Å; L356-I416 HydrophobicContact CD2-CB 4.18Å; L356-I416 HydrophobicContact CD2-CD1 4.07Å; L356-I416 HydrophobicContact CD2-CG2 4.44Å
357A83.6Confident89.3Confident7 Ų740.4 Ų40.46%0.05822%0.223CC..Hα-helixtrans-69.1-28.8179.600000112.6A313 E355 N361 K362A313-A357 HydrophobicContact CB-CB 3.26Å; E355-A357 VanDerWaalsContact C-N 3.3Å; E355-A357 PolarHBondContact O-N 3.36Å; A357-N361 VanDerWaalsContact O-CA 3.29Å; A357-N361 WeakPolarHBondContact O-CA 3.35Å; A357-N361 PolarHBondContact O-N 2.97Å; A357-K362 WeakPolarHBondContact CA-O 3.31Å; A357-K362 VanDerWaalsContact CB-O 3.25Å; A357-K362 WeakPolarHBondContact CB-O 3.38Å; A357-K362 PolarHBondContact O-N 2.72Å
358L84Confident89.4Confident17 Ų1740 Ų409%0.08922%0.22CC..Hα-helixtrans-75.5-39.9175-55.3-179.8000111.3A313 F316 E355 L356 V381 F384A313-L358 HydrophobicContact CB-CD2 3.82Å; F316-L358 HydrophobicContact CB-CD1 3.68Å; E355-L358 WeakPolarHBondContact O-CB 3.44Å; E355-L358 PolarHBondContact O-N 2.92Å; L356-L358 VanDerWaalsContact C-N 3.29Å; L356-L358 PolarHBondContact O-N 3.47Å; L358-V381 HydrophobicContact CD2-CB 3.9Å; L358-V381 HydrophobicContact CD2-CG2 3.78Å; L358-F384 HydrophobicContact CB-CD1 4.4Å; L358-F384 HydrophobicContact CB-CE1 4.27Å; L358-F384 HydrophobicContact CD1-CB 4.4Å; L358-F384 HydrophobicContact CD1-CD1 4.15Å; L358-F384 HydrophobicContact CD1-CD2 4.09Å; L358-F384 HydrophobicContact CD1-CE1 4.48Å; L358-F384 HydrophobicContact CD1-CE2 4.43Å; L358-F384 HydrophobicContact CD1-CG 3.96Å
359V83.9Confident89.4Confident36 Ų3639.9 Ų39.922%0.21821%0.213CC..Hα-helixtrans-73.6-36.9179.9178.20000112.1E355 L356 K396 I399E355-V359 WeakPolarHBondContact O-CG2 3.35Å; E355-V359 PolarHBondContact O-N 3.29Å; L356-V359 PolarHBondContact O-N 2.89Å; V359-K396 HydrophobicContact CG1-CG 3.86Å; V359-I399 HydrophobicContact CB-CD1 4.27Å; V359-I399 HydrophobicContact CG1-CD1 3.83Å
360T81.8Confident89.6Confident37 Ų3732.7 Ų32.723%0.22719%0.187CC..Hα-helixtrans-93.7-8.2-177.259.40000113.7L356 K362L356-T360 HydrophobicContact CD1-CG2 3.87Å; L356-T360 WeakPolarHBondContact O-CB 3.43Å; L356-T360 WeakPolarHBondContact O-CG2 3.47Å; L356-T360 PolarHBondContact O-N 3.26Å; L356-T360 PolarHBondContact O-OG1 3.41Å; T360-K362 PolarHBondContact O-N 3.46Å
361N82.9Confident89.8Confident155 Ų15534.5 Ų34.583%0.82919%0.191SC*.THydrogen-bonded Turntrans51.235.5-173.2-157.127.9000113.3A357A357-N361 VanDerWaalsContact O-CA 3.29Å; A357-N361 WeakPolarHBondContact O-CA 3.35Å; A357-N361 PolarHBondContact O-N 2.97Å
362K86Confident90Very high60 Ų6031.6 Ų31.626%0.26119%0.186SC..  trans-111.8161.2177.8-72.9179.7179.2175.40110.3A357 T360 D415A357-K362 WeakPolarHBondContact CA-O 3.31Å; A357-K362 VanDerWaalsContact CB-O 3.25Å; A357-K362 WeakPolarHBondContact CB-O 3.38Å; A357-K362 PolarHBondContact O-N 2.72Å; T360-K362 PolarHBondContact O-N 3.46Å; K362-D415 PolarHBondContact NZ-O 3.49Å
363P89.8Confident90.2Very high81 Ų8135.3 Ų35.353%0.52621%0.211SC..  trans-58.3160.4171.5-21.732.8000112.7G310 D311 A365G310-P363 WeakPolarHBondContact O-CB 3.3Å; D311-P363 CarbonylContact O-C 3.59Å; D311-P363 WeakPolarHBondContact O-CA 3.3Å; P363-A365 PolarHBondContact O-N 3.11Å; P363-A365 VanDerWaalsContact O-N 3.17Å
364R92.3Very high90.4Very high8 Ų835.1 Ų35.13%0.0321%0.21CC..  trans-53.5120.8178.5-64.2-63.7-174-173.91.1111A308 Q309 G310 D311 D314 S315 G354 A366A308-R364 WeakPolarHBondContact O-CB 3.39Å; Q309-R364 WeakPolarHBondContact CA-O 3.43Å; G310-R364 PolarHBondContact N-O 3.45Å; D311-R364 HydrophobicContact CB-CG 4.42Å; D311-R364 WeakPolarHBondContact O-CG 3.4Å; D311-R364 PolarHBondContact O-N 3.39Å; D314-R364 IonicContact OD1-NH2 2.61Å; D314-R364 PolarHBondContact OD1-NH2 3.24Å; S315-R364 PolarHBondContact O-NH1 3.02Å; S315-R364 PolarHBondContact O-NH2 3.13Å; G354-R364 VanDerWaalsContact CA-NH1 3.32Å; G354-R364 PolarHBondContact O-NH1 3.27Å; R364-A366 VanDerWaalsContact C-N 3.33Å; R364-A366 PolarHBondContact O-N 2.93Å
365A88.9Confident90.6Very high32 Ų3237 Ų3726%0.26422%0.215SC..SBendtrans-71.7-26.6-179.200000113.6Q309 M328 L356 P363 I416Q309-A365 VanDerWaalsContact CD-O 3.24Å; Q309-A365 WeakPolarHBondContact CG-O 3.33Å; Q309-A365 PolarHBondContact NE2-O 2.9Å; M328-A365 WeakPolarHBondContact CG-O 3.27Å; L356-A365 HydrophobicContact CD2-CB 4.12Å; P363-A365 PolarHBondContact O-N 3.11Å; P363-A365 VanDerWaalsContact O-N 3.17Å; A365-I416 HydrophobicContact CB-CG2 3.88Å
366A91.3Very high91Very high13 Ų1336.8 Ų36.811%0.10721%0.214CC..SBendtrans-144.1161.4-175.700000111I326 T327 M328 I344 R364I326-A366 HydrophobicContact CG2-CB 3.66Å; T327-A366 WeakPolarHBondContact O-CB 3.46Å; M328-A366 HydrophobicContact CB-CB 4.15Å; M328-A366 HydrophobicContact CG-CB 4.46Å; I344-A366 HydrophobicContact CD1-CB 3.88Å; R364-A366 VanDerWaalsContact C-N 3.33Å; R364-A366 PolarHBondContact O-N 2.93Å
367S94.4Very high91.4Very high10 Ų1035.8 Ų35.87%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-94.9146.8172.6-52.90000110I307 Q309 I326 T327I307-S367 CarbonylContact O-C 3.57Å; I307-S367 WeakPolarHBondContact O-CA 3.48Å; I307-S367 WeakPolarHBondContact O-CB 3.31Å; Q309-S367 WeakPolarHBondContact CB-OG 3.44Å; Q309-S367 PolarHBondContact N-OG 3.27Å; I326-S367 WeakPolarHBondContact CA-O 3.42Å; T327-S367 PolarHBondContact N-O 3.43Å; T327-S367 PolarHBondContact O-N 2.85Å; T327-S367 VanDerWaalsContact O-O 3.11Å; T327-S367 PolarHBondContact OG1-O 2.84Å
368A96.2Very high91.9Very high0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-124.1136.6174.100000110.8I306 I307 V324 K325 I326 F353I306-A368 PolarHBondContact N-O 2.88Å; I307-A368 HydrophobicContact CD1-CB 4Å; I307-A368 HydrophobicContact CG1-CB 3.5Å; I307-A368 VanDerWaalsContact CG1-CB 3.5Å; I307-A368 PolarHBondContact N-O 3.14Å; I307-A368 PolarHBondContact O-N 2.98Å; V324-A368 HydrophobicContact CG1-CB 3.7Å; K325-A368 CarbonylContact O-C 3.57Å; K325-A368 VanDerWaalsContact O-CA 3.29Å; K325-A368 WeakPolarHBondContact O-CA 3.37Å; I326-A368 HydrophobicContact CG1-CB 4.34Å; F353-A368 HydrophobicContact CD2-CB 4.21Å; F353-A368 HydrophobicContact CE2-CB 4.06Å
369H96.8Very high92.3Very high54 Ų5435.2 Ų35.225%0.2521%0.206CC..EExtended strand (participates in β ladder)trans-128144.8-178.8-57.882.7000110.2E304 V324 K325E304-H369 WeakPolarHBondContact O-CA 3.28Å; V324-H369 CarbonylContact C-O 3.44Å; V324-H369 WeakPolarHBondContact CA-O 3.46Å; K325-H369 PolarHBondContact N-O 2.83Å; K325-H369 PolarHBondContact O-N 2.76Å
370A97.9Very high92.7Very high3 Ų336.6 Ų36.63%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-72.1136.8174.900000111.3N301 G303 E304 I306 V374N301-A370 VanDerWaalsContact O-CB 3.25Å; N301-A370 WeakPolarHBondContact O-CB 3.09Å; G303-A370 WeakPolarHBondContact CA-O 3.47Å; G303-A370 PolarHBondContact N-O 2.81Å; E304-A370 PolarHBondContact O-N 3.17Å; I306-A370 HydrophobicContact CD1-CB 4.47Å; A370-V374 HydrophobicContact CB-CB 3.91Å; A370-V374 HydrophobicContact CB-CG2 3.58Å
371I96.4Very high92.9Very high55 Ų5536.7 Ų36.728%0.28221%0.213SC..EExtended strand (participates in β ladder)trans-107.5110.9166.5-52.4178.4000107.1E323 K325E323-I371 HydrophobicContact CB-CB 4.28Å; E323-I371 HydrophobicContact CG-CD1 4.14Å; E323-I371 WeakPolarHBondContact O-CA 3.22Å; E323-I371 WeakPolarHBondContact O-CB 3.34Å; E323-I371 PolarHBondContact O-N 3.42Å; K325-I371 HydrophobicContact CB-CD1 3.87Å; K325-I371 HydrophobicContact CB-CG1 3.9Å
372G95.3Very high93Very high29 Ų2935.9 Ų35.930%0.29920%0.204SC..EExtended strand (participates in β ladder)trans70.1-164-168.600000112.7N301 D302 V374N301-G372 CarbonylContact C-O 3.53Å; D302-G372 WeakPolarHBondContact CA-O 3.48Å; D302-G372 PolarHBondContact N-O 3.13Å; D302-G372 PolarHBondContact OD1-N 2.82Å; G372-V374 PolarHBondContact O-N 3.12Å
373T96.3Very high93.1Very high101 Ų10133 Ų3362%0.6219%0.192SC*.EExtended strand (participates in β ladder)trans-73.5115.9173-52.50000109.8V299V299-T373 HydrophobicContact CG1-CG2 4.18Å
374V97.3Very high92.8Very high0 Ų029.3 Ų29.30%017%0.167CC..EExtended strand (participates in β ladder)trans-112136.2-178.8175.20000110.1V299 Y300 S321 E323 V324 A370 G372 C376V299-V374 CarbonylContact C-O 3.55Å; V299-V374 WeakPolarHBondContact CA-O 3.38Å; Y300-V374 PolarHBondContact N-O 2.92Å; Y300-V374 PolarHBondContact O-N 3.02Å; S321-V374 WeakPolarHBondContact O-CA 3.47Å; E323-V374 WeakPolarHBondContact O-CG2 3.45Å; V324-V374 HydrophobicContact CG2-CG1 3.66Å; V324-V374 HydrophobicContact CG2-CG2 4.35Å; A370-V374 HydrophobicContact CB-CB 3.91Å; A370-V374 HydrophobicContact CB-CG2 3.58Å; G372-V374 PolarHBondContact O-N 3.12Å; V374-C376 VanDerWaalsContact CG1-SG 3.56Å
375K95.3Very high92.3Very high52 Ų5234.7 Ų34.723%0.22619%0.193CC..EExtended strand (participates in β ladder)trans-115.6125.1169.8-168.6177.6174.5-148.50109Y270 T297 V299 E320 S321Y270-K375 PolarHBondContact OH-NZ 3.37Å; T297-K375 HydrophobicContact CG2-CD 4.13Å; T297-K375 HydrophobicContact CG2-CG 3.86Å; V299-K375 HydrophobicContact CG2-CG 4.14Å; E320-K375 WeakPolarHBondContact CA-O 3.4Å; E320-K375 HydrophobicContact CB-CB 4.45Å; E320-K375 HydrophobicContact CB-CG 4.47Å; E320-K375 WeakPolarHBondContact CB-O 3.22Å; E320-K375 PolarHBondContact N-O 3.1Å; E320-K375 IonicContact OE1-NZ 3.67Å; E320-K375 PolarHBondContact OE1-NZ 3.24Å; E320-K375 WeakPolarHBondContact OE2-CD 3.49Å; E320-K375 WeakPolarHBondContact OE2-CE 3.39Å; E320-K375 WeakPolarHBondContact OE2-CG 3.48Å; E320-K375 IonicContact OE2-NZ 3.44Å; E320-K375 PolarHBondContact OE2-NZ 3.27Å; S321-K375 PolarHBondContact N-O 3Å; S321-K375 PolarHBondContact O-N 2.86Å; S321-K375 VanDerWaalsContact OG-CB 3.31Å; S321-K375 WeakPolarHBondContact OG-CB 3.5Å
376C95.7Very high92.1Very high0 Ų041.3 Ų41.30%021%0.211CC..EExtended strand (participates in β ladder)trans-120144.4177.5-64.40000111.2K298 Y300 F317 I318 V374K298-C376 PolarHBondContact N-O 2.84Å; K298-C376 PolarHBondContact O-N 2.95Å; Y300-C376 HydrophobicContact CE2-CB 4.18Å; F317-C376 HydrophobicContact CD1-CB 4.21Å; I318-C376 CarbonylContact O-C 3.58Å; I318-C376 VanDerWaalsContact O-CA 3.24Å; I318-C376 WeakPolarHBondContact O-CA 3.42Å; V374-C376 VanDerWaalsContact CG1-SG 3.56Å
377L94.3Very high91.8Very high2 Ų241.7 Ų41.71%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-85.5127.5161.4-54.5178000108.1Y270 F273 I295 G296 F317 I318 E320Y270-L377 HydrophobicContact CD1-CD1 4.26Å; Y270-L377 HydrophobicContact CD1-CD2 4.16Å; Y270-L377 HydrophobicContact CE1-CD1 4.49Å; Y270-L377 HydrophobicContact CE1-CD2 3.64Å; Y270-L377 HydrophobicContact CE2-CD2 4.26Å; F273-L377 HydrophobicContact CD1-CD1 3.77Å; F273-L377 HydrophobicContact CE1-CD1 3.82Å; I295-L377 HydrophobicContact CD1-CD1 3.91Å; I295-L377 HydrophobicContact CD1-CD2 4.32Å; G296-L377 CarbonylContact O-C 3.49Å; G296-L377 VanDerWaalsContact O-CA 3.28Å; G296-L377 WeakPolarHBondContact O-CA 3.43Å; F317-L377 CarbonylContact C-O 3.51Å; F317-L377 VanDerWaalsContact CA-O 3.3Å; F317-L377 WeakPolarHBondContact CA-O 3.5Å; I318-L377 HydrophobicContact CB-CB 4.32Å; I318-L377 PolarHBondContact N-O 3.5Å; I318-L377 PolarHBondContact O-N 3.1Å; E320-L377 HydrophobicContact CB-CG 4.5Å
378A94.3Very high91.1Very high9 Ų941.3 Ų41.37%0.07421%0.208CC..EExtended strand (participates in β ladder)trans-115133.9-179.300000109.9G296 K298 F316 F317G296-A378 PolarHBondContact N-O 2.92Å; G296-A378 PolarHBondContact O-N 3.4Å; K298-A378 HydrophobicContact CD-CB 4.15Å; K298-A378 HydrophobicContact CG-CB 4.33Å; F316-A378 CarbonylContact O-C 3.54Å; F316-A378 WeakPolarHBondContact O-CA 3.28Å; F317-A378 HydrophobicContact CD1-CB 3.81Å; F317-A378 HydrophobicContact CE1-CB 3.66Å
379M92.4Very high90.1Very high3 Ų342.5 Ų42.52%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-126.2132176.5-176.5-176.9-63.800108.8V291 V294 I295 S315 F316 A383 F384 L388V291-M379 HydrophobicContact CB-CE 4.18Å; V291-M379 HydrophobicContact CG1-CE 3.48Å; V291-M379 VanDerWaalsContact CG1-CE 3.48Å; V291-M379 HydrophobicContact CG2-CE 4.07Å; V294-M379 HydrophobicContact CG2-CE 4.42Å; I295-M379 HydrophobicContact CG2-CE 3.68Å; S315-M379 CarbonylContact C-O 3.56Å; S315-M379 VanDerWaalsContact CA-O 3.23Å; S315-M379 WeakPolarHBondContact CA-O 3.02Å; F316-M379 HydrophobicContact CD1-CB 4.32Å; F316-M379 PolarHBondContact N-O 2.97Å; F316-M379 PolarHBondContact O-N 2.89Å; M379-A383 HydrophobicContact CG-CB 3.79Å; M379-A383 HydrophobicContact SD-CB 4.41Å; M379-F384 HydrophobicContact SD-CB 4.18Å; M379-L388 HydrophobicContact CE-CD1 4.22Å; M379-L388 HydrophobicContact SD-CD1 3.84Å; M379-L388 HydrophobicContact SD-CG 4.19Å
380D90.6Very high88.9Confident64 Ų6443.3 Ų43.334%0.34223%0.23SC..EExtended strand (participates in β ladder)trans-71.3159.3178.468.490.7000112.1D314 Q382 A383 F384D314-D380 CarbonylContact O-C 3.55Å; D314-D380 WeakPolarHBondContact O-CA 3.19Å; D380-Q382 VanDerWaalsContact C-N 3.28Å; D380-Q382 PolarHBondContact O-N 3.06Å; D380-Q382 WeakPolarHBondContact OD1-CA 3.29Å; D380-Q382 VanDerWaalsContact OD1-CB 3.31Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.5Å; D380-Q382 PolarHBondContact OD1-N 3.43Å; D380-A383 PolarHBondContact O-N 3.48Å; D380-A383 PolarHBondContact OD1-N 3.1Å; D380-A383 WeakPolarHBondContact OD2-CB 3.39Å; D380-F384 WeakPolarHBondContact O-CB 3.33Å; D380-F384 PolarHBondContact O-N 3.5Å
381V86.8Confident87.6Confident39 Ų3943.2 Ų43.224%0.23623%0.229CC..Hα-helixtrans-57.1-37.7-179.361.40000113.3D314 L358 F384 E385D314-V381 PolarHBondContact O-N 3.47Å; L358-V381 HydrophobicContact CD2-CB 3.9Å; L358-V381 HydrophobicContact CD2-CG2 3.78Å; V381-F384 WeakPolarHBondContact O-CB 3.44Å; V381-F384 PolarHBondContact O-N 3.29Å; V381-E385 WeakPolarHBondContact O-CG 3.34Å; V381-E385 PolarHBondContact O-N 3.06Å
382Q85.8Confident86.6Confident138 Ų13843.8 Ų43.865%0.64523%0.232SC*.Hα-helixtrans-72.7-40.2-176.4-56.4168.10.600110.5D380 R386D380-Q382 VanDerWaalsContact C-N 3.28Å; D380-Q382 PolarHBondContact O-N 3.06Å; D380-Q382 WeakPolarHBondContact OD1-CA 3.29Å; D380-Q382 VanDerWaalsContact OD1-CB 3.31Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.5Å; D380-Q382 PolarHBondContact OD1-N 3.43Å; Q382-R386 VanDerWaalsContact O-CB 3.26Å; Q382-R386 WeakPolarHBondContact O-CB 3.44Å; Q382-R386 PolarHBondContact O-N 3.27Å; Q382-R386 VanDerWaalsContact O-N 3.17Å
383A86.8Confident85.6Confident0 Ų047.4 Ų47.40%024%0.241CC..Hα-helixtrans-65.2-41.6171.200000111.7V294 M379 D380 R386 L387V294-A383 HydrophobicContact CB-CB 4.43Å; V294-A383 HydrophobicContact CG2-CB 4.02Å; M379-A383 HydrophobicContact CG-CB 3.79Å; M379-A383 HydrophobicContact SD-CB 4.41Å; D380-A383 PolarHBondContact O-N 3.48Å; D380-A383 PolarHBondContact OD1-N 3.1Å; D380-A383 WeakPolarHBondContact OD2-CB 3.39Å; A383-R386 PolarHBondContact O-N 2.96Å; A383-L387 VanDerWaalsContact O-CB 3.23Å; A383-L387 WeakPolarHBondContact O-CB 3.36Å; A383-L387 VanDerWaalsContact O-CG 3.31Å; A383-L387 WeakPolarHBondContact O-CG 3.18Å; A383-L387 PolarHBondContact O-N 3.44Å
384F83.4Confident84.5Confident3 Ų345.2 Ų45.21%0.01323%0.225CC..Hα-helixtrans-58.6-51.8177.4177.8-85000111.5F316 L358 M379 D380 V381 R386 L387 L388 M395F316-F384 HydrophobicContact CB-CD2 3.78Å; F316-F384 HydrophobicContact CB-CE2 4.26Å; F316-F384 HydrophobicContact CD1-CD2 4.16Å; F316-F384 HydrophobicContact CD1-CE2 4.42Å; F316-F384 HydrophobicContact CD2-CD2 4.35Å; F316-F384 HydrophobicContact CD2-CE2 4.02Å; F316-F384 HydrophobicContact CE2-CE2 4.44Å; F316-F384 AromaticContact CG-CD2 3.86Å; F316-F384 HydrophobicContact CG-CD2 3.86Å; F316-F384 AromaticContact CG-CE2 3.99Å; F316-F384 HydrophobicContact CG-CE2 3.99Å; L358-F384 HydrophobicContact CB-CD1 4.4Å; L358-F384 HydrophobicContact CB-CE1 4.27Å; L358-F384 HydrophobicContact CD1-CB 4.4Å; L358-F384 HydrophobicContact CD1-CD1 4.15Å; L358-F384 HydrophobicContact CD1-CD2 4.09Å; L358-F384 HydrophobicContact CD1-CE1 4.48Å; L358-F384 HydrophobicContact CD1-CE2 4.43Å; L358-F384 HydrophobicContact CD1-CG 3.96Å; M379-F384 HydrophobicContact SD-CB 4.18Å; D380-F384 WeakPolarHBondContact O-CB 3.33Å; D380-F384 PolarHBondContact O-N 3.5Å; V381-F384 WeakPolarHBondContact O-CB 3.44Å; V381-F384 PolarHBondContact O-N 3.29Å; F384-R386 PolarHBondContact O-N 3.33Å; F384-L387 PolarHBondContact O-N 3.46Å; F384-L388 HydrophobicContact CD2-CB 4.29Å; F384-L388 HydrophobicContact CD2-CD1 3.61Å; F384-L388 HydrophobicContact CD2-CG 4.4Å; F384-L388 HydrophobicContact CE2-CB 4.33Å; F384-L388 HydrophobicContact CE2-CD1 3.81Å; F384-L388 HydrophobicContact CG-CD1 4.47Å; F384-L388 WeakPolarHBondContact O-CA 3.38Å; F384-L388 VanDerWaalsContact O-CB 3.3Å; F384-L388 WeakPolarHBondContact O-CB 3.49Å; F384-L388 PolarHBondContact O-N 2.91Å; F384-M395 HydrophobicContact CE2-CE 3.8Å; F384-M395 HydrophobicContact CE2-SD 3.7Å; F384-M395 HydrophobicContact CZ-CE 4.09Å; F384-M395 HydrophobicContact CZ-SD 3.45Å; F384-M395 WeakPolarHBondContact CZ-SD 3.28Å
385E83.1Confident83.6Confident122 Ų12245.2 Ų45.257%0.5723%0.225SC*.Hα-helixtrans-63.4-41.9179.9-72.1179178.100112.2V381V381-E385 WeakPolarHBondContact O-CG 3.34Å; V381-E385 PolarHBondContact O-N 3.06Å
386R84.8Confident82.8Confident171 Ų17147.1 Ų47.165%0.64523%0.233SC*.Hα-helixtrans-69.7-35.6-178.2-176.517663.3-137-3.8113Q382 A383 F384Q382-R386 VanDerWaalsContact O-CB 3.26Å; Q382-R386 WeakPolarHBondContact O-CB 3.44Å; Q382-R386 PolarHBondContact O-N 3.27Å; Q382-R386 VanDerWaalsContact O-N 3.17Å; A383-R386 PolarHBondContact O-N 2.96Å; F384-R386 PolarHBondContact O-N 3.33Å
387L83.3Confident81.8Confident21 Ų2156.2 Ų56.211%0.1127%0.267CS..Hα-helixtrans-106.7-32.6-170.2-59.8177.9000113.7K290 V291 V294 A383 F384K290-L387 HydrophobicContact CB-CD1 4.31Å; K290-L387 HydrophobicContact CB-CD2 3.74Å; K290-L387 HydrophobicContact CD-CD2 4.05Å; V291-L387 HydrophobicContact CG2-CB 4.1Å; V291-L387 HydrophobicContact CG2-CD1 4.21Å; V294-L387 HydrophobicContact CG1-CD1 4.38Å; V294-L387 HydrophobicContact CG2-CD1 3.56Å; A383-L387 VanDerWaalsContact O-CB 3.23Å; A383-L387 WeakPolarHBondContact O-CB 3.36Å; A383-L387 VanDerWaalsContact O-CG 3.31Å; A383-L387 WeakPolarHBondContact O-CG 3.18Å; A383-L387 PolarHBondContact O-N 3.44Å; F384-L387 PolarHBondContact O-N 3.46Å
388L79.6Confident80.9Confident2 Ų259 Ų591%0.0128%0.282CS..Hα-helixtrans-104.811.3-175.9-59.1-175000113.3L280 L283 V291 F316 M379 F384 P390 C391 M392 M395L280-L388 HydrophobicContact CD2-CD2 3.59Å; L283-L388 HydrophobicContact CD1-CD2 3.62Å; V291-L388 HydrophobicContact CG2-CD2 3.97Å; F316-L388 HydrophobicContact CE1-CD1 4.35Å; M379-L388 HydrophobicContact CE-CD1 4.22Å; M379-L388 HydrophobicContact SD-CD1 3.84Å; M379-L388 HydrophobicContact SD-CG 4.19Å; F384-L388 HydrophobicContact CD2-CB 4.29Å; F384-L388 HydrophobicContact CD2-CD1 3.61Å; F384-L388 HydrophobicContact CD2-CG 4.4Å; F384-L388 HydrophobicContact CE2-CB 4.33Å; F384-L388 HydrophobicContact CE2-CD1 3.81Å; F384-L388 HydrophobicContact CG-CD1 4.47Å; F384-L388 WeakPolarHBondContact O-CA 3.38Å; F384-L388 VanDerWaalsContact O-CB 3.3Å; F384-L388 WeakPolarHBondContact O-CB 3.49Å; F384-L388 PolarHBondContact O-N 2.91Å; L388-P390 VanDerWaalsContact C-CD 3.43Å; L388-P390 VanDerWaalsContact C-N 3.29Å; L388-C391 HydrophobicContact CB-CB 4.44Å; L388-C391 WeakPolarHBondContact O-CA 3.31Å; L388-C391 WeakPolarHBondContact O-CB 3.43Å; L388-C391 PolarHBondContact O-N 3.48Å; L388-M392 PolarHBondContact O-N 2.69Å; L388-M395 HydrophobicContact CD1-CE 4.21Å
389G75.8Confident80.2Confident24 Ų2459.2 Ų59.225%0.24728%0.282CS..G310 helixtrans-44.3-47.1170.600000114C391 M392G389-C391 VanDerWaalsContact C-N 3.26Å; G389-C391 PolarHBondContact O-N 2.69Å; G389-M392 WeakPolarHBondContact O-CB 3.37Å; G389-M392 PolarHBondContact O-N 3.48Å
390P72.6Confident79.4Confident72 Ų7261.4 Ų61.447%0.46830%0.3SS..G310 helixtrans-62.9-27.7176.5-23.834.6000114.4L283 L388L283-P390 HydrophobicContact CD2-CB 4.16Å; L283-P390 HydrophobicContact CD2-CG 4.16Å; L388-P390 VanDerWaalsContact C-CD 3.43Å; L388-P390 VanDerWaalsContact C-N 3.29Å
391C69.6Low78.7Confident0 Ų061.5 Ų61.50%030%0.304CS..G310 helixtrans-87.2-8.2-178.6-650000113.2F279 S282 L388 G389 E393 I394 M395F279-C391 PolarHBondContact O-SG 3.02Å; F279-C391 VanDerWaalsContact O-SG 3.37Å; S282-C391 PolarHBondContact OG-SG 3.44Å; L388-C391 HydrophobicContact CB-CB 4.44Å; L388-C391 WeakPolarHBondContact O-CA 3.31Å; L388-C391 WeakPolarHBondContact O-CB 3.43Å; L388-C391 PolarHBondContact O-N 3.48Å; G389-C391 VanDerWaalsContact C-N 3.26Å; G389-C391 PolarHBondContact O-N 2.69Å; C391-E393 PolarHBondContact O-N 2.61Å; C391-I394 PolarHBondContact O-N 3.05Å; C391-M395 HydrophobicContact CB-CE 4.21Å; C391-M395 PolarHBondContact O-N 2.88Å; C391-M395 VanDerWaalsContact O-N 3.09Å
392M75.4Confident78.1Confident67 Ų6762.9 Ų62.933%0.3331%0.305SS..Hα-helixtrans-56.3-37.7-179.4-75.2-163-64.600112.4L388 G389 I394 M395 K396L388-M392 PolarHBondContact O-N 2.69Å; G389-M392 WeakPolarHBondContact O-CB 3.37Å; G389-M392 PolarHBondContact O-N 3.48Å; M392-I394 VanDerWaalsContact C-N 3.35Å; M392-I394 PolarHBondContact O-N 2.94Å; M392-M395 PolarHBondContact O-N 3.38Å; M392-K396 WeakPolarHBondContact O-CB 3.39Å; M392-K396 VanDerWaalsContact O-CG 3.31Å; M392-K396 WeakPolarHBondContact O-CG 3.14Å; M392-K396 PolarHBondContact O-N 3.01Å
393E73.7Confident77.7Confident106 Ų10659 Ų5950%0.49529%0.287SS..Hα-helixtrans-67.9-33.7179.5-66.1-55.513000112.7C391 K396 R397C391-E393 PolarHBondContact O-N 2.61Å; E393-K396 IonicContact OE1-NZ 3.31Å; E393-K396 PolarHBondContact OE1-NZ 2.72Å; E393-R397 WeakPolarHBondContact O-CG 3.43Å; E393-R397 PolarHBondContact O-N 3.1Å
394I75.3Confident77.2Confident54 Ų5465.7 Ų65.728%0.27732%0.318SS..Hα-helixtrans-67.8-43.7173.9-60.9172.2000109.5F279 C391 M392 R397F279-I394 HydrophobicContact CB-CG2 4.14Å; C391-I394 PolarHBondContact O-N 3.05Å; M392-I394 VanDerWaalsContact C-N 3.35Å; M392-I394 PolarHBondContact O-N 2.94Å; I394-R397 PolarHBondContact O-N 3.42Å
395M76.8Confident76.7Confident0 Ų069.8 Ų69.80%034%0.337CS..Hα-helixtrans-66-40.9179.5-64.3-176.6-170.600111.8F279 F316 E355 F384 L388 C391 M392 R397 N398 I399F279-M395 HydrophobicContact CD2-CE 3.87Å; F279-M395 HydrophobicContact CE2-CE 4.07Å; F316-M395 HydrophobicContact CE2-CE 4.49Å; F316-M395 HydrophobicContact CZ-CE 4.39Å; E355-M395 HydrophobicContact CB-SD 4.11Å; F384-M395 HydrophobicContact CE2-CE 3.8Å; F384-M395 HydrophobicContact CE2-SD 3.7Å; F384-M395 HydrophobicContact CZ-CE 4.09Å; F384-M395 HydrophobicContact CZ-SD 3.45Å; F384-M395 WeakPolarHBondContact CZ-SD 3.28Å; L388-M395 HydrophobicContact CD1-CE 4.21Å; C391-M395 HydrophobicContact CB-CE 4.21Å; C391-M395 PolarHBondContact O-N 2.88Å; C391-M395 VanDerWaalsContact O-N 3.09Å; M392-M395 PolarHBondContact O-N 3.38Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.43Å; M395-N398 PolarHBondContact O-N 3.05Å; M395-N398 VanDerWaalsContact O-N 3.15Å; M395-I399 PolarHBondContact O-N 3.05Å
396K78.2Confident76.3Confident93 Ų9364.6 Ų64.640%0.40431%0.313SS..Hα-helixtrans-59.2-37.1175.8-77.5176.3-171.8169.20113.2V359 M392 E393 N398 I399V359-K396 HydrophobicContact CG1-CG 3.86Å; M392-K396 WeakPolarHBondContact O-CB 3.39Å; M392-K396 VanDerWaalsContact O-CG 3.31Å; M392-K396 WeakPolarHBondContact O-CG 3.14Å; M392-K396 PolarHBondContact O-N 3.01Å; E393-K396 IonicContact OE1-NZ 3.31Å; E393-K396 PolarHBondContact OE1-NZ 2.72Å; K396-N398 VanDerWaalsContact C-N 3.29Å; K396-N398 PolarHBondContact O-N 3.46Å; K396-I399 HydrophobicContact CG-CD1 4.44Å; K396-I399 VanDerWaalsContact O-CB 3.32Å; K396-I399 WeakPolarHBondContact O-CB 3.34Å; K396-I399 PolarHBondContact O-N 3.37Å; K396-I399 VanDerWaalsContact O-N 3.14Å
397R75.9Confident76Confident190 Ų19060 Ų6072%0.71730%0.304SS*.Hα-helixtrans-62.1-37.6176.7-72.6175.3-175.4179.42112.4E393 I394 M395 I399 A400E393-R397 WeakPolarHBondContact O-CG 3.43Å; E393-R397 PolarHBondContact O-N 3.1Å; I394-R397 PolarHBondContact O-N 3.42Å; M395-R397 VanDerWaalsContact C-N 3.3Å; M395-R397 PolarHBondContact O-N 3.43Å; R397-I399 PolarHBondContact O-N 3.48Å; R397-A400 PolarHBondContact O-N 3.35Å
398N75.2Confident75.5Confident62 Ų6263.1 Ų63.133%0.33233%0.333SS..Hα-helixtrans-71.3-20.7178.3-66.6-12.6000112.4Y352 M395 K396 A400 T401 Y402Y352-N398 PolarHBondContact OH-ND2 3.12Å; M395-N398 PolarHBondContact O-N 3.05Å; M395-N398 VanDerWaalsContact O-N 3.15Å; K396-N398 VanDerWaalsContact C-N 3.29Å; K396-N398 PolarHBondContact O-N 3.46Å; N398-A400 VanDerWaalsContact C-N 3.33Å; N398-A400 PolarHBondContact O-N 3.24Å; N398-T401 WeakPolarHBondContact O-CB 3.07Å; N398-T401 PolarHBondContact O-N 3.07Å; N398-Y402 PolarHBondContact O-N 3.41Å
399I78.4Confident75Confident13 Ų1366.8 Ų66.87%0.06735%0.352CS..Hα-helixtrans-62.5-40.3176.1-58.5178000111.5L356 V359 M395 K396 R397 T401 Y402 E403 V417L356-I399 HydrophobicContact CD1-CB 4.41Å; L356-I399 HydrophobicContact CD1-CD1 3.8Å; L356-I399 HydrophobicContact CD1-CG1 3.83Å; L356-I399 HydrophobicContact CD1-CG2 3.76Å; V359-I399 HydrophobicContact CB-CD1 4.27Å; V359-I399 HydrophobicContact CG1-CD1 3.83Å; M395-I399 PolarHBondContact O-N 3.05Å; K396-I399 HydrophobicContact CG-CD1 4.44Å; K396-I399 VanDerWaalsContact O-CB 3.32Å; K396-I399 WeakPolarHBondContact O-CB 3.34Å; K396-I399 PolarHBondContact O-N 3.37Å; K396-I399 VanDerWaalsContact O-N 3.14Å; R397-I399 PolarHBondContact O-N 3.48Å; I399-T401 PolarHBondContact O-N 2.88Å; I399-Y402 WeakPolarHBondContact O-CB 3.49Å; I399-Y402 PolarHBondContact O-N 2.93Å; I399-E403 PolarHBondContact O-N 3.49Å; I399-E403 VanDerWaalsContact O-N 3.09Å; I399-V417 HydrophobicContact CG2-CG2 3.35Å
400A76.7Confident74.8Confident48 Ų4867.1 Ų67.140%0.39735%0.347SS..Hα-helixtrans-59.5-38.2177.800000111.8R397 N398 Y402 E403 E404R397-A400 PolarHBondContact O-N 3.35Å; N398-A400 VanDerWaalsContact C-N 3.33Å; N398-A400 PolarHBondContact O-N 3.24Å; A400-Y402 VanDerWaalsContact C-N 3.3Å; A400-Y402 PolarHBondContact O-N 2.89Å; A400-E403 PolarHBondContact O-N 2.98Å; A400-E404 PolarHBondContact O-N 3.34Å; A400-E404 VanDerWaalsContact O-N 3.15Å
401T75.9Confident74.7Confident67 Ų6766.9 Ų66.941%0.41136%0.357SS..Hα-helixtrans-64.4-35.4175.5-49.40000112N398 I399 Q405N398-T401 WeakPolarHBondContact O-CB 3.07Å; N398-T401 PolarHBondContact O-N 3.07Å; I399-T401 PolarHBondContact O-N 2.88Å; T401-Q405 WeakPolarHBondContact O-CG 3.45Å; T401-Q405 PolarHBondContact O-N 3.31Å; T401-Q405 VanDerWaalsContact O-N 3.09Å
402Y74.1Confident74.8Confident68 Ų6869.7 Ų69.727%0.26737%0.374SS..Hα-helixtrans-66.4-41.5173.9-58.3-43000111.8E355 N398 I399 A400 E404 Q405 L406E355-Y402 WeakPolarHBondContact OE1-CE2 3.14Å; E355-Y402 PolarHBondContact OE1-OH 3.17Å; N398-Y402 PolarHBondContact O-N 3.41Å; I399-Y402 WeakPolarHBondContact O-CB 3.49Å; I399-Y402 PolarHBondContact O-N 2.93Å; A400-Y402 VanDerWaalsContact C-N 3.3Å; A400-Y402 PolarHBondContact O-N 2.89Å; Y402-E404 VanDerWaalsContact C-N 3.33Å; Y402-E404 PolarHBondContact O-N 3.06Å; Y402-Q405 PolarHBondContact O-N 3.43Å; Y402-L406 WeakPolarHBondContact O-CB 3.33Å; Y402-L406 VanDerWaalsContact O-CG 3.26Å; Y402-L406 WeakPolarHBondContact O-CG 3.35Å; Y402-L406 PolarHBondContact O-N 3Å
403E77.1Confident74.7Confident55 Ų5568.5 Ų68.526%0.25737%0.37SS..Hα-helixtrans-58.6-45.6176.9-67-162.1120.900111.7I399 A400 Q405 L406 V407 N413 I416 V417I399-E403 PolarHBondContact O-N 3.49Å; I399-E403 VanDerWaalsContact O-N 3.09Å; A400-E403 PolarHBondContact O-N 2.98Å; E403-Q405 PolarHBondContact O-N 2.99Å; E403-L406 PolarHBondContact O-N 3.46Å; E403-V407 WeakPolarHBondContact O-CB 3.34Å; E403-V407 VanDerWaalsContact O-CG2 3.27Å; E403-V407 WeakPolarHBondContact O-CG2 3.39Å; E403-V407 PolarHBondContact O-N 3.35Å; E403-N413 HydrophobicContact CB-CB 4.37Å; E403-N413 HydrophobicContact CG-CB 4.41Å; E403-N413 PolarHBondContact OE1-ND2 2.86Å; E403-I416 HydrophobicContact CG-CD1 4.01Å; E403-I416 HydrophobicContact CG-CG1 4.19Å; E403-V417 HydrophobicContact CG-CG2 4.28Å; E403-V417 WeakPolarHBondContact OE1-CB 3.44Å
404E76.9Confident74.6Confident142 Ų14265.1 Ų65.166%0.66435%0.354SS*.Hα-helixtrans-59.8-44.5176.1-69.3177.2179.800112.1A400 Y402 V407 A408A400-E404 PolarHBondContact O-N 3.34Å; A400-E404 VanDerWaalsContact O-N 3.15Å; Y402-E404 VanDerWaalsContact C-N 3.33Å; Y402-E404 PolarHBondContact O-N 3.06Å; E404-V407 PolarHBondContact O-N 3.5Å; E404-A408 WeakPolarHBondContact O-CB 3.33Å; E404-A408 PolarHBondContact O-N 2.95Å
405Q73.1Confident74.4Confident89 Ų8967.7 Ų67.742%0.41637%0.368SS..Hα-helixtrans-64.8-41.1177.3-76-179-1000112.5T401 Y402 E403 A408 L409T401-Q405 WeakPolarHBondContact O-CG 3.45Å; T401-Q405 PolarHBondContact O-N 3.31Å; T401-Q405 VanDerWaalsContact O-N 3.09Å; Y402-Q405 PolarHBondContact O-N 3.43Å; E403-Q405 PolarHBondContact O-N 2.99Å; Q405-A408 PolarHBondContact O-N 3.4Å; Q405-L409 WeakPolarHBondContact O-CB 3.35Å; Q405-L409 WeakPolarHBondContact O-CG 3.39Å; Q405-L409 PolarHBondContact O-N 2.91Å
406L73.4Confident74.2Confident12 Ų1268.2 Ų68.26%0.06337%0.371CS..Hα-helixtrans-67.5-43178.7-70.3-173.9000111.4M328 I344 Y402 E403 A408 L409 F410 T412 N413 M414 I416M328-L406 HydrophobicContact CE-CD2 3.39Å; M328-L406 HydrophobicContact SD-CD2 4.21Å; I344-L406 HydrophobicContact CG2-CD2 4.47Å; Y402-L406 WeakPolarHBondContact O-CB 3.33Å; Y402-L406 VanDerWaalsContact O-CG 3.26Å; Y402-L406 WeakPolarHBondContact O-CG 3.35Å; Y402-L406 PolarHBondContact O-N 3Å; E403-L406 PolarHBondContact O-N 3.46Å; L406-A408 VanDerWaalsContact C-N 3.29Å; L406-A408 PolarHBondContact O-N 3.42Å; L406-L409 PolarHBondContact O-N 2.9Å; L406-F410 HydrophobicContact CD2-CD2 3.9Å; L406-F410 HydrophobicContact CD2-CE2 3.8Å; L406-F410 WeakPolarHBondContact O-CB 3.35Å; L406-F410 WeakPolarHBondContact O-CD2 3.4Å; L406-F410 PolarHBondContact O-N 3.36Å; L406-T412 CarbonylContact C-O 3.53Å; L406-T412 VanDerWaalsContact C-O 3.23Å; L406-T412 VanDerWaalsContact O-O 3.14Å; L406-N413 WeakPolarHBondContact CD1-O 3.33Å; L406-M414 HydrophobicContact CD1-CB 4.44Å; L406-I416 HydrophobicContact CD1-CD1 3.58Å; L406-I416 HydrophobicContact CD1-CG1 3.99Å; L406-I416 HydrophobicContact CD1-CG2 3.85Å
407V79.6Confident73.7Confident74 Ų7465.7 Ų65.745%0.44836%0.363SS..Hα-helixtrans-60.5-40.7174172.80000110.7E403 E404 G411 T412 N413E403-V407 WeakPolarHBondContact O-CB 3.34Å; E403-V407 VanDerWaalsContact O-CG2 3.27Å; E403-V407 WeakPolarHBondContact O-CG2 3.39Å; E403-V407 PolarHBondContact O-N 3.35Å; E404-V407 PolarHBondContact O-N 3.5Å; V407-G411 WeakPolarHBondContact O-CA 3.44Å; V407-G411 PolarHBondContact O-N 3.28Å; V407-T412 PolarHBondContact N-O 3.47Å; V407-N413 HydrophobicContact CG2-CB 4.03Å
408A71.6Confident72.7Confident87 Ų8763.7 Ų63.772%0.71936%0.362SS*.Hα-helixtrans-65.3-39176.900000113.5E404 Q405 L406E404-A408 WeakPolarHBondContact O-CB 3.33Å; E404-A408 PolarHBondContact O-N 2.95Å; Q405-A408 PolarHBondContact O-N 3.4Å; L406-A408 VanDerWaalsContact C-N 3.29Å; L406-A408 PolarHBondContact O-N 3.42Å
409L70.1Confident71.4Confident80 Ų8066.4 Ų66.442%0.41938%0.383SS..Hα-helixtrans-86.3-30.5-176-71.6172.4000114.3R330 I344 Q405 L406R330-L409 PolarHBondContact NH2-O 3.4Å; I344-L409 HydrophobicContact CB-CD1 4.44Å; I344-L409 HydrophobicContact CG2-CD1 4.12Å; Q405-L409 WeakPolarHBondContact O-CB 3.35Å; Q405-L409 WeakPolarHBondContact O-CG 3.39Å; Q405-L409 PolarHBondContact O-N 2.91Å; L406-L409 PolarHBondContact O-N 2.9Å
410F71.4Confident69.6Low31 Ų3172.5 Ų72.514%0.13642%0.421CS..Hα-helixtrans-123.4-10.5-170.6-58.3-80.7000113.8M328 R330 V342 I344 L406 T412M328-F410 HydrophobicContact CE-CD1 4.41Å; M328-F410 HydrophobicContact CE-CD2 3.54Å; M328-F410 HydrophobicContact CE-CE1 4.05Å; M328-F410 HydrophobicContact CE-CE2 3.1Å; M328-F410 HydrophobicContact CE-CG 4.2Å; M328-F410 HydrophobicContact CE-CZ 3.38Å; R330-F410 HydrophobicContact CG-CD1 3.66Å; R330-F410 HydrophobicContact CG-CE1 3.68Å; V342-F410 HydrophobicContact CB-CE1 3.95Å; V342-F410 HydrophobicContact CB-CZ 3.77Å; V342-F410 HydrophobicContact CG1-CE1 4.29Å; V342-F410 HydrophobicContact CG1-CZ 3.89Å; V342-F410 HydrophobicContact CG2-CE1 3.95Å; V342-F410 HydrophobicContact CG2-CZ 4.3Å; I344-F410 HydrophobicContact CG2-CE2 3.74Å; I344-F410 HydrophobicContact CG2-CZ 3.88Å; L406-F410 HydrophobicContact CD2-CD2 3.9Å; L406-F410 HydrophobicContact CD2-CE2 3.8Å; L406-F410 WeakPolarHBondContact O-CB 3.35Å; L406-F410 WeakPolarHBondContact O-CD2 3.4Å; L406-F410 PolarHBondContact O-N 3.36Å; F410-T412 HydrophobicContact CB-CG2 4.13Å; F410-T412 PolarHBondContact O-N 3.43Å
411G69.6Low67.3Low66 Ų6678.5 Ų78.568%0.6847%0.471SS*.SBendtrans73.85.5-173.600000114V407V407-G411 WeakPolarHBondContact O-CA 3.44Å; V407-G411 PolarHBondContact O-N 3.28Å
412T72.9Confident66.9Low59 Ų5979.1 Ų79.136%0.36247%0.474SS..SBendtrans-150149.3-179.4167.20000109L406 V407 F410 M414L406-T412 CarbonylContact C-O 3.53Å; L406-T412 VanDerWaalsContact C-O 3.23Å; L406-T412 VanDerWaalsContact O-O 3.14Å; V407-T412 PolarHBondContact N-O 3.47Å; F410-T412 HydrophobicContact CB-CG2 4.13Å; F410-T412 PolarHBondContact O-N 3.43Å; T412-M414 HydrophobicContact CG2-CG 4.17Å; T412-M414 HydrophobicContact CG2-SD 3.87Å; T412-M414 PolarHBondContact O-N 3.16Å; T412-M414 PolarHBondContact OG1-N 3.2Å
413N73.8Confident66.5Low43 Ų4379.7 Ų79.723%0.2349%0.485CS..  trans-76.82.8172.570.5-17.9000112.7E403 L406 V407 D415 I416E403-N413 HydrophobicContact CB-CB 4.37Å; E403-N413 HydrophobicContact CG-CB 4.41Å; E403-N413 PolarHBondContact OE1-ND2 2.86Å; L406-N413 WeakPolarHBondContact CD1-O 3.33Å; V407-N413 HydrophobicContact CG2-CB 4.03Å; N413-D415 PolarHBondContact O-N 3.36Å; N413-D415 VanDerWaalsContact O-N 3.12Å; N413-D415 PolarHBondContact OD1-N 3.18Å; N413-I416 WeakPolarHBondContact O-CG1 3.47Å; N413-I416 PolarHBondContact O-N 3.29Å
414M69.9Low65.9Low34 Ų3481.1 Ų81.117%0.16750%0.497CS..THydrogen-bonded Turntrans5825.5177.1-59.4-79.7-89.900114.1M328 L406 T412 I416M328-M414 HydrophobicContact CE-CE 3.77Å; M328-M414 HydrophobicContact CE-CG 3.95Å; M328-M414 HydrophobicContact CG-CE 4.41Å; M328-M414 HydrophobicContact SD-CE 3.98Å; M328-M414 HydrophobicContact SD-CG 4.39Å; L406-M414 HydrophobicContact CD1-CB 4.44Å; T412-M414 HydrophobicContact CG2-CG 4.17Å; T412-M414 HydrophobicContact CG2-SD 3.87Å; T412-M414 PolarHBondContact O-N 3.16Å; T412-M414 PolarHBondContact OG1-N 3.2Å; M414-I416 HydrophobicContact CB-CG2 4.46Å; M414-I416 PolarHBondContact O-N 3.33Å
415D72.7Confident65.3Low109 Ų10977.5 Ų77.558%0.58349%0.488SS*.THydrogen-bonded Turntrans56.528.1178.9-50.9-47.8000114.6K362 N413 V417K362-D415 PolarHBondContact NZ-O 3.49Å; N413-D415 PolarHBondContact O-N 3.36Å; N413-D415 VanDerWaalsContact O-N 3.12Å; N413-D415 PolarHBondContact OD1-N 3.18Å; D415-V417 VanDerWaalsContact C-N 3.25Å; D415-V417 PolarHBondContact O-N 3.48Å
416I72.1Confident64.8Low10 Ų1076.8 Ų76.85%0.05149%0.492CS..SBendtrans-66.3-27.5-178.461159.9000112.8L356 A365 E403 L406 N413 M414L356-I416 HydrophobicContact CD2-CB 4.18Å; L356-I416 HydrophobicContact CD2-CD1 4.07Å; L356-I416 HydrophobicContact CD2-CG2 4.44Å; A365-I416 HydrophobicContact CB-CG2 3.88Å; E403-I416 HydrophobicContact CG-CD1 4.01Å; E403-I416 HydrophobicContact CG-CG1 4.19Å; L406-I416 HydrophobicContact CD1-CD1 3.58Å; L406-I416 HydrophobicContact CD1-CG1 3.99Å; L406-I416 HydrophobicContact CD1-CG2 3.85Å; N413-I416 WeakPolarHBondContact O-CG1 3.47Å; N413-I416 PolarHBondContact O-N 3.29Å; M414-I416 HydrophobicContact CB-CG2 4.46Å; M414-I416 PolarHBondContact O-N 3.33Å
417V67.3Low64.2Low40 Ų4081.1 Ų81.124%0.24252%0.521CS..SBendtrans-124.3145.2172.2-168.30000108.4I399 E403 D415I399-V417 HydrophobicContact CG2-CG2 3.35Å; E403-V417 HydrophobicContact CG-CG2 4.28Å; E403-V417 WeakPolarHBondContact OE1-CB 3.44Å; D415-V417 VanDerWaalsContact C-N 3.25Å; D415-V417 PolarHBondContact O-N 3.48Å
418E55.9Low63.1Low148 Ų14881.6 Ų81.669%0.69253%0.526SS*.  trans-68.4140169.6-72.8-172.4168.400109.6T420E418-T420 PolarHBondContact O-N 3.36Å; E418-T420 VanDerWaalsContact O-N 3.14Å
419P45.9Very low62.5Low120 Ų12081.2 Ų81.278%0.77951%0.511SS*.  trans-57.9123.9175.125-33.1000108.6A421P419-A421 PolarHBondContact O-N 3.48Å
420T40.6Very low61.8Low141 Ų14181.3 Ų81.387%0.86552%0.519SS*.  trans-56111.5171.246.20000108.2E418E418-T420 PolarHBondContact O-N 3.36Å; E418-T420 VanDerWaalsContact O-N 3.14Å
421A29.8Very low61Low174 Ų17485.8 Ų85.8100%1.43855%0.554SS**  trans-71.70173.900000111.6P419P419-A421 PolarHBondContact O-N 3.48Å

Retrieved 421 of 421 residues in 1088.2 ms (Link to these results)

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