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HTH-type transcriptional regulator SarU

Positive regulator of RNAII and RNAIII in a cell density-dependent manner. It can contribute to the expression of virulence genes controlled by agr. May also regulate target genes via an agr-independent pathway (By similarity).

AlphaFold DB (Q2G1T7), UniProt , Accession Q99RD5, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene sarU, Length 247 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
1M80.3Confident91.7Very high50 Ų5070.5 Ų70.525%0.24632%0.321CS..  0146.90-168.4174-46.700106.9T5 F6 Y226 I229 K230 F233M1-T5 HydrophobicContact CG-CG2 4.03Å; M1-T5 HydrophobicContact SD-CG2 3.9Å; M1-F6 HydrophobicContact SD-CB 4.24Å; M1-F6 HydrophobicContact SD-CD2 3.96Å; M1-Y226 PolarHBondContact N-OH 2.7Å; M1-Y226 VanDerWaalsContact N-OH 3.11Å; M1-I229 HydrophobicContact CE-CG2 4.44Å; M1-K230 HydrophobicContact CB-CG 4.3Å; M1-K230 HydrophobicContact CE-CB 4.15Å; M1-K230 HydrophobicContact CE-CG 4.47Å; M1-K230 HydrophobicContact CG-CG 4.16Å; M1-F233 HydrophobicContact CE-CB 4.1Å; M1-F233 HydrophobicContact CE-CD2 3.48Å; M1-F233 VanDerWaalsContact CE-CD2 3.48Å; M1-F233 HydrophobicContact CE-CE2 4.09Å; M1-F233 HydrophobicContact CE-CG 4Å; M1-F233 HydrophobicContact SD-CB 3.69Å; M1-F233 HydrophobicContact SD-CD2 3.4Å; M1-F233 WeakPolarHBondContact SD-CD2 3.36Å; M1-F233 HydrophobicContact SD-CE2 4.38Å; M1-F233 HydrophobicContact SD-CG 3.98Å
2D87Confident92.1Very high76 Ų7665.3 Ų65.341%0.40630%0.297SS..  trans-70.2148.9173.67087.3000110Q4 T5 F6D2-Q4 VanDerWaalsContact C-N 3.3Å; D2-Q4 PolarHBondContact O-N 2.91Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.43Å; D2-Q4 PolarHBondContact OD1-N 3.03Å; D2-T5 VanDerWaalsContact CG-OG1 3.23Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 WeakPolarHBondContact OD1-CB 3.36Å; D2-T5 PolarHBondContact OD1-N 3.11Å; D2-T5 PolarHBondContact OD1-OG1 3.04Å; D2-T5 VanDerWaalsContact OD1-OG1 3.06Å; D2-T5 WeakPolarHBondContact OD2-CB 3.4Å; D2-T5 PolarHBondContact OD2-OG1 3.31Å; D2-F6 PolarHBondContact O-N 3.29Å
3Y89.7Confident92.3Very high169 Ų16962.2 Ų62.266%0.66328%0.284SS*.Hα-helixtrans-60.9-38.4-175.3177.9-108.3000112.1T5 F6 E7Y3-T5 PolarHBondContact O-N 3.38Å; Y3-F6 PolarHBondContact O-N 3.2Å; Y3-E7 HydrophobicContact CD1-CG 4.17Å; Y3-E7 HydrophobicContact CD2-CG 4.27Å; Y3-E7 HydrophobicContact CE1-CG 3.68Å; Y3-E7 HydrophobicContact CE2-CG 3.77Å; Y3-E7 WeakPolarHBondContact CE2-OE1 3.25Å; Y3-E7 HydrophobicContact CG-CG 4.43Å; Y3-E7 VanDerWaalsContact CZ-CG 3.43Å; Y3-E7 WeakPolarHBondContact O-CG 3.48Å; Y3-E7 PolarHBondContact O-N 3.3Å; Y3-E7 PolarHBondContact OH-OE1 3.24Å
4Q92.9Very high92.4Very high136 Ų13661.6 Ų61.664%0.63628%0.284SS*.Hα-helixtrans-66.5-40.5-177.4-63-176.8-3.500112.7D2 F6 K8D2-Q4 VanDerWaalsContact C-N 3.3Å; D2-Q4 PolarHBondContact O-N 2.91Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.43Å; D2-Q4 PolarHBondContact OD1-N 3.03Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; Q4-K8 WeakPolarHBondContact O-CG 3.39Å; Q4-K8 PolarHBondContact O-N 3.13Å
5T93.7Very high92.6Very high9 Ų958 Ų586%0.05527%0.268CS..Hα-helixtrans-60-47174.7-69.40000110.5M1 D2 Y3 K8 V9 F233M1-T5 HydrophobicContact CG-CG2 4.03Å; M1-T5 HydrophobicContact SD-CG2 3.9Å; D2-T5 VanDerWaalsContact CG-OG1 3.23Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 WeakPolarHBondContact OD1-CB 3.36Å; D2-T5 PolarHBondContact OD1-N 3.11Å; D2-T5 PolarHBondContact OD1-OG1 3.04Å; D2-T5 VanDerWaalsContact OD1-OG1 3.06Å; D2-T5 WeakPolarHBondContact OD2-CB 3.4Å; D2-T5 PolarHBondContact OD2-OG1 3.31Å; Y3-T5 PolarHBondContact O-N 3.38Å; T5-K8 PolarHBondContact O-N 3.22Å; T5-V9 WeakPolarHBondContact O-CG2 3.5Å; T5-V9 PolarHBondContact O-N 2.95Å; T5-V9 VanDerWaalsContact O-N 3.16Å; T5-F233 HydrophobicContact CG2-CB 3.85Å; T5-F233 WeakPolarHBondContact CG2-O 3.45Å
6F93.1Very high92.8Very high40 Ų4054.9 Ų54.918%0.17525%0.254CS..Hα-helixtrans-64.2-45.6-179-166.2-97000111.8M1 D2 Y3 Q4 K8 V9 N10 Y166 F233M1-F6 HydrophobicContact SD-CB 4.24Å; M1-F6 HydrophobicContact SD-CD2 3.96Å; D2-F6 PolarHBondContact O-N 3.29Å; Y3-F6 PolarHBondContact O-N 3.2Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; F6-K8 PolarHBondContact O-N 3.38Å; F6-V9 PolarHBondContact O-N 3.27Å; F6-N10 WeakPolarHBondContact O-CB 3.3Å; F6-N10 PolarHBondContact O-N 3.47Å; F6-Y166 AromaticContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD2-CD2 4.32Å; F6-Y166 AromaticContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CE1-CD2 4.43Å; F6-Y166 AromaticContact CE1-CE2 3.39Å; F6-Y166 HydrophobicContact CE1-CE2 3.39Å; F6-Y166 AromaticContact CE1-CZ 3.46Å; F6-Y166 VanDerWaalsContact CE1-CZ 3.46Å; F6-Y166 WeakPolarHBondContact CE1-OH 3.42Å; F6-Y166 AromaticContact CE2-CD2 3.75Å; F6-Y166 HydrophobicContact CE2-CD2 3.75Å; F6-Y166 AromaticContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CE2-CE2 3.49Å; F6-Y166 VanDerWaalsContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CG-CE2 4.14Å; F6-Y166 AromaticContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CE1 4.23Å; F6-Y166 AromaticContact CZ-CE2 3.16Å; F6-Y166 HydrophobicContact CZ-CE2 3.16Å; F6-Y166 AromaticContact CZ-CZ 3.39Å; F6-F233 HydrophobicContact CD2-CD2 4.44Å; F6-F233 HydrophobicContact CD2-CE2 4.4Å; F6-F233 HydrophobicContact CE2-CE2 4.4Å
7E93.5Very high92.9Very high70 Ų7052.8 Ų52.833%0.32725%0.248SC..Hα-helixtrans-60.5-40.3175.5-77.7-61141.500113.1Y3 V9 N10 K11Y3-E7 HydrophobicContact CD1-CG 4.17Å; Y3-E7 HydrophobicContact CD2-CG 4.27Å; Y3-E7 HydrophobicContact CE1-CG 3.68Å; Y3-E7 HydrophobicContact CE2-CG 3.77Å; Y3-E7 WeakPolarHBondContact CE2-OE1 3.25Å; Y3-E7 HydrophobicContact CG-CG 4.43Å; Y3-E7 VanDerWaalsContact CZ-CG 3.43Å; Y3-E7 WeakPolarHBondContact O-CG 3.48Å; Y3-E7 PolarHBondContact O-N 3.3Å; Y3-E7 PolarHBondContact OH-OE1 3.24Å; E7-V9 PolarHBondContact O-N 2.78Å; E7-N10 WeakPolarHBondContact O-CB 3.34Å; E7-N10 PolarHBondContact O-N 2.83Å; E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 3.28Å
8K94.7Very high93.1Very high89 Ų8949.8 Ų49.839%0.38723%0.234SC..Hα-helixtrans-62.8-42.7175.9-76.7173.2-179171.90111.9Q4 T5 F6 K11 F12 L240Q4-K8 WeakPolarHBondContact O-CG 3.39Å; Q4-K8 PolarHBondContact O-N 3.13Å; T5-K8 PolarHBondContact O-N 3.22Å; F6-K8 PolarHBondContact O-N 3.38Å; K8-K11 PolarHBondContact O-N 2.7Å; K8-F12 WeakPolarHBondContact O-CB 3.4Å; K8-F12 PolarHBondContact O-N 3.35Å; K8-L240 HydrophobicContact CB-CD1 4.24Å; K8-L240 WeakPolarHBondContact O-CD1 3.43Å
9V95.6Very high93.2Very high0 Ų047.6 Ų47.60%022%0.224CC..Hα-helixtrans-67-42.4176.8175.50000110.8T5 F6 E7 K11 F12 I13 L162 Y166 F233T5-V9 WeakPolarHBondContact O-CG2 3.5Å; T5-V9 PolarHBondContact O-N 2.95Å; T5-V9 VanDerWaalsContact O-N 3.16Å; F6-V9 PolarHBondContact O-N 3.27Å; E7-V9 PolarHBondContact O-N 2.78Å; V9-K11 PolarHBondContact O-N 3.44Å; V9-F12 WeakPolarHBondContact O-CB 3.49Å; V9-F12 PolarHBondContact O-N 3.37Å; V9-I13 HydrophobicContact CG1-CD1 4.15Å; V9-I13 WeakPolarHBondContact O-CG1 3.36Å; V9-I13 PolarHBondContact O-N 3.48Å; V9-L162 HydrophobicContact CG1-CD2 4.22Å; V9-L162 HydrophobicContact CG1-CG 4.39Å; V9-Y166 HydrophobicContact CB-CD2 4.41Å; V9-Y166 HydrophobicContact CG1-CD2 3.84Å; V9-F233 HydrophobicContact CB-CD2 4.27Å; V9-F233 HydrophobicContact CG1-CD2 4.15Å; V9-F233 HydrophobicContact CG1-CE1 4.48Å; V9-F233 HydrophobicContact CG1-CE2 4.08Å; V9-F233 HydrophobicContact CG1-CG 4.44Å; V9-F233 HydrophobicContact CG1-CZ 4.26Å; V9-F233 HydrophobicContact CG2-CB 4.01Å; V9-F233 HydrophobicContact CG2-CD2 4.06Å; V9-F233 HydrophobicContact CG2-CG 3.96Å
10N94.5Very high93.3Very high37 Ų3748.5 Ų48.520%0.19823%0.227CC..Hα-helixtrans-57.2-49.4174-171.125.7000111.8F6 E7 F12 I13 N14 Y166F6-N10 WeakPolarHBondContact O-CB 3.3Å; F6-N10 PolarHBondContact O-N 3.47Å; E7-N10 WeakPolarHBondContact O-CB 3.34Å; E7-N10 PolarHBondContact O-N 2.83Å; N10-F12 VanDerWaalsContact C-N 3.3Å; N10-F12 PolarHBondContact O-N 3.33Å; N10-I13 WeakPolarHBondContact O-CA 3.46Å; N10-I13 WeakPolarHBondContact O-CB 3.44Å; N10-I13 PolarHBondContact O-N 2.91Å; N10-N14 PolarHBondContact O-N 2.89Å; N10-N14 PolarHBondContact O-ND2 3.44Å; N10-N14 PolarHBondContact OD1-ND2 2.79Å; N10-Y166 HydrophobicContact CB-CE2 3.73Å; N10-Y166 WeakPolarHBondContact CB-OH 3.38Å; N10-Y166 PolarHBondContact ND2-OH 3.06Å; N10-Y166 PolarHBondContact OD1-OH 2.89Å
11K94.2Very high93.3Very high100 Ų10049.3 Ų49.344%0.43523%0.23SC..Hα-helixtrans-57.7-43.2175.9179.5178.4176.1173.90111.6E7 K8 V9 I13 N14 V15 W129E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 3.28Å; K8-K11 PolarHBondContact O-N 2.7Å; V9-K11 PolarHBondContact O-N 3.44Å; K11-I13 VanDerWaalsContact C-N 3.29Å; K11-I13 PolarHBondContact O-N 3.35Å; K11-N14 PolarHBondContact O-N 3.26Å; K11-V15 HydrophobicContact CG-CG2 4.24Å; K11-V15 WeakPolarHBondContact O-CB 3.31Å; K11-V15 VanDerWaalsContact O-CG2 3.22Å; K11-V15 WeakPolarHBondContact O-CG2 3.48Å; K11-V15 PolarHBondContact O-N 3.35Å; K11-W129 HydrophobicContact CD-CG 4.47Å; K11-W129 HydrophobicContact CG-CG 4.37Å
12F95.5Very high94.1Very high8 Ų846.9 Ų46.94%0.03522%0.218CC..Hα-helixtrans-60.2-40.4175.8173.7-130.3000111.9K8 V9 N10 E16 I144 S147 L151 F159 L162 L240K8-F12 WeakPolarHBondContact O-CB 3.4Å; K8-F12 PolarHBondContact O-N 3.35Å; V9-F12 WeakPolarHBondContact O-CB 3.49Å; V9-F12 PolarHBondContact O-N 3.37Å; N10-F12 VanDerWaalsContact C-N 3.3Å; N10-F12 PolarHBondContact O-N 3.33Å; F12-E16 WeakPolarHBondContact O-CB 3.46Å; F12-E16 PolarHBondContact O-N 2.76Å; F12-E16 VanDerWaalsContact O-N 3.07Å; F12-I144 HydrophobicContact CD2-CD1 3.29Å; F12-I144 HydrophobicContact CE2-CD1 3.26Å; F12-I144 HydrophobicContact CE2-CG1 4.47Å; F12-S147 VanDerWaalsContact CE2-CB 3.45Å; F12-S147 VanDerWaalsContact CZ-CB 3.45Å; F12-L151 HydrophobicContact CE1-CD1 4.05Å; F12-L151 HydrophobicContact CZ-CD1 4.44Å; F12-F159 HydrophobicContact CD1-CD2 4.4Å; F12-F159 AromaticContact CD1-CE2 3.99Å; F12-F159 HydrophobicContact CD1-CE2 3.99Å; F12-F159 AromaticContact CE1-CD2 3.61Å; F12-F159 HydrophobicContact CE1-CD2 3.61Å; F12-F159 AromaticContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE2-CD2 4.4Å; F12-F159 HydrophobicContact CE2-CE2 4.24Å; F12-F159 HydrophobicContact CG-CE2 4.42Å; F12-F159 AromaticContact CZ-CD2 3.61Å; F12-F159 HydrophobicContact CZ-CD2 3.61Å; F12-F159 AromaticContact CZ-CE2 3.78Å; F12-F159 HydrophobicContact CZ-CE2 3.78Å; F12-L162 HydrophobicContact CD1-CD2 3.64Å; F12-L162 HydrophobicContact CE1-CD2 3.56Å; F12-L240 HydrophobicContact CB-CD1 3.64Å; F12-L240 HydrophobicContact CB-CD2 3.85Å; F12-L240 HydrophobicContact CB-CG 4.41Å; F12-L240 HydrophobicContact CD1-CD1 4.41Å; F12-L240 HydrophobicContact CD1-CD2 4.13Å; F12-L240 HydrophobicContact CD2-CD2 3.64Å; F12-L240 HydrophobicContact CE2-CD2 4.18Å; F12-L240 HydrophobicContact CG-CD1 4.12Å; F12-L240 HydrophobicContact CG-CD2 3.62Å
13I95.3Very high94.4Very high24 Ų2445.2 Ų45.212%0.12321%0.211CC..Hα-helixtrans-63.5-46.7175.8-67.6165.6000111.4V9 N10 K11 E16 A17 F159 Y166V9-I13 HydrophobicContact CG1-CD1 4.15Å; V9-I13 WeakPolarHBondContact O-CG1 3.36Å; V9-I13 PolarHBondContact O-N 3.48Å; N10-I13 WeakPolarHBondContact O-CA 3.46Å; N10-I13 WeakPolarHBondContact O-CB 3.44Å; N10-I13 PolarHBondContact O-N 2.91Å; K11-I13 VanDerWaalsContact C-N 3.29Å; K11-I13 PolarHBondContact O-N 3.35Å; I13-E16 PolarHBondContact O-N 2.71Å; I13-A17 PolarHBondContact O-N 2.97Å; I13-F159 HydrophobicContact CB-CZ 4.37Å; I13-F159 HydrophobicContact CG1-CE2 4.38Å; I13-F159 HydrophobicContact CG1-CZ 4.17Å; I13-F159 HydrophobicContact CG2-CZ 4.49Å; I13-Y166 VanDerWaalsContact CD1-CB 3.42Å; I13-Y166 HydrophobicContact CD1-CD1 3.7Å; I13-Y166 HydrophobicContact CD1-CD2 3.96Å; I13-Y166 HydrophobicContact CD1-CE1 4.49Å; I13-Y166 HydrophobicContact CD1-CG 3.41Å; I13-Y166 VanDerWaalsContact CD1-CG 3.41Å
14N94.2Very high94.5Very high54 Ų5441 Ų4129%0.28920%0.197SC..Hα-helixtrans-64.3-42.1179.8-68.5-27.6000112.8N10 K11 A17 Y18 W129N10-N14 PolarHBondContact O-N 2.89Å; N10-N14 PolarHBondContact O-ND2 3.44Å; N10-N14 PolarHBondContact OD1-ND2 2.79Å; K11-N14 PolarHBondContact O-N 3.26Å; N14-A17 PolarHBondContact O-N 3.44Å; N14-Y18 WeakPolarHBondContact O-CB 3.43Å; N14-Y18 PolarHBondContact O-N 3.38Å; N14-W129 HydrophobicContact CB-CH2 4.32Å; N14-W129 HydrophobicContact CB-CZ2 3.85Å
15V95.3Very high94.5Very high8 Ų836.5 Ų36.55%0.04818%0.176CC..Hα-helixtrans-64.1-41.6176.2174.20000110.6K11 A17 Y18 I19 W129 L140 I144K11-V15 HydrophobicContact CG-CG2 4.24Å; K11-V15 WeakPolarHBondContact O-CB 3.31Å; K11-V15 VanDerWaalsContact O-CG2 3.22Å; K11-V15 WeakPolarHBondContact O-CG2 3.48Å; K11-V15 PolarHBondContact O-N 3.35Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 2.9Å; V15-Y18 WeakPolarHBondContact O-CB 3.38Å; V15-Y18 PolarHBondContact O-N 2.84Å; V15-I19 HydrophobicContact CG1-CD1 4.22Å; V15-I19 HydrophobicContact CG1-CG1 4.46Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.18Å; V15-I19 PolarHBondContact O-N 2.65Å; V15-W129 HydrophobicContact CB-CE3 4.43Å; V15-W129 HydrophobicContact CB-CZ3 4.37Å; V15-W129 HydrophobicContact CG2-CD2 3.76Å; V15-W129 HydrophobicContact CG2-CE3 3.44Å; V15-W129 VanDerWaalsContact CG2-CE3 3.44Å; V15-W129 HydrophobicContact CG2-CG 4.37Å; V15-W129 HydrophobicContact CG2-CH2 4.4Å; V15-W129 HydrophobicContact CG2-CZ3 3.8Å; V15-L140 HydrophobicContact CG1-CB 4.16Å; V15-L140 HydrophobicContact CG1-CD1 4.43Å; V15-L140 HydrophobicContact CG1-CD2 4.2Å; V15-I144 HydrophobicContact CB-CD1 4.13Å; V15-I144 HydrophobicContact CG1-CD1 3.77Å; V15-I144 HydrophobicContact CG1-CG1 3.86Å
16E95.6Very high94.5Very high8 Ų836.3 Ų36.34%0.03718%0.175CC..Hα-helixtrans-64.1-41.2178-162.5-78.6163.400112.1F12 I13 I19 F20 I144 K148 F159 R186F12-E16 WeakPolarHBondContact O-CB 3.46Å; F12-E16 PolarHBondContact O-N 2.76Å; F12-E16 VanDerWaalsContact O-N 3.07Å; I13-E16 PolarHBondContact O-N 2.71Å; E16-I19 PolarHBondContact O-N 2.87Å; E16-F20 PolarHBondContact O-N 3.22Å; E16-I144 HydrophobicContact CB-CD1 4.19Å; E16-I144 HydrophobicContact CB-CG2 4.44Å; E16-I144 HydrophobicContact CG-CG2 3.87Å; E16-K148 WeakPolarHBondContact OE1-CE 3.08Å; E16-K148 IonicContact OE1-NZ 3.94Å; E16-K148 PolarHBondContact OE1-NZ 3.35Å; E16-F159 HydrophobicContact CB-CD2 4.42Å; E16-F159 HydrophobicContact CB-CE1 3.77Å; E16-F159 HydrophobicContact CB-CE2 3.57Å; E16-F159 HydrophobicContact CB-CZ 3.2Å; E16-F159 HydrophobicContact CG-CD1 3.87Å; E16-F159 HydrophobicContact CG-CD2 4.05Å; E16-F159 HydrophobicContact CG-CE1 3.5Å; E16-F159 VanDerWaalsContact CG-CE1 3.5Å; E16-F159 HydrophobicContact CG-CE2 3.68Å; E16-F159 HydrophobicContact CG-CG 4.14Å; E16-F159 HydrophobicContact CG-CZ 3.4Å; E16-F159 WeakPolarHBondContact OE2-CE1 3.34Å; E16-R186 IonicContact OE1-CZ 3.46Å; E16-R186 IonicContact OE1-NH2 3.29Å; E16-R186 PolarHBondContact OE1-NH2 3.12Å; E16-R186 IonicContact OE2-CZ 3.73Å; E16-R186 IonicContact OE2-NE 3.85Å; E16-R186 PolarHBondContact OE2-NE 2.89Å; E16-R186 IonicContact OE2-NH2 2.78Å; E16-R186 PolarHBondContact OE2-NH2 3.19Å
17A94.3Very high94.4Very high19 Ų1941.8 Ų41.816%0.15720%0.198CC..Hα-helixtrans-62.2-45.9174.700000111.5I13 N14 V15 I19 F20 F21I13-A17 PolarHBondContact O-N 2.97Å; N14-A17 PolarHBondContact O-N 3.44Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 2.9Å; A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 3.04Å; A17-F20 WeakPolarHBondContact O-CB 3.47Å; A17-F20 PolarHBondContact O-N 2.92Å; A17-F21 HydrophobicContact CB-CE2 4.33Å; A17-F21 WeakPolarHBondContact O-CD2 3.4Å; A17-F21 PolarHBondContact O-N 3.4Å
18Y96.2Very high94.1Very high0 Ų045.8 Ų45.80%022%0.217CC..Hα-helixtrans-52.4-52173.5171.6-88.7000111.4N14 V15 F20 F21 L22 F118 N119 Y124 W129 P131 F137N14-Y18 WeakPolarHBondContact O-CB 3.43Å; N14-Y18 PolarHBondContact O-N 3.38Å; V15-Y18 WeakPolarHBondContact O-CB 3.38Å; V15-Y18 PolarHBondContact O-N 2.84Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; Y18-F20 PolarHBondContact O-N 3.2Å; Y18-F21 PolarHBondContact O-N 2.84Å; Y18-L22 HydrophobicContact CE1-CB 4.46Å; Y18-L22 HydrophobicContact CE1-CD2 3.77Å; Y18-L22 WeakPolarHBondContact O-CB 3.08Å; Y18-L22 PolarHBondContact O-N 3.29Å; Y18-L22 WeakPolarHBondContact OH-CD2 3.35Å; Y18-F118 HydrophobicContact CD2-CD1 4.42Å; Y18-F118 AromaticContact CD2-CE1 3.8Å; Y18-F118 HydrophobicContact CD2-CE1 3.8Å; Y18-F118 AromaticContact CE2-CD1 3.67Å; Y18-F118 HydrophobicContact CE2-CD1 3.67Å; Y18-F118 AromaticContact CE2-CE1 3.5Å; Y18-F118 HydrophobicContact CE2-CE1 3.5Å; Y18-N119 WeakPolarHBondContact CE2-OD1 3.07Å; Y18-N119 PolarHBondContact OH-OD1 3.44Å; Y18-N119 VanDerWaalsContact OH-OD1 3.07Å; Y18-Y124 AromaticContact CD2-CD1 3.71Å; Y18-Y124 HydrophobicContact CD2-CD1 3.71Å; Y18-Y124 AromaticContact CD2-CD2 3.68Å; Y18-Y124 HydrophobicContact CD2-CD2 3.68Å; Y18-Y124 AromaticContact CD2-CE1 3.76Å; Y18-Y124 HydrophobicContact CD2-CE1 3.76Å; Y18-Y124 AromaticContact CD2-CE2 3.72Å; Y18-Y124 HydrophobicContact CD2-CE2 3.72Å; Y18-Y124 AromaticContact CD2-CG 3.68Å; Y18-Y124 HydrophobicContact CD2-CG 3.68Å; Y18-Y124 AromaticContact CD2-CZ 3.77Å; Y18-Y124 HydrophobicContact CE2-CD1 4.37Å; Y18-Y124 AromaticContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CE2 4.23Å; Y18-Y124 AromaticContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CG-CE1 4.49Å; Y18-W129 HydrophobicContact CD2-CZ3 4.32Å; Y18-W129 HydrophobicContact CG-CH2 4.4Å; Y18-W129 AromaticContact CG-CZ3 3.98Å; Y18-W129 HydrophobicContact CG-CZ3 3.98Å; Y18-P131 HydrophobicContact CD1-CG 4.48Å; Y18-P131 HydrophobicContact CE1-CG 3.47Å; Y18-P131 VanDerWaalsContact CE1-CG 3.47Å; Y18-P131 WeakPolarHBondContact OH-CG 3.04Å; Y18-F137 HydrophobicContact CE1-CD2 4.14Å
19I95.8Very high93.7Very high7 Ų746.2 Ų46.24%0.03622%0.22CC..Hα-helixtrans-61-42.7-179.9-69.9-172.2000111V15 E16 A17 T23 F137 L140 F141 I144V15-I19 HydrophobicContact CG1-CD1 4.22Å; V15-I19 HydrophobicContact CG1-CG1 4.46Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.18Å; V15-I19 PolarHBondContact O-N 2.65Å; E16-I19 PolarHBondContact O-N 2.87Å; A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 3.04Å; I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.46Å; I19-T23 PolarHBondContact O-N 3.48Å; I19-T23 PolarHBondContact O-OG1 3.11Å; I19-F137 HydrophobicContact CG1-CE2 4.19Å; I19-L140 HydrophobicContact CD1-CB 4.21Å; I19-F141 HydrophobicContact CD1-CB 3.93Å; I19-F141 HydrophobicContact CD1-CD2 4.22Å; I19-F141 HydrophobicContact CG2-CD2 3.67Å; I19-F141 HydrophobicContact CG2-CE2 4.19Å; I19-I144 HydrophobicContact CD1-CB 4.22Å; I19-I144 HydrophobicContact CD1-CG1 3.64Å
20F94.5Very high93.1Very high66 Ų6648.6 Ų48.629%0.28923%0.23SC..Hα-helixtrans-58.5-50.7177.5171.6-98.3000111.7E16 A17 Y18 T23 Q24E16-F20 PolarHBondContact O-N 3.22Å; A17-F20 WeakPolarHBondContact O-CB 3.47Å; A17-F20 PolarHBondContact O-N 2.92Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; Y18-F20 PolarHBondContact O-N 3.2Å; F20-T23 WeakPolarHBondContact O-CB 3.38Å; F20-T23 PolarHBondContact O-N 2.92Å; F20-Q24 HydrophobicContact CE1-CG 4.41Å; F20-Q24 HydrophobicContact CZ-CG 4.3Å; F20-Q24 WeakPolarHBondContact O-CG 3.27Å; F20-Q24 PolarHBondContact O-N 2.97Å; F20-Q24 VanDerWaalsContact O-N 3.16Å
21F94.3Very high92.8Very high65 Ų6556.5 Ų56.529%0.28526%0.262SS..Hα-helixtrans-67-43.9-178.1-69.1-59.1000112.4A17 Y18 T23 Q24 E25 F118 R186A17-F21 HydrophobicContact CB-CE2 4.33Å; A17-F21 WeakPolarHBondContact O-CD2 3.4Å; A17-F21 PolarHBondContact O-N 3.4Å; Y18-F21 PolarHBondContact O-N 2.84Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 3.19Å; F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 3.04Å; F21-Q24 VanDerWaalsContact O-N 3.12Å; F21-E25 PolarHBondContact O-N 3.16Å; F21-E25 VanDerWaalsContact O-N 3.09Å; F21-F118 HydrophobicContact CB-CE2 4.28Å; F21-F118 HydrophobicContact CB-CZ 3.73Å; F21-R186 HydrophobicContact CZ-CB 4.14Å
22L95.7Very high92.7Very high0 Ų052.5 Ų52.50%025%0.246CC..Hα-helixtrans-62.9-35.5175.2178.359.6000111.5Y18 Q24 E25 L26 I114 I115 F118 F137Y18-L22 HydrophobicContact CE1-CB 4.46Å; Y18-L22 HydrophobicContact CE1-CD2 3.77Å; Y18-L22 WeakPolarHBondContact O-CB 3.08Å; Y18-L22 PolarHBondContact O-N 3.29Å; Y18-L22 WeakPolarHBondContact OH-CD2 3.35Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.9Å; L22-E25 HydrophobicContact CD1-CB 4.47Å; L22-E25 WeakPolarHBondContact O-CB 3.42Å; L22-E25 PolarHBondContact O-N 3.02Å; L22-L26 HydrophobicContact CD1-CD1 4.43Å; L22-L26 HydrophobicContact CD1-CG 4.16Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 HydrophobicContact CG-CG 4.34Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.09Å; L22-L26 PolarHBondContact O-N 3.38Å; L22-I114 HydrophobicContact CD1-CG2 4.42Å; L22-I115 HydrophobicContact CD2-CG1 3.89Å; L22-F118 HydrophobicContact CB-CD1 4.28Å; L22-F118 HydrophobicContact CB-CE1 4.01Å; L22-F118 HydrophobicContact CB-CE2 4.42Å; L22-F118 HydrophobicContact CB-CZ 4.08Å; L22-F118 HydrophobicContact CD1-CB 4.06Å; L22-F118 HydrophobicContact CD1-CD1 4.15Å; L22-F118 HydrophobicContact CD1-CD2 4.14Å; L22-F118 HydrophobicContact CD1-CG 3.86Å; L22-F137 HydrophobicContact CD2-CD2 3.56Å; L22-F137 HydrophobicContact CD2-CE2 3.46Å; L22-F137 VanDerWaalsContact CD2-CE2 3.46Å; L22-F137 HydrophobicContact CD2-CG 4.2Å; L22-F137 HydrophobicContact CD2-CZ 4.01Å; L22-F137 HydrophobicContact CG-CE2 4.21Å; L22-F137 HydrophobicContact CG-CZ 4.46Å
23T94Very high92.6Very high41 Ų4154.5 Ų54.525%0.25226%0.261SS..Hα-helixtrans-63.4-36.1175.4-58.20000112.1I19 F20 F21 K27 L34I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.46Å; I19-T23 PolarHBondContact O-N 3.48Å; I19-T23 PolarHBondContact O-OG1 3.11Å; F20-T23 WeakPolarHBondContact O-CB 3.38Å; F20-T23 PolarHBondContact O-N 2.92Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 3.19Å; T23-K27 WeakPolarHBondContact O-CB 3.3Å; T23-K27 PolarHBondContact O-N 2.64Å; T23-L34 HydrophobicContact CG2-CB 4.31Å; T23-L34 HydrophobicContact CG2-CD2 3.94Å; T23-L34 WeakPolarHBondContact OG1-CD2 3.49Å
24Q92.5Very high92.6Very high80 Ų8054.5 Ų54.537%0.37426%0.261SS..Hα-helixtrans-67.6-42.6175.4-63.9-66.31.500111.3F20 F21 L22 K27 Q28F20-Q24 HydrophobicContact CE1-CG 4.41Å; F20-Q24 HydrophobicContact CZ-CG 4.3Å; F20-Q24 WeakPolarHBondContact O-CG 3.27Å; F20-Q24 PolarHBondContact O-N 2.97Å; F20-Q24 VanDerWaalsContact O-N 3.16Å; F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 3.04Å; F21-Q24 VanDerWaalsContact O-N 3.12Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.9Å; Q24-K27 WeakPolarHBondContact O-CB 3.4Å; Q24-K27 PolarHBondContact O-N 3.23Å; Q24-Q28 PolarHBondContact O-N 2.97Å
25E92.8Very high92.5Very high42 Ų4254.7 Ų54.720%0.19626%0.259CS..Hα-helixtrans-56.8-51.7174.5-168.163.8-147.600111F21 L22 K27 Q28 Q29 I114 F118F21-E25 PolarHBondContact O-N 3.16Å; F21-E25 VanDerWaalsContact O-N 3.09Å; L22-E25 HydrophobicContact CD1-CB 4.47Å; L22-E25 WeakPolarHBondContact O-CB 3.42Å; L22-E25 PolarHBondContact O-N 3.02Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.43Å; E25-Q28 WeakPolarHBondContact O-CB 3.3Å; E25-Q28 PolarHBondContact O-N 3.38Å; E25-Q29 PolarHBondContact O-N 2.89Å; E25-Q29 PolarHBondContact OE1-NE2 2.94Å; E25-I114 HydrophobicContact CG-CG2 4.49Å; E25-F118 HydrophobicContact CB-CD2 4.26Å; E25-F118 HydrophobicContact CB-CE2 4.4Å; E25-F118 HydrophobicContact CG-CD2 4.16Å
26L93.8Very high92.6Very high5 Ų554.7 Ų54.73%0.02626%0.259CS..Hα-helixtrans-61.4-34.3179.3-67.6174.7000112.8L22 Q28 Q29 Y30 L34 L37 L111 I114 F137L22-L26 HydrophobicContact CD1-CD1 4.43Å; L22-L26 HydrophobicContact CD1-CG 4.16Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 HydrophobicContact CG-CG 4.34Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.09Å; L22-L26 PolarHBondContact O-N 3.38Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.27Å; L26-Q29 PolarHBondContact O-N 2.94Å; L26-Y30 HydrophobicContact CD2-CD2 4.24Å; L26-Y30 HydrophobicContact CD2-CE2 4.2Å; L26-Y30 WeakPolarHBondContact O-CB 3.39Å; L26-Y30 PolarHBondContact O-N 3.39Å; L26-L34 HydrophobicContact CD1-CD1 4.3Å; L26-L37 HydrophobicContact CD1-CD1 4.36Å; L26-L111 HydrophobicContact CD1-CD1 3.77Å; L26-L111 HydrophobicContact CD2-CD1 3.37Å; L26-L111 HydrophobicContact CG-CD1 4.22Å; L26-I114 HydrophobicContact CD2-CB 4.45Å; L26-I114 HydrophobicContact CD2-CD1 4.34Å; L26-I114 HydrophobicContact CD2-CG2 3.82Å; L26-F137 HydrophobicContact CD1-CE1 4.3Å; L26-F137 HydrophobicContact CD1-CZ 4.34Å
27K90.4Very high92.6Very high154 Ų15454.3 Ų54.367%0.6726%0.257SS*.Hα-helixtrans-66.5-30.2177.6-173.6-177.3174.4-168.60112.3T23 Q24 E25T23-K27 WeakPolarHBondContact O-CB 3.3Å; T23-K27 PolarHBondContact O-N 2.64Å; Q24-K27 WeakPolarHBondContact O-CB 3.4Å; Q24-K27 PolarHBondContact O-N 3.23Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.43Å
28Q87.1Confident92.7Very high155 Ų15553.4 Ų53.472%0.72425%0.25SC*.Hα-helixtrans-76-33.3176.8-65.5176.810.800111.5Q24 E25 L26Q24-Q28 PolarHBondContact O-N 2.97Å; E25-Q28 WeakPolarHBondContact O-CB 3.3Å; E25-Q28 PolarHBondContact O-N 3.38Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.27Å
29Q86.6Confident92.6Very high97 Ų9753.5 Ų53.545%0.45325%0.25SC..Hα-helixtrans-91.1-25.6-174.8-59-172.824.900113.9E25 L26 I114E25-Q29 PolarHBondContact O-N 2.89Å; E25-Q29 PolarHBondContact OE1-NE2 2.94Å; L26-Q29 PolarHBondContact O-N 2.94Å; Q29-I114 VanDerWaalsContact OE1-CG1 3.26Å
30Y82.9Confident92.7Very high50 Ų5053.1 Ų53.120%0.19625%0.248CC..  trans-121.4145.2-176-73.6-82.7000114.9L26 L32 V107 E110 I114L26-Y30 HydrophobicContact CD2-CD2 4.24Å; L26-Y30 HydrophobicContact CD2-CE2 4.2Å; L26-Y30 WeakPolarHBondContact O-CB 3.39Å; L26-Y30 PolarHBondContact O-N 3.39Å; Y30-L32 PolarHBondContact O-N 3.44Å; Y30-V107 HydrophobicContact CE1-CG1 4.37Å; Y30-E110 WeakPolarHBondContact OH-CB 3.37Å; Y30-I114 HydrophobicContact CD2-CD1 4.41Å; Y30-I114 HydrophobicContact CE2-CD1 3.4Å; Y30-I114 VanDerWaalsContact CE2-CD1 3.4Å
31K88Confident92.7Very high203 Ų20350 Ų5088%0.88323%0.234SC*.SBendtrans-81.27164.5-58.7-175.3-178.2-179.70113.4K77K31-K77 PolarHBondContact O-NZ 3.4Å
32L92.7Very high92.8Very high16 Ų1646.9 Ų46.98%0.08422%0.221CC..SBendtrans-105.1134.2177.3-64.1-179.7000109.2Y30 E36 L37 L40 L74 K77 F79 V107Y30-L32 PolarHBondContact O-N 3.44Å; L32-E36 WeakPolarHBondContact CA-OE2 3.47Å; L32-E36 HydrophobicContact CB-CB 4.3Å; L32-E36 HydrophobicContact CD2-CB 4.38Å; L32-L37 HydrophobicContact CB-CD2 3.93Å; L32-L37 HydrophobicContact CB-CG 4.05Å; L32-L37 HydrophobicContact CD1-CD2 3.77Å; L32-L37 HydrophobicContact CG-CD2 4.5Å; L32-L40 HydrophobicContact CD1-CD1 3.72Å; L32-L74 HydrophobicContact CD2-CD2 4.18Å; L32-K77 HydrophobicContact CD2-CD 3.58Å; L32-F79 HydrophobicContact CD1-CE2 4.18Å; L32-F79 HydrophobicContact CD1-CZ 4.07Å; L32-F79 HydrophobicContact CD2-CE2 4.08Å; L32-V107 HydrophobicContact CD1-CG1 4.25Å
33S93Very high92.7Very high51 Ų5147 Ų4736%0.35722%0.221SC..  trans-71.4158.9171.675.80000110.9K35 E36 L37S33-K35 PolarHBondContact O-N 2.92Å; S33-K35 VanDerWaalsContact O-N 3.16Å; S33-E36 PolarHBondContact N-OE2 2.74Å; S33-E36 WeakPolarHBondContact O-CA 3.19Å; S33-E36 WeakPolarHBondContact O-CB 3.37Å; S33-E36 PolarHBondContact O-N 3.02Å; S33-E36 WeakPolarHBondContact OG-CG 3.38Å; S33-E36 PolarHBondContact OG-N 2.9Å; S33-L37 PolarHBondContact O-N 3.22Å
34L93.8Very high92.8Very high23 Ų2348.6 Ų48.612%0.1222%0.223CC..Hα-helixtrans-55.7-33.8174.9-175.864.4000112.9T23 L26 L37 L38 F137 F138 F141T23-L34 HydrophobicContact CG2-CB 4.31Å; T23-L34 HydrophobicContact CG2-CD2 3.94Å; T23-L34 WeakPolarHBondContact OG1-CD2 3.49Å; L26-L34 HydrophobicContact CD1-CD1 4.3Å; L34-L37 PolarHBondContact O-N 3.27Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å; L34-F137 HydrophobicContact CD1-CE1 3.59Å; L34-F137 HydrophobicContact CD1-CZ 3.68Å; L34-F138 HydrophobicContact CD1-CE1 3.86Å; L34-F141 HydrophobicContact CD2-CD1 4.36Å; L34-F141 HydrophobicContact CD2-CD2 4.09Å; L34-F141 HydrophobicContact CD2-CE1 3.83Å; L34-F141 HydrophobicContact CD2-CE2 3.53Å; L34-F141 HydrophobicContact CD2-CG 4.46Å; L34-F141 HydrophobicContact CD2-CZ 3.37Å; L34-F141 HydrophobicContact CG-CE1 4.04Å; L34-F141 HydrophobicContact CG-CZ 4.03Å
35K93.9Very high92.9Very high58 Ų5847.5 Ų47.525%0.25222%0.216SC..Hα-helixtrans-66.7-40.9175.7-57.3-163.9177.8176.60111.8S33 L38 I39 Y62 D66S33-K35 PolarHBondContact O-N 2.92Å; S33-K35 VanDerWaalsContact O-N 3.16Å; K35-L38 PolarHBondContact O-N 3.5Å; K35-I39 WeakPolarHBondContact O-CG1 3.49Å; K35-I39 PolarHBondContact O-N 3.42Å; K35-I39 VanDerWaalsContact O-N 3.12Å; K35-Y62 HydrophobicContact CB-CE2 3.89Å; K35-Y62 HydrophobicContact CD-CD1 4.3Å; K35-Y62 HydrophobicContact CD-CD2 4.13Å; K35-Y62 HydrophobicContact CD-CE1 3.99Å; K35-Y62 HydrophobicContact CD-CE2 3.78Å; K35-Y62 HydrophobicContact CD-CG 4.41Å; K35-Y62 VanDerWaalsContact CE-CE1 3.49Å; K35-Y62 HydrophobicContact CG-CD2 4.35Å; K35-Y62 HydrophobicContact CG-CE1 4.29Å; K35-Y62 HydrophobicContact CG-CE2 3.57Å; K35-D66 VanDerWaalsContact NZ-CG 3.33Å; K35-D66 IonicContact NZ-OD1 2.74Å; K35-D66 IonicContact NZ-OD2 3.3Å; K35-D66 PolarHBondContact NZ-OD2 3.4Å
36E95.9Very high92.9Very high8 Ų847.7 Ų47.74%0.03722%0.216CC..Hα-helixtrans-64.8-44.9174.9-70.5175.9125.400110.5L32 S33 L38 I39 L40 N70 S73 L74 K77L32-E36 WeakPolarHBondContact CA-OE2 3.47Å; L32-E36 HydrophobicContact CB-CB 4.3Å; L32-E36 HydrophobicContact CD2-CB 4.38Å; S33-E36 PolarHBondContact N-OE2 2.74Å; S33-E36 WeakPolarHBondContact O-CA 3.19Å; S33-E36 WeakPolarHBondContact O-CB 3.37Å; S33-E36 PolarHBondContact O-N 3.02Å; S33-E36 WeakPolarHBondContact OG-CG 3.38Å; S33-E36 PolarHBondContact OG-N 2.9Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 2.8Å; E36-I39 PolarHBondContact O-N 3.11Å; E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 3.39Å; E36-N70 HydrophobicContact CG-CB 4.2Å; E36-N70 WeakPolarHBondContact CG-OD1 3.39Å; E36-S73 WeakPolarHBondContact OE1-CB 3.49Å; E36-S73 PolarHBondContact OE1-OG 2.99Å; E36-L74 HydrophobicContact CB-CD1 4.36Å; E36-L74 HydrophobicContact CB-CD2 3.87Å; E36-L74 HydrophobicContact CB-CG 4.17Å; E36-L74 HydrophobicContact CG-CD2 4.13Å; E36-L74 HydrophobicContact CG-CG 4.05Å; E36-K77 VanDerWaalsContact CD-NZ 3.27Å; E36-K77 IonicContact OE1-NZ 3.22Å; E36-K77 PolarHBondContact OE1-NZ 3.12Å; E36-K77 IonicContact OE2-NZ 2.82Å; E36-K77 PolarHBondContact OE2-NZ 3.5Å
37L96.4Very high92.8Very high1 Ų152.8 Ų52.81%0.00524%0.243CC..Hα-helixtrans-60.5-41.7176.8-65.9172.9000112.1L26 L32 S33 L34 I39 L40 A41 V107 F138L26-L37 HydrophobicContact CD1-CD1 4.36Å; L32-L37 HydrophobicContact CB-CD2 3.93Å; L32-L37 HydrophobicContact CB-CG 4.05Å; L32-L37 HydrophobicContact CD1-CD2 3.77Å; L32-L37 HydrophobicContact CG-CD2 4.5Å; S33-L37 PolarHBondContact O-N 3.22Å; L34-L37 PolarHBondContact O-N 3.27Å; L37-I39 PolarHBondContact O-N 3.17Å; L37-L40 PolarHBondContact O-N 3.35Å; L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 3.5Å; L37-V107 HydrophobicContact CD2-CG1 3.7Å; L37-F138 HydrophobicContact CB-CE1 4.43Å; L37-F138 HydrophobicContact CB-CZ 3.81Å
38L95.8Very high92.8Very high0 Ų049.2 Ų49.20%023%0.229CC..Hα-helixtrans-60.7-42.5174.9176.564.6000112L34 K35 E36 A41 Y42 I60 Y62 F138 F141 M142 F246 F247L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å; K35-L38 PolarHBondContact O-N 3.5Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 2.8Å; L38-A41 PolarHBondContact O-N 3.35Å; L38-Y42 PolarHBondContact O-N 2.97Å; L38-I60 HydrophobicContact CD2-CG2 3.77Å; L38-I60 HydrophobicContact CG-CG2 4.49Å; L38-Y62 HydrophobicContact CD2-CE2 3.86Å; L38-F138 HydrophobicContact CB-CD1 3.9Å; L38-F138 HydrophobicContact CB-CE1 3.75Å; L38-F138 HydrophobicContact CB-CZ 4.42Å; L38-F138 HydrophobicContact CD1-CB 3.68Å; L38-F138 HydrophobicContact CD1-CD1 3.46Å; L38-F138 VanDerWaalsContact CD1-CD1 3.46Å; L38-F138 HydrophobicContact CD1-CD2 4.43Å; L38-F138 HydrophobicContact CD1-CE1 4.19Å; L38-F138 HydrophobicContact CD1-CG 3.61Å; L38-F138 HydrophobicContact CG-CD1 4.25Å; L38-F141 HydrophobicContact CD2-CD1 4.28Å; L38-F141 HydrophobicContact CD2-CE1 4.19Å; L38-M142 HydrophobicContact CD1-CG 4.37Å; L38-M142 HydrophobicContact CD2-CG 4.44Å; L38-M142 HydrophobicContact CD2-SD 3.78Å; L38-F246 HydrophobicContact CD1-CE1 4.48Å; L38-F246 HydrophobicContact CD1-CZ 3.91Å; L38-F247 HydrophobicContact CD1-CE2 4.45Å; L38-F247 HydrophobicContact CD1-CZ 4.11Å
39I95.7Very high92.9Very high1 Ų147.1 Ų47.11%0.00522%0.219CC..Hα-helixtrans-65.9-40.2176.7-68.6164.1000110.8K35 E36 L37 A41 Y42 F43 I60 N70 I71 L74K35-I39 WeakPolarHBondContact O-CG1 3.49Å; K35-I39 PolarHBondContact O-N 3.42Å; K35-I39 VanDerWaalsContact O-N 3.12Å; E36-I39 PolarHBondContact O-N 3.11Å; L37-I39 PolarHBondContact O-N 3.17Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-Y42 WeakPolarHBondContact O-CB 3.46Å; I39-Y42 PolarHBondContact O-N 2.99Å; I39-F43 HydrophobicContact CG2-CD2 4.02Å; I39-F43 HydrophobicContact CG2-CE2 3.76Å; I39-F43 VanDerWaalsContact O-CD2 3.23Å; I39-F43 WeakPolarHBondContact O-CD2 3.41Å; I39-F43 PolarHBondContact O-N 2.96Å; I39-F43 VanDerWaalsContact O-N 3.17Å; I39-I60 HydrophobicContact CB-CD1 4.41Å; I39-I60 HydrophobicContact CG1-CD1 3.63Å; I39-N70 HydrophobicContact CD1-CB 3.5Å; I39-I71 HydrophobicContact CG2-CD1 3.81Å; I39-L74 HydrophobicContact CB-CD1 3.88Å; I39-L74 HydrophobicContact CD1-CD1 4.45Å; I39-L74 HydrophobicContact CG2-CD1 3.58Å
40L96.1Very high93.2Very high0 Ų045 Ų450%022%0.215CC..Hα-helixtrans-64.3-40.9175.1-66.1-170.4000111.9L32 E36 L37 Y42 F43 Y44 L74 F79 I104 V107L32-L40 HydrophobicContact CD1-CD1 3.72Å; E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 3.39Å; L37-L40 PolarHBondContact O-N 3.35Å; L40-Y42 VanDerWaalsContact C-N 3.32Å; L40-Y42 PolarHBondContact O-N 2.83Å; L40-F43 PolarHBondContact O-N 3.47Å; L40-Y44 WeakPolarHBondContact O-CB 3.46Å; L40-Y44 PolarHBondContact O-N 2.72Å; L40-L74 HydrophobicContact CD1-CD2 4.16Å; L40-L74 HydrophobicContact CD2-CD1 3.91Å; L40-L74 HydrophobicContact CD2-CD2 3.81Å; L40-L74 HydrophobicContact CD2-CG 4.41Å; L40-L74 HydrophobicContact CG-CD1 4.33Å; L40-L74 HydrophobicContact CG-CD2 3.99Å; L40-F79 HydrophobicContact CD1-CD1 3.86Å; L40-F79 HydrophobicContact CD1-CE1 3.98Å; L40-F79 HydrophobicContact CD1-CG 4.16Å; L40-F79 HydrophobicContact CD1-CZ 4.4Å; L40-F79 HydrophobicContact CD2-CB 3.85Å; L40-F79 HydrophobicContact CD2-CD1 4.25Å; L40-F79 HydrophobicContact CD2-CG 4.14Å; L40-I104 HydrophobicContact CB-CG2 4.23Å; L40-I104 HydrophobicContact CD2-CD1 4.02Å; L40-I104 HydrophobicContact CD2-CG1 4.02Å; L40-I104 WeakPolarHBondContact O-CG2 3.18Å; L40-V107 HydrophobicContact CD1-CG1 4.31Å
41A96Very high93.7Very high0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-61.3-41.9173.600000111.4L37 L38 I39 F43 Y44 Y45 I108 F138 F247L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 3.5Å; L38-A41 PolarHBondContact O-N 3.35Å; I39-A41 VanDerWaalsContact C-N 3.34Å; A41-F43 PolarHBondContact O-N 3.28Å; A41-Y44 WeakPolarHBondContact O-CB 3.39Å; A41-Y44 PolarHBondContact O-N 2.89Å; A41-Y44 VanDerWaalsContact O-N 3.15Å; A41-Y45 HydrophobicContact CB-CD2 4.11Å; A41-Y45 HydrophobicContact CB-CE2 4.01Å; A41-Y45 WeakPolarHBondContact O-CD2 3.5Å; A41-Y45 PolarHBondContact O-N 2.88Å; A41-I108 HydrophobicContact CB-CD1 3.85Å; A41-F138 HydrophobicContact CB-CD2 3.46Å; A41-F138 VanDerWaalsContact CB-CD2 3.46Å; A41-F138 HydrophobicContact CB-CE2 3.39Å; A41-F138 HydrophobicContact CB-CG 4.46Å; A41-F138 HydrophobicContact CB-CZ 4.33Å; A41-F247 HydrophobicContact CB-CE1 4.48Å
42Y95.1Very high94Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-52.5-51.8173.7179-89.2000111.8L38 I39 L40 Y44 K46 I51 I56 D59 I60 F246L38-Y42 PolarHBondContact O-N 2.97Å; I39-Y42 WeakPolarHBondContact O-CB 3.46Å; I39-Y42 PolarHBondContact O-N 2.99Å; L40-Y42 VanDerWaalsContact C-N 3.32Å; L40-Y42 PolarHBondContact O-N 2.83Å; Y42-Y44 VanDerWaalsContact C-N 3.35Å; Y42-Y44 PolarHBondContact O-N 2.87Å; Y42-K46 HydrophobicContact CE1-CD 3.96Å; Y42-K46 HydrophobicContact CE2-CD 4.11Å; Y42-K46 WeakPolarHBondContact O-CB 3.48Å; Y42-K46 PolarHBondContact O-N 2.9Å; Y42-K46 WeakPolarHBondContact OH-CD 3.35Å; Y42-K46 PolarHBondContact OH-NZ 3.3Å; Y42-K46 VanDerWaalsContact OH-NZ 3.14Å; Y42-I51 HydrophobicContact CD1-CD1 4.15Å; Y42-I51 HydrophobicContact CE1-CD1 3.47Å; Y42-I51 VanDerWaalsContact CE1-CD1 3.47Å; Y42-I51 HydrophobicContact CE1-CG2 4.13Å; Y42-I56 HydrophobicContact CD1-CG1 4.4Å; Y42-I56 HydrophobicContact CE1-CG1 3.82Å; Y42-D59 HydrophobicContact CD2-CB 4.38Å; Y42-D59 HydrophobicContact CE2-CB 3.57Å; Y42-D59 WeakPolarHBondContact CE2-OD2 3.17Å; Y42-D59 VanDerWaalsContact CZ-OD2 3.3Å; Y42-D59 PolarHBondContact OH-OD2 3.48Å; Y42-I60 HydrophobicContact CD2-CD1 4.36Å; Y42-I60 HydrophobicContact CD2-CG1 4.23Å; Y42-I60 HydrophobicContact CG-CD1 4.25Å; Y42-F246 HydrophobicContact CD2-CB 4.14Å; Y42-F246 AromaticContact CD2-CD1 3.69Å; Y42-F246 HydrophobicContact CD2-CD1 3.69Å; Y42-F246 AromaticContact CD2-CD2 3.27Å; Y42-F246 HydrophobicContact CD2-CD2 3.27Å; Y42-F246 AromaticContact CD2-CE1 3.82Å; Y42-F246 HydrophobicContact CD2-CE1 3.82Å; Y42-F246 AromaticContact CD2-CE2 3.44Å; Y42-F246 HydrophobicContact CD2-CE2 3.44Å; Y42-F246 VanDerWaalsContact CD2-CE2 3.44Å; Y42-F246 AromaticContact CD2-CG 3.41Å; Y42-F246 HydrophobicContact CD2-CG 3.41Å; Y42-F246 VanDerWaalsContact CD2-CG 3.41Å; Y42-F246 AromaticContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CE2-CB 3.81Å; Y42-F246 HydrophobicContact CE2-CD1 4.01Å; Y42-F246 AromaticContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CE2 4.43Å; Y42-F246 AromaticContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CG-CD2 4.19Å; Y42-F246 HydrophobicContact CG-CE2 4.04Å; Y42-F246 HydrophobicContact CG-CZ 4.34Å
43F95.1Very high94Very high1 Ų134.3 Ų34.30%0.00417%0.173CC..Hα-helixtrans-65.2-35.3177-76.7-70.5000114I39 L40 A41 N47 I51 I56 I71 I80 V94 V96 I104I39-F43 HydrophobicContact CG2-CD2 4.02Å; I39-F43 HydrophobicContact CG2-CE2 3.76Å; I39-F43 VanDerWaalsContact O-CD2 3.23Å; I39-F43 WeakPolarHBondContact O-CD2 3.41Å; I39-F43 PolarHBondContact O-N 2.96Å; I39-F43 VanDerWaalsContact O-N 3.17Å; L40-F43 PolarHBondContact O-N 3.47Å; A41-F43 PolarHBondContact O-N 3.28Å; F43-N47 PolarHBondContact O-N 3.08Å; F43-I51 HydrophobicContact CD1-CD1 3.73Å; F43-I51 HydrophobicContact CD1-CG1 4.37Å; F43-I51 HydrophobicContact CE1-CB 4.14Å; F43-I51 HydrophobicContact CE1-CD1 3.63Å; F43-I51 HydrophobicContact CE1-CG1 3.91Å; F43-I56 HydrophobicContact CE1-CD1 4.41Å; F43-I56 HydrophobicContact CE2-CD1 4.21Å; F43-I56 HydrophobicContact CZ-CD1 3.56Å; F43-I71 HydrophobicContact CE2-CD1 4.46Å; F43-I80 HydrophobicContact CD2-CG2 4.2Å; F43-I80 HydrophobicContact CE2-CG2 4.16Å; F43-V94 HydrophobicContact CE1-CB 4.36Å; F43-V94 HydrophobicContact CE1-CG1 4.08Å; F43-V94 HydrophobicContact CE2-CG1 3.92Å; F43-V94 HydrophobicContact CZ-CB 3.75Å; F43-V94 HydrophobicContact CZ-CG1 3.3Å; F43-V96 HydrophobicContact CB-CG2 4.13Å; F43-V96 HydrophobicContact CD1-CG2 3.53Å; F43-V96 HydrophobicContact CD2-CG2 4.47Å; F43-V96 HydrophobicContact CE1-CG2 4.03Å; F43-V96 HydrophobicContact CG-CG2 3.79Å; F43-I104 HydrophobicContact CB-CD1 4.34Å
44Y96.1Very high93.9Very high75 Ų7540.5 Ų40.529%0.29419%0.194SC..Hα-helixtrans-64.6-51.5178.3-179.8-97.3000111.5L40 A41 Y42 I104 A105 I108L40-Y44 WeakPolarHBondContact O-CB 3.46Å; L40-Y44 PolarHBondContact O-N 2.72Å; A41-Y44 WeakPolarHBondContact O-CB 3.39Å; A41-Y44 PolarHBondContact O-N 2.89Å; A41-Y44 VanDerWaalsContact O-N 3.15Å; Y42-Y44 VanDerWaalsContact C-N 3.35Å; Y42-Y44 PolarHBondContact O-N 2.87Å; Y44-I104 HydrophobicContact CD2-CG2 4.36Å; Y44-A105 HydrophobicContact CD2-CB 4.12Å; Y44-A105 HydrophobicContact CE2-CB 3.67Å; Y44-I108 HydrophobicContact CD1-CB 4.4Å; Y44-I108 HydrophobicContact CD1-CG1 4.26Å; Y44-I108 HydrophobicContact CD1-CG2 3.86Å; Y44-I108 HydrophobicContact CD2-CB 4.33Å; Y44-I108 HydrophobicContact CD2-CG1 4.13Å; Y44-I108 HydrophobicContact CE1-CG2 3.84Å; Y44-I108 HydrophobicContact CE2-CB 4.49Å; Y44-I108 HydrophobicContact CG-CB 4.29Å; Y44-I108 HydrophobicContact CG-CG1 3.85Å; Y44-I108 HydrophobicContact CG-CG2 4.25Å
45Y94.4Very high93.9Very high58 Ų5843 Ų4323%0.22720%0.204CC..Hα-helixtrans-79.8-33.6-174.3-67.8-66.2000113.5A41 N47 S134 K135 F247A41-Y45 HydrophobicContact CB-CD2 4.11Å; A41-Y45 HydrophobicContact CB-CE2 4.01Å; A41-Y45 WeakPolarHBondContact O-CD2 3.5Å; A41-Y45 PolarHBondContact O-N 2.88Å; Y45-N47 VanDerWaalsContact C-N 3.26Å; Y45-N47 PolarHBondContact O-N 3.42Å; Y45-S134 PolarHBondContact OH-OG 2.94Å; Y45-K135 HydrophobicContact CD1-CD 4.16Å; Y45-K135 HydrophobicContact CE1-CB 3.88Å; Y45-K135 HydrophobicContact CE1-CD 4.09Å; Y45-K135 HydrophobicContact CE1-CG 4.26Å; Y45-K135 HydrophobicContact CE2-CB 4.01Å; Y45-K135 PolarHBondContact OH-N 3.37Å; Y45-F247 AromaticContact CD2-CD1 3.75Å; Y45-F247 HydrophobicContact CD2-CD1 3.75Å; Y45-F247 AromaticContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CE2-CD1 4.37Å; Y45-F247 AromaticContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CG-CD1 4.12Å; Y45-F247 HydrophobicContact CG-CE1 4.31Å
46K92.3Very high93.9Very high46 Ų4640.2 Ų40.220%0.219%0.192CC..Hα-helixtrans-71.8-24.9177-167.5157.6-179-126.50112.7Y42 E48 I51 E55Y42-K46 HydrophobicContact CE1-CD 3.96Å; Y42-K46 HydrophobicContact CE2-CD 4.11Å; Y42-K46 WeakPolarHBondContact O-CB 3.48Å; Y42-K46 PolarHBondContact O-N 2.9Å; Y42-K46 WeakPolarHBondContact OH-CD 3.35Å; Y42-K46 PolarHBondContact OH-NZ 3.3Å; Y42-K46 VanDerWaalsContact OH-NZ 3.14Å; K46-E48 VanDerWaalsContact CE-CD 3.45Å; K46-E48 VanDerWaalsContact CE-OE1 3.25Å; K46-E48 WeakPolarHBondContact CE-OE1 3.2Å; K46-E48 VanDerWaalsContact CE-OE2 3.23Å; K46-E48 WeakPolarHBondContact CE-OE2 3.3Å; K46-E48 HydrophobicContact CG-CG 4.15Å; K46-E48 IonicContact NZ-OE1 3.44Å; K46-E48 IonicContact NZ-OE2 2.98Å; K46-E48 PolarHBondContact NZ-OE2 3.33Å; K46-E48 PolarHBondContact O-N 2.89Å; K46-I51 HydrophobicContact CB-CD1 4.49Å; K46-I51 HydrophobicContact CD-CD1 3.94Å; K46-I51 HydrophobicContact CG-CD1 4.31Å; K46-E55 IonicContact NZ-OE1 2.7Å; K46-E55 PolarHBondContact NZ-OE1 2.85Å; K46-E55 IonicContact NZ-OE2 3.8Å
47N90.6Very high93.7Very high111 Ų11141.4 Ų41.459%0.59420%0.199SC*.  trans56.611.9175.8-159.635.5000116.5F43 Y45 R101F43-N47 PolarHBondContact O-N 3.08Å; Y45-N47 VanDerWaalsContact C-N 3.26Å; Y45-N47 PolarHBondContact O-N 3.42Å; N47-R101 PolarHBondContact OD1-NH1 3.3Å
48E91Very high93.4Very high79 Ų7944.2 Ų44.237%0.36923%0.228SC..  trans-76.6149.2173.5-73.7169.5-169.100111.3K46 I51 R101K46-E48 VanDerWaalsContact CE-CD 3.45Å; K46-E48 VanDerWaalsContact CE-OE1 3.25Å; K46-E48 WeakPolarHBondContact CE-OE1 3.2Å; K46-E48 VanDerWaalsContact CE-OE2 3.23Å; K46-E48 WeakPolarHBondContact CE-OE2 3.3Å; K46-E48 HydrophobicContact CG-CG 4.15Å; K46-E48 IonicContact NZ-OE1 3.44Å; K46-E48 IonicContact NZ-OE2 2.98Å; K46-E48 PolarHBondContact NZ-OE2 3.33Å; K46-E48 PolarHBondContact O-N 2.89Å; E48-I51 HydrophobicContact CB-CD1 4.04Å; E48-I51 HydrophobicContact CB-CG1 3.88Å; E48-I51 WeakPolarHBondContact OE2-CG1 3.37Å; E48-R101 PolarHBondContact O-NH2 3.07Å
49H89.8Confident93.2Very high111 Ų11146.8 Ų46.851%0.51424%0.242SC..SBendtrans-77-38.6178.6178.361000112.5S95 V96H49-S95 CarbonylContact O-C 3.55Å; H49-S95 WeakPolarHBondContact O-CA 3.27Å; H49-S95 WeakPolarHBondContact O-CB 3.43Å; H49-V96 PolarHBondContact CE1-O 3.42Å; H49-V96 VanDerWaalsContact CE1-O 3.25Å; H49-V96 PolarHBondContact ND1-O 3.26Å; H49-V96 PolarHBondContact O-N 3.27Å
50S92.9Very high92.7Very high54 Ų5446.8 Ų46.838%0.37824%0.241SC..EExtended strand (participates in β ladder)trans-140.5130.4-175.4-173.90000109.6V94S50-V94 WeakPolarHBondContact CA-O 3.33Å
51I93.6Very high92.2Very high1 Ų149.7 Ų49.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-131.2140-175.8-50.4-178.7000108.6Y42 F43 K46 E48 E55 I56 V94Y42-I51 HydrophobicContact CD1-CD1 4.15Å; Y42-I51 HydrophobicContact CE1-CD1 3.47Å; Y42-I51 VanDerWaalsContact CE1-CD1 3.47Å; Y42-I51 HydrophobicContact CE1-CG2 4.13Å; F43-I51 HydrophobicContact CD1-CD1 3.73Å; F43-I51 HydrophobicContact CD1-CG1 4.37Å; F43-I51 HydrophobicContact CE1-CB 4.14Å; F43-I51 HydrophobicContact CE1-CD1 3.63Å; F43-I51 HydrophobicContact CE1-CG1 3.91Å; K46-I51 HydrophobicContact CB-CD1 4.49Å; K46-I51 HydrophobicContact CD-CD1 3.94Å; K46-I51 HydrophobicContact CG-CD1 4.31Å; E48-I51 HydrophobicContact CB-CD1 4.04Å; E48-I51 HydrophobicContact CB-CG1 3.88Å; E48-I51 WeakPolarHBondContact OE2-CG1 3.37Å; I51-E55 HydrophobicContact CG2-CB 4.16Å; I51-E55 HydrophobicContact CG2-CG 4.1Å; I51-E55 WeakPolarHBondContact CG2-OE2 3.37Å; I51-I56 HydrophobicContact CB-CD1 4.43Å; I51-I56 HydrophobicContact CB-CG1 4.37Å; I51-I56 HydrophobicContact CG2-CD1 4.41Å; I51-I56 HydrophobicContact CG2-CG1 3.83Å; I51-V94 PolarHBondContact N-O 3.34Å; I51-V94 PolarHBondContact O-N 3.05Å
52S93.5Very high91.8Very high29 Ų2951.2 Ų51.220%0.20326%0.263CS..EExtended strand (participates in β ladder)trans-69.7141.3176.478.60000110.7K54 E55 I56S52-K54 PolarHBondContact O-N 3.2Å; S52-E55 WeakPolarHBondContact O-CB 3.41Å; S52-E55 PolarHBondContact O-N 2.99Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 WeakPolarHBondContact OG-CB 3.49Å; S52-E55 PolarHBondContact OG-N 3.36Å; S52-I56 PolarHBondContact O-N 3.36Å
53L93.1Very high91.6Very high14 Ų1458.6 Ų58.67%0.07330%0.295CS..Hα-helixtrans-60.3-33.6177.3-179.562.1000111.9E55 I56 I57 V67 V68 I71 I92L53-E55 VanDerWaalsContact C-N 3.3Å; L53-E55 PolarHBondContact O-N 3.48Å; L53-I56 PolarHBondContact O-N 3.48Å; L53-I57 HydrophobicContact CD1-CD1 4.34Å; L53-I57 HydrophobicContact CG-CD1 3.88Å; L53-I57 WeakPolarHBondContact O-CD1 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.42Å; L53-V67 HydrophobicContact CD1-CG1 4.1Å; L53-V68 HydrophobicContact CD2-CG2 4.08Å; L53-I71 HydrophobicContact CD1-CG1 3.91Å; L53-I92 HydrophobicContact CB-CB 4.04Å; L53-I92 HydrophobicContact CB-CG2 4.19Å; L53-I92 WeakPolarHBondContact CB-O 3.44Å; L53-I92 HydrophobicContact CD2-CB 4.04Å; L53-I92 HydrophobicContact CD2-CD1 4.02Å; L53-I92 HydrophobicContact CD2-CG2 4.09Å; L53-I92 PolarHBondContact N-O 3.28Å
54K91.3Very high91.5Very high181 Ų18164.7 Ų64.779%0.78732%0.323SS*.Hα-helixtrans-61.3-40.2177.3-175-179.7177.8-175.90111.6S52 I57 G58S52-K54 PolarHBondContact O-N 3.2Å; K54-I57 PolarHBondContact O-N 2.76Å; K54-G58 PolarHBondContact O-N 3.46Å
55E92.8Very high91.4Very high74 Ų7465 Ų6535%0.34634%0.337SS..Hα-helixtrans-68.6-45.2177.8-178.2174.2-174.200111.8K46 I51 S52 L53 I57 G58 D59K46-E55 IonicContact NZ-OE1 2.7Å; K46-E55 PolarHBondContact NZ-OE1 2.85Å; K46-E55 IonicContact NZ-OE2 3.8Å; I51-E55 HydrophobicContact CG2-CB 4.16Å; I51-E55 HydrophobicContact CG2-CG 4.1Å; I51-E55 WeakPolarHBondContact CG2-OE2 3.37Å; S52-E55 WeakPolarHBondContact O-CB 3.41Å; S52-E55 PolarHBondContact O-N 2.99Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 WeakPolarHBondContact OG-CB 3.49Å; S52-E55 PolarHBondContact OG-N 3.36Å; L53-E55 VanDerWaalsContact C-N 3.3Å; L53-E55 PolarHBondContact O-N 3.48Å; E55-I57 PolarHBondContact O-N 3.46Å; E55-G58 WeakPolarHBondContact O-CA 3.41Å; E55-G58 PolarHBondContact O-N 3.36Å; E55-D59 PolarHBondContact O-N 3.2Å
56I93.6Very high91.4Very high0 Ų064.6 Ų64.60%034%0.338CS..Hα-helixtrans-56.4-41.5173.8-58.2169.1000110.9Y42 F43 I51 S52 L53 G58 D59 I60 V67 I71 V94Y42-I56 HydrophobicContact CD1-CG1 4.4Å; Y42-I56 HydrophobicContact CE1-CG1 3.82Å; F43-I56 HydrophobicContact CE1-CD1 4.41Å; F43-I56 HydrophobicContact CE2-CD1 4.21Å; F43-I56 HydrophobicContact CZ-CD1 3.56Å; I51-I56 HydrophobicContact CB-CD1 4.43Å; I51-I56 HydrophobicContact CB-CG1 4.37Å; I51-I56 HydrophobicContact CG2-CD1 4.41Å; I51-I56 HydrophobicContact CG2-CG1 3.83Å; S52-I56 PolarHBondContact O-N 3.36Å; L53-I56 PolarHBondContact O-N 3.48Å; I56-G58 VanDerWaalsContact C-N 3.34Å; I56-D59 PolarHBondContact O-N 2.99Å; I56-I60 HydrophobicContact CG2-CD1 3.61Å; I56-I60 HydrophobicContact CG2-CG1 4.27Å; I56-I60 VanDerWaalsContact O-CB 3.28Å; I56-I60 WeakPolarHBondContact O-CB 3.08Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 3.15Å; I56-V67 HydrophobicContact CG2-CG1 3.91Å; I56-I71 HydrophobicContact CD1-CD1 4.31Å; I56-V94 HydrophobicContact CD1-CB 4.03Å; I56-V94 HydrophobicContact CD1-CG2 3.96Å
57I92.4Very high91.5Very high34 Ų3462.4 Ų62.417%0.17433%0.329CS..Hα-helixtrans-66-36176.6-68.1160.3000111.8L53 K54 E55 Q64 V67L53-I57 HydrophobicContact CD1-CD1 4.34Å; L53-I57 HydrophobicContact CG-CD1 3.88Å; L53-I57 WeakPolarHBondContact O-CD1 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.42Å; K54-I57 PolarHBondContact O-N 2.76Å; E55-I57 PolarHBondContact O-N 3.46Å; I57-Q64 HydrophobicContact CD1-CB 4.11Å; I57-Q64 HydrophobicContact CD1-CG 3.65Å; I57-Q64 HydrophobicContact CG2-CB 4.09Å; I57-V67 HydrophobicContact CG1-CB 3.92Å; I57-V67 HydrophobicContact CG1-CG1 3.85Å; I57-V67 HydrophobicContact CG1-CG2 4.21Å
58G89.8Confident91.7Very high59 Ų5959 Ų5961%0.60831%0.312SS*.Hα-helixtrans-69.2-39.5177.400000112.7K54 E55 I56K54-G58 PolarHBondContact O-N 3.46Å; E55-G58 WeakPolarHBondContact O-CA 3.41Å; E55-G58 PolarHBondContact O-N 3.36Å; I56-G58 VanDerWaalsContact C-N 3.34Å
59D91.8Very high91.9Very high55 Ų5562.5 Ų62.529%0.29433%0.326SS..Hα-helixtrans-82.7-36.3-174.9-69.2-17.1000113Y42 E55 I56 M142 F246Y42-D59 HydrophobicContact CD2-CB 4.38Å; Y42-D59 HydrophobicContact CE2-CB 3.57Å; Y42-D59 WeakPolarHBondContact CE2-OD2 3.17Å; Y42-D59 VanDerWaalsContact CZ-OD2 3.3Å; Y42-D59 PolarHBondContact OH-OD2 3.48Å; E55-D59 PolarHBondContact O-N 3.2Å; I56-D59 PolarHBondContact O-N 2.99Å; D59-M142 VanDerWaalsContact O-CE 3.32Å; D59-M142 WeakPolarHBondContact O-CE 3.47Å; D59-F246 HydrophobicContact CB-CB 4.21Å; D59-F246 HydrophobicContact CB-CD1 4Å; D59-F246 HydrophobicContact CB-CG 4.41Å
60I86.1Confident92.2Very high0 Ų058.1 Ų58.10%031%0.306CS..SBendtrans-93.4115.3179.3-57.1-177.9000107.3L38 I39 Y42 I56 Y62 F246L38-I60 HydrophobicContact CD2-CG2 3.77Å; L38-I60 HydrophobicContact CG-CG2 4.49Å; I39-I60 HydrophobicContact CB-CD1 4.41Å; I39-I60 HydrophobicContact CG1-CD1 3.63Å; Y42-I60 HydrophobicContact CD2-CD1 4.36Å; Y42-I60 HydrophobicContact CD2-CG1 4.23Å; Y42-I60 HydrophobicContact CG-CD1 4.25Å; I56-I60 HydrophobicContact CG2-CD1 3.61Å; I56-I60 HydrophobicContact CG2-CG1 4.27Å; I56-I60 VanDerWaalsContact O-CB 3.28Å; I56-I60 WeakPolarHBondContact O-CB 3.08Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 3.15Å; I60-Y62 HydrophobicContact CG2-CD2 3.43Å; I60-Y62 VanDerWaalsContact CG2-CD2 3.43Å; I60-Y62 HydrophobicContact CG2-CE2 4.05Å; I60-Y62 HydrophobicContact CG2-CG 4.21Å; I60-Y62 PolarHBondContact O-N 3.49Å; I60-F246 HydrophobicContact CG1-CE1 4.1Å
61L85.1Confident92.4Very high61 Ų6155.7 Ų55.732%0.31929%0.289SS..  trans-64.332.2-176.8-64.9175.4000114.6M142 M145 F245L61-M142 HydrophobicContact CB-CE 3.96Å; L61-M142 HydrophobicContact CB-SD 4.21Å; L61-M142 HydrophobicContact CD1-CE 3.91Å; L61-M142 HydrophobicContact CD1-SD 4.33Å; L61-M142 HydrophobicContact CG-CE 3.55Å; L61-M142 HydrophobicContact CG-SD 4.3Å; L61-M145 HydrophobicContact CB-CE 3.92Å; L61-M145 WeakPolarHBondContact O-CE 3.38Å; L61-F245 HydrophobicContact CD1-CD1 4.43Å; L61-F245 HydrophobicContact CD1-CE1 3.53Å; L61-F245 HydrophobicContact CD1-CZ 3.81Å; L61-F245 HydrophobicContact CD2-CE1 4.47Å; L61-F245 HydrophobicContact CG-CE1 4.11Å
62Y87.9Confident92.5Very high33 Ų3361.1 Ų61.113%0.12931%0.312CS..SBendtrans-102.7155.8174.3-74.9-47.3000111.9K35 L38 I60 Q64 F141 M145K35-Y62 HydrophobicContact CB-CE2 3.89Å; K35-Y62 HydrophobicContact CD-CD1 4.3Å; K35-Y62 HydrophobicContact CD-CD2 4.13Å; K35-Y62 HydrophobicContact CD-CE1 3.99Å; K35-Y62 HydrophobicContact CD-CE2 3.78Å; K35-Y62 HydrophobicContact CD-CG 4.41Å; K35-Y62 VanDerWaalsContact CE-CE1 3.49Å; K35-Y62 HydrophobicContact CG-CD2 4.35Å; K35-Y62 HydrophobicContact CG-CE1 4.29Å; K35-Y62 HydrophobicContact CG-CE2 3.57Å; L38-Y62 HydrophobicContact CD2-CE2 3.86Å; I60-Y62 HydrophobicContact CG2-CD2 3.43Å; I60-Y62 VanDerWaalsContact CG2-CD2 3.43Å; I60-Y62 HydrophobicContact CG2-CE2 4.05Å; I60-Y62 HydrophobicContact CG2-CG 4.21Å; I60-Y62 PolarHBondContact O-N 3.49Å; Y62-Q64 PolarHBondContact O-N 3.11Å; Y62-F141 WeakPolarHBondContact OH-CE1 3.31Å; Y62-F141 WeakPolarHBondContact OH-CZ 3.49Å; Y62-M145 HydrophobicContact CD1-CE 3.45Å; Y62-M145 VanDerWaalsContact CD1-CE 3.45Å; Y62-M145 HydrophobicContact CD1-SD 4.5Å; Y62-M145 HydrophobicContact CE1-CE 3.12Å; Y62-M145 HydrophobicContact CE1-SD 3.63Å; Y62-M145 HydrophobicContact CE2-CE 4.42Å; Y62-M145 HydrophobicContact CG-CE 4.18Å; Y62-M145 PolarHBondContact OH-SD 3.46Å
63K90.6Very high92.6Very high155 Ų15561.4 Ų61.467%0.67432%0.315SS*.  trans-59.2140.2168.9-63.3-176.7178.5-175.30109.8S65 D66 V67K63-S65 PolarHBondContact O-N 2.92Å; K63-S65 VanDerWaalsContact O-N 3.12Å; K63-D66 WeakPolarHBondContact O-CB 3.22Å; K63-D66 PolarHBondContact O-N 3.05Å; K63-V67 PolarHBondContact O-N 2.96Å; K63-V67 VanDerWaalsContact O-N 3.14Å
64Q92.9Very high92.8Very high129 Ų12960.8 Ų60.860%0.60331%0.311SS*.Hα-helixtrans-48.1-43176.9169.8166.5-10.800113.2I57 Y62 D66 V67 V68I57-Q64 HydrophobicContact CD1-CB 4.11Å; I57-Q64 HydrophobicContact CD1-CG 3.65Å; I57-Q64 HydrophobicContact CG2-CB 4.09Å; Y62-Q64 PolarHBondContact O-N 3.11Å; Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.29Å; Q64-V67 PolarHBondContact O-N 3.38Å; Q64-V68 HydrophobicContact CG-CG2 4.24Å; Q64-V68 WeakPolarHBondContact O-CB 3.5Å; Q64-V68 VanDerWaalsContact O-CG2 3.23Å; Q64-V68 WeakPolarHBondContact O-CG2 3.49Å; Q64-V68 PolarHBondContact O-N 2.94Å
65S94.3Very high93.1Very high82 Ų8254 Ų5457%0.57329%0.287SS*.Hα-helixtrans-59.2-38.3178.657.40000113.1K63 K69K63-S65 PolarHBondContact O-N 2.92Å; K63-S65 VanDerWaalsContact O-N 3.12Å; S65-K69 WeakPolarHBondContact O-CB 3.36Å; S65-K69 PolarHBondContact O-N 3.28Å; S65-K69 VanDerWaalsContact O-N 3.15Å
66D94.1Very high93.2Very high48 Ų4859.5 Ų59.526%0.25731%0.31SS..Hα-helixtrans-70.3-45.2176.9-78.8-22.8000111K35 K63 Q64 V68 K69 N70K35-D66 VanDerWaalsContact NZ-CG 3.33Å; K35-D66 IonicContact NZ-OD1 2.74Å; K35-D66 IonicContact NZ-OD2 3.3Å; K35-D66 PolarHBondContact NZ-OD2 3.4Å; K63-D66 WeakPolarHBondContact O-CB 3.22Å; K63-D66 PolarHBondContact O-N 3.05Å; Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.29Å; D66-V68 PolarHBondContact O-N 2.98Å; D66-K69 PolarHBondContact O-N 3.44Å; D66-N70 PolarHBondContact O-N 3.35Å; D66-N70 PolarHBondContact O-ND2 3.04Å
67V94.7Very high93.4Very high1 Ų163 Ų631%0.00633%0.325CS..Hα-helixtrans-59.8-48.9178.4-179.50000110L53 I56 I57 K63 Q64 K69 N70 I71L53-V67 HydrophobicContact CD1-CG1 4.1Å; I56-V67 HydrophobicContact CG2-CG1 3.91Å; I57-V67 HydrophobicContact CG1-CB 3.92Å; I57-V67 HydrophobicContact CG1-CG1 3.85Å; I57-V67 HydrophobicContact CG1-CG2 4.21Å; K63-V67 PolarHBondContact O-N 2.96Å; K63-V67 VanDerWaalsContact O-N 3.14Å; Q64-V67 PolarHBondContact O-N 3.38Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.06Å; V67-N70 PolarHBondContact O-N 2.99Å; V67-N70 VanDerWaalsContact O-N 3.14Å; V67-I71 HydrophobicContact CG1-CG1 4.14Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.15Å
68V94.1Very high93.6Very high39 Ų3962.9 Ų62.924%0.23633%0.332CS..Hα-helixtrans-55.9-44177.4171.80000111.7L53 Q64 D66 K72L53-V68 HydrophobicContact CD2-CG2 4.08Å; Q64-V68 HydrophobicContact CG-CG2 4.24Å; Q64-V68 WeakPolarHBondContact O-CB 3.5Å; Q64-V68 VanDerWaalsContact O-CG2 3.23Å; Q64-V68 WeakPolarHBondContact O-CG2 3.49Å; Q64-V68 PolarHBondContact O-N 2.94Å; D66-V68 PolarHBondContact O-N 2.98Å; V68-K72 HydrophobicContact CG1-CD 4.38Å; V68-K72 WeakPolarHBondContact O-CG 3.5Å; V68-K72 PolarHBondContact O-N 3.31Å
69K95.7Very high93.9Very high153 Ų15360.9 Ų60.967%0.66531%0.307SS*.Hα-helixtrans-62-45.5178.2-176.8180178.1179.20111.6S65 D66 V67 K72 S73S65-K69 WeakPolarHBondContact O-CB 3.36Å; S65-K69 PolarHBondContact O-N 3.28Å; S65-K69 VanDerWaalsContact O-N 3.15Å; D66-K69 PolarHBondContact O-N 3.44Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.06Å; K69-K72 PolarHBondContact O-N 3.48Å; K69-S73 PolarHBondContact O-N 2.78Å; K69-S73 VanDerWaalsContact O-N 3.09Å
70N96.5Very high94.2Very high18 Ų1858.3 Ų58.310%0.09629%0.293CS..Hα-helixtrans-70-37.9-179.9-71.6-75.1000112.3E36 I39 D66 V67 K72 S73 L74E36-N70 HydrophobicContact CG-CB 4.2Å; E36-N70 WeakPolarHBondContact CG-OD1 3.39Å; I39-N70 HydrophobicContact CD1-CB 3.5Å; D66-N70 PolarHBondContact O-N 3.35Å; D66-N70 PolarHBondContact O-ND2 3.04Å; V67-N70 PolarHBondContact O-N 2.99Å; V67-N70 VanDerWaalsContact O-N 3.14Å; N70-K72 PolarHBondContact O-N 3.29Å; N70-S73 WeakPolarHBondContact O-CB 3.41Å; N70-S73 PolarHBondContact O-N 2.98Å; N70-L74 WeakPolarHBondContact O-CB 3.47Å; N70-L74 WeakPolarHBondContact O-CG 3.5Å; N70-L74 PolarHBondContact O-N 2.96Å
71I96.1Very high94.7Very high3 Ų361.5 Ų61.52%0.01531%0.31CS..Hα-helixtrans-60.9-44.8173.6-68.1-67.1000111.2I39 F43 L53 I56 V67 S73 L74 S75 I80 V94I39-I71 HydrophobicContact CG2-CD1 3.81Å; F43-I71 HydrophobicContact CE2-CD1 4.46Å; L53-I71 HydrophobicContact CD1-CG1 3.91Å; I56-I71 HydrophobicContact CD1-CD1 4.31Å; V67-I71 HydrophobicContact CG1-CG1 4.14Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.15Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 2.92Å; I71-L74 PolarHBondContact O-N 3.37Å; I71-S75 WeakPolarHBondContact O-CB 3.35Å; I71-S75 PolarHBondContact O-N 3.45Å; I71-I80 HydrophobicContact CB-CD1 4.44Å; I71-I80 HydrophobicContact CD1-CD1 3.72Å; I71-I80 HydrophobicContact CG2-CD1 4.04Å; I71-V94 HydrophobicContact CD1-CG1 4.35Å; I71-V94 HydrophobicContact CD1-CG2 4.25Å; I71-V94 HydrophobicContact CG2-CG2 3.92Å
72K95.8Very high95.1Very high115 Ų11563.2 Ų63.250%0.532%0.315SS..Hα-helixtrans-59.6-41.8174.6-74177.3-178.8-178.20111.8V68 K69 N70 K76V68-K72 HydrophobicContact CG1-CD 4.38Å; V68-K72 WeakPolarHBondContact O-CG 3.5Å; V68-K72 PolarHBondContact O-N 3.31Å; K69-K72 PolarHBondContact O-N 3.48Å; N70-K72 PolarHBondContact O-N 3.29Å; K72-K76 WeakPolarHBondContact O-CG 3.43Å; K72-K76 PolarHBondContact O-N 3.02Å; K72-K76 VanDerWaalsContact O-N 3.14Å
73S96.7Very high95.3Very high36 Ų3664.2 Ų64.225%0.25233%0.327SS..Hα-helixtrans-64.8-50178.1-178.50000112.1E36 K69 N70 I71 S75 K76 K77E36-S73 WeakPolarHBondContact OE1-CB 3.49Å; E36-S73 PolarHBondContact OE1-OG 2.99Å; K69-S73 PolarHBondContact O-N 2.78Å; K69-S73 VanDerWaalsContact O-N 3.09Å; N70-S73 WeakPolarHBondContact O-CB 3.41Å; N70-S73 PolarHBondContact O-N 2.98Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 2.92Å; S73-S75 VanDerWaalsContact C-N 3.28Å; S73-S75 PolarHBondContact O-N 2.71Å; S73-K76 PolarHBondContact O-N 2.97Å; S73-K77 WeakPolarHBondContact O-CG 3.11Å; S73-K77 PolarHBondContact O-N 3.28Å; S73-K77 WeakPolarHBondContact OG-CE 3.23Å
74L97.5Very high95.3Very high0 Ų064.1 Ų64.10%032%0.322CS..Hα-helixtrans-61.1-36.6178.2-75.3174.7000112.6L32 E36 I39 L40 N70 I71 K77 G78 F79 I80L32-L74 HydrophobicContact CD2-CD2 4.18Å; E36-L74 HydrophobicContact CB-CD1 4.36Å; E36-L74 HydrophobicContact CB-CD2 3.87Å; E36-L74 HydrophobicContact CB-CG 4.17Å; E36-L74 HydrophobicContact CG-CD2 4.13Å; E36-L74 HydrophobicContact CG-CG 4.05Å; I39-L74 HydrophobicContact CB-CD1 3.88Å; I39-L74 HydrophobicContact CD1-CD1 4.45Å; I39-L74 HydrophobicContact CG2-CD1 3.58Å; L40-L74 HydrophobicContact CD1-CD2 4.16Å; L40-L74 HydrophobicContact CD2-CD1 3.91Å; L40-L74 HydrophobicContact CD2-CD2 3.81Å; L40-L74 HydrophobicContact CD2-CG 4.41Å; L40-L74 HydrophobicContact CG-CD1 4.33Å; L40-L74 HydrophobicContact CG-CD2 3.99Å; N70-L74 WeakPolarHBondContact O-CB 3.47Å; N70-L74 WeakPolarHBondContact O-CG 3.5Å; N70-L74 PolarHBondContact O-N 2.96Å; I71-L74 PolarHBondContact O-N 3.37Å; L74-K77 CarbonylContact O-C 3.54Å; L74-K77 PolarHBondContact O-N 3.19Å; L74-G78 PolarHBondContact O-N 2.98Å; L74-F79 HydrophobicContact CD2-CB 4.33Å; L74-F79 HydrophobicContact CD2-CD2 4.05Å; L74-F79 HydrophobicContact CD2-CG 4.38Å; L74-F79 PolarHBondContact O-N 2.74Å; L74-I80 HydrophobicContact CB-CD1 3.57Å; L74-I80 HydrophobicContact CB-CG1 3.85Å; L74-I80 HydrophobicContact CD1-CD1 4.28Å
75S96.5Very high94.8Very high40 Ų4060.4 Ų60.428%0.2831%0.306SS..Hα-helixtrans-64.8-45.7174.6-178.90000111.9I71 S73 K77 G78 I80I71-S75 WeakPolarHBondContact O-CB 3.35Å; I71-S75 PolarHBondContact O-N 3.45Å; S73-S75 VanDerWaalsContact C-N 3.28Å; S73-S75 PolarHBondContact O-N 2.71Å; S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.05Å; S75-G78 PolarHBondContact O-N 3.37Å; S75-I80 VanDerWaalsContact CA-O 3.31Å; S75-I80 WeakPolarHBondContact CA-O 3.33Å; S75-I80 PolarHBondContact OG-O 2.57Å
76K96.1Very high94.3Very high189 Ų18965.7 Ų65.782%0.82232%0.322SS*.Hα-helixtrans-60.7-33.9173.2-72.4-177.4177.6-167.80113K72 S73 G78K72-K76 WeakPolarHBondContact O-CG 3.43Å; K72-K76 PolarHBondContact O-N 3.02Å; K72-K76 VanDerWaalsContact O-N 3.14Å; S73-K76 PolarHBondContact O-N 2.97Å; K76-G78 PolarHBondContact O-N 3.17Å
77K96.2Very high93.8Very high72 Ų7268 Ų6831%0.31335%0.348SS..THydrogen-bonded Turntrans-78.21.4175.6-66.3174.3-175.2177.50113.1K31 L32 E36 S73 L74 S75 F79 K103K31-K77 PolarHBondContact O-NZ 3.4Å; L32-K77 HydrophobicContact CD2-CD 3.58Å; E36-K77 VanDerWaalsContact CD-NZ 3.27Å; E36-K77 IonicContact OE1-NZ 3.22Å; E36-K77 PolarHBondContact OE1-NZ 3.12Å; E36-K77 IonicContact OE2-NZ 2.82Å; E36-K77 PolarHBondContact OE2-NZ 3.5Å; S73-K77 WeakPolarHBondContact O-CG 3.11Å; S73-K77 PolarHBondContact O-N 3.28Å; S73-K77 WeakPolarHBondContact OG-CE 3.23Å; L74-K77 CarbonylContact O-C 3.54Å; L74-K77 PolarHBondContact O-N 3.19Å; S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.05Å; K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 HydrophobicContact CB-CD2 3.69Å; K77-F79 HydrophobicContact CB-CE2 3.98Å; K77-F79 PolarHBondContact O-N 3.3Å; K77-K103 PolarHBondContact O-NZ 3.46Å
78G96.4Very high93.2Very high32 Ų3270.5 Ų70.533%0.3336%0.361SS..THydrogen-bonded Turntrans68.126.2176.500000114.2L74 S75 K76L74-G78 PolarHBondContact O-N 2.98Å; S75-G78 PolarHBondContact O-N 3.37Å; K76-G78 PolarHBondContact O-N 3.17Å
79F97.2Very high92.5Very high18 Ų1875.3 Ų75.38%0.07938%0.381CS..SBendtrans-87.5-28.1174.8-77-79.8000113.1L32 L40 L74 K77 Q100 K103 I104 V107L32-F79 HydrophobicContact CD1-CE2 4.18Å; L32-F79 HydrophobicContact CD1-CZ 4.07Å; L32-F79 HydrophobicContact CD2-CE2 4.08Å; L40-F79 HydrophobicContact CD1-CD1 3.86Å; L40-F79 HydrophobicContact CD1-CE1 3.98Å; L40-F79 HydrophobicContact CD1-CG 4.16Å; L40-F79 HydrophobicContact CD1-CZ 4.4Å; L40-F79 HydrophobicContact CD2-CB 3.85Å; L40-F79 HydrophobicContact CD2-CD1 4.25Å; L40-F79 HydrophobicContact CD2-CG 4.14Å; L74-F79 HydrophobicContact CD2-CB 4.33Å; L74-F79 HydrophobicContact CD2-CD2 4.05Å; L74-F79 HydrophobicContact CD2-CG 4.38Å; L74-F79 PolarHBondContact O-N 2.74Å; K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 HydrophobicContact CB-CD2 3.69Å; K77-F79 HydrophobicContact CB-CE2 3.98Å; K77-F79 PolarHBondContact O-N 3.3Å; F79-Q100 WeakPolarHBondContact O-CB 3.35Å; F79-K103 HydrophobicContact CD1-CD 3.86Å; F79-K103 HydrophobicContact CD1-CG 4.06Å; F79-K103 HydrophobicContact CE1-CD 3.75Å; F79-K103 HydrophobicContact CE1-CG 3.69Å; F79-K103 HydrophobicContact CZ-CD 4.3Å; F79-K103 HydrophobicContact CZ-CG 4.48Å; F79-I104 HydrophobicContact CD1-CG1 4.01Å; F79-V107 HydrophobicContact CE1-CG2 3.75Å; F79-V107 HydrophobicContact CZ-CG2 4.07Å
80I97.3Very high91.9Very high0 Ų078.8 Ų78.80%039%0.39CS..  trans-145.8156.4-174.261.4-178.8000109.9F43 I71 L74 S75 V94 V96F43-I80 HydrophobicContact CD2-CG2 4.2Å; F43-I80 HydrophobicContact CE2-CG2 4.16Å; I71-I80 HydrophobicContact CB-CD1 4.44Å; I71-I80 HydrophobicContact CD1-CD1 3.72Å; I71-I80 HydrophobicContact CG2-CD1 4.04Å; L74-I80 HydrophobicContact CB-CD1 3.57Å; L74-I80 HydrophobicContact CB-CG1 3.85Å; L74-I80 HydrophobicContact CD1-CD1 4.28Å; S75-I80 VanDerWaalsContact CA-O 3.31Å; S75-I80 WeakPolarHBondContact CA-O 3.33Å; S75-I80 PolarHBondContact OG-O 2.57Å; I80-V94 HydrophobicContact CB-CG1 3.9Å; I80-V94 HydrophobicContact CD1-CG1 3.67Å; I80-V94 HydrophobicContact CG1-CG1 4.15Å; I80-V94 HydrophobicContact CG2-CG1 4.35Å; I80-V96 HydrophobicContact CG2-CG2 4.03Å
81N96.4Very high91.5Very high67 Ų6785.1 Ų85.136%0.35841%0.412SS..EExtended strand (participates in β ladder)trans-103.9149.7169.4-66.1-21.8000109.7V94 S95 T97 Q100N81-V94 CarbonylContact O-C 3.55Å; N81-V94 VanDerWaalsContact O-CA 3.27Å; N81-V94 WeakPolarHBondContact O-CA 3.35Å; N81-V94 WeakPolarHBondContact O-CG1 3.45Å; N81-S95 PolarHBondContact N-O 3.1Å; N81-S95 PolarHBondContact O-N 3.19Å; N81-T97 WeakPolarHBondContact ND2-CG2 3.39Å; N81-Q100 PolarHBondContact OD1-NE2 2.62Å
82K93.7Very high91.3Very high97 Ų9786.9 Ų86.942%0.42242%0.421SS..EExtended strand (participates in β ladder)trans-127118.6176.9-179.3-159.770.4-177.40108.3I92 F93K82-I92 HydrophobicContact CD-CG2 4.05Å; K82-I92 HydrophobicContact CG-CG2 3.52Å; K82-F93 WeakPolarHBondContact CA-O 3.36Å
83S92.1Very high91.2Very high54 Ų5484 Ų8438%0.37841%0.409SS..EExtended strand (participates in β ladder)trans-119.9159.3177.356.10000110.9I92 F93S83-I92 WeakPolarHBondContact O-CA 3.1Å; S83-F93 PolarHBondContact N-O 2.83Å; S83-F93 PolarHBondContact O-N 3.43Å
84R90.2Very high91.2Very high154 Ų15482.3 Ų82.358%0.58140%0.397SS*.EExtended strand (participates in β ladder)trans-99.8148.3167.9-67.9-179.3179.2-89.99108.1E89 R91R84-E89 WeakPolarHBondContact CD-O 3.43Å; R84-E89 PolarHBondContact NH1-O 2.84Å; R84-R91 WeakPolarHBondContact CA-O 3.48Å
85N84.2Confident91.1Very high50 Ų5083.3 Ų83.327%0.26740%0.404SS..  trans-71.9137.6172-171.5-47.8000109.4A87 D88 E89 R91 F93N85-A87 WeakPolarHBondContact OD1-CB 3.49Å; N85-A87 PolarHBondContact OD1-N 3.35Å; N85-D88 WeakPolarHBondContact CB-O 3.3Å; N85-D88 CarbonylContact O-C 3.28Å; N85-D88 VanDerWaalsContact O-C 3.28Å; N85-E89 WeakPolarHBondContact O-CA 3.41Å; N85-E89 PolarHBondContact O-N 2.84Å; N85-R91 HydrophobicContact CB-CB 3.89Å; N85-R91 PolarHBondContact N-O 3.01Å; N85-F93 HydrophobicContact CB-CD2 4.19Å; N85-F93 HydrophobicContact CB-CE2 3.93Å
86E82.7Confident91.1Very high194 Ų19481.4 Ų81.491%0.90739%0.391SS*.SBendtrans-69-32.5-179.5-64.4177.7177.800112.8
87A82.7Confident91.1Very high97 Ų9774.4 Ų74.480%0.80236%0.364SS*.SBendtrans-81.6-27.3179.500000113.2N85N85-A87 WeakPolarHBondContact OD1-CB 3.49Å; N85-A87 PolarHBondContact OD1-N 3.35Å
88D83.1Confident91.1Very high52 Ų5275.6 Ų75.628%0.27838%0.379SS..  trans-146.894.5178.2179.3-0.3000109.3N85 R90 R91N85-D88 WeakPolarHBondContact CB-O 3.3Å; N85-D88 CarbonylContact O-C 3.28Å; N85-D88 VanDerWaalsContact O-C 3.28Å; D88-R90 PolarHBondContact O-N 3.19Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 3.46Å; D88-R90 PolarHBondContact OD1-N 3.46Å; D88-R90 VanDerWaalsContact OD1-N 3.12Å; D88-R91 HydrophobicContact CB-CG 4.11Å; D88-R91 WeakPolarHBondContact O-CB 3.43Å; D88-R91 PolarHBondContact O-N 2.75Å; D88-R91 WeakPolarHBondContact OD2-CG 3.49Å; D88-R91 IonicContact OD2-CZ 3.18Å; D88-R91 IonicContact OD2-NE 2.79Å; D88-R91 PolarHBondContact OD2-NE 3.29Å; D88-R91 IonicContact OD2-NH2 3.29Å
89E79.3Confident91.1Very high141 Ų14180.8 Ų80.866%0.65940%0.398SS*.THydrogen-bonded Turntrans-59.2-16.4-176.2-63.6-170.2162.100113.8R84 N85 R91R84-E89 WeakPolarHBondContact CD-O 3.43Å; R84-E89 PolarHBondContact NH1-O 2.84Å; N85-E89 WeakPolarHBondContact O-CA 3.41Å; N85-E89 PolarHBondContact O-N 2.84Å; E89-R91 VanDerWaalsContact C-N 3.27Å
90R83.7Confident91.2Very high226 Ų22680.8 Ų80.885%0.85340%0.398SS*.THydrogen-bonded Turntrans-74.3-20.7175.8-56.1176.6177.4164.50.2111.7D88D88-R90 PolarHBondContact O-N 3.19Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 3.46Å; D88-R90 PolarHBondContact OD1-N 3.46Å; D88-R90 VanDerWaalsContact OD1-N 3.12Å
91R87.8Confident91.1Very high150 Ų15083.3 Ų83.357%0.56641%0.408SS*.  trans-84116.6175.1-62.5179.4-169.5-162.1-3109.7R84 N85 D88 E89 F93R84-R91 WeakPolarHBondContact CA-O 3.48Å; N85-R91 HydrophobicContact CB-CB 3.89Å; N85-R91 PolarHBondContact N-O 3.01Å; D88-R91 HydrophobicContact CB-CG 4.11Å; D88-R91 WeakPolarHBondContact O-CB 3.43Å; D88-R91 PolarHBondContact O-N 2.75Å; D88-R91 WeakPolarHBondContact OD2-CG 3.49Å; D88-R91 IonicContact OD2-CZ 3.18Å; D88-R91 IonicContact OD2-NE 2.79Å; D88-R91 PolarHBondContact OD2-NE 3.29Å; D88-R91 IonicContact OD2-NH2 3.29Å; E89-R91 VanDerWaalsContact C-N 3.27Å; R91-F93 HydrophobicContact CB-CE2 4.15Å
92I92Very high91.2Very high40 Ų4088.1 Ų88.121%0.20543%0.425CS..EExtended strand (participates in β ladder)trans-101.8130.5176.8-62171.1000108.4L53 K82 S83L53-I92 HydrophobicContact CB-CB 4.04Å; L53-I92 HydrophobicContact CB-CG2 4.19Å; L53-I92 WeakPolarHBondContact CB-O 3.44Å; L53-I92 HydrophobicContact CD2-CB 4.04Å; L53-I92 HydrophobicContact CD2-CD1 4.02Å; L53-I92 HydrophobicContact CD2-CG2 4.09Å; L53-I92 PolarHBondContact N-O 3.28Å; K82-I92 HydrophobicContact CD-CG2 4.05Å; K82-I92 HydrophobicContact CG-CG2 3.52Å; S83-I92 WeakPolarHBondContact O-CA 3.1Å
93F94Very high91.3Very high56 Ų5687.8 Ų87.825%0.24642%0.424CS..EExtended strand (participates in β ladder)trans-109.8148.4171.4-73.6-90.9000110K82 S83 N85 R91K82-F93 WeakPolarHBondContact CA-O 3.36Å; S83-F93 PolarHBondContact N-O 2.83Å; S83-F93 PolarHBondContact O-N 3.43Å; N85-F93 HydrophobicContact CB-CD2 4.19Å; N85-F93 HydrophobicContact CB-CE2 3.93Å; R91-F93 HydrophobicContact CB-CE2 4.15Å
94V95.9Very high91.6Very high0 Ų085.3 Ų85.30%041%0.406CS..EExtended strand (participates in β ladder)trans-121.4119.7176.3-1760000107.5F43 S50 I51 I56 I71 I80 N81F43-V94 HydrophobicContact CE1-CB 4.36Å; F43-V94 HydrophobicContact CE1-CG1 4.08Å; F43-V94 HydrophobicContact CE2-CG1 3.92Å; F43-V94 HydrophobicContact CZ-CB 3.75Å; F43-V94 HydrophobicContact CZ-CG1 3.3Å; S50-V94 WeakPolarHBondContact CA-O 3.33Å; I51-V94 PolarHBondContact N-O 3.34Å; I51-V94 PolarHBondContact O-N 3.05Å; I56-V94 HydrophobicContact CD1-CB 4.03Å; I56-V94 HydrophobicContact CD1-CG2 3.96Å; I71-V94 HydrophobicContact CD1-CG1 4.35Å; I71-V94 HydrophobicContact CD1-CG2 4.25Å; I71-V94 HydrophobicContact CG2-CG2 3.92Å; I80-V94 HydrophobicContact CB-CG1 3.9Å; I80-V94 HydrophobicContact CD1-CG1 3.67Å; I80-V94 HydrophobicContact CG1-CG1 4.15Å; I80-V94 HydrophobicContact CG2-CG1 4.35Å; N81-V94 CarbonylContact O-C 3.55Å; N81-V94 VanDerWaalsContact O-CA 3.27Å; N81-V94 WeakPolarHBondContact O-CA 3.35Å; N81-V94 WeakPolarHBondContact O-CG1 3.45Å
95S95.9Very high91.9Very high20 Ų2079.1 Ų79.114%0.1439%0.388CS..EExtended strand (participates in β ladder)trans-118154.9-17762.80000112.7H49 N81H49-S95 CarbonylContact O-C 3.55Å; H49-S95 WeakPolarHBondContact O-CA 3.27Å; H49-S95 WeakPolarHBondContact O-CB 3.43Å; N81-S95 PolarHBondContact N-O 3.1Å; N81-S95 PolarHBondContact O-N 3.19Å
96V97Very high92.5Very high1 Ų180.2 Ų80.21%0.00640%0.399CS..  trans-128.9110.2-178.2-174.70000109.2F43 H49 I80 Q100 R101 I104F43-V96 HydrophobicContact CB-CG2 4.13Å; F43-V96 HydrophobicContact CD1-CG2 3.53Å; F43-V96 HydrophobicContact CD2-CG2 4.47Å; F43-V96 HydrophobicContact CE1-CG2 4.03Å; F43-V96 HydrophobicContact CG-CG2 3.79Å; H49-V96 PolarHBondContact CE1-O 3.42Å; H49-V96 VanDerWaalsContact CE1-O 3.25Å; H49-V96 PolarHBondContact ND1-O 3.26Å; H49-V96 PolarHBondContact O-N 3.27Å; I80-V96 HydrophobicContact CG2-CG2 4.03Å; V96-Q100 HydrophobicContact CG1-CB 3.77Å; V96-R101 HydrophobicContact CG1-CB 4.03Å; V96-I104 HydrophobicContact CG1-CD1 3.78Å; V96-I104 HydrophobicContact CG2-CD1 4.33Å
97T96.4Very high93.2Very high41 Ų4171.7 Ų71.725%0.25236%0.36SS..  trans-67.9162.6176.170.60000111.6N81 I99 Q100 R101N81-T97 WeakPolarHBondContact ND2-CG2 3.39Å; T97-I99 VanDerWaalsContact C-N 3.27Å; T97-I99 PolarHBondContact O-N 3.4Å; T97-Q100 WeakPolarHBondContact O-CB 3.41Å; T97-Q100 PolarHBondContact O-N 3.34Å; T97-Q100 VanDerWaalsContact O-N 3.14Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.39Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.3Å; T97-Q100 PolarHBondContact OG1-N 3.01Å; T97-Q100 PolarHBondContact OG1-OE1 2.94Å; T97-R101 WeakPolarHBondContact O-CB 3.42Å; T97-R101 PolarHBondContact O-N 3.19Å
98P96.1Very high93.8Very high98 Ų9867.1 Ų67.164%0.63632%0.322SS*.Hα-helixtrans-56-38175.7-2836.3000113.9R101 K102P98-R101 PolarHBondContact O-N 3.15Å; P98-K102 PolarHBondContact O-N 3.25Å; P98-K102 VanDerWaalsContact O-N 3.12Å
99I96.4Very high94.5Very high141 Ų14168.2 Ų68.272%0.72333%0.328SS*.Hα-helixtrans-65.3-46.5176.4-62.3172.4000110.4T97 R101 K102 K103T97-I99 VanDerWaalsContact C-N 3.27Å; T97-I99 PolarHBondContact O-N 3.4Å; I99-R101 VanDerWaalsContact C-N 3.31Å; I99-R101 PolarHBondContact O-N 3.26Å; I99-K102 PolarHBondContact O-N 2.95Å; I99-K103 PolarHBondContact O-N 3.27Å; I99-K103 VanDerWaalsContact O-N 3.12Å
100Q97.5Very high95.3Very high18 Ų1864.9 Ų64.98%0.08431%0.312CS..Hα-helixtrans-62.1-39176.2-75.9171-2000111.8F79 N81 V96 T97 K102 K103 I104F79-Q100 WeakPolarHBondContact O-CB 3.35Å; N81-Q100 PolarHBondContact OD1-NE2 2.62Å; V96-Q100 HydrophobicContact CG1-CB 3.77Å; T97-Q100 WeakPolarHBondContact O-CB 3.41Å; T97-Q100 PolarHBondContact O-N 3.34Å; T97-Q100 VanDerWaalsContact O-N 3.14Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.39Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.3Å; T97-Q100 PolarHBondContact OG1-N 3.01Å; T97-Q100 PolarHBondContact OG1-OE1 2.94Å; Q100-K102 PolarHBondContact O-N 3.37Å; Q100-K103 WeakPolarHBondContact O-CA 3.45Å; Q100-K103 WeakPolarHBondContact O-CB 3.41Å; Q100-K103 PolarHBondContact O-N 3.48Å; Q100-K103 VanDerWaalsContact O-N 3.11Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 2.75Å
101R97.1Very high95.9Very high53 Ų5354.1 Ų54.120%0.227%0.272CS..Hα-helixtrans-61.5-43.1177.5-169173.4-63.1-79.4-9.8111.8N47 E48 V96 T97 P98 I99 K103 I104 A105N47-R101 PolarHBondContact OD1-NH1 3.3Å; E48-R101 PolarHBondContact O-NH2 3.07Å; V96-R101 HydrophobicContact CG1-CB 4.03Å; T97-R101 WeakPolarHBondContact O-CB 3.42Å; T97-R101 PolarHBondContact O-N 3.19Å; P98-R101 PolarHBondContact O-N 3.15Å; I99-R101 VanDerWaalsContact C-N 3.31Å; I99-R101 PolarHBondContact O-N 3.26Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.18Å; R101-I104 PolarHBondContact O-N 2.79Å; R101-A105 WeakPolarHBondContact O-CB 3.36Å; R101-A105 PolarHBondContact O-N 2.79Å
102K97.1Very high96.3Very high167 Ų16748 Ų4873%0.72625%0.25SS*.Hα-helixtrans-60.3-42.4172.5-70.1-179.2179.7-177.20111.7P98 I99 Q100 A105 C106P98-K102 PolarHBondContact O-N 3.25Å; P98-K102 VanDerWaalsContact O-N 3.12Å; I99-K102 PolarHBondContact O-N 2.95Å; Q100-K102 PolarHBondContact O-N 3.37Å; K102-A105 PolarHBondContact O-N 2.89Å; K102-C106 PolarHBondContact O-N 3.29Å
103K96.6Very high96.5Very high91 Ų9152.1 Ų52.140%0.39627%0.267SS..Hα-helixtrans-62-43.2176.3-168-175.1-178.6178.70112K77 F79 I99 Q100 R101 C106 V107K77-K103 PolarHBondContact O-NZ 3.46Å; F79-K103 HydrophobicContact CD1-CD 3.86Å; F79-K103 HydrophobicContact CD1-CG 4.06Å; F79-K103 HydrophobicContact CE1-CD 3.75Å; F79-K103 HydrophobicContact CE1-CG 3.69Å; F79-K103 HydrophobicContact CZ-CD 4.3Å; F79-K103 HydrophobicContact CZ-CG 4.48Å; I99-K103 PolarHBondContact O-N 3.27Å; I99-K103 VanDerWaalsContact O-N 3.12Å; Q100-K103 WeakPolarHBondContact O-CA 3.45Å; Q100-K103 WeakPolarHBondContact O-CB 3.41Å; Q100-K103 PolarHBondContact O-N 3.48Å; Q100-K103 VanDerWaalsContact O-N 3.11Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.18Å; K103-C106 PolarHBondContact O-N 3.43Å; K103-V107 PolarHBondContact O-N 3.03Å
104I97.2Very high96.6Very high2 Ų250.5 Ų50.51%0.0126%0.26CS..Hα-helixtrans-63.8-46.7175.7-68.2175.5000110.5L40 F43 Y44 F79 V96 Q100 R101 C106 V107 I108L40-I104 HydrophobicContact CB-CG2 4.23Å; L40-I104 HydrophobicContact CD2-CD1 4.02Å; L40-I104 HydrophobicContact CD2-CG1 4.02Å; L40-I104 WeakPolarHBondContact O-CG2 3.18Å; F43-I104 HydrophobicContact CB-CD1 4.34Å; Y44-I104 HydrophobicContact CD2-CG2 4.36Å; F79-I104 HydrophobicContact CD1-CG1 4.01Å; V96-I104 HydrophobicContact CG1-CD1 3.78Å; V96-I104 HydrophobicContact CG2-CD1 4.33Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 2.75Å; R101-I104 PolarHBondContact O-N 2.79Å; I104-C106 VanDerWaalsContact C-N 3.26Å; I104-C106 PolarHBondContact O-N 3.07Å; I104-V107 WeakPolarHBondContact O-CB 3.46Å; I104-V107 PolarHBondContact O-N 3.31Å; I104-I108 HydrophobicContact CG2-CG1 4.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.29Å
105A97.5Very high96.7Very high23 Ų2350.5 Ų50.519%0.1926%0.26CS..Hα-helixtrans-57-40.3178.300000112.3Y44 R101 K102 I108 N109Y44-A105 HydrophobicContact CD2-CB 4.12Å; Y44-A105 HydrophobicContact CE2-CB 3.67Å; R101-A105 WeakPolarHBondContact O-CB 3.36Å; R101-A105 PolarHBondContact O-N 2.79Å; K102-A105 PolarHBondContact O-N 2.89Å; A105-I108 PolarHBondContact O-N 3.19Å; A105-N109 WeakPolarHBondContact O-CB 3.5Å; A105-N109 PolarHBondContact O-N 3.02Å; A105-N109 PolarHBondContact O-ND2 3.37Å
106C96.9Very high96.7Very high73 Ų7354.1 Ų54.149%0.49327%0.274SS..Hα-helixtrans-59-47.5173.8-174.10000111.9K102 K103 I104 I108 N109 E110K102-C106 PolarHBondContact O-N 3.29Å; K103-C106 PolarHBondContact O-N 3.43Å; I104-C106 VanDerWaalsContact C-N 3.26Å; I104-C106 PolarHBondContact O-N 3.07Å; C106-I108 VanDerWaalsContact C-N 3.35Å; C106-I108 PolarHBondContact O-N 3.01Å; C106-N109 PolarHBondContact O-N 3.22Å; C106-E110 WeakPolarHBondContact O-CG 3.45Å; C106-E110 PolarHBondContact O-N 3.45Å
107V96.4Very high96.7Very high16 Ų1655.8 Ų55.810%0.09729%0.291CS..Hα-helixtrans-60.8-42.7177.1174.70000111.9Y30 L32 L37 L40 F79 K103 I104 E110 L111Y30-V107 HydrophobicContact CE1-CG1 4.37Å; L32-V107 HydrophobicContact CD1-CG1 4.25Å; L37-V107 HydrophobicContact CD2-CG1 3.7Å; L40-V107 HydrophobicContact CD1-CG1 4.31Å; F79-V107 HydrophobicContact CE1-CG2 3.75Å; F79-V107 HydrophobicContact CZ-CG2 4.07Å; K103-V107 PolarHBondContact O-N 3.03Å; I104-V107 WeakPolarHBondContact O-CB 3.46Å; I104-V107 PolarHBondContact O-N 3.31Å; V107-E110 PolarHBondContact O-N 3.03Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 PolarHBondContact O-N 3.24Å
108I96.9Very high96.7Very high0 Ų054.1 Ų54.10%028%0.28CS..Hα-helixtrans-67.3-42.7179.7-62.9-56.7000111.7A41 Y44 I104 A105 C106 E110 L111 D112 S134A41-I108 HydrophobicContact CB-CD1 3.85Å; Y44-I108 HydrophobicContact CD1-CB 4.4Å; Y44-I108 HydrophobicContact CD1-CG1 4.26Å; Y44-I108 HydrophobicContact CD1-CG2 3.86Å; Y44-I108 HydrophobicContact CD2-CB 4.33Å; Y44-I108 HydrophobicContact CD2-CG1 4.13Å; Y44-I108 HydrophobicContact CE1-CG2 3.84Å; Y44-I108 HydrophobicContact CE2-CB 4.49Å; Y44-I108 HydrophobicContact CG-CB 4.29Å; Y44-I108 HydrophobicContact CG-CG1 3.85Å; Y44-I108 HydrophobicContact CG-CG2 4.25Å; I104-I108 HydrophobicContact CG2-CG1 4.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.29Å; A105-I108 PolarHBondContact O-N 3.19Å; C106-I108 VanDerWaalsContact C-N 3.35Å; C106-I108 PolarHBondContact O-N 3.01Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 2.8Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 2.9Å; I108-D112 PolarHBondContact O-N 3.16Å; I108-S134 WeakPolarHBondContact CG2-OG 3.23Å
109N96.7Very high96.7Very high75 Ų7550 Ų5040%0.40125%0.253SS..Hα-helixtrans-63.5-39.7177.1-70.7-15.5000112.2A105 C106 D112 K113A105-N109 WeakPolarHBondContact O-CB 3.5Å; A105-N109 PolarHBondContact O-N 3.02Å; A105-N109 PolarHBondContact O-ND2 3.37Å; C106-N109 PolarHBondContact O-N 3.22Å; N109-D112 PolarHBondContact O-N 2.73Å; N109-K113 WeakPolarHBondContact O-CG 3.38Å; N109-K113 PolarHBondContact O-N 2.96Å
110E95.8Very high96.7Very high72 Ų7251 Ų5134%0.33625%0.252SS..Hα-helixtrans-67.7-40.1174.5-69.9-54.2123.200111.7Y30 C106 V107 I108 D112 K113 I114Y30-E110 WeakPolarHBondContact OH-CB 3.37Å; C106-E110 WeakPolarHBondContact O-CG 3.45Å; C106-E110 PolarHBondContact O-N 3.45Å; V107-E110 PolarHBondContact O-N 3.03Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 2.8Å; E110-D112 VanDerWaalsContact C-N 3.29Å; E110-D112 PolarHBondContact O-N 3.36Å; E110-K113 WeakPolarHBondContact O-CB 3.48Å; E110-K113 PolarHBondContact O-N 3.06Å; E110-K113 VanDerWaalsContact O-N 3.13Å; E110-K113 IonicContact OE1-NZ 2.72Å; E110-K113 PolarHBondContact OE1-NZ 2.92Å; E110-K113 IonicContact OE2-NZ 3.79Å; E110-I114 WeakPolarHBondContact O-CG1 3.31Å; E110-I114 PolarHBondContact O-N 2.86Å
111L96.7Very high96.7Very high0 Ų057.1 Ų57.10%028%0.28CS..Hα-helixtrans-58.7-41.1173.717960.2000111.8L26 V107 I108 K113 I114 I115 F138L26-L111 HydrophobicContact CD1-CD1 3.77Å; L26-L111 HydrophobicContact CD2-CD1 3.37Å; L26-L111 HydrophobicContact CG-CD1 4.22Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 PolarHBondContact O-N 3.24Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 2.9Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.31Å; L111-I114 PolarHBondContact O-N 3.44Å; L111-I115 HydrophobicContact CD1-CD1 4.13Å; L111-I115 HydrophobicContact CD1-CG1 4.34Å; L111-I115 HydrophobicContact CG-CD1 3.94Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.2Å; L111-F138 HydrophobicContact CD2-CE2 3.6Å; L111-F138 HydrophobicContact CD2-CZ 3.74Å
112D97Very high96.6Very high22 Ų2259.9 Ų59.912%0.11829%0.291CS..Hα-helixtrans-62.3-40.1176-71.9-5.8000112.1I108 N109 E110 K116 Y133 S134I108-D112 PolarHBondContact O-N 3.16Å; N109-D112 PolarHBondContact O-N 2.73Å; E110-D112 VanDerWaalsContact C-N 3.29Å; E110-D112 PolarHBondContact O-N 3.36Å; D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.1Å; D112-K116 PolarHBondContact O-N 2.97Å; D112-K116 VanDerWaalsContact O-N 3.08Å; D112-Y133 HydrophobicContact CB-CD1 4.12Å; D112-S134 WeakPolarHBondContact OD1-CA 3.35Å; D112-S134 WeakPolarHBondContact OD1-CB 3.21Å; D112-S134 PolarHBondContact OD1-N 3.29Å; D112-S134 PolarHBondContact OD1-OG 3.48Å
113K96.1Very high96.4Very high126 Ų12655.9 Ų55.955%0.54828%0.277SS..Hα-helixtrans-63.3-44.1174.7-68.8173.9-174.9170.80111.5N109 E110 L111 K116 G117N109-K113 WeakPolarHBondContact O-CG 3.38Å; N109-K113 PolarHBondContact O-N 2.96Å; E110-K113 WeakPolarHBondContact O-CB 3.48Å; E110-K113 PolarHBondContact O-N 3.06Å; E110-K113 VanDerWaalsContact O-N 3.13Å; E110-K113 IonicContact OE1-NZ 2.72Å; E110-K113 PolarHBondContact OE1-NZ 2.92Å; E110-K113 IonicContact OE2-NZ 3.79Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.31Å; K113-K116 PolarHBondContact O-N 3.22Å; K113-G117 PolarHBondContact O-N 3.2Å
114I95.7Very high96.4Very high22 Ų2253.1 Ų53.111%0.11327%0.265CS..Hα-helixtrans-64.2-43.8179.7-66.9160.9000110.8L22 E25 L26 Q29 Y30 E110 L111 K116 G117 F118L22-I114 HydrophobicContact CD1-CG2 4.42Å; E25-I114 HydrophobicContact CG-CG2 4.49Å; L26-I114 HydrophobicContact CD2-CB 4.45Å; L26-I114 HydrophobicContact CD2-CD1 4.34Å; L26-I114 HydrophobicContact CD2-CG2 3.82Å; Q29-I114 VanDerWaalsContact OE1-CG1 3.26Å; Y30-I114 HydrophobicContact CD2-CD1 4.41Å; Y30-I114 HydrophobicContact CE2-CD1 3.4Å; Y30-I114 VanDerWaalsContact CE2-CD1 3.4Å; E110-I114 WeakPolarHBondContact O-CG1 3.31Å; E110-I114 PolarHBondContact O-N 2.86Å; L111-I114 PolarHBondContact O-N 3.44Å; I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 3.46Å; I114-G117 PolarHBondContact O-N 3.1Å; I114-F118 VanDerWaalsContact O-CB 3.26Å; I114-F118 WeakPolarHBondContact O-CB 3.49Å; I114-F118 PolarHBondContact O-N 2.94Å
115I97Very high96.2Very high0 Ų058.5 Ų58.50%029%0.292CS..Hα-helixtrans-58.5-46.7176-72.3165.2000110.6L22 L111 F118 N119 P131 F137L22-I115 HydrophobicContact CD2-CG1 3.89Å; L111-I115 HydrophobicContact CD1-CD1 4.13Å; L111-I115 HydrophobicContact CD1-CG1 4.34Å; L111-I115 HydrophobicContact CG-CD1 3.94Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.2Å; I115-F118 PolarHBondContact O-N 3.08Å; I115-N119 WeakPolarHBondContact O-CB 3.47Å; I115-N119 VanDerWaalsContact O-CG 3.22Å; I115-N119 PolarHBondContact O-N 3Å; I115-N119 PolarHBondContact O-ND2 3.47Å; I115-P131 HydrophobicContact CG2-CG 4.45Å; I115-P131 WeakPolarHBondContact CG2-O 3.06Å; I115-F137 HydrophobicContact CD1-CB 3.76Å; I115-F137 HydrophobicContact CD1-CD1 4.24Å; I115-F137 HydrophobicContact CD1-CG 4.09Å
116K96.5Very high96Very high96 Ų9663.4 Ų63.442%0.41731%0.309SS..Hα-helixtrans-62.5-44.2177.2-72.4175178.1-174.60112.2D112 K113 I114 N119 K120 K132 Y133D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.1Å; D112-K116 PolarHBondContact O-N 2.97Å; D112-K116 VanDerWaalsContact O-N 3.08Å; K113-K116 PolarHBondContact O-N 3.22Å; I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 3.46Å; K116-N119 PolarHBondContact O-N 3.45Å; K116-K120 PolarHBondContact O-N 3.29Å; K116-K120 VanDerWaalsContact O-N 3.07Å; K116-K132 WeakPolarHBondContact CG-O 3.4Å; K116-Y133 PolarHBondContact NZ-OH 3.34Å
117G96.3Very high95.9Very high36 Ų3664.1 Ų64.137%0.37130%0.302SS..Hα-helixtrans-59.6-52176.100000111.9K113 I114 N119 K120 E121K113-G117 PolarHBondContact O-N 3.2Å; I114-G117 PolarHBondContact O-N 3.1Å; G117-N119 VanDerWaalsContact C-N 3.32Å; G117-N119 PolarHBondContact O-N 3.31Å; G117-K120 PolarHBondContact O-N 2.89Å; G117-K120 VanDerWaalsContact O-N 3.1Å; G117-E121 WeakPolarHBondContact O-CB 3.13Å; G117-E121 PolarHBondContact O-N 2.72Å
118F96.7Very high95.7Very high6 Ų673.1 Ų73.13%0.02634%0.343CS..Hα-helixtrans-57.2-43.6177.5-178.1-92.4000112.2Y18 F21 L22 E25 I114 I115 K120 R122 Y124Y18-F118 HydrophobicContact CD2-CD1 4.42Å; Y18-F118 AromaticContact CD2-CE1 3.8Å; Y18-F118 HydrophobicContact CD2-CE1 3.8Å; Y18-F118 AromaticContact CE2-CD1 3.67Å; Y18-F118 HydrophobicContact CE2-CD1 3.67Å; Y18-F118 AromaticContact CE2-CE1 3.5Å; Y18-F118 HydrophobicContact CE2-CE1 3.5Å; F21-F118 HydrophobicContact CB-CE2 4.28Å; F21-F118 HydrophobicContact CB-CZ 3.73Å; L22-F118 HydrophobicContact CB-CD1 4.28Å; L22-F118 HydrophobicContact CB-CE1 4.01Å; L22-F118 HydrophobicContact CB-CE2 4.42Å; L22-F118 HydrophobicContact CB-CZ 4.08Å; L22-F118 HydrophobicContact CD1-CB 4.06Å; L22-F118 HydrophobicContact CD1-CD1 4.15Å; L22-F118 HydrophobicContact CD1-CD2 4.14Å; L22-F118 HydrophobicContact CD1-CG 3.86Å; E25-F118 HydrophobicContact CB-CD2 4.26Å; E25-F118 HydrophobicContact CB-CE2 4.4Å; E25-F118 HydrophobicContact CG-CD2 4.16Å; I114-F118 VanDerWaalsContact O-CB 3.26Å; I114-F118 WeakPolarHBondContact O-CB 3.49Å; I114-F118 PolarHBondContact O-N 2.94Å; I115-F118 PolarHBondContact O-N 3.08Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 3.16Å; F118-R122 WeakPolarHBondContact O-CB 2.93Å; F118-R122 PolarHBondContact O-N 2.99Å; F118-R122 VanDerWaalsContact O-N 3.08Å; F118-Y124 HydrophobicContact CD1-CD2 4.2Å; F118-Y124 HydrophobicContact CD1-CE2 4.38Å; F118-Y124 AromaticContact CE1-CD2 3.78Å; F118-Y124 HydrophobicContact CE1-CD2 3.78Å; F118-Y124 AromaticContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CZ-CE2 4.06Å
119N97.4Very high95.6Very high10 Ų1074.8 Ų74.85%0.05335%0.35CS..Hα-helixtrans-62.3-40.6177.1-77-25.6000112.4Y18 I115 K116 G117 D123 Y124 I125 P131Y18-N119 WeakPolarHBondContact CE2-OD1 3.07Å; Y18-N119 PolarHBondContact OH-OD1 3.44Å; Y18-N119 VanDerWaalsContact OH-OD1 3.07Å; I115-N119 WeakPolarHBondContact O-CB 3.47Å; I115-N119 VanDerWaalsContact O-CG 3.22Å; I115-N119 PolarHBondContact O-N 3Å; I115-N119 PolarHBondContact O-ND2 3.47Å; K116-N119 PolarHBondContact O-N 3.45Å; G117-N119 VanDerWaalsContact C-N 3.32Å; G117-N119 PolarHBondContact O-N 3.31Å; N119-D123 PolarHBondContact O-N 3.34Å; N119-Y124 PolarHBondContact O-N 3.19Å; N119-I125 HydrophobicContact CB-CG1 4.15Å; N119-P131 PolarHBondContact ND2-O 3.41Å
120K96.6Very high95.5Very high162 Ų16271.6 Ų71.670%0.70433%0.334SS*.Hα-helixtrans-69.3-49.2179-173.6-178.8176.9-176.20111.7K116 G117 F118 R122 D123 I125K116-K120 PolarHBondContact O-N 3.29Å; K116-K120 VanDerWaalsContact O-N 3.07Å; G117-K120 PolarHBondContact O-N 2.89Å; G117-K120 VanDerWaalsContact O-N 3.1Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 3.16Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 2.72Å; K120-D123 PolarHBondContact O-N 2.97Å; K120-I125 HydrophobicContact CB-CD1 3.85Å; K120-I125 HydrophobicContact CG-CD1 4.1Å
121E95.7Very high95.5Very high147 Ų14768.2 Ų68.269%0.68732%0.318SS*.Hα-helixtrans-62.9-37.8-177-171.8-172.8156.300112.3G117G117-E121 WeakPolarHBondContact O-CB 3.13Å; G117-E121 PolarHBondContact O-N 2.72Å
122R94.8Very high95.4Very high111 Ų11174.6 Ų74.642%0.41935%0.346SS..THydrogen-bonded Turntrans-102.214.5-177.3-60.8-165.7179.1-1340.7114.5F118 K120 Y124F118-R122 WeakPolarHBondContact O-CB 2.93Å; F118-R122 PolarHBondContact O-N 2.99Å; F118-R122 VanDerWaalsContact O-N 3.08Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 2.72Å; R122-Y124 HydrophobicContact CB-CD2 3.67Å; R122-Y124 HydrophobicContact CB-CE2 3.64Å; R122-Y124 PolarHBondContact O-N 2.85Å
123D94.8Very high95.4Very high83 Ų8378.1 Ų78.144%0.44436%0.358SS..THydrogen-bonded Turntrans52.439177.7-171.536.3000113.6N119 K120 I125 K126N119-D123 PolarHBondContact O-N 3.34Å; K120-D123 PolarHBondContact O-N 2.97Å; D123-I125 VanDerWaalsContact C-N 3.28Å; D123-K126 WeakPolarHBondContact O-CE 3.26Å; D123-K126 WeakPolarHBondContact O-CG 3.07Å; D123-K126 WeakPolarHBondContact OD2-CD 3.44Å; D123-K126 WeakPolarHBondContact OD2-CE 3.47Å; D123-K126 IonicContact OD2-NZ 2.9Å; D123-K126 PolarHBondContact OD2-NZ 3.49Å
124Y95.7Very high95.4Very high34 Ų3472.1 Ų72.113%0.13333%0.332CS..  trans-80-12.5171.1-74.5-73.5000112.6Y18 F118 N119 R122 K126 Y127 W129 A130Y18-Y124 AromaticContact CD2-CD1 3.71Å; Y18-Y124 HydrophobicContact CD2-CD1 3.71Å; Y18-Y124 AromaticContact CD2-CD2 3.68Å; Y18-Y124 HydrophobicContact CD2-CD2 3.68Å; Y18-Y124 AromaticContact CD2-CE1 3.76Å; Y18-Y124 HydrophobicContact CD2-CE1 3.76Å; Y18-Y124 AromaticContact CD2-CE2 3.72Å; Y18-Y124 HydrophobicContact CD2-CE2 3.72Å; Y18-Y124 AromaticContact CD2-CG 3.68Å; Y18-Y124 HydrophobicContact CD2-CG 3.68Å; Y18-Y124 AromaticContact CD2-CZ 3.77Å; Y18-Y124 HydrophobicContact CE2-CD1 4.37Å; Y18-Y124 AromaticContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CE2 4.23Å; Y18-Y124 AromaticContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CG-CE1 4.49Å; F118-Y124 HydrophobicContact CD1-CD2 4.2Å; F118-Y124 HydrophobicContact CD1-CE2 4.38Å; F118-Y124 AromaticContact CE1-CD2 3.78Å; F118-Y124 HydrophobicContact CE1-CD2 3.78Å; F118-Y124 AromaticContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CZ-CE2 4.06Å; N119-Y124 PolarHBondContact O-N 3.19Å; R122-Y124 HydrophobicContact CB-CD2 3.67Å; R122-Y124 HydrophobicContact CB-CE2 3.64Å; R122-Y124 PolarHBondContact O-N 2.85Å; Y124-K126 PolarHBondContact O-N 2.79Å; Y124-K126 VanDerWaalsContact O-N 3.16Å; Y124-Y127 AromaticContact CD1-CD2 3.79Å; Y124-Y127 HydrophobicContact CD1-CD2 3.79Å; Y124-Y127 AromaticContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CE1-CE2 4.49Å; Y124-Y127 WeakPolarHBondContact O-CB 3.48Å; Y124-Y127 PolarHBondContact O-N 3.47Å; Y124-W129 AromaticContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CE1-CH2 4.05Å; Y124-A130 WeakPolarHBondContact O-CB 3.3Å
125I93.6Very high95.4Very high115 Ų11574.6 Ų74.659%0.5934%0.342SS*.THydrogen-bonded Turntrans-57-31.8-179.4-61174.9000111.9N119 K120 D123 Y127N119-I125 HydrophobicContact CB-CG1 4.15Å; K120-I125 HydrophobicContact CB-CD1 3.85Å; K120-I125 HydrophobicContact CG-CD1 4.1Å; D123-I125 VanDerWaalsContact C-N 3.28Å; I125-Y127 PolarHBondContact O-N 2.96Å
126K93.6Very high95.3Very high126 Ų12678.1 Ų78.155%0.54836%0.358SS..THydrogen-bonded Turntrans-64.8-21.2176.970.5-170.9169.7-160.20113.9D123 Y124D123-K126 WeakPolarHBondContact O-CE 3.26Å; D123-K126 WeakPolarHBondContact O-CG 3.07Å; D123-K126 WeakPolarHBondContact OD2-CD 3.44Å; D123-K126 WeakPolarHBondContact OD2-CE 3.47Å; D123-K126 IonicContact OD2-NZ 2.9Å; D123-K126 PolarHBondContact OD2-NZ 3.49Å; Y124-K126 PolarHBondContact O-N 2.79Å; Y124-K126 VanDerWaalsContact O-N 3.16Å
127Y93.9Very high95.2Very high88 Ų8873.6 Ų73.635%0.34534%0.339SS..  trans-90.5116.4-179.5-61.7-71.8000110.7Y124 I125 W129 A130Y124-Y127 AromaticContact CD1-CD2 3.79Å; Y124-Y127 HydrophobicContact CD1-CD2 3.79Å; Y124-Y127 AromaticContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CE1-CE2 4.49Å; Y124-Y127 WeakPolarHBondContact O-CB 3.48Å; Y124-Y127 PolarHBondContact O-N 3.47Å; I125-Y127 PolarHBondContact O-N 2.96Å; Y127-W129 AromaticContact CD1-CE2 3.98Å; Y127-W129 HydrophobicContact CD1-CZ2 4.06Å; Y127-W129 AromaticContact CD1-NE1 3.51Å; Y127-W129 AromaticContact CD2-CZ2 3.99Å; Y127-W129 HydrophobicContact CD2-CZ2 3.99Å; Y127-W129 AromaticContact CG-CE2 3.76Å; Y127-W129 AromaticContact CG-CZ2 3.73Å; Y127-W129 HydrophobicContact CG-CZ2 3.73Å; Y127-W129 AromaticContact CG-NE1 3.69Å; Y127-W129 PolarHBondContact O-N 3.32Å; Y127-A130 WeakPolarHBondContact O-CB 3.42Å; Y127-A130 PolarHBondContact O-N 3.35Å
128Q93Very high95.2Very high205 Ų20571.9 Ų71.996%0.95832%0.321SS*.THydrogen-bonded Turntrans-57.3-21.3176.4-66.9-178-7.200114
129W93.2Very high95Very high34 Ų3473.5 Ų73.513%0.12933%0.329CS..THydrogen-bonded Turntrans-87.4-11.417959.8-103.2000114.1K11 N14 V15 Y18 Y124 Y127 L140K11-W129 HydrophobicContact CD-CG 4.47Å; K11-W129 HydrophobicContact CG-CG 4.37Å; N14-W129 HydrophobicContact CB-CH2 4.32Å; N14-W129 HydrophobicContact CB-CZ2 3.85Å; V15-W129 HydrophobicContact CB-CE3 4.43Å; V15-W129 HydrophobicContact CB-CZ3 4.37Å; V15-W129 HydrophobicContact CG2-CD2 3.76Å; V15-W129 HydrophobicContact CG2-CE3 3.44Å; V15-W129 VanDerWaalsContact CG2-CE3 3.44Å; V15-W129 HydrophobicContact CG2-CG 4.37Å; V15-W129 HydrophobicContact CG2-CH2 4.4Å; V15-W129 HydrophobicContact CG2-CZ3 3.8Å; Y18-W129 HydrophobicContact CD2-CZ3 4.32Å; Y18-W129 HydrophobicContact CG-CH2 4.4Å; Y18-W129 AromaticContact CG-CZ3 3.98Å; Y18-W129 HydrophobicContact CG-CZ3 3.98Å; Y124-W129 AromaticContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CE1-CH2 4.05Å; Y127-W129 AromaticContact CD1-CE2 3.98Å; Y127-W129 HydrophobicContact CD1-CZ2 4.06Å; Y127-W129 AromaticContact CD1-NE1 3.51Å; Y127-W129 AromaticContact CD2-CZ2 3.99Å; Y127-W129 HydrophobicContact CD2-CZ2 3.99Å; Y127-W129 AromaticContact CG-CE2 3.76Å; Y127-W129 AromaticContact CG-CZ2 3.73Å; Y127-W129 HydrophobicContact CG-CZ2 3.73Å; Y127-W129 AromaticContact CG-NE1 3.69Å; Y127-W129 PolarHBondContact O-N 3.32Å; W129-L140 WeakPolarHBondContact O-CD1 3.44Å
130A96Very high94.9Very high8 Ų874.6 Ų74.67%0.06634%0.335CS..SBendtrans-66.3131.8-179.100000109.9Y124 Y127 K132Y124-A130 WeakPolarHBondContact O-CB 3.3Å; Y127-A130 WeakPolarHBondContact O-CB 3.42Å; Y127-A130 PolarHBondContact O-N 3.35Å; A130-K132 PolarHBondContact O-N 2.96Å
131P95.9Very high94.8Very high1 Ų168 Ų681%0.00631%0.306CS..  trans-72.3132.6-175.230-33000110.4Y18 I115 N119 E136 F137 L140Y18-P131 HydrophobicContact CD1-CG 4.48Å; Y18-P131 HydrophobicContact CE1-CG 3.47Å; Y18-P131 VanDerWaalsContact CE1-CG 3.47Å; Y18-P131 WeakPolarHBondContact OH-CG 3.04Å; I115-P131 HydrophobicContact CG2-CG 4.45Å; I115-P131 WeakPolarHBondContact CG2-O 3.06Å; N119-P131 PolarHBondContact ND2-O 3.41Å; P131-E136 WeakPolarHBondContact CA-OE2 3.39Å; P131-E136 HydrophobicContact CB-CB 3.59Å; P131-F137 HydrophobicContact CB-CB 3.84Å; P131-F137 HydrophobicContact CG-CB 3.87Å; P131-F137 HydrophobicContact CG-CD2 4.36Å; P131-L140 HydrophobicContact CB-CD1 3.95Å; P131-L140 HydrophobicContact CG-CD1 3.87Å
132K94.7Very high94.7Very high134 Ų13461 Ų6158%0.58327%0.274SS*.SBendtrans-83.4-26.2177.2-63.6177.6-177.5177.20113K116 A130 E136K116-K132 WeakPolarHBondContact CG-O 3.4Å; A130-K132 PolarHBondContact O-N 2.96Å; K132-E136 PolarHBondContact N-OE2 3.38Å
133Y96Very high94.6Very high97 Ų9756.7 Ų56.738%0.3826%0.259SS..SBendtrans-141.6163.3-174.4-57.5-79.4000110.5D112 K116 K135 E136 F137D112-Y133 HydrophobicContact CB-CD1 4.12Å; K116-Y133 PolarHBondContact NZ-OH 3.34Å; Y133-K135 PolarHBondContact O-N 2.99Å; Y133-E136 PolarHBondContact O-N 3.25Å; Y133-E136 VanDerWaalsContact O-N 3.11Å; Y133-F137 PolarHBondContact O-N 3.42Å
134S95.8Very high94.5Very high0 Ų053 Ų530%024%0.24CC..Hα-helixtrans-54.6-36.8178.154.60000112.9Y45 I108 D112 F137 F138Y45-S134 PolarHBondContact OH-OG 2.94Å; I108-S134 WeakPolarHBondContact CG2-OG 3.23Å; D112-S134 WeakPolarHBondContact OD1-CA 3.35Å; D112-S134 WeakPolarHBondContact OD1-CB 3.21Å; D112-S134 PolarHBondContact OD1-N 3.29Å; D112-S134 PolarHBondContact OD1-OG 3.48Å; S134-F137 PolarHBondContact O-N 2.87Å; S134-F138 WeakPolarHBondContact O-CD2 3.2Å; S134-F138 PolarHBondContact O-N 2.91Å
135K95.4Very high94.4Very high74 Ų7452.6 Ų52.632%0.32224%0.239SC..Hα-helixtrans-53.3-56.1173.3-171.2171-174.8171.70111.5Y45 Y133 F137 F138 I139 F247Y45-K135 HydrophobicContact CD1-CD 4.16Å; Y45-K135 HydrophobicContact CE1-CB 3.88Å; Y45-K135 HydrophobicContact CE1-CD 4.09Å; Y45-K135 HydrophobicContact CE1-CG 4.26Å; Y45-K135 HydrophobicContact CE2-CB 4.01Å; Y45-K135 PolarHBondContact OH-N 3.37Å; Y133-K135 PolarHBondContact O-N 2.99Å; K135-F137 VanDerWaalsContact C-N 3.33Å; K135-F137 PolarHBondContact O-N 3.19Å; K135-F138 PolarHBondContact O-N 2.86Å; K135-I139 HydrophobicContact CG-CD1 4.24Å; K135-I139 VanDerWaalsContact O-CG1 3.3Å; K135-I139 WeakPolarHBondContact O-CG1 3.25Å; K135-I139 PolarHBondContact O-N 2.99Å; K135-F247 WeakPolarHBondContact CE-OXT 3.34Å; K135-F247 HydrophobicContact CG-CB 4.13Å; K135-F247 HydrophobicContact CG-CD1 3.72Å; K135-F247 HydrophobicContact CG-CE1 4.46Å; K135-F247 HydrophobicContact CG-CG 4.15Å; K135-F247 PolarHBondContact NZ-OXT 3.19Å
136E94.9Very high94.4Very high74 Ų7450.6 Ų50.635%0.34623%0.225SC..Hα-helixtrans-64-40.4-179.9-66.1172.7-156.500111.2P131 K132 Y133 F138 I139 L140P131-E136 WeakPolarHBondContact CA-OE2 3.39Å; P131-E136 HydrophobicContact CB-CB 3.59Å; K132-E136 PolarHBondContact N-OE2 3.38Å; Y133-E136 PolarHBondContact O-N 3.25Å; Y133-E136 VanDerWaalsContact O-N 3.11Å; E136-F138 PolarHBondContact O-N 3.42Å; E136-I139 PolarHBondContact O-N 3.47Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 2.93Å
137F96Very high94.3Very high0 Ų044.7 Ų44.70%020%0.199CC..Hα-helixtrans-59.8-47.3177.8165.2-111.4000111.8Y18 I19 L22 L26 L34 I115 P131 Y133 S134 K135 L140 F141Y18-F137 HydrophobicContact CE1-CD2 4.14Å; I19-F137 HydrophobicContact CG1-CE2 4.19Å; L22-F137 HydrophobicContact CD2-CD2 3.56Å; L22-F137 HydrophobicContact CD2-CE2 3.46Å; L22-F137 VanDerWaalsContact CD2-CE2 3.46Å; L22-F137 HydrophobicContact CD2-CG 4.2Å; L22-F137 HydrophobicContact CD2-CZ 4.01Å; L22-F137 HydrophobicContact CG-CE2 4.21Å; L22-F137 HydrophobicContact CG-CZ 4.46Å; L26-F137 HydrophobicContact CD1-CE1 4.3Å; L26-F137 HydrophobicContact CD1-CZ 4.34Å; L34-F137 HydrophobicContact CD1-CE1 3.59Å; L34-F137 HydrophobicContact CD1-CZ 3.68Å; I115-F137 HydrophobicContact CD1-CB 3.76Å; I115-F137 HydrophobicContact CD1-CD1 4.24Å; I115-F137 HydrophobicContact CD1-CG 4.09Å; P131-F137 HydrophobicContact CB-CB 3.84Å; P131-F137 HydrophobicContact CG-CB 3.87Å; P131-F137 HydrophobicContact CG-CD2 4.36Å; Y133-F137 PolarHBondContact O-N 3.42Å; S134-F137 PolarHBondContact O-N 2.87Å; K135-F137 VanDerWaalsContact C-N 3.33Å; K135-F137 PolarHBondContact O-N 3.19Å; F137-L140 WeakPolarHBondContact O-CB 3.21Å; F137-L140 PolarHBondContact O-N 2.85Å; F137-F141 WeakPolarHBondContact O-CB 3.28Å; F137-F141 PolarHBondContact O-N 2.99Å
138F95.2Very high94.4Very high0 Ų043.9 Ų43.90%020%0.198CC..Hα-helixtrans-71.7-31.2179.6-72.5-55.8000113L34 L37 L38 A41 L111 S134 K135 E136 F141 M142 F247L34-F138 HydrophobicContact CD1-CE1 3.86Å; L37-F138 HydrophobicContact CB-CE1 4.43Å; L37-F138 HydrophobicContact CB-CZ 3.81Å; L38-F138 HydrophobicContact CB-CD1 3.9Å; L38-F138 HydrophobicContact CB-CE1 3.75Å; L38-F138 HydrophobicContact CB-CZ 4.42Å; L38-F138 HydrophobicContact CD1-CB 3.68Å; L38-F138 HydrophobicContact CD1-CD1 3.46Å; L38-F138 VanDerWaalsContact CD1-CD1 3.46Å; L38-F138 HydrophobicContact CD1-CD2 4.43Å; L38-F138 HydrophobicContact CD1-CE1 4.19Å; L38-F138 HydrophobicContact CD1-CG 3.61Å; L38-F138 HydrophobicContact CG-CD1 4.25Å; A41-F138 HydrophobicContact CB-CD2 3.46Å; A41-F138 VanDerWaalsContact CB-CD2 3.46Å; A41-F138 HydrophobicContact CB-CE2 3.39Å; A41-F138 HydrophobicContact CB-CG 4.46Å; A41-F138 HydrophobicContact CB-CZ 4.33Å; L111-F138 HydrophobicContact CD2-CE2 3.6Å; L111-F138 HydrophobicContact CD2-CZ 3.74Å; S134-F138 WeakPolarHBondContact O-CD2 3.2Å; S134-F138 PolarHBondContact O-N 2.91Å; K135-F138 PolarHBondContact O-N 2.86Å; E136-F138 PolarHBondContact O-N 3.42Å; F138-F141 HydrophobicContact CD1-CD1 4.32Å; F138-F141 PolarHBondContact O-N 2.75Å; F138-M142 WeakPolarHBondContact O-CB 3.17Å; F138-M142 WeakPolarHBondContact O-CG 3.44Å; F138-M142 PolarHBondContact O-N 2.78Å; F138-F247 HydrophobicContact CB-CE1 4.12Å; F138-F247 HydrophobicContact CB-CE2 3.56Å; F138-F247 HydrophobicContact CB-CZ 3.18Å; F138-F247 HydrophobicContact CD2-CZ 4.26Å; F138-F247 HydrophobicContact CG-CZ 4.05Å
139I93.6Very high94.4Very high40 Ų4037.6 Ų37.621%0.20517%0.17CC..Hα-helixtrans-59-48.8168.2-69.4167.3000109.9K135 E136 F141 M142 N143 F247K135-I139 HydrophobicContact CG-CD1 4.24Å; K135-I139 VanDerWaalsContact O-CG1 3.3Å; K135-I139 WeakPolarHBondContact O-CG1 3.25Å; K135-I139 PolarHBondContact O-N 2.99Å; E136-I139 PolarHBondContact O-N 3.47Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.85Å; I139-M142 PolarHBondContact O-N 2.68Å; I139-N143 WeakPolarHBondContact CG2-ND2 3.39Å; I139-N143 WeakPolarHBondContact O-CB 3.29Å; I139-N143 PolarHBondContact O-N 2.85Å; I139-N143 PolarHBondContact O-ND2 2.93Å; I139-F247 HydrophobicContact CB-CD2 4.45Å; I139-F247 HydrophobicContact CD1-CB 3.75Å; I139-F247 HydrophobicContact CD1-CD2 4.29Å; I139-F247 HydrophobicContact CD1-CG 4.18Å; I139-F247 HydrophobicContact CG1-CB 3.75Å; I139-F247 HydrophobicContact CG1-CD2 3.35Å; I139-F247 HydrophobicContact CG1-CE2 4.11Å; I139-F247 HydrophobicContact CG1-CG 3.73Å
140L94.2Very high94.5Very high34 Ų3438.1 Ų38.118%0.17817%0.174CC..Hα-helixtrans-61-45177.5-69.9174.7000111.2V15 I19 W129 P131 E136 F137 M142 N143 I144V15-L140 HydrophobicContact CG1-CB 4.16Å; V15-L140 HydrophobicContact CG1-CD1 4.43Å; V15-L140 HydrophobicContact CG1-CD2 4.2Å; I19-L140 HydrophobicContact CD1-CB 4.21Å; W129-L140 WeakPolarHBondContact O-CD1 3.44Å; P131-L140 HydrophobicContact CB-CD1 3.95Å; P131-L140 HydrophobicContact CG-CD1 3.87Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 2.93Å; F137-L140 WeakPolarHBondContact O-CB 3.21Å; F137-L140 PolarHBondContact O-N 2.85Å; L140-M142 PolarHBondContact O-N 3.19Å; L140-N143 WeakPolarHBondContact O-CB 3.26Å; L140-N143 PolarHBondContact O-N 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.46Å; L140-I144 PolarHBondContact O-N 3.11Å
141F94.4Very high94.5Very high22 Ų2237.7 Ų37.710%0.09617%0.171CC..Hα-helixtrans-57.9-46.2178.4179.9-125.1000113.4I19 L34 L38 Y62 F137 F138 I139 I144 M145I19-F141 HydrophobicContact CD1-CB 3.93Å; I19-F141 HydrophobicContact CD1-CD2 4.22Å; I19-F141 HydrophobicContact CG2-CD2 3.67Å; I19-F141 HydrophobicContact CG2-CE2 4.19Å; L34-F141 HydrophobicContact CD2-CD1 4.36Å; L34-F141 HydrophobicContact CD2-CD2 4.09Å; L34-F141 HydrophobicContact CD2-CE1 3.83Å; L34-F141 HydrophobicContact CD2-CE2 3.53Å; L34-F141 HydrophobicContact CD2-CG 4.46Å; L34-F141 HydrophobicContact CD2-CZ 3.37Å; L34-F141 HydrophobicContact CG-CE1 4.04Å; L34-F141 HydrophobicContact CG-CZ 4.03Å; L38-F141 HydrophobicContact CD2-CD1 4.28Å; L38-F141 HydrophobicContact CD2-CE1 4.19Å; Y62-F141 WeakPolarHBondContact OH-CE1 3.31Å; Y62-F141 WeakPolarHBondContact OH-CZ 3.49Å; F137-F141 WeakPolarHBondContact O-CB 3.28Å; F137-F141 PolarHBondContact O-N 2.99Å; F138-F141 HydrophobicContact CD1-CD1 4.32Å; F138-F141 PolarHBondContact O-N 2.75Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.85Å; F141-I144 PolarHBondContact O-N 3.41Å; F141-M145 HydrophobicContact CD1-SD 4.17Å; F141-M145 HydrophobicContact CE1-SD 3.67Å; F141-M145 HydrophobicContact CE2-CG 4.27Å; F141-M145 HydrophobicContact CE2-SD 4.21Å; F141-M145 HydrophobicContact CZ-CG 4.34Å; F141-M145 HydrophobicContact CZ-SD 3.7Å; F141-M145 WeakPolarHBondContact O-CG 3.27Å; F141-M145 PolarHBondContact O-N 3.41Å
142M93.2Very high94.5Very high0 Ų042.8 Ų42.80%019%0.193CC..Hα-helixtrans-66.6-37.9177.5-70.7-76.3-74.900111.7L38 D59 L61 F138 I139 L140 M145 Y146 F245 F246L38-M142 HydrophobicContact CD1-CG 4.37Å; L38-M142 HydrophobicContact CD2-CG 4.44Å; L38-M142 HydrophobicContact CD2-SD 3.78Å; D59-M142 VanDerWaalsContact O-CE 3.32Å; D59-M142 WeakPolarHBondContact O-CE 3.47Å; L61-M142 HydrophobicContact CB-CE 3.96Å; L61-M142 HydrophobicContact CB-SD 4.21Å; L61-M142 HydrophobicContact CD1-CE 3.91Å; L61-M142 HydrophobicContact CD1-SD 4.33Å; L61-M142 HydrophobicContact CG-CE 3.55Å; L61-M142 HydrophobicContact CG-SD 4.3Å; F138-M142 WeakPolarHBondContact O-CB 3.17Å; F138-M142 WeakPolarHBondContact O-CG 3.44Å; F138-M142 PolarHBondContact O-N 2.78Å; I139-M142 PolarHBondContact O-N 2.68Å; L140-M142 PolarHBondContact O-N 3.19Å; M142-M145 PolarHBondContact O-N 3.26Å; M142-M145 HydrophobicContact SD-SD 4.36Å; M142-Y146 WeakPolarHBondContact O-CB 3.48Å; M142-Y146 PolarHBondContact O-N 3.2Å; M142-F245 HydrophobicContact CB-CD1 4.29Å; M142-F245 HydrophobicContact CB-CD2 3.42Å; M142-F245 VanDerWaalsContact CB-CD2 3.42Å; M142-F245 HydrophobicContact CB-CE1 4.25Å; M142-F245 HydrophobicContact CB-CE2 3.34Å; M142-F245 HydrophobicContact CB-CG 3.91Å; M142-F245 HydrophobicContact CB-CZ 3.78Å; M142-F245 HydrophobicContact CE-CD1 3.87Å; M142-F245 HydrophobicContact CE-CE1 4.26Å; M142-F245 HydrophobicContact CE-CG 4.16Å; M142-F245 HydrophobicContact CG-CD2 4.41Å; M142-F246 HydrophobicContact CE-CE1 4.14Å
143N92.9Very high94.5Very high21 Ų2144.6 Ų44.611%0.11220%0.197CC..Hα-helixtrans-63.7-39.8173.1-81-68000111.8I139 L140 S147 R243 F245I139-N143 WeakPolarHBondContact CG2-ND2 3.39Å; I139-N143 WeakPolarHBondContact O-CB 3.29Å; I139-N143 PolarHBondContact O-N 2.85Å; I139-N143 PolarHBondContact O-ND2 2.93Å; L140-N143 WeakPolarHBondContact O-CB 3.26Å; L140-N143 PolarHBondContact O-N 3.31Å; N143-S147 WeakPolarHBondContact O-CB 3.08Å; N143-S147 PolarHBondContact O-N 3.45Å; N143-S147 PolarHBondContact O-OG 3.28Å; N143-R243 PolarHBondContact ND2-O 3.36Å; N143-R243 WeakPolarHBondContact OD1-CB 3.06Å; N143-R243 PolarHBondContact OD1-N 2.95Å; N143-F245 HydrophobicContact CB-CE2 4.31Å
144I94.1Very high94.5Very high7 Ų746.3 Ų46.34%0.03620%0.203CC..Hα-helixtrans-63.1-45.8173.8-68.7-54.2000110.9F12 V15 E16 I19 L140 F141 S147 K148F12-I144 HydrophobicContact CD2-CD1 3.29Å; F12-I144 HydrophobicContact CE2-CD1 3.26Å; F12-I144 HydrophobicContact CE2-CG1 4.47Å; V15-I144 HydrophobicContact CB-CD1 4.13Å; V15-I144 HydrophobicContact CG1-CD1 3.77Å; V15-I144 HydrophobicContact CG1-CG1 3.86Å; E16-I144 HydrophobicContact CB-CD1 4.19Å; E16-I144 HydrophobicContact CB-CG2 4.44Å; E16-I144 HydrophobicContact CG-CG2 3.87Å; I19-I144 HydrophobicContact CD1-CB 4.22Å; I19-I144 HydrophobicContact CD1-CG1 3.64Å; L140-I144 WeakPolarHBondContact O-CG1 3.46Å; L140-I144 PolarHBondContact O-N 3.11Å; F141-I144 PolarHBondContact O-N 3.41Å; I144-S147 PolarHBondContact O-N 2.93Å; I144-K148 HydrophobicContact CG2-CD 3.97Å; I144-K148 HydrophobicContact CG2-CG 4.35Å; I144-K148 WeakPolarHBondContact O-CB 3.49Å; I144-K148 VanDerWaalsContact O-CG 3.3Å; I144-K148 WeakPolarHBondContact O-CG 3.45Å; I144-K148 PolarHBondContact O-N 2.65Å
145M92.8Very high94.5Very high25 Ų2547.8 Ų47.812%0.12321%0.209CC..Hα-helixtrans-58.4-50.9177.8-74.8178.250.100111.5L61 Y62 F141 M142 S147 K148 D149L61-M145 HydrophobicContact CB-CE 3.92Å; L61-M145 WeakPolarHBondContact O-CE 3.38Å; Y62-M145 HydrophobicContact CD1-CE 3.45Å; Y62-M145 VanDerWaalsContact CD1-CE 3.45Å; Y62-M145 HydrophobicContact CD1-SD 4.5Å; Y62-M145 HydrophobicContact CE1-CE 3.12Å; Y62-M145 HydrophobicContact CE1-SD 3.63Å; Y62-M145 HydrophobicContact CE2-CE 4.42Å; Y62-M145 HydrophobicContact CG-CE 4.18Å; Y62-M145 PolarHBondContact OH-SD 3.46Å; F141-M145 HydrophobicContact CD1-SD 4.17Å; F141-M145 HydrophobicContact CE1-SD 3.67Å; F141-M145 HydrophobicContact CE2-CG 4.27Å; F141-M145 HydrophobicContact CE2-SD 4.21Å; F141-M145 HydrophobicContact CZ-CG 4.34Å; F141-M145 HydrophobicContact CZ-SD 3.7Å; F141-M145 WeakPolarHBondContact O-CG 3.27Å; F141-M145 PolarHBondContact O-N 3.41Å; M142-M145 PolarHBondContact O-N 3.26Å; M142-M145 HydrophobicContact SD-SD 4.36Å; M145-S147 VanDerWaalsContact C-N 3.3Å; M145-S147 PolarHBondContact O-N 3.08Å; M145-K148 PolarHBondContact O-N 3.1Å; M145-D149 PolarHBondContact O-N 3.07Å
146Y92.7Very high94.5Very high72 Ų7249.5 Ų49.528%0.28222%0.222SC..Hα-helixtrans-56.2-45.3176.6179.8-91.5000112M142 K148 D149 F150 I239 R243M142-Y146 WeakPolarHBondContact O-CB 3.48Å; M142-Y146 PolarHBondContact O-N 3.2Å; Y146-K148 VanDerWaalsContact C-N 3.35Å; Y146-K148 PolarHBondContact O-N 3.11Å; Y146-D149 PolarHBondContact O-N 3.36Å; Y146-F150 PolarHBondContact O-N 3.03Å; Y146-I239 HydrophobicContact CD1-CD1 4.35Å; Y146-I239 HydrophobicContact CE1-CD1 4.23Å; Y146-R243 VanDerWaalsContact CE1-NE 3.31Å; Y146-R243 VanDerWaalsContact CZ-CZ 3.44Å; Y146-R243 PolarHBondContact OH-NH2 3.32Å
147S93.5Very high94.6Very high3 Ų346 Ų462%0.02121%0.206CC..Hα-helixtrans-67.2-35.7-178.5-56.70000112.4F12 N143 I144 M145 F150 L151F12-S147 VanDerWaalsContact CE2-CB 3.45Å; F12-S147 VanDerWaalsContact CZ-CB 3.45Å; N143-S147 WeakPolarHBondContact O-CB 3.08Å; N143-S147 PolarHBondContact O-N 3.45Å; N143-S147 PolarHBondContact O-OG 3.28Å; I144-S147 PolarHBondContact O-N 2.93Å; M145-S147 VanDerWaalsContact C-N 3.3Å; M145-S147 PolarHBondContact O-N 3.08Å; S147-F150 PolarHBondContact O-N 2.77Å; S147-L151 WeakPolarHBondContact O-CG 3.17Å; S147-L151 PolarHBondContact O-N 3.07Å
148K94.6Very high94.6Very high71 Ų7148.9 Ų48.931%0.30922%0.223SC..Hα-helixtrans-65-41.8173.9-75.1179174.5175.60111.9E16 I144 M145 Y146 L151 K152 F159E16-K148 WeakPolarHBondContact OE1-CE 3.08Å; E16-K148 IonicContact OE1-NZ 3.94Å; E16-K148 PolarHBondContact OE1-NZ 3.35Å; I144-K148 HydrophobicContact CG2-CD 3.97Å; I144-K148 HydrophobicContact CG2-CG 4.35Å; I144-K148 WeakPolarHBondContact O-CB 3.49Å; I144-K148 VanDerWaalsContact O-CG 3.3Å; I144-K148 WeakPolarHBondContact O-CG 3.45Å; I144-K148 PolarHBondContact O-N 2.65Å; M145-K148 PolarHBondContact O-N 3.1Å; Y146-K148 VanDerWaalsContact C-N 3.35Å; Y146-K148 PolarHBondContact O-N 3.11Å; K148-L151 PolarHBondContact O-N 3.21Å; K148-K152 PolarHBondContact O-N 3.3Å; K148-K152 VanDerWaalsContact O-N 3.1Å; K148-F159 HydrophobicContact CD-CB 4.39Å; K148-F159 HydrophobicContact CG-CB 4.09Å
149D93.5Very high94.7Very high72 Ų7249.6 Ų49.639%0.38523%0.226SC..Hα-helixtrans-65.1-41.9175.3-77.8-19000111.1M145 Y146 L151 K152 Y153M145-D149 PolarHBondContact O-N 3.07Å; Y146-D149 PolarHBondContact O-N 3.36Å; D149-L151 PolarHBondContact O-N 3.24Å; D149-K152 WeakPolarHBondContact O-CB 3.33Å; D149-K152 PolarHBondContact O-N 2.99Å; D149-Y153 HydrophobicContact CB-CD2 4.2Å; D149-Y153 HydrophobicContact CB-CE2 4.18Å; D149-Y153 WeakPolarHBondContact O-CD2 3.41Å; D149-Y153 PolarHBondContact O-N 3.39Å
150F94.4Very high94.8Very high45 Ų4548.4 Ų48.420%0.19722%0.221CC..Hα-helixtrans-55.5-49.7173.3175-97.2000112Y146 S147 K152 Y153 R154 F155 I239Y146-F150 PolarHBondContact O-N 3.03Å; S147-F150 PolarHBondContact O-N 2.77Å; F150-K152 VanDerWaalsContact C-N 3.29Å; F150-K152 PolarHBondContact O-N 2.89Å; F150-Y153 PolarHBondContact O-N 3.46Å; F150-R154 HydrophobicContact CD2-CB 4.29Å; F150-R154 HydrophobicContact CE1-CB 4.34Å; F150-R154 HydrophobicContact CE1-CG 4.3Å; F150-R154 HydrophobicContact CE2-CB 4.05Å; F150-R154 HydrophobicContact CE2-CG 4.08Å; F150-R154 HydrophobicContact CZ-CB 4.09Å; F150-R154 HydrophobicContact CZ-CG 3.81Å; F150-R154 WeakPolarHBondContact O-CB 3.23Å; F150-R154 PolarHBondContact O-N 3.38Å; F150-F155 AromaticContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CZ 4.47Å; F150-F155 HydrophobicContact CZ-CE2 4.28Å; F150-I239 HydrophobicContact CB-CD1 3.6Å; F150-I239 HydrophobicContact CD1-CD1 3.51Å; F150-I239 HydrophobicContact CD1-CG1 3.84Å; F150-I239 HydrophobicContact CD1-CG2 4.44Å; F150-I239 HydrophobicContact CD2-CD1 4.34Å; F150-I239 HydrophobicContact CD2-CG2 4.03Å; F150-I239 HydrophobicContact CE1-CD1 4.24Å; F150-I239 HydrophobicContact CE1-CG1 4.06Å; F150-I239 HydrophobicContact CE1-CG2 4.2Å; F150-I239 HydrophobicContact CE2-CG2 3.77Å; F150-I239 HydrophobicContact CG-CD1 3.56Å; F150-I239 HydrophobicContact CG-CG1 4.16Å; F150-I239 HydrophobicContact CG-CG2 4.35Å; F150-I239 HydrophobicContact CZ-CG2 3.86Å
151L96.1Very high95Very high0 Ų046.8 Ų46.80%021%0.212CC..Hα-helixtrans-57.4-43.2177.4-70.4173000112.4F12 S147 K148 D149 F155 N156 L157 L162 T236F12-L151 HydrophobicContact CE1-CD1 4.05Å; F12-L151 HydrophobicContact CZ-CD1 4.44Å; S147-L151 WeakPolarHBondContact O-CG 3.17Å; S147-L151 PolarHBondContact O-N 3.07Å; K148-L151 PolarHBondContact O-N 3.21Å; D149-L151 PolarHBondContact O-N 3.24Å; L151-F155 HydrophobicContact CD2-CD2 4.14Å; L151-F155 PolarHBondContact O-N 2.89Å; L151-F155 VanDerWaalsContact O-N 3.08Å; L151-N156 PolarHBondContact O-N 3.28Å; L151-L157 CarbonylContact C-O 3.51Å; L151-L157 PolarHBondContact O-N 3.29Å; L151-L157 VanDerWaalsContact O-N 3.15Å; L151-L162 HydrophobicContact CD1-CB 4.14Å; L151-L162 HydrophobicContact CD1-CD2 3.92Å; L151-L162 HydrophobicContact CD2-CD1 4.16Å; L151-L162 HydrophobicContact CD2-CD2 4.28Å; L151-T236 HydrophobicContact CD2-CG2 4.17Å
152K95.6Very high95.1Very high108 Ų10845.8 Ų45.847%0.4721%0.207SC..Hα-helixtrans-63.7-49.9179.5180-173.4172.9-1680111.3K148 D149 F150 N156 L157K148-K152 PolarHBondContact O-N 3.3Å; K148-K152 VanDerWaalsContact O-N 3.1Å; D149-K152 WeakPolarHBondContact O-CB 3.33Å; D149-K152 PolarHBondContact O-N 2.99Å; F150-K152 VanDerWaalsContact C-N 3.29Å; F150-K152 PolarHBondContact O-N 2.89Å; K152-N156 WeakPolarHBondContact O-CA 3.47Å; K152-N156 PolarHBondContact O-N 3.16Å; K152-L157 WeakPolarHBondContact CA-O 3.35Å; K152-L157 PolarHBondContact N-O 2.93Å
153Y95.4Very high95.2Very high172 Ų17245.9 Ų45.968%0.67521%0.208SC*.Hα-helixtrans-80.3-33.7-174-69-66.4000113D149 F150D149-Y153 HydrophobicContact CB-CD2 4.2Å; D149-Y153 HydrophobicContact CB-CE2 4.18Å; D149-Y153 WeakPolarHBondContact O-CD2 3.41Å; D149-Y153 PolarHBondContact O-N 3.39Å; F150-Y153 PolarHBondContact O-N 3.46Å
154R95.8Very high95.4Very high132 Ų13244.9 Ų44.950%0.49820%0.203SC..Hα-helixtrans-81.4-38.5-177.8-17963.4179.693.66.4113.4F150 D235F150-R154 HydrophobicContact CD2-CB 4.29Å; F150-R154 HydrophobicContact CE1-CB 4.34Å; F150-R154 HydrophobicContact CE1-CG 4.3Å; F150-R154 HydrophobicContact CE2-CB 4.05Å; F150-R154 HydrophobicContact CE2-CG 4.08Å; F150-R154 HydrophobicContact CZ-CB 4.09Å; F150-R154 HydrophobicContact CZ-CG 3.81Å; F150-R154 WeakPolarHBondContact O-CB 3.23Å; F150-R154 PolarHBondContact O-N 3.38Å; R154-D235 IonicContact CZ-OD2 3.9Å; R154-D235 IonicContact NE-OD2 2.78Å; R154-D235 IonicContact NH2-OD2 2.75Å; R154-D235 PolarHBondContact NH2-OD2 3.35Å
155F95.3Very high95.5Very high31 Ų3144.6 Ų44.614%0.13620%0.201CC..Hα-helixtrans-124-4.8-172.2-55.7-64000113.9F150 L151 L157 I232 D235F150-F155 AromaticContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CZ 4.47Å; F150-F155 HydrophobicContact CZ-CE2 4.28Å; L151-F155 HydrophobicContact CD2-CD2 4.14Å; L151-F155 PolarHBondContact O-N 2.89Å; L151-F155 VanDerWaalsContact O-N 3.08Å; F155-L157 HydrophobicContact CB-CB 4.19Å; F155-L157 HydrophobicContact CB-CD1 3.85Å; F155-L157 HydrophobicContact CB-CG 3.75Å; F155-L157 PolarHBondContact O-N 2.62Å; F155-I232 HydrophobicContact CD1-CG1 3.99Å; F155-I232 HydrophobicContact CD2-CG2 4.04Å; F155-I232 HydrophobicContact CE1-CG1 4.08Å; F155-I232 HydrophobicContact CE2-CG2 4.05Å; F155-I232 HydrophobicContact CG-CG1 4.36Å; F155-I232 HydrophobicContact CG-CG2 4.36Å; F155-I232 HydrophobicContact CZ-CG2 4.4Å; F155-D235 HydrophobicContact CE2-CB 4.37Å; F155-D235 HydrophobicContact CZ-CB 3.63Å
156N96.3Very high95.7Very high111 Ų11145 Ų4559%0.59420%0.202SC*.SBendtrans55.238.5-169.7-172.424.2000111.5L151 K152 K202L151-N156 PolarHBondContact O-N 3.28Å; K152-N156 WeakPolarHBondContact O-CA 3.47Å; K152-N156 PolarHBondContact O-N 3.16Å; N156-K202 PolarHBondContact ND2-NZ 3.24Å; N156-K202 VanDerWaalsContact ND2-NZ 3.19Å; N156-K202 PolarHBondContact O-NZ 2.97Å
157L97Very high95.8Very high1 Ų142.2 Ų42.21%0.00519%0.192CC..  trans-113.7144.9-179.7-66.1-178.4000111.1L151 K152 F155 D161 L165 L199 K202 M204 I232L151-L157 CarbonylContact C-O 3.51Å; L151-L157 PolarHBondContact O-N 3.29Å; L151-L157 VanDerWaalsContact O-N 3.15Å; K152-L157 WeakPolarHBondContact CA-O 3.35Å; K152-L157 PolarHBondContact N-O 2.93Å; F155-L157 HydrophobicContact CB-CB 4.19Å; F155-L157 HydrophobicContact CB-CD1 3.85Å; F155-L157 HydrophobicContact CB-CG 3.75Å; F155-L157 PolarHBondContact O-N 2.62Å; L157-D161 HydrophobicContact CB-CB 4.13Å; L157-D161 HydrophobicContact CD2-CB 3.94Å; L157-D161 HydrophobicContact CG-CB 4.48Å; L157-L165 HydrophobicContact CD1-CD1 4.15Å; L157-L199 HydrophobicContact CD2-CD2 3.98Å; L157-K202 HydrophobicContact CD2-CD 4.31Å; L157-M204 HydrophobicContact CD1-CE 4.29Å; L157-M204 HydrophobicContact CD1-SD 4.15Å; L157-M204 HydrophobicContact CD2-CE 4.16Å; L157-M204 HydrophobicContact CD2-SD 3.79Å; L157-I232 HydrophobicContact CD1-CD1 3.95Å; L157-I232 HydrophobicContact CD1-CG2 4.27Å
158T96.7Very high95.8Very high60 Ų6042.1 Ų42.137%0.36819%0.192SC..  trans-85.6164167.567.40000110.2L160 D161 L162 R198T158-L160 VanDerWaalsContact C-N 3.25Å; T158-L160 PolarHBondContact O-N 3.43Å; T158-D161 WeakPolarHBondContact CB-OD2 3.47Å; T158-D161 PolarHBondContact N-OD2 3.25Å; T158-D161 WeakPolarHBondContact O-CB 3.48Å; T158-D161 PolarHBondContact O-N 2.6Å; T158-D161 VanDerWaalsContact O-N 3.12Å; T158-D161 PolarHBondContact OG1-N 2.96Å; T158-D161 PolarHBondContact OG1-OD2 3.14Å; T158-L162 PolarHBondContact O-N 2.6Å; T158-L162 VanDerWaalsContact O-N 3.17Å; T158-R198 PolarHBondContact OG1-NH2 2.76Å; T158-R198 VanDerWaalsContact OG1-NH2 3.1Å
159F96Very high95.8Very high14 Ų1439 Ų396%0.06118%0.179CC..Hα-helixtrans-62.1-33.3173.3176.5-91000113.1F12 I13 E16 K148 D161 L162 S163 F187F12-F159 HydrophobicContact CD1-CD2 4.4Å; F12-F159 AromaticContact CD1-CE2 3.99Å; F12-F159 HydrophobicContact CD1-CE2 3.99Å; F12-F159 AromaticContact CE1-CD2 3.61Å; F12-F159 HydrophobicContact CE1-CD2 3.61Å; F12-F159 AromaticContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE2-CD2 4.4Å; F12-F159 HydrophobicContact CE2-CE2 4.24Å; F12-F159 HydrophobicContact CG-CE2 4.42Å; F12-F159 AromaticContact CZ-CD2 3.61Å; F12-F159 HydrophobicContact CZ-CD2 3.61Å; F12-F159 AromaticContact CZ-CE2 3.78Å; F12-F159 HydrophobicContact CZ-CE2 3.78Å; I13-F159 HydrophobicContact CB-CZ 4.37Å; I13-F159 HydrophobicContact CG1-CE2 4.38Å; I13-F159 HydrophobicContact CG1-CZ 4.17Å; I13-F159 HydrophobicContact CG2-CZ 4.49Å; E16-F159 HydrophobicContact CB-CD2 4.42Å; E16-F159 HydrophobicContact CB-CE1 3.77Å; E16-F159 HydrophobicContact CB-CE2 3.57Å; E16-F159 HydrophobicContact CB-CZ 3.2Å; E16-F159 HydrophobicContact CG-CD1 3.87Å; E16-F159 HydrophobicContact CG-CD2 4.05Å; E16-F159 HydrophobicContact CG-CE1 3.5Å; E16-F159 VanDerWaalsContact CG-CE1 3.5Å; E16-F159 HydrophobicContact CG-CE2 3.68Å; E16-F159 HydrophobicContact CG-CG 4.14Å; E16-F159 HydrophobicContact CG-CZ 3.4Å; E16-F159 WeakPolarHBondContact OE2-CE1 3.34Å; K148-F159 HydrophobicContact CD-CB 4.39Å; K148-F159 HydrophobicContact CG-CB 4.09Å; F159-D161 VanDerWaalsContact C-N 3.33Å; F159-L162 PolarHBondContact O-N 3.49Å; F159-S163 WeakPolarHBondContact CE1-OG 3.23Å; F159-S163 PolarHBondContact O-N 3.19Å; F159-S163 PolarHBondContact O-OG 3.5Å; F159-F187 HydrophobicContact CD1-CE2 4.2Å; F159-F187 AromaticContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CE1-CE2 4.19Å; F159-F187 HydrophobicContact CE1-CZ 4.19Å
160L96.6Very high95.7Very high16 Ų1638.4 Ų38.48%0.08418%0.18CC..Hα-helixtrans-62.8-41.3172.7170.259.4000111.2T158 L162 S163 I164 F187 Q191 I192 S195T158-L160 VanDerWaalsContact C-N 3.25Å; T158-L160 PolarHBondContact O-N 3.43Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 2.92Å; L160-S163 PolarHBondContact O-N 3.46Å; L160-I164 HydrophobicContact CD1-CD1 3.78Å; L160-I164 HydrophobicContact CD1-CG1 4.07Å; L160-I164 HydrophobicContact CG-CD1 3.99Å; L160-I164 PolarHBondContact O-N 3.14Å; L160-F187 HydrophobicContact CB-CD2 4.37Å; L160-F187 HydrophobicContact CB-CE1 4.33Å; L160-F187 HydrophobicContact CB-CE2 4.18Å; L160-F187 HydrophobicContact CB-CZ 4.18Å; L160-F187 HydrophobicContact CD1-CB 3.94Å; L160-F187 HydrophobicContact CD1-CD1 4.42Å; L160-F187 HydrophobicContact CD1-CD2 3.41Å; L160-F187 VanDerWaalsContact CD1-CD2 3.41Å; L160-F187 HydrophobicContact CD1-CE2 3.97Å; L160-F187 HydrophobicContact CD1-CG 3.68Å; L160-F187 HydrophobicContact CD2-CB 4.44Å; L160-F187 HydrophobicContact CD2-CD1 4.42Å; L160-F187 HydrophobicContact CD2-CG 4.31Å; L160-F187 HydrophobicContact CG-CD2 4.35Å; L160-F187 HydrophobicContact CG-CG 4.38Å; L160-Q191 HydrophobicContact CD2-CB 3.88Å; L160-Q191 WeakPolarHBondContact CD2-O 3.45Å; L160-I192 HydrophobicContact CD1-CG1 4.28Å; L160-S195 WeakPolarHBondContact CG-OG 3.31Å
161D97.3Very high95.5Very high0 Ų040.6 Ų40.60%019%0.187CC..Hα-helixtrans-57.5-47.9174.6-63.9-45.7000111L157 T158 F159 S163 I164 L165 S195 R198 L199L157-D161 HydrophobicContact CB-CB 4.13Å; L157-D161 HydrophobicContact CD2-CB 3.94Å; L157-D161 HydrophobicContact CG-CB 4.48Å; T158-D161 WeakPolarHBondContact CB-OD2 3.47Å; T158-D161 PolarHBondContact N-OD2 3.25Å; T158-D161 WeakPolarHBondContact O-CB 3.48Å; T158-D161 PolarHBondContact O-N 2.6Å; T158-D161 VanDerWaalsContact O-N 3.12Å; T158-D161 PolarHBondContact OG1-N 2.96Å; T158-D161 PolarHBondContact OG1-OD2 3.14Å; F159-D161 VanDerWaalsContact C-N 3.33Å; D161-S163 VanDerWaalsContact C-N 3.3Å; D161-S163 PolarHBondContact O-N 3.2Å; D161-I164 PolarHBondContact O-N 2.91Å; D161-L165 VanDerWaalsContact O-CG 3.3Å; D161-L165 WeakPolarHBondContact O-CG 3.49Å; D161-L165 PolarHBondContact O-N 3.12Å; D161-S195 PolarHBondContact OD1-OG 2.69Å; D161-R198 IonicContact OD1-CZ 3.85Å; D161-R198 IonicContact OD1-NE 3.83Å; D161-R198 PolarHBondContact OD1-NE 2.97Å; D161-R198 IonicContact OD1-NH2 2.76Å; D161-R198 PolarHBondContact OD1-NH2 2.99Å; D161-R198 IonicContact OD2-CZ 3.98Å; D161-R198 VanDerWaalsContact OD2-CZ 3.29Å; D161-R198 IonicContact OD2-NE 3.69Å; D161-R198 PolarHBondContact OD2-NE 2.99Å; D161-R198 IonicContact OD2-NH2 2.94Å; D161-R198 PolarHBondContact OD2-NH2 3.42Å; D161-L199 HydrophobicContact CB-CD1 4.29Å; D161-L199 HydrophobicContact CB-CD2 3.99Å; D161-L199 HydrophobicContact CB-CG 4.32Å
162L97Very high94.9Very high0 Ų045.9 Ų45.90%021%0.21CC..Hα-helixtrans-58.8-42.6177.2-172.877.1000111.8V9 F12 L151 T158 F159 L160 I164 L165 Y166 I232 F233 T236V9-L162 HydrophobicContact CG1-CD2 4.22Å; V9-L162 HydrophobicContact CG1-CG 4.39Å; F12-L162 HydrophobicContact CD1-CD2 3.64Å; F12-L162 HydrophobicContact CE1-CD2 3.56Å; L151-L162 HydrophobicContact CD1-CB 4.14Å; L151-L162 HydrophobicContact CD1-CD2 3.92Å; L151-L162 HydrophobicContact CD2-CD1 4.16Å; L151-L162 HydrophobicContact CD2-CD2 4.28Å; T158-L162 PolarHBondContact O-N 2.6Å; T158-L162 VanDerWaalsContact O-N 3.17Å; F159-L162 PolarHBondContact O-N 3.49Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 2.92Å; L162-I164 PolarHBondContact O-N 3.02Å; L162-L165 PolarHBondContact O-N 3.4Å; L162-Y166 WeakPolarHBondContact O-CB 3.43Å; L162-Y166 PolarHBondContact O-N 3.48Å; L162-I232 HydrophobicContact CD1-CG2 4.11Å; L162-F233 HydrophobicContact CD1-CD1 3.83Å; L162-F233 HydrophobicContact CD1-CE1 3.52Å; L162-F233 HydrophobicContact CD1-CZ 4.49Å; L162-F233 HydrophobicContact CG-CE1 4.4Å; L162-T236 HydrophobicContact CD2-CG2 4.3Å
163S96.4Very high94.3Very high3 Ų347.8 Ų47.82%0.02123%0.225CC..Hα-helixtrans-62.4-42.3179.9-55.60000111.7F159 L160 D161 Y166 V167F159-S163 WeakPolarHBondContact CE1-OG 3.23Å; F159-S163 PolarHBondContact O-N 3.19Å; F159-S163 PolarHBondContact O-OG 3.5Å; L160-S163 PolarHBondContact O-N 3.46Å; D161-S163 VanDerWaalsContact C-N 3.3Å; D161-S163 PolarHBondContact O-N 3.2Å; S163-Y166 WeakPolarHBondContact O-CB 3.42Å; S163-Y166 PolarHBondContact O-N 3.13Å; S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 2.87Å; S163-V167 VanDerWaalsContact O-N 3.11Å
164I96.6Very high94.1Very high0 Ų044.6 Ų44.60%022%0.217CC..Hα-helixtrans-64.6-46.8175.6-72.4163.6000110.8L160 D161 L162 Y166 V167 I168 L181 I185 I192 S195 V196 L199 L205L160-I164 HydrophobicContact CD1-CD1 3.78Å; L160-I164 HydrophobicContact CD1-CG1 4.07Å; L160-I164 HydrophobicContact CG-CD1 3.99Å; L160-I164 PolarHBondContact O-N 3.14Å; D161-I164 PolarHBondContact O-N 2.91Å; L162-I164 PolarHBondContact O-N 3.02Å; I164-Y166 PolarHBondContact O-N 2.81Å; I164-V167 PolarHBondContact O-N 3.27Å; I164-I168 HydrophobicContact CG2-CD1 3.5Å; I164-I168 VanDerWaalsContact CG2-CD1 3.5Å; I164-I168 HydrophobicContact CG2-CG1 4.33Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.25Å; I164-I168 PolarHBondContact O-N 3.08Å; I164-L181 HydrophobicContact CG2-CD1 3.98Å; I164-I185 HydrophobicContact CB-CD1 4.33Å; I164-I185 HydrophobicContact CG1-CD1 3.54Å; I164-I192 HydrophobicContact CD1-CG2 4.16Å; I164-S195 VanDerWaalsContact CD1-CB 3.43Å; I164-V196 HydrophobicContact CD1-CG2 4.19Å; I164-V196 HydrophobicContact CG2-CG2 4.46Å; I164-L199 HydrophobicContact CB-CD1 4.06Å; I164-L199 HydrophobicContact CG2-CD1 3.74Å; I164-L205 HydrophobicContact CG2-CD2 4.29Å
165L96.5Very high93.8Very high0 Ų042.8 Ų42.80%022%0.216CC..Hα-helixtrans-60.3-34.2177.1-64.9179000111.5L157 D161 L162 S169 L199 M204 I229 I232 F233L157-L165 HydrophobicContact CD1-CD1 4.15Å; D161-L165 VanDerWaalsContact O-CG 3.3Å; D161-L165 WeakPolarHBondContact O-CG 3.49Å; D161-L165 PolarHBondContact O-N 3.12Å; L162-L165 PolarHBondContact O-N 3.4Å; L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.41Å; L165-S169 PolarHBondContact O-OG 3.29Å; L165-L199 HydrophobicContact CD1-CD2 4.18Å; L165-L199 HydrophobicContact CD2-CD1 3.99Å; L165-L199 HydrophobicContact CD2-CD2 4.1Å; L165-L199 HydrophobicContact CG-CD1 4.17Å; L165-L199 HydrophobicContact CG-CD2 4.23Å; L165-M204 HydrophobicContact CD1-SD 4.33Å; L165-M204 HydrophobicContact CD2-CB 4.26Å; L165-I229 HydrophobicContact CB-CD1 4.44Å; L165-I229 HydrophobicContact CB-CG1 4.33Å; L165-I229 HydrophobicContact CB-CG2 4.24Å; L165-I229 HydrophobicContact CD1-CG1 4.38Å; L165-I229 HydrophobicContact CD2-CD1 3.91Å; L165-I229 HydrophobicContact CD2-CG1 3.97Å; L165-I229 HydrophobicContact CG-CG1 4.44Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; L165-F233 HydrophobicContact CB-CE1 4.14Å; L165-F233 HydrophobicContact CB-CZ 4.2Å
166Y96.1Very high93.7Very high33 Ų3341.4 Ų41.413%0.12921%0.21CC..Hα-helixtrans-64.6-52.5176.8176.2-92.1000111F6 V9 N10 I13 L162 S163 I164 I168 S169 S170 F233F6-Y166 AromaticContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD2-CD2 4.32Å; F6-Y166 AromaticContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CE1-CD2 4.43Å; F6-Y166 AromaticContact CE1-CE2 3.39Å; F6-Y166 HydrophobicContact CE1-CE2 3.39Å; F6-Y166 AromaticContact CE1-CZ 3.46Å; F6-Y166 VanDerWaalsContact CE1-CZ 3.46Å; F6-Y166 WeakPolarHBondContact CE1-OH 3.42Å; F6-Y166 AromaticContact CE2-CD2 3.75Å; F6-Y166 HydrophobicContact CE2-CD2 3.75Å; F6-Y166 AromaticContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CE2-CE2 3.49Å; F6-Y166 VanDerWaalsContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CG-CE2 4.14Å; F6-Y166 AromaticContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CE1 4.23Å; F6-Y166 AromaticContact CZ-CE2 3.16Å; F6-Y166 HydrophobicContact CZ-CE2 3.16Å; F6-Y166 AromaticContact CZ-CZ 3.39Å; V9-Y166 HydrophobicContact CB-CD2 4.41Å; V9-Y166 HydrophobicContact CG1-CD2 3.84Å; N10-Y166 HydrophobicContact CB-CE2 3.73Å; N10-Y166 WeakPolarHBondContact CB-OH 3.38Å; N10-Y166 PolarHBondContact ND2-OH 3.06Å; N10-Y166 PolarHBondContact OD1-OH 2.89Å; I13-Y166 VanDerWaalsContact CD1-CB 3.42Å; I13-Y166 HydrophobicContact CD1-CD1 3.7Å; I13-Y166 HydrophobicContact CD1-CD2 3.96Å; I13-Y166 HydrophobicContact CD1-CE1 4.49Å; I13-Y166 HydrophobicContact CD1-CG 3.41Å; I13-Y166 VanDerWaalsContact CD1-CG 3.41Å; L162-Y166 WeakPolarHBondContact O-CB 3.43Å; L162-Y166 PolarHBondContact O-N 3.48Å; S163-Y166 WeakPolarHBondContact O-CB 3.42Å; S163-Y166 PolarHBondContact O-N 3.13Å; I164-Y166 PolarHBondContact O-N 2.81Å; Y166-I168 PolarHBondContact O-N 3.36Å; Y166-S169 PolarHBondContact O-N 2.95Å; Y166-S169 PolarHBondContact O-OG 2.93Å; Y166-S170 WeakPolarHBondContact O-CB 3.49Å; Y166-S170 PolarHBondContact O-N 3.43Å; Y166-F233 AromaticContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CZ 4.45Å
167V94.7Very high93.5Very high14 Ų1439 Ų399%0.08520%0.197CC..Hα-helixtrans-56.7-49.5178.2175.20000111.1S163 I164 S169 S170 R171 L176 L181 I185S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 2.87Å; S163-V167 VanDerWaalsContact O-N 3.11Å; I164-V167 PolarHBondContact O-N 3.27Å; V167-S169 PolarHBondContact O-N 3.48Å; V167-S170 WeakPolarHBondContact O-CB 3.44Å; V167-S170 PolarHBondContact O-N 2.65Å; V167-S170 PolarHBondContact O-OG 2.71Å; V167-R171 PolarHBondContact O-N 3.36Å; V167-L176 HydrophobicContact CG1-CD1 4.14Å; V167-L181 HydrophobicContact CB-CD2 4.07Å; V167-L181 HydrophobicContact CG1-CD2 3.66Å; V167-I185 HydrophobicContact CG2-CD1 4.04Å; V167-I185 HydrophobicContact CG2-CG1 3.89Å
168I94.2Very high93.2Very high1 Ų139.6 Ų39.61%0.00520%0.2CC..Hα-helixtrans-65-41.9-178.2-58.4162.4000111.2I164 Y166 S170 R171 K172 L176 L181 L205 I219 I221I164-I168 HydrophobicContact CG2-CD1 3.5Å; I164-I168 VanDerWaalsContact CG2-CD1 3.5Å; I164-I168 HydrophobicContact CG2-CG1 4.33Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.25Å; I164-I168 PolarHBondContact O-N 3.08Å; Y166-I168 PolarHBondContact O-N 3.36Å; I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 PolarHBondContact O-N 2.7Å; I168-R171 CarbonylContact O-C 3.39Å; I168-R171 VanDerWaalsContact O-C 3.3Å; I168-R171 PolarHBondContact O-N 2.91Å; I168-K172 PolarHBondContact O-N 3.39Å; I168-L176 HydrophobicContact CB-CD1 4.43Å; I168-L176 HydrophobicContact CG1-CD1 4.05Å; I168-L181 HydrophobicContact CG1-CD2 4.07Å; I168-L205 HydrophobicContact CD1-CB 4.44Å; I168-L205 HydrophobicContact CD1-CD2 3.7Å; I168-I219 HydrophobicContact CD1-CG2 3.53Å; I168-I219 HydrophobicContact CG1-CG2 4.11Å; I168-I221 HydrophobicContact CG2-CB 4.31Å; I168-I221 HydrophobicContact CG2-CD1 3.98Å; I168-I221 HydrophobicContact CG2-CG1 3.84Å; I168-I221 HydrophobicContact CG2-CG2 3.67Å
169S93.7Very high92.8Very high7 Ų743.2 Ų43.25%0.04921%0.211CC..Hα-helixtrans-69.4-25.9179.470.20000113.9L165 Y166 V167 R171L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.41Å; L165-S169 PolarHBondContact O-OG 3.29Å; Y166-S169 PolarHBondContact O-N 2.95Å; Y166-S169 PolarHBondContact O-OG 2.93Å; V167-S169 PolarHBondContact O-N 3.48Å; S169-R171 VanDerWaalsContact C-N 3.27Å
170S92.5Very high92.5Very high59 Ų5944.3 Ų44.341%0.41322%0.218SC..Hα-helixtrans-68.6-28.3173.980.70000112.3Y166 V167 I168Y166-S170 WeakPolarHBondContact O-CB 3.49Å; Y166-S170 PolarHBondContact O-N 3.43Å; V167-S170 WeakPolarHBondContact O-CB 3.44Å; V167-S170 PolarHBondContact O-N 2.65Å; V167-S170 PolarHBondContact O-OG 2.71Å; I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 PolarHBondContact O-N 2.7Å
171R90.1Very high92.2Very high91 Ų9143.6 Ų43.634%0.34321%0.214SC..THydrogen-bonded Turntrans-117.244.8-178-62.5175.9-170.8-171.43.4111V167 I168 S169 N173 E174 L176V167-R171 PolarHBondContact O-N 3.36Å; I168-R171 CarbonylContact O-C 3.39Å; I168-R171 VanDerWaalsContact O-C 3.3Å; I168-R171 PolarHBondContact O-N 2.91Å; S169-R171 VanDerWaalsContact C-N 3.27Å; R171-N173 PolarHBondContact O-N 3.09Å; R171-E174 HydrophobicContact CB-CB 4.1Å; R171-E174 HydrophobicContact CB-CG 4.24Å; R171-E174 WeakPolarHBondContact CD-OE2 3.39Å; R171-E174 PolarHBondContact O-N 3.27Å; R171-L176 HydrophobicContact CB-CD1 4.49Å; R171-L176 HydrophobicContact CB-CD2 4.25Å
172K82.3Confident91.8Very high111 Ų11148 Ų4848%0.48323%0.233SC..THydrogen-bonded Turntrans-52.9-23.3-168.263.1172.1-174.3-178.20116.3I168 I221 Y226I168-K172 PolarHBondContact O-N 3.39Å; K172-I221 HydrophobicContact CB-CD1 4.48Å; K172-Y226 HydrophobicContact CB-CD2 4.22Å; K172-Y226 HydrophobicContact CB-CE2 4.21Å; K172-Y226 HydrophobicContact CD-CE2 4.34Å
173N83.7Confident91.4Very high147 Ų14754.4 Ų54.479%0.78626%0.263SS*.THydrogen-bonded Turntrans-103.2-2-177.6-65.3-16.5000112.5R171R171-N173 PolarHBondContact O-N 3.09Å
174E90.5Very high90.9Very high106 Ų10656.7 Ų56.750%0.49528%0.279SS..SBendtrans-97.4144.7-179.6-62.9171.8-143.700109.9R171 L176R171-E174 HydrophobicContact CB-CB 4.1Å; R171-E174 HydrophobicContact CB-CG 4.24Å; R171-E174 WeakPolarHBondContact CD-OE2 3.39Å; R171-E174 PolarHBondContact O-N 3.27Å; E174-L176 HydrophobicContact CB-CD2 4.08Å
175I91Very high90.6Very high94 Ų9457.5 Ų57.548%0.48228%0.283SS..  trans-90.9112.6165.4-59.3174.8000105.7L218 K220I175-L218 HydrophobicContact CG2-CB 3.72Å; I175-L218 HydrophobicContact CG2-CD1 4.17Å; I175-L218 HydrophobicContact CG2-CD2 3.87Å; I175-L218 HydrophobicContact CG2-CG 4.12Å; I175-K220 HydrophobicContact CG1-CB 4.44Å; I175-K220 HydrophobicContact CG1-CD 4.46Å
176L92.9Very high90.3Very high1 Ų160.5 Ų60.51%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-89.6142.9-178-60.2-179.1000110.7V167 I168 R171 E174 L181 L218 I219V167-L176 HydrophobicContact CG1-CD1 4.14Å; I168-L176 HydrophobicContact CB-CD1 4.43Å; I168-L176 HydrophobicContact CG1-CD1 4.05Å; R171-L176 HydrophobicContact CB-CD1 4.49Å; R171-L176 HydrophobicContact CB-CD2 4.25Å; E174-L176 HydrophobicContact CB-CD2 4.08Å; L176-L181 HydrophobicContact CD1-CD2 4.07Å; L176-L218 CarbonylContact O-C 3.3Å; L176-I219 PolarHBondContact N-O 3.49Å; L176-I219 PolarHBondContact O-N 3.12Å
177N92.3Very high90.1Very high62 Ų6260.3 Ų60.333%0.33229%0.294SS..EExtended strand (participates in β ladder)trans-82.1152.1168.5-45.5-30.7000108.4K179 D180 L181N177-K179 PolarHBondContact O-N 3.47Å; N177-K179 VanDerWaalsContact O-N 3.15Å; N177-D180 WeakPolarHBondContact CB-OD2 3.39Å; N177-D180 PolarHBondContact N-OD2 2.88Å; N177-D180 PolarHBondContact ND2-OD1 3.35Å; N177-D180 PolarHBondContact ND2-OD2 3.26Å; N177-D180 WeakPolarHBondContact O-CB 3.44Å; N177-D180 PolarHBondContact O-N 2.91Å; N177-L181 PolarHBondContact O-N 3.47Å
178L90.4Very high90Very high12 Ų1265.4 Ų65.46%0.06332%0.319CS..Hα-helixtrans-57.5-30171.7-177.265.6000112.6D180 L181 F182 Y189 I192 V193 V196 V217 I219L178-D180 VanDerWaalsContact C-N 3.34Å; L178-L181 PolarHBondContact O-N 3.07Å; L178-F182 PolarHBondContact O-N 3.32Å; L178-Y189 HydrophobicContact CD2-CE2 3.78Å; L178-Y189 VanDerWaalsContact CD2-OH 3.23Å; L178-Y189 WeakPolarHBondContact CD2-OH 3.34Å; L178-Y189 HydrophobicContact CG-CE2 3.94Å; L178-I192 HydrophobicContact CD1-CG2 3.95Å; L178-V193 HydrophobicContact CD2-CG2 3.7Å; L178-V196 HydrophobicContact CD1-CG2 4.01Å; L178-V217 HydrophobicContact CB-CB 4.15Å; L178-V217 HydrophobicContact CB-CG1 4.49Å; L178-V217 PolarHBondContact N-O 3.41Å; L178-I219 HydrophobicContact CB-CD1 4.33Å; L178-I219 HydrophobicContact CD1-CD1 3.94Å
179K88.2Confident89.9Confident136 Ų13670.8 Ų70.859%0.59134%0.34SS*.Hα-helixtrans-62.9-39.1174.4-168.5-177.8178.7-161.60111.9N177 L181 F182 E183N177-K179 PolarHBondContact O-N 3.47Å; N177-K179 VanDerWaalsContact O-N 3.15Å; K179-L181 VanDerWaalsContact C-N 3.28Å; K179-L181 PolarHBondContact O-N 2.95Å; K179-F182 WeakPolarHBondContact O-CA 3.09Å; K179-F182 WeakPolarHBondContact O-CB 3.48Å; K179-F182 PolarHBondContact O-N 2.98Å; K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 IonicContact NZ-OE1 2.93Å; K179-E183 PolarHBondContact O-N 3.43Å
180D89.3Confident90Very high38 Ų3874.2 Ų74.220%0.20336%0.361CS..Hα-helixtrans-65.3-34.1180-47.9-20.6000111.3N177 L178 S184N177-D180 WeakPolarHBondContact CB-OD2 3.39Å; N177-D180 PolarHBondContact N-OD2 2.88Å; N177-D180 PolarHBondContact ND2-OD1 3.35Å; N177-D180 PolarHBondContact ND2-OD2 3.26Å; N177-D180 WeakPolarHBondContact O-CB 3.44Å; N177-D180 PolarHBondContact O-N 2.91Å; L178-D180 VanDerWaalsContact C-N 3.34Å; D180-S184 WeakPolarHBondContact O-CB 3.49Å; D180-S184 PolarHBondContact O-N 2.96Å; D180-S184 PolarHBondContact O-OG 3.15Å
181L89.9Confident90.1Very high0 Ų074.3 Ų74.30%036%0.355CS..Hα-helixtrans-68.8-35.8172-65-172.9000112.4I164 V167 I168 L176 N177 L178 K179 S184 I185 I192 V196 I219I164-L181 HydrophobicContact CG2-CD1 3.98Å; V167-L181 HydrophobicContact CB-CD2 4.07Å; V167-L181 HydrophobicContact CG1-CD2 3.66Å; I168-L181 HydrophobicContact CG1-CD2 4.07Å; L176-L181 HydrophobicContact CD1-CD2 4.07Å; N177-L181 PolarHBondContact O-N 3.47Å; L178-L181 PolarHBondContact O-N 3.07Å; K179-L181 VanDerWaalsContact C-N 3.28Å; K179-L181 PolarHBondContact O-N 2.95Å; L181-S184 WeakPolarHBondContact CA-OG 3.44Å; L181-S184 PolarHBondContact O-N 3.17Å; L181-S184 PolarHBondContact O-OG 3.28Å; L181-I185 WeakPolarHBondContact O-CG1 3.47Å; L181-I185 PolarHBondContact O-N 3.49Å; L181-I192 HydrophobicContact CB-CG2 4.06Å; L181-I192 HydrophobicContact CD1-CG2 4.41Å; L181-V196 HydrophobicContact CD1-CG2 3.8Å; L181-I219 HydrophobicContact CD1-CD1 3.32Å; L181-I219 HydrophobicContact CG-CD1 4.18Å
182F89.7Confident90.4Very high94 Ų9470 Ų7041%0.41234%0.339SS..Hα-helixtrans-68.4-38.3178.3176.4-111.3000112.2L178 K179 S184 Y189 I192L178-F182 PolarHBondContact O-N 3.32Å; K179-F182 WeakPolarHBondContact O-CA 3.09Å; K179-F182 WeakPolarHBondContact O-CB 3.48Å; K179-F182 PolarHBondContact O-N 2.98Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 3.31Å; F182-Y189 HydrophobicContact CB-CD2 4.17Å; F182-Y189 HydrophobicContact CD2-CD2 4.26Å; F182-Y189 HydrophobicContact CG-CD2 4.13Å; F182-I192 HydrophobicContact CB-CD1 4.17Å; F182-I192 HydrophobicContact CD2-CD1 4.02Å
183E88.5Confident91Very high134 Ų13466.5 Ų66.563%0.62633%0.327SS*.Hα-helixtrans-72.5-24.5177.5-68.9175.3-176.600112.9K179K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 IonicContact NZ-OE1 2.93Å; K179-E183 PolarHBondContact O-N 3.43Å
184S86.5Confident91.6Very high50 Ų5067.3 Ų67.335%0.3532%0.319SS..Hα-helixtrans-95-12.4-175.552.70000115.1D180 L181 F182D180-S184 WeakPolarHBondContact O-CB 3.49Å; D180-S184 PolarHBondContact O-N 2.96Å; D180-S184 PolarHBondContact O-OG 3.15Å; L181-S184 WeakPolarHBondContact CA-OG 3.44Å; L181-S184 PolarHBondContact O-N 3.17Å; L181-S184 PolarHBondContact O-OG 3.28Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 3.31Å
185I89.5Confident91.9Very high17 Ų1762.3 Ų62.39%0.08730%0.296CS..SBendtrans-132.7135-174.1-40174000110.7I164 V167 L181 F187I164-I185 HydrophobicContact CB-CD1 4.33Å; I164-I185 HydrophobicContact CG1-CD1 3.54Å; V167-I185 HydrophobicContact CG2-CD1 4.04Å; V167-I185 HydrophobicContact CG2-CG1 3.89Å; L181-I185 WeakPolarHBondContact O-CG1 3.47Å; L181-I185 PolarHBondContact O-N 3.49Å; I185-F187 HydrophobicContact CG2-CD2 3.55Å; I185-F187 HydrophobicContact CG2-CE2 4.06Å; I185-F187 PolarHBondContact O-N 3.48Å
186R89.9Confident92.2Very high63 Ų6357.9 Ų57.924%0.23827%0.273CS..SBendtrans-61.72.2-176.870.2171.3-165.875.3-3.1117.3E16 F21E16-R186 IonicContact OE1-CZ 3.46Å; E16-R186 IonicContact OE1-NH2 3.29Å; E16-R186 PolarHBondContact OE1-NH2 3.12Å; E16-R186 IonicContact OE2-CZ 3.73Å; E16-R186 IonicContact OE2-NE 3.85Å; E16-R186 PolarHBondContact OE2-NE 2.89Å; E16-R186 IonicContact OE2-NH2 2.78Å; E16-R186 PolarHBondContact OE2-NH2 3.19Å; F21-R186 HydrophobicContact CZ-CB 4.14Å
187F92.5Very high92.4Very high29 Ų2960.5 Ų60.513%0.12729%0.287CS..SBendtrans-91.9154-174.2-68.7-89.7000111.3F159 L160 I185 Q191 I192F159-F187 HydrophobicContact CD1-CE2 4.2Å; F159-F187 AromaticContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CE1-CE2 4.19Å; F159-F187 HydrophobicContact CE1-CZ 4.19Å; L160-F187 HydrophobicContact CB-CD2 4.37Å; L160-F187 HydrophobicContact CB-CE1 4.33Å; L160-F187 HydrophobicContact CB-CE2 4.18Å; L160-F187 HydrophobicContact CB-CZ 4.18Å; L160-F187 HydrophobicContact CD1-CB 3.94Å; L160-F187 HydrophobicContact CD1-CD1 4.42Å; L160-F187 HydrophobicContact CD1-CD2 3.41Å; L160-F187 VanDerWaalsContact CD1-CD2 3.41Å; L160-F187 HydrophobicContact CD1-CE2 3.97Å; L160-F187 HydrophobicContact CD1-CG 3.68Å; L160-F187 HydrophobicContact CD2-CB 4.44Å; L160-F187 HydrophobicContact CD2-CD1 4.42Å; L160-F187 HydrophobicContact CD2-CG 4.31Å; L160-F187 HydrophobicContact CG-CD2 4.35Å; L160-F187 HydrophobicContact CG-CG 4.38Å; I185-F187 HydrophobicContact CG2-CD2 3.55Å; I185-F187 HydrophobicContact CG2-CE2 4.06Å; I185-F187 PolarHBondContact O-N 3.48Å; F187-Q191 HydrophobicContact CB-CB 4.44Å; F187-I192 HydrophobicContact CB-CG1 4.09Å
188M92.3Very high92.6Very high122 Ų12261.7 Ų61.760%0.60129%0.287SS*.  trans-69.5147.3179.6-60.3-173.6-65.100110.9P190 Q191 I192M188-P190 VanDerWaalsContact C-CD 3.49Å; M188-P190 VanDerWaalsContact C-N 3.35Å; M188-Q191 HydrophobicContact CB-CG 4.41Å; M188-Q191 HydrophobicContact CE-CG 4.47Å; M188-Q191 WeakPolarHBondContact O-CA 3.49Å; M188-Q191 VanDerWaalsContact O-CB 3.31Å; M188-Q191 WeakPolarHBondContact O-CB 3.46Å; M188-Q191 PolarHBondContact O-N 3.43Å; M188-I192 PolarHBondContact O-N 2.76Å
189Y92.6Very high92.9Very high114 Ų11461.1 Ų61.145%0.44728%0.284SS..Hα-helixtrans-47.9-46.2-178.9-176.7-94000114.1L178 F182 Q191 I192 V193L178-Y189 HydrophobicContact CD2-CE2 3.78Å; L178-Y189 VanDerWaalsContact CD2-OH 3.23Å; L178-Y189 WeakPolarHBondContact CD2-OH 3.34Å; L178-Y189 HydrophobicContact CG-CE2 3.94Å; F182-Y189 HydrophobicContact CB-CD2 4.17Å; F182-Y189 HydrophobicContact CD2-CD2 4.26Å; F182-Y189 HydrophobicContact CG-CD2 4.13Å; Y189-Q191 PolarHBondContact O-N 2.93Å; Y189-I192 PolarHBondContact O-N 3.23Å; Y189-I192 VanDerWaalsContact O-N 3.16Å; Y189-V193 HydrophobicContact CD1-CG2 3.92Å; Y189-V193 HydrophobicContact CE1-CG2 3.6Å; Y189-V193 HydrophobicContact CE2-CG2 4.44Å; Y189-V193 HydrophobicContact CG-CG2 4.48Å; Y189-V193 WeakPolarHBondContact O-CG2 3.4Å; Y189-V193 PolarHBondContact O-N 3.16Å
190P94.5Very high93.3Very high78 Ų7857.1 Ų57.151%0.50627%0.269SS..Hα-helixtrans-64.7-23.5177.9-22.535.1000114.6M188 R194M188-P190 VanDerWaalsContact C-CD 3.49Å; M188-P190 VanDerWaalsContact C-N 3.35Å; P190-R194 WeakPolarHBondContact O-CG 3.46Å; P190-R194 PolarHBondContact O-N 3.48Å; P190-R194 PolarHBondContact O-NE 3.42Å; P190-R194 VanDerWaalsContact O-NE 3.11Å
191Q95.5Very high93.7Very high61 Ų6161.8 Ų61.829%0.28529%0.294SS..Hα-helixtrans-75.9-44.7174.9-61.3172.9-47.300110.1L160 F187 M188 Y189 R194 S195L160-Q191 HydrophobicContact CD2-CB 3.88Å; L160-Q191 WeakPolarHBondContact CD2-O 3.45Å; F187-Q191 HydrophobicContact CB-CB 4.44Å; M188-Q191 HydrophobicContact CB-CG 4.41Å; M188-Q191 HydrophobicContact CE-CG 4.47Å; M188-Q191 WeakPolarHBondContact O-CA 3.49Å; M188-Q191 VanDerWaalsContact O-CB 3.31Å; M188-Q191 WeakPolarHBondContact O-CB 3.46Å; M188-Q191 PolarHBondContact O-N 3.43Å; Y189-Q191 PolarHBondContact O-N 2.93Å; Q191-R194 PolarHBondContact O-N 2.75Å; Q191-S195 PolarHBondContact O-N 2.93Å
192I96Very high94Very high0 Ų065.2 Ų65.20%031%0.309CS..Hα-helixtrans-60.3-49.5178.1-60.7179.3000110.2L160 I164 L178 L181 F182 F187 M188 Y189 R194 S195 V196L160-I192 HydrophobicContact CD1-CG1 4.28Å; I164-I192 HydrophobicContact CD1-CG2 4.16Å; L178-I192 HydrophobicContact CD1-CG2 3.95Å; L181-I192 HydrophobicContact CB-CG2 4.06Å; L181-I192 HydrophobicContact CD1-CG2 4.41Å; F182-I192 HydrophobicContact CB-CD1 4.17Å; F182-I192 HydrophobicContact CD2-CD1 4.02Å; F187-I192 HydrophobicContact CB-CG1 4.09Å; M188-I192 PolarHBondContact O-N 2.76Å; Y189-I192 PolarHBondContact O-N 3.23Å; Y189-I192 VanDerWaalsContact O-N 3.16Å; I192-R194 VanDerWaalsContact C-N 3.33Å; I192-R194 PolarHBondContact O-N 2.87Å; I192-S195 WeakPolarHBondContact O-CB 3.35Å; I192-S195 PolarHBondContact O-N 2.87Å; I192-S195 VanDerWaalsContact O-N 3.08Å; I192-V196 HydrophobicContact CG2-CG2 4.17Å; I192-V196 WeakPolarHBondContact O-CG2 3.4Å; I192-V196 PolarHBondContact O-N 3.34Å
193V95.1Very high94.3Very high39 Ų3962.7 Ų62.724%0.23631%0.31CS..Hα-helixtrans-52.3-49.6176.9172.50000111.7L178 Y189 S195 V196 N197L178-V193 HydrophobicContact CD2-CG2 3.7Å; Y189-V193 HydrophobicContact CD1-CG2 3.92Å; Y189-V193 HydrophobicContact CE1-CG2 3.6Å; Y189-V193 HydrophobicContact CE2-CG2 4.44Å; Y189-V193 HydrophobicContact CG-CG2 4.48Å; Y189-V193 WeakPolarHBondContact O-CG2 3.4Å; Y189-V193 PolarHBondContact O-N 3.16Å; V193-S195 VanDerWaalsContact C-N 3.34Å; V193-S195 PolarHBondContact O-N 3.14Å; V193-V196 PolarHBondContact O-N 3.15Å; V193-N197 PolarHBondContact O-N 3.39Å; V193-N197 PolarHBondContact O-ND2 2.87Å
194R96.3Very high94.6Very high163 Ų16357.5 Ų57.562%0.61529%0.286SS*.Hα-helixtrans-62.9-40.4179.5-75.3-174.8-69.4165.5-5.5112.1P190 Q191 I192 R198P190-R194 WeakPolarHBondContact O-CG 3.46Å; P190-R194 PolarHBondContact O-N 3.48Å; P190-R194 PolarHBondContact O-NE 3.42Å; P190-R194 VanDerWaalsContact O-NE 3.11Å; Q191-R194 PolarHBondContact O-N 2.75Å; I192-R194 VanDerWaalsContact C-N 3.33Å; I192-R194 PolarHBondContact O-N 2.87Å; R194-R198 WeakPolarHBondContact O-CB 3.42Å; R194-R198 PolarHBondContact O-N 3.19Å; R194-R198 VanDerWaalsContact O-N 3.07Å
195S97Very high95.1Very high1 Ų155.2 Ų55.21%0.00727%0.27CS..Hα-helixtrans-65.3-45.1176.1-122.70000112.1L160 D161 I164 Q191 I192 V193 N197 R198 L199L160-S195 WeakPolarHBondContact CG-OG 3.31Å; D161-S195 PolarHBondContact OD1-OG 2.69Å; I164-S195 VanDerWaalsContact CD1-CB 3.43Å; Q191-S195 PolarHBondContact O-N 2.93Å; I192-S195 WeakPolarHBondContact O-CB 3.35Å; I192-S195 PolarHBondContact O-N 2.87Å; I192-S195 VanDerWaalsContact O-N 3.08Å; V193-S195 VanDerWaalsContact C-N 3.34Å; V193-S195 PolarHBondContact O-N 3.14Å; S195-N197 PolarHBondContact O-N 3.3Å; S195-R198 PolarHBondContact O-N 3.25Å; S195-R198 PolarHBondContact OG-NH2 3.27Å; S195-L199 WeakPolarHBondContact O-CB 3.44Å; S195-L199 WeakPolarHBondContact O-CG 3.16Å; S195-L199 PolarHBondContact O-N 3.03Å
196V96.9Very high95.4Very high1 Ų156.6 Ų56.61%0.00628%0.277CS..Hα-helixtrans-60.3-45.81781710000110.6I164 L178 L181 I192 V193 R198 L199 N200 L205 K207 I219I164-V196 HydrophobicContact CD1-CG2 4.19Å; I164-V196 HydrophobicContact CG2-CG2 4.46Å; L178-V196 HydrophobicContact CD1-CG2 4.01Å; L181-V196 HydrophobicContact CD1-CG2 3.8Å; I192-V196 HydrophobicContact CG2-CG2 4.17Å; I192-V196 WeakPolarHBondContact O-CG2 3.4Å; I192-V196 PolarHBondContact O-N 3.34Å; V193-V196 PolarHBondContact O-N 3.15Å; V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 PolarHBondContact O-N 2.94Å; V196-L199 PolarHBondContact O-N 3.3Å; V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 PolarHBondContact O-N 3.46Å; V196-L205 HydrophobicContact CG1-CD1 4.25Å; V196-K207 HydrophobicContact CG1-CB 4.36Å; V196-K207 HydrophobicContact CG1-CD 4.18Å; V196-K207 HydrophobicContact CG1-CG 4.16Å; V196-I219 HydrophobicContact CG1-CD1 3.76Å; V196-I219 HydrophobicContact CG1-CG1 4.19Å; V196-I219 HydrophobicContact CG2-CD1 3.9Å
197N96.8Very high95.7Very high56 Ų5657.3 Ų57.330%0.29928%0.282SS..Hα-helixtrans-59.3-44.7175.5-70.6-21.4000111.8V193 S195 N200 N201 K207V193-N197 PolarHBondContact O-N 3.39Å; V193-N197 PolarHBondContact O-ND2 2.87Å; S195-N197 PolarHBondContact O-N 3.3Å; N197-N200 PolarHBondContact O-N 3.49Å; N197-N201 PolarHBondContact O-N 3.01Å; N197-N201 PolarHBondContact O-OD1 2.91Å; N197-K207 WeakPolarHBondContact OD1-CE 3.49Å; N197-K207 PolarHBondContact OD1-NZ 3.13Å
198R96.7Very high95.8Very high88 Ų8859.2 Ų59.233%0.33229%0.291SS..Hα-helixtrans-62.6-44.6176.9178.3174.959.3-131.4-4.9112T158 D161 R194 S195 V196 N201 K202T158-R198 PolarHBondContact OG1-NH2 2.76Å; T158-R198 VanDerWaalsContact OG1-NH2 3.1Å; D161-R198 IonicContact OD1-CZ 3.85Å; D161-R198 IonicContact OD1-NE 3.83Å; D161-R198 PolarHBondContact OD1-NE 2.97Å; D161-R198 IonicContact OD1-NH2 2.76Å; D161-R198 PolarHBondContact OD1-NH2 2.99Å; D161-R198 IonicContact OD2-CZ 3.98Å; D161-R198 VanDerWaalsContact OD2-CZ 3.29Å; D161-R198 IonicContact OD2-NE 3.69Å; D161-R198 PolarHBondContact OD2-NE 2.99Å; D161-R198 IonicContact OD2-NH2 2.94Å; D161-R198 PolarHBondContact OD2-NH2 3.42Å; R194-R198 WeakPolarHBondContact O-CB 3.42Å; R194-R198 PolarHBondContact O-N 3.19Å; R194-R198 VanDerWaalsContact O-N 3.07Å; S195-R198 PolarHBondContact O-N 3.25Å; S195-R198 PolarHBondContact OG-NH2 3.27Å; V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 PolarHBondContact O-N 2.94Å; R198-N201 PolarHBondContact O-N 2.83Å; R198-K202 HydrophobicContact CG-CD 4.43Å; R198-K202 WeakPolarHBondContact O-CG 3.41Å; R198-K202 PolarHBondContact O-N 3.38Å
199L97.7Very high95.8Very high0 Ų061.1 Ų61.10%029%0.292CS..Hα-helixtrans-65.2-38.6179-75.4174.4000112L157 D161 I164 L165 S195 V196 K202 G203 M204 L205L157-L199 HydrophobicContact CD2-CD2 3.98Å; D161-L199 HydrophobicContact CB-CD1 4.29Å; D161-L199 HydrophobicContact CB-CD2 3.99Å; D161-L199 HydrophobicContact CB-CG 4.32Å; I164-L199 HydrophobicContact CB-CD1 4.06Å; I164-L199 HydrophobicContact CG2-CD1 3.74Å; L165-L199 HydrophobicContact CD1-CD2 4.18Å; L165-L199 HydrophobicContact CD2-CD1 3.99Å; L165-L199 HydrophobicContact CD2-CD2 4.1Å; L165-L199 HydrophobicContact CG-CD1 4.17Å; L165-L199 HydrophobicContact CG-CD2 4.23Å; S195-L199 WeakPolarHBondContact O-CB 3.44Å; S195-L199 WeakPolarHBondContact O-CG 3.16Å; S195-L199 PolarHBondContact O-N 3.03Å; V196-L199 PolarHBondContact O-N 3.3Å; L199-K202 PolarHBondContact O-N 3.33Å; L199-G203 PolarHBondContact O-N 2.96Å; L199-M204 HydrophobicContact CD2-CB 4.07Å; L199-M204 HydrophobicContact CD2-SD 3.71Å; L199-M204 PolarHBondContact O-N 3.31Å; L199-L205 HydrophobicContact CB-CD2 3.57Å; L199-L205 HydrophobicContact CB-CG 3.79Å; L199-L205 HydrophobicContact CD1-CD2 3.88Å; L199-L205 HydrophobicContact CG-CD2 4.39Å
200N97.2Very high95.8Very high52 Ų5256.7 Ų56.728%0.27828%0.277SS..Hα-helixtrans-61.5-48.1172.7-172.168000111.3V196 N197 K202 G203 L205 K207V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 PolarHBondContact O-N 3.46Å; N197-N200 PolarHBondContact O-N 3.49Å; N200-K202 PolarHBondContact O-N 3.42Å; N200-G203 PolarHBondContact O-N 2.9Å; N200-L205 HydrophobicContact CB-CD1 3.73Å; N200-L205 PolarHBondContact OD1-O 3.26Å; N200-K207 HydrophobicContact CB-CB 3.99Å; N200-K207 PolarHBondContact OD1-N 3.25Å
201N96.5Very high95.7Very high136 Ų13661.8 Ų61.873%0.72730%0.299SS*.Hα-helixtrans-63-25.3177.7-67.3-0.9000112.8N197 R198 G203N197-N201 PolarHBondContact O-N 3.01Å; N197-N201 PolarHBondContact O-OD1 2.91Å; R198-N201 PolarHBondContact O-N 2.83Å; N201-G203 VanDerWaalsContact C-N 3.3Å
202K95.9Very high95.5Very high71 Ų7163.6 Ų63.631%0.30933%0.325SS..THydrogen-bonded Turntrans-84.40.3173.3-72.4-175.7172.5-153.60113.8N156 L157 R198 L199 N200 M204N156-K202 PolarHBondContact ND2-NZ 3.24Å; N156-K202 VanDerWaalsContact ND2-NZ 3.19Å; N156-K202 PolarHBondContact O-NZ 2.97Å; L157-K202 HydrophobicContact CD2-CD 4.31Å; R198-K202 HydrophobicContact CG-CD 4.43Å; R198-K202 WeakPolarHBondContact O-CG 3.41Å; R198-K202 PolarHBondContact O-N 3.38Å; L199-K202 PolarHBondContact O-N 3.33Å; N200-K202 PolarHBondContact O-N 3.42Å; K202-M204 HydrophobicContact CB-CG 4.05Å; K202-M204 HydrophobicContact CB-SD 4.31Å; K202-M204 HydrophobicContact CD-CE 4.46Å; K202-M204 HydrophobicContact CD-SD 4.46Å; K202-M204 PolarHBondContact O-N 3.43Å
203G95.7Very high95.2Very high42 Ų4265.7 Ų65.743%0.43334%0.336SS..THydrogen-bonded Turntrans66.119.7-176.600000114.2L199 N200 N201 Q225L199-G203 PolarHBondContact O-N 2.96Å; N200-G203 PolarHBondContact O-N 2.9Å; N201-G203 VanDerWaalsContact C-N 3.3Å; G203-Q225 VanDerWaalsContact O-CG 3.31Å; G203-Q225 WeakPolarHBondContact O-CG 3.34Å
204M95.8Very high94.9Very high24 Ų2470.6 Ų70.612%0.11836%0.356CS..SBendtrans-89.3-15-177.5-68.9-176.317400113.6L157 L165 L199 K202 Q225 I232L157-M204 HydrophobicContact CD1-CE 4.29Å; L157-M204 HydrophobicContact CD1-SD 4.15Å; L157-M204 HydrophobicContact CD2-CE 4.16Å; L157-M204 HydrophobicContact CD2-SD 3.79Å; L165-M204 HydrophobicContact CD1-SD 4.33Å; L165-M204 HydrophobicContact CD2-CB 4.26Å; L199-M204 HydrophobicContact CD2-CB 4.07Å; L199-M204 HydrophobicContact CD2-SD 3.71Å; L199-M204 PolarHBondContact O-N 3.31Å; K202-M204 HydrophobicContact CB-CG 4.05Å; K202-M204 HydrophobicContact CB-SD 4.31Å; K202-M204 HydrophobicContact CD-CE 4.46Å; K202-M204 HydrophobicContact CD-SD 4.46Å; K202-M204 PolarHBondContact O-N 3.43Å; M204-Q225 WeakPolarHBondContact O-CB 3.49Å; M204-I232 HydrophobicContact CE-CD1 3.99Å; M204-I232 HydrophobicContact SD-CD1 4.29Å
205L96.5Very high94.5Very high3 Ų372.6 Ų72.62%0.01636%0.364CS..SBendtrans-149.6169.1170.560.577.5000109.1I164 I168 V196 L199 N200 K207 I219 I221I164-L205 HydrophobicContact CG2-CD2 4.29Å; I168-L205 HydrophobicContact CD1-CB 4.44Å; I168-L205 HydrophobicContact CD1-CD2 3.7Å; V196-L205 HydrophobicContact CG1-CD1 4.25Å; L199-L205 HydrophobicContact CB-CD2 3.57Å; L199-L205 HydrophobicContact CB-CG 3.79Å; L199-L205 HydrophobicContact CD1-CD2 3.88Å; L199-L205 HydrophobicContact CG-CD2 4.39Å; N200-L205 HydrophobicContact CB-CD1 3.73Å; N200-L205 PolarHBondContact OD1-O 3.26Å; L205-K207 HydrophobicContact CD1-CB 4Å; L205-I219 HydrophobicContact CD1-CG2 4.34Å; L205-I219 HydrophobicContact CD2-CG2 4.12Å; L205-I221 HydrophobicContact CB-CG2 4.15Å
206I95.8Very high94.2Very high46 Ų4675.6 Ų75.624%0.23638%0.379CS..EExtended strand (participates in β ladder)trans-108.8122.8172.2-59.2166.5000107.3I219 K220I206-I219 WeakPolarHBondContact O-CA 3.5Å; I206-K220 HydrophobicContact CB-CG 3.87Å; I206-K220 HydrophobicContact CD1-CG 4.35Å; I206-K220 HydrophobicContact CG2-CG 4.18Å; I206-K220 PolarHBondContact N-O 2.92Å; I206-K220 PolarHBondContact O-N 3.19Å
207K95.4Very high94Very high77 Ų7776.9 Ų76.934%0.33539%0.387SS..EExtended strand (participates in β ladder)trans-113121.9172.2179.9-154167.8-163.90109V196 N197 N200 L205 V217 L218V196-K207 HydrophobicContact CG1-CB 4.36Å; V196-K207 HydrophobicContact CG1-CD 4.18Å; V196-K207 HydrophobicContact CG1-CG 4.16Å; N197-K207 WeakPolarHBondContact OD1-CE 3.49Å; N197-K207 PolarHBondContact OD1-NZ 3.13Å; N200-K207 HydrophobicContact CB-CB 3.99Å; N200-K207 PolarHBondContact OD1-N 3.25Å; L205-K207 HydrophobicContact CD1-CB 4Å; K207-V217 HydrophobicContact CD-CG1 4.24Å; K207-V217 HydrophobicContact CG-CG1 3.65Å; K207-L218 WeakPolarHBondContact CA-O 3.47Å
208E94.7Very high93.9Very high70 Ų7075.3 Ų75.333%0.32738%0.378SS..EExtended strand (participates in β ladder)trans-135.8169.2177.165.7-166.9-169.700110.7L218 K220E208-L218 HydrophobicContact CG-CB 3.89Å; E208-L218 HydrophobicContact CG-CD1 4.4Å; E208-L218 PolarHBondContact N-O 2.86Å; E208-L218 PolarHBondContact O-N 2.92Å; E208-K220 WeakPolarHBondContact OE1-CE 3.42Å; E208-K220 IonicContact OE1-NZ 2.65Å; E208-K220 PolarHBondContact OE1-NZ 2.95Å; E208-K220 WeakPolarHBondContact OE2-CE 3.49Å; E208-K220 IonicContact OE2-NZ 2.84Å; E208-K220 PolarHBondContact OE2-NZ 3.05Å
209R93.8Very high93.9Very high162 Ų16271.1 Ų71.161%0.61136%0.363SS*.EExtended strand (participates in β ladder)trans-95.3146.6168.3-73-177.6177.6-11910.2108.8E214 I216R209-E214 VanDerWaalsContact CD-O 3.27Å; R209-E214 WeakPolarHBondContact CD-O 3.39Å; R209-E214 PolarHBondContact NH1-O 2.98Å; R209-I216 WeakPolarHBondContact CA-O 3.45Å
210S92.7Very high93.7Very high21 Ų2173.9 Ų73.915%0.14738%0.375CS..  trans-64.9137.5172.4176.90000110.2A212 D213 E214 I216S210-A212 VanDerWaalsContact C-N 3.26Å; S210-A212 PolarHBondContact OG-N 3.25Å; S210-D213 WeakPolarHBondContact CB-O 3.45Å; S210-D213 CarbonylContact O-C 3.33Å; S210-D213 PolarHBondContact OG-N 2.98Å; S210-E214 PolarHBondContact O-N 3.27Å; S210-I216 PolarHBondContact N-O 3.06Å
211L91.4Very high93.7Very high184 Ų18472.4 Ų72.496%0.96337%0.366SS*.SBendtrans-70.6-24173.4-64.3175.9000112.3
212A91.3Very high93.5Very high100 Ų10069.3 Ų69.383%0.82635%0.35SS*.SBendtrans-85.7-30.8179.900000113S210S210-A212 VanDerWaalsContact C-N 3.26Å; S210-A212 PolarHBondContact OG-N 3.25Å
213D90.3Very high93.4Very high44 Ų4474 Ų7424%0.23537%0.37CS..  trans-148.5103.9174.1-175.6-16.8000109.2S210 R215 I216S210-D213 WeakPolarHBondContact CB-O 3.45Å; S210-D213 CarbonylContact O-C 3.33Å; S210-D213 PolarHBondContact OG-N 2.98Å; D213-R215 PolarHBondContact O-N 2.83Å; D213-R215 WeakPolarHBondContact OD1-CB 3.27Å; D213-R215 WeakPolarHBondContact OD1-CG 3.42Å; D213-R215 IonicContact OD1-CZ 3.83Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 3.54Å; D213-R215 PolarHBondContact OD1-NE 2.83Å; D213-R215 IonicContact OD1-NH2 2.76Å; D213-R215 IonicContact OD2-CZ 2.85Å; D213-R215 IonicContact OD2-NE 2.6Å; D213-R215 PolarHBondContact OD2-NE 2.93Å; D213-R215 IonicContact OD2-NH2 2.68Å; D213-R215 PolarHBondContact OD2-NH2 3.26Å; D213-I216 HydrophobicContact CB-CD1 3.9Å; D213-I216 HydrophobicContact CB-CG1 4.03Å; D213-I216 WeakPolarHBondContact O-CB 3.43Å; D213-I216 PolarHBondContact O-N 2.93Å
214E88.7Confident93.3Very high141 Ų14177.6 Ų77.666%0.65938%0.378SS*.THydrogen-bonded Turntrans-60.6-16.3-176.5-64.4-168.716200113.6R209 S210 I216R209-E214 VanDerWaalsContact CD-O 3.27Å; R209-E214 WeakPolarHBondContact CD-O 3.39Å; R209-E214 PolarHBondContact NH1-O 2.98Å; S210-E214 PolarHBondContact O-N 3.27Å; E214-I216 PolarHBondContact O-N 2.89Å
215R88Confident93.3Very high206 Ų20677.5 Ų77.578%0.77738%0.378SS*.THydrogen-bonded Turntrans-72.6-20.2176.1-57.3174.3-65.3178.22.5112D213D213-R215 PolarHBondContact O-N 2.83Å; D213-R215 WeakPolarHBondContact OD1-CB 3.27Å; D213-R215 WeakPolarHBondContact OD1-CG 3.42Å; D213-R215 IonicContact OD1-CZ 3.83Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 3.54Å; D213-R215 PolarHBondContact OD1-NE 2.83Å; D213-R215 IonicContact OD1-NH2 2.76Å; D213-R215 IonicContact OD2-CZ 2.85Å; D213-R215 IonicContact OD2-NE 2.6Å; D213-R215 PolarHBondContact OD2-NE 2.93Å; D213-R215 IonicContact OD2-NH2 2.68Å; D213-R215 PolarHBondContact OD2-NH2 3.26Å
216I90.5Very high93.2Very high64 Ų6479.7 Ų79.733%0.32839%0.386SS..PPolyproline II helixtrans-86.2121-179.9-56.7179.3000109.3R209 S210 D213 E214 L218R209-I216 WeakPolarHBondContact CA-O 3.45Å; S210-I216 PolarHBondContact N-O 3.06Å; D213-I216 HydrophobicContact CB-CD1 3.9Å; D213-I216 HydrophobicContact CB-CG1 4.03Å; D213-I216 WeakPolarHBondContact O-CB 3.43Å; D213-I216 PolarHBondContact O-N 2.93Å; E214-I216 PolarHBondContact O-N 2.89Å; I216-L218 HydrophobicContact CG2-CD2 3.7Å; I216-L218 HydrophobicContact CG2-CG 4.43Å
217V93.1Very high93.2Very high27 Ų2781.6 Ų81.616%0.16440%0.397CS..EExtended strand (participates in β ladder)trans-93.7117.1172.4178.80000108.9L178 K207L178-V217 HydrophobicContact CB-CB 4.15Å; L178-V217 HydrophobicContact CB-CG1 4.49Å; L178-V217 PolarHBondContact N-O 3.41Å; K207-V217 HydrophobicContact CD-CG1 4.24Å; K207-V217 HydrophobicContact CG-CG1 3.65Å
218L94.7Very high93.2Very high24 Ų2480.6 Ų80.613%0.12640%0.397CS..EExtended strand (participates in β ladder)trans-96140.1179.5-57.9179000110.3I175 L176 K207 E208 I216I175-L218 HydrophobicContact CG2-CB 3.72Å; I175-L218 HydrophobicContact CG2-CD1 4.17Å; I175-L218 HydrophobicContact CG2-CD2 3.87Å; I175-L218 HydrophobicContact CG2-CG 4.12Å; L176-L218 CarbonylContact O-C 3.3Å; K207-L218 WeakPolarHBondContact CA-O 3.47Å; E208-L218 HydrophobicContact CG-CB 3.89Å; E208-L218 HydrophobicContact CG-CD1 4.4Å; E208-L218 PolarHBondContact N-O 2.86Å; E208-L218 PolarHBondContact O-N 2.92Å; I216-L218 HydrophobicContact CG2-CD2 3.7Å; I216-L218 HydrophobicContact CG2-CG 4.43Å
219I95.6Very high93.2Very high0 Ų077.3 Ų77.30%038%0.382CS..EExtended strand (participates in β ladder)trans-132121.8-176.5-57.4172.3000108.3I168 L176 L178 L181 V196 L205 I206I168-I219 HydrophobicContact CD1-CG2 3.53Å; I168-I219 HydrophobicContact CG1-CG2 4.11Å; L176-I219 PolarHBondContact N-O 3.49Å; L176-I219 PolarHBondContact O-N 3.12Å; L178-I219 HydrophobicContact CB-CD1 4.33Å; L178-I219 HydrophobicContact CD1-CD1 3.94Å; L181-I219 HydrophobicContact CD1-CD1 3.32Å; L181-I219 HydrophobicContact CG-CD1 4.18Å; V196-I219 HydrophobicContact CG1-CD1 3.76Å; V196-I219 HydrophobicContact CG1-CG1 4.19Å; V196-I219 HydrophobicContact CG2-CD1 3.9Å; L205-I219 HydrophobicContact CD1-CG2 4.34Å; L205-I219 HydrophobicContact CD2-CG2 4.12Å; I206-I219 WeakPolarHBondContact O-CA 3.5Å
220K94.6Very high93.3Very high58 Ų5873.7 Ų73.725%0.25237%0.371SS..EExtended strand (participates in β ladder)trans-143.5167.5-179.267.1-171.2179.8-163.40111.8I175 I206 E208I175-K220 HydrophobicContact CG1-CB 4.44Å; I175-K220 HydrophobicContact CG1-CD 4.46Å; I206-K220 HydrophobicContact CB-CG 3.87Å; I206-K220 HydrophobicContact CD1-CG 4.35Å; I206-K220 HydrophobicContact CG2-CG 4.18Å; I206-K220 PolarHBondContact N-O 2.92Å; I206-K220 PolarHBondContact O-N 3.19Å; E208-K220 WeakPolarHBondContact OE1-CE 3.42Å; E208-K220 IonicContact OE1-NZ 2.65Å; E208-K220 PolarHBondContact OE1-NZ 2.95Å; E208-K220 WeakPolarHBondContact OE2-CE 3.49Å; E208-K220 IonicContact OE2-NZ 2.84Å; E208-K220 PolarHBondContact OE2-NZ 3.05Å
221I95.7Very high93.4Very high20 Ų2075.9 Ų75.910%0.10339%0.386CS..  trans-131.9146.117254.3172.7000109.2I168 K172 L205 Q225 Y226 I229I168-I221 HydrophobicContact CG2-CB 4.31Å; I168-I221 HydrophobicContact CG2-CD1 3.98Å; I168-I221 HydrophobicContact CG2-CG1 3.84Å; I168-I221 HydrophobicContact CG2-CG2 3.67Å; K172-I221 HydrophobicContact CB-CD1 4.48Å; L205-I221 HydrophobicContact CB-CG2 4.15Å; I221-Q225 HydrophobicContact CB-CB 3.87Å; I221-Q225 HydrophobicContact CG2-CB 3.8Å; I221-Y226 HydrophobicContact CD1-CD2 3.88Å; I221-I229 HydrophobicContact CD1-CD1 4.08Å; I221-I229 HydrophobicContact CG2-CD1 4.02Å
222N94Very high93.6Very high71 Ų7167.3 Ų67.338%0.3834%0.341SS..  trans-104.7-173.5167.674.832.8000110.4I224 Q225 Y226N222-I224 VanDerWaalsContact C-N 3.25Å; N222-I224 PolarHBondContact O-N 3.45Å; N222-I224 WeakPolarHBondContact OD1-CA 3.42Å; N222-I224 VanDerWaalsContact OD1-CB 3.25Å; N222-I224 WeakPolarHBondContact OD1-CB 3.46Å; N222-I224 PolarHBondContact OD1-N 2.86Å; N222-Q225 PolarHBondContact ND2-OE1 2.85Å; N222-Q225 PolarHBondContact O-N 3.09Å; N222-Q225 PolarHBondContact OD1-N 3.12Å; N222-Q225 PolarHBondContact OD1-OE1 2.89Å; N222-Y226 WeakPolarHBondContact O-CB 3.35Å; N222-Y226 PolarHBondContact O-N 2.9Å
223K93.3Very high93.9Very high169 Ų16962.6 Ų62.674%0.73530%0.302SS*.Hα-helixtrans-55.6-36.9-179.7-170.4175.8-179.9-179.80113.4N227K223-N227 WeakPolarHBondContact O-CB 3.4Å; K223-N227 PolarHBondContact O-N 3.29Å; K223-N227 PolarHBondContact O-ND2 3.3Å
224I94Very high94.1Very high119 Ų11962.4 Ų62.461%0.6130%0.302SS*.Hα-helixtrans-66-54.2179.3-57.8173.1000109.7N222 Y226 N227 T228N222-I224 VanDerWaalsContact C-N 3.25Å; N222-I224 PolarHBondContact O-N 3.45Å; N222-I224 WeakPolarHBondContact OD1-CA 3.42Å; N222-I224 VanDerWaalsContact OD1-CB 3.25Å; N222-I224 WeakPolarHBondContact OD1-CB 3.46Å; N222-I224 PolarHBondContact OD1-N 2.86Å; I224-Y226 VanDerWaalsContact C-N 3.3Å; I224-Y226 PolarHBondContact O-N 3.33Å; I224-N227 PolarHBondContact O-N 3.05Å; I224-T228 PolarHBondContact O-N 3.32Å; I224-T228 VanDerWaalsContact O-N 3.13Å; I224-T228 PolarHBondContact O-OG1 2.94Å
225Q95.4Very high94.4Very high21 Ų2157 Ų5710%0.09828%0.278CS..Hα-helixtrans-62.4-39.7178.5-70.589.428.100111.9G203 M204 I221 N222 N227 T228 I229G203-Q225 VanDerWaalsContact O-CG 3.31Å; G203-Q225 WeakPolarHBondContact O-CG 3.34Å; M204-Q225 WeakPolarHBondContact O-CB 3.49Å; I221-Q225 HydrophobicContact CB-CB 3.87Å; I221-Q225 HydrophobicContact CG2-CB 3.8Å; N222-Q225 PolarHBondContact ND2-OE1 2.85Å; N222-Q225 PolarHBondContact O-N 3.09Å; N222-Q225 PolarHBondContact OD1-N 3.12Å; N222-Q225 PolarHBondContact OD1-OE1 2.89Å; Q225-N227 VanDerWaalsContact C-N 3.31Å; Q225-N227 PolarHBondContact O-N 3.45Å; Q225-T228 WeakPolarHBondContact O-CB 3.49Å; Q225-T228 PolarHBondContact O-N 3.12Å; Q225-I229 VanDerWaalsContact O-CG1 3.3Å; Q225-I229 WeakPolarHBondContact O-CG1 3.41Å; Q225-I229 PolarHBondContact O-N 3.46Å
226Y94.9Very high94.8Very high49 Ų4947.2 Ų47.219%0.19224%0.241CC..Hα-helixtrans-59.6-41.1176.9-174.6-96.6000112.2M1 K172 I221 N222 I224 I229 K230M1-Y226 PolarHBondContact N-OH 2.7Å; M1-Y226 VanDerWaalsContact N-OH 3.11Å; K172-Y226 HydrophobicContact CB-CD2 4.22Å; K172-Y226 HydrophobicContact CB-CE2 4.21Å; K172-Y226 HydrophobicContact CD-CE2 4.34Å; I221-Y226 HydrophobicContact CD1-CD2 3.88Å; N222-Y226 WeakPolarHBondContact O-CB 3.35Å; N222-Y226 PolarHBondContact O-N 2.9Å; I224-Y226 VanDerWaalsContact C-N 3.3Å; I224-Y226 PolarHBondContact O-N 3.33Å; Y226-I229 PolarHBondContact O-N 2.76Å; Y226-K230 WeakPolarHBondContact O-CB 3.31Å; Y226-K230 PolarHBondContact O-N 3.35Å
227N94.3Very high95Very high86 Ų8644.6 Ų44.646%0.4623%0.228SC..Hα-helixtrans-64.8-40.6175.8-73.6-21.6000112.2K223 I224 Q225 K230 S231K223-N227 WeakPolarHBondContact O-CB 3.4Å; K223-N227 PolarHBondContact O-N 3.29Å; K223-N227 PolarHBondContact O-ND2 3.3Å; I224-N227 PolarHBondContact O-N 3.05Å; Q225-N227 VanDerWaalsContact C-N 3.31Å; Q225-N227 PolarHBondContact O-N 3.45Å; N227-K230 PolarHBondContact O-N 2.85Å; N227-S231 PolarHBondContact O-N 3.04Å
228T95.2Very high94.9Very high57 Ų5749.1 Ų49.135%0.3525%0.246SC..Hα-helixtrans-61-47.5174.2-58.60000111.5I224 Q225 K230 S231 I232I224-T228 PolarHBondContact O-N 3.32Å; I224-T228 VanDerWaalsContact O-N 3.13Å; I224-T228 PolarHBondContact O-OG1 2.94Å; Q225-T228 WeakPolarHBondContact O-CB 3.49Å; Q225-T228 PolarHBondContact O-N 3.12Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 3.11Å; T228-S231 WeakPolarHBondContact O-CB 3.22Å; T228-S231 PolarHBondContact O-N 3.39Å; T228-I232 HydrophobicContact CG2-CD1 4.16Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 2.82Å; T228-I232 VanDerWaalsContact O-N 3.11Å
229I96.1Very high94.8Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-61-43.8177.4-64.4166.2000110.5M1 L165 I221 Q225 Y226 S231 I232 F233M1-I229 HydrophobicContact CE-CG2 4.44Å; L165-I229 HydrophobicContact CB-CD1 4.44Å; L165-I229 HydrophobicContact CB-CG1 4.33Å; L165-I229 HydrophobicContact CB-CG2 4.24Å; L165-I229 HydrophobicContact CD1-CG1 4.38Å; L165-I229 HydrophobicContact CD2-CD1 3.91Å; L165-I229 HydrophobicContact CD2-CG1 3.97Å; L165-I229 HydrophobicContact CG-CG1 4.44Å; I221-I229 HydrophobicContact CD1-CD1 4.08Å; I221-I229 HydrophobicContact CG2-CD1 4.02Å; Q225-I229 VanDerWaalsContact O-CG1 3.3Å; Q225-I229 WeakPolarHBondContact O-CG1 3.41Å; Q225-I229 PolarHBondContact O-N 3.46Å; Y226-I229 PolarHBondContact O-N 2.76Å; I229-S231 VanDerWaalsContact C-N 3.3Å; I229-S231 PolarHBondContact O-N 2.87Å; I229-I232 PolarHBondContact O-N 3.3Å; I229-F233 HydrophobicContact CG2-CD1 3.95Å; I229-F233 HydrophobicContact CG2-CD2 4.39Å; I229-F233 HydrophobicContact CG2-CE1 3.58Å; I229-F233 HydrophobicContact CG2-CE2 4.02Å; I229-F233 HydrophobicContact CG2-CG 4.32Å; I229-F233 HydrophobicContact CG2-CZ 3.59Å; I229-F233 WeakPolarHBondContact O-CD1 3.38Å; I229-F233 PolarHBondContact O-N 3.47Å
230K95.1Very high94.5Very high87 Ų8751 Ų5138%0.37826%0.256SS..Hα-helixtrans-56.9-42.7176.3-176.4-175.3174.4-1710112M1 Y226 N227 T228 F233 T234M1-K230 HydrophobicContact CB-CG 4.3Å; M1-K230 HydrophobicContact CE-CB 4.15Å; M1-K230 HydrophobicContact CE-CG 4.47Å; M1-K230 HydrophobicContact CG-CG 4.16Å; Y226-K230 WeakPolarHBondContact O-CB 3.31Å; Y226-K230 PolarHBondContact O-N 3.35Å; N227-K230 PolarHBondContact O-N 2.85Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 3.11Å; K230-F233 PolarHBondContact O-N 3.12Å; K230-T234 WeakPolarHBondContact O-CB 3.35Å; K230-T234 PolarHBondContact O-N 2.84Å; K230-T234 PolarHBondContact O-OG1 2.83Å
231S95Very high93.8Very high66 Ų6655.2 Ų55.246%0.46227%0.274SS..Hα-helixtrans-62.2-48.5176.7-174.90000111.8N227 T228 I229 F233 T234 D235N227-S231 PolarHBondContact O-N 3.04Å; T228-S231 WeakPolarHBondContact O-CB 3.22Å; T228-S231 PolarHBondContact O-N 3.39Å; I229-S231 VanDerWaalsContact C-N 3.3Å; I229-S231 PolarHBondContact O-N 2.87Å; S231-F233 VanDerWaalsContact C-N 3.31Å; S231-F233 PolarHBondContact O-N 3.14Å; S231-T234 PolarHBondContact O-N 3.4Å; S231-D235 PolarHBondContact O-N 3.42Å
232I96.4Very high92.7Very high5 Ų559.8 Ų59.83%0.02631%0.305CS..Hα-helixtrans-58-44.2177.5-65.2162.6000111.1F155 L157 L162 L165 M204 T228 I229 D235 T236F155-I232 HydrophobicContact CD1-CG1 3.99Å; F155-I232 HydrophobicContact CD2-CG2 4.04Å; F155-I232 HydrophobicContact CE1-CG1 4.08Å; F155-I232 HydrophobicContact CE2-CG2 4.05Å; F155-I232 HydrophobicContact CG-CG1 4.36Å; F155-I232 HydrophobicContact CG-CG2 4.36Å; F155-I232 HydrophobicContact CZ-CG2 4.4Å; L157-I232 HydrophobicContact CD1-CD1 3.95Å; L157-I232 HydrophobicContact CD1-CG2 4.27Å; L162-I232 HydrophobicContact CD1-CG2 4.11Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; M204-I232 HydrophobicContact CE-CD1 3.99Å; M204-I232 HydrophobicContact SD-CD1 4.29Å; T228-I232 HydrophobicContact CG2-CD1 4.16Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 2.82Å; T228-I232 VanDerWaalsContact O-N 3.11Å; I229-I232 PolarHBondContact O-N 3.3Å; I232-D235 PolarHBondContact O-N 2.95Å; I232-T236 VanDerWaalsContact O-CB 3.3Å; I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 3.2Å; I232-T236 PolarHBondContact O-OG1 2.55Å
233F96.9Very high92.1Very high0 Ų061.2 Ų61.20%031%0.305CS..Hα-helixtrans-70.3-38.9-177.3-76.622000111.1M1 T5 F6 V9 L162 L165 Y166 I229 K230 S231 D235 T236 S237M1-F233 HydrophobicContact CE-CB 4.1Å; M1-F233 HydrophobicContact CE-CD2 3.48Å; M1-F233 VanDerWaalsContact CE-CD2 3.48Å; M1-F233 HydrophobicContact CE-CE2 4.09Å; M1-F233 HydrophobicContact CE-CG 4Å; M1-F233 HydrophobicContact SD-CB 3.69Å; M1-F233 HydrophobicContact SD-CD2 3.4Å; M1-F233 WeakPolarHBondContact SD-CD2 3.36Å; M1-F233 HydrophobicContact SD-CE2 4.38Å; M1-F233 HydrophobicContact SD-CG 3.98Å; T5-F233 HydrophobicContact CG2-CB 3.85Å; T5-F233 WeakPolarHBondContact CG2-O 3.45Å; F6-F233 HydrophobicContact CD2-CD2 4.44Å; F6-F233 HydrophobicContact CD2-CE2 4.4Å; F6-F233 HydrophobicContact CE2-CE2 4.4Å; V9-F233 HydrophobicContact CB-CD2 4.27Å; V9-F233 HydrophobicContact CG1-CD2 4.15Å; V9-F233 HydrophobicContact CG1-CE1 4.48Å; V9-F233 HydrophobicContact CG1-CE2 4.08Å; V9-F233 HydrophobicContact CG1-CG 4.44Å; V9-F233 HydrophobicContact CG1-CZ 4.26Å; V9-F233 HydrophobicContact CG2-CB 4.01Å; V9-F233 HydrophobicContact CG2-CD2 4.06Å; V9-F233 HydrophobicContact CG2-CG 3.96Å; L162-F233 HydrophobicContact CD1-CD1 3.83Å; L162-F233 HydrophobicContact CD1-CE1 3.52Å; L162-F233 HydrophobicContact CD1-CZ 4.49Å; L162-F233 HydrophobicContact CG-CE1 4.4Å; L165-F233 HydrophobicContact CB-CE1 4.14Å; L165-F233 HydrophobicContact CB-CZ 4.2Å; Y166-F233 AromaticContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CZ 4.45Å; I229-F233 HydrophobicContact CG2-CD1 3.95Å; I229-F233 HydrophobicContact CG2-CD2 4.39Å; I229-F233 HydrophobicContact CG2-CE1 3.58Å; I229-F233 HydrophobicContact CG2-CE2 4.02Å; I229-F233 HydrophobicContact CG2-CG 4.32Å; I229-F233 HydrophobicContact CG2-CZ 3.59Å; I229-F233 WeakPolarHBondContact O-CD1 3.38Å; I229-F233 PolarHBondContact O-N 3.47Å; K230-F233 PolarHBondContact O-N 3.12Å; S231-F233 VanDerWaalsContact C-N 3.31Å; S231-F233 PolarHBondContact O-N 3.14Å; F233-D235 PolarHBondContact O-N 3.27Å; F233-T236 PolarHBondContact O-N 3.25Å; F233-S237 VanDerWaalsContact O-CB 3.27Å; F233-S237 WeakPolarHBondContact O-CB 3.48Å; F233-S237 PolarHBondContact O-N 2.97Å; F233-S237 PolarHBondContact O-OG 3.41Å
234T95.6Very high91.2Very high40 Ų4062.7 Ų62.725%0.24531%0.311CS..Hα-helixtrans-58.8-50.5175.7-570000110.2K230 S231 S237 K238K230-T234 WeakPolarHBondContact O-CB 3.35Å; K230-T234 PolarHBondContact O-N 2.84Å; K230-T234 PolarHBondContact O-OG1 2.83Å; S231-T234 PolarHBondContact O-N 3.4Å; T234-S237 PolarHBondContact O-N 3.01Å; T234-S237 PolarHBondContact O-OG 2.82Å; T234-K238 WeakPolarHBondContact O-CG 3.44Å; T234-K238 PolarHBondContact O-N 3.05Å
235D94.8Very high90.7Very high29 Ų2958.9 Ų58.916%0.15529%0.29CS..Hα-helixtrans-67.1-39.8179.2-85.64.5000112.8R154 F155 S231 I232 F233 K238R154-D235 IonicContact CZ-OD2 3.9Å; R154-D235 IonicContact NE-OD2 2.78Å; R154-D235 IonicContact NH2-OD2 2.75Å; R154-D235 PolarHBondContact NH2-OD2 3.35Å; F155-D235 HydrophobicContact CE2-CB 4.37Å; F155-D235 HydrophobicContact CZ-CB 3.63Å; S231-D235 PolarHBondContact O-N 3.42Å; I232-D235 PolarHBondContact O-N 2.95Å; F233-D235 PolarHBondContact O-N 3.27Å; D235-K238 PolarHBondContact O-N 3.44Å; D235-K238 IonicContact OD1-NZ 2.87Å; D235-K238 PolarHBondContact OD1-NZ 3.25Å
236T95.3Very high89.8Confident0 Ų059.7 Ų59.70%029%0.294CS..Hα-helixtrans-62.2-44.4174.5-55.90000110.5L151 L162 I232 F233 K238 I239 L240L151-T236 HydrophobicContact CD2-CG2 4.17Å; L162-T236 HydrophobicContact CD2-CG2 4.3Å; I232-T236 VanDerWaalsContact O-CB 3.3Å; I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 3.2Å; I232-T236 PolarHBondContact O-OG1 2.55Å; F233-T236 PolarHBondContact O-N 3.25Å; T236-K238 PolarHBondContact O-N 3.38Å; T236-I239 WeakPolarHBondContact O-CG1 3.36Å; T236-I239 PolarHBondContact O-N 3.3Å; T236-I239 VanDerWaalsContact O-N 3.11Å; T236-L240 HydrophobicContact CG2-CD1 4.24Å; T236-L240 HydrophobicContact CG2-CG 4.42Å; T236-L240 WeakPolarHBondContact O-CG 3.36Å; T236-L240 PolarHBondContact O-N 3.44Å
237S94.2Very high88.6Confident9 Ų959.6 Ų59.66%0.06329%0.294CS..Hα-helixtrans-61.8-27.7-179.180.30000113.9F233 T234 I239F233-S237 VanDerWaalsContact O-CB 3.27Å; F233-S237 WeakPolarHBondContact O-CB 3.48Å; F233-S237 PolarHBondContact O-N 2.97Å; F233-S237 PolarHBondContact O-OG 3.41Å; T234-S237 PolarHBondContact O-N 3.01Å; T234-S237 PolarHBondContact O-OG 2.82Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 3.19Å
238K92.5Very high88.3Confident122 Ų12258.3 Ų58.353%0.5329%0.286SS..Hα-helixtrans-67.4-32.7177.8-68.7168.9-169.3161.40112.2T234 D235 T236T234-K238 WeakPolarHBondContact O-CG 3.44Å; T234-K238 PolarHBondContact O-N 3.05Å; D235-K238 PolarHBondContact O-N 3.44Å; D235-K238 IonicContact OD1-NZ 2.87Å; D235-K238 PolarHBondContact OD1-NZ 3.25Å; T236-K238 PolarHBondContact O-N 3.38Å
239I91.3Very high87.9Confident22 Ų2258.3 Ų58.311%0.11328%0.283CS..Hα-helixtrans-89.3-16.5-177.369.5132.4000113.8Y146 F150 T236 S237 K241Y146-I239 HydrophobicContact CD1-CD1 4.35Å; Y146-I239 HydrophobicContact CE1-CD1 4.23Å; F150-I239 HydrophobicContact CB-CD1 3.6Å; F150-I239 HydrophobicContact CD1-CD1 3.51Å; F150-I239 HydrophobicContact CD1-CG1 3.84Å; F150-I239 HydrophobicContact CD1-CG2 4.44Å; F150-I239 HydrophobicContact CD2-CD1 4.34Å; F150-I239 HydrophobicContact CD2-CG2 4.03Å; F150-I239 HydrophobicContact CE1-CD1 4.24Å; F150-I239 HydrophobicContact CE1-CG1 4.06Å; F150-I239 HydrophobicContact CE1-CG2 4.2Å; F150-I239 HydrophobicContact CE2-CG2 3.77Å; F150-I239 HydrophobicContact CG-CD1 3.56Å; F150-I239 HydrophobicContact CG-CG1 4.16Å; F150-I239 HydrophobicContact CG-CG2 4.35Å; F150-I239 HydrophobicContact CZ-CG2 3.86Å; T236-I239 WeakPolarHBondContact O-CG1 3.36Å; T236-I239 PolarHBondContact O-N 3.3Å; T236-I239 VanDerWaalsContact O-N 3.11Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 3.19Å; I239-K241 PolarHBondContact O-N 3.43Å
240L89Confident87.5Confident41 Ų4161.6 Ų61.622%0.21530%0.298CS..  trans-73.622.2-178.5-67.1175.6000113.8K8 F12 T236K8-L240 HydrophobicContact CB-CD1 4.24Å; K8-L240 WeakPolarHBondContact O-CD1 3.43Å; F12-L240 HydrophobicContact CB-CD1 3.64Å; F12-L240 HydrophobicContact CB-CD2 3.85Å; F12-L240 HydrophobicContact CB-CG 4.41Å; F12-L240 HydrophobicContact CD1-CD1 4.41Å; F12-L240 HydrophobicContact CD1-CD2 4.13Å; F12-L240 HydrophobicContact CD2-CD2 3.64Å; F12-L240 HydrophobicContact CE2-CD2 4.18Å; F12-L240 HydrophobicContact CG-CD1 4.12Å; F12-L240 HydrophobicContact CG-CD2 3.62Å; T236-L240 HydrophobicContact CG2-CD1 4.24Å; T236-L240 HydrophobicContact CG2-CG 4.42Å; T236-L240 WeakPolarHBondContact O-CG 3.36Å; T236-L240 PolarHBondContact O-N 3.44Å
241K81Confident87Confident146 Ų14660.1 Ų60.164%0.63529%0.294SS*.SBendtrans-76.3134.7171.1-65.1-177.7-179.2-177.80108.5I239 R243I239-K241 PolarHBondContact O-N 3.43Å; K241-R243 PolarHBondContact O-N 2.91Å
242P72.9Confident86.5Confident116 Ų11659.7 Ų59.775%0.75328%0.283SS*.PPolyproline II helixtrans-55.2116.4177.3-23.732.6000110.6
243R81.7Confident85.9Confident101 Ų10163.3 Ų63.338%0.38130%0.3SS..PPolyproline II helixtrans-86.5132169.8-63.7179.2-178.6-100.6-2.9108.4N143 Y146 K241 F245N143-R243 PolarHBondContact ND2-O 3.36Å; N143-R243 WeakPolarHBondContact OD1-CB 3.06Å; N143-R243 PolarHBondContact OD1-N 2.95Å; Y146-R243 VanDerWaalsContact CE1-NE 3.31Å; Y146-R243 VanDerWaalsContact CZ-CZ 3.44Å; Y146-R243 PolarHBondContact OH-NH2 3.32Å; K241-R243 PolarHBondContact O-N 2.91Å; R243-F245 HydrophobicContact CB-CD2 4.49Å; R243-F245 HydrophobicContact CB-CE2 3.99Å; R243-F245 HydrophobicContact CB-CZ 4.02Å; R243-F245 PolarHBondContact O-N 2.96Å
244K74.5Confident85.1Confident200 Ų20067.9 Ų67.987%0.8732%0.322SS*.  trans-76.9110164-64.7-173.8179.6-1770106.4
245F81.7Confident84.3Confident39 Ų3970 Ų7017%0.17133%0.328CS..  trans-81.4-157.9168.2-67.5-75.3000108.5L61 M142 N143 R243 F247L61-F245 HydrophobicContact CD1-CD1 4.43Å; L61-F245 HydrophobicContact CD1-CE1 3.53Å; L61-F245 HydrophobicContact CD1-CZ 3.81Å; L61-F245 HydrophobicContact CD2-CE1 4.47Å; L61-F245 HydrophobicContact CG-CE1 4.11Å; M142-F245 HydrophobicContact CB-CD1 4.29Å; M142-F245 HydrophobicContact CB-CD2 3.42Å; M142-F245 VanDerWaalsContact CB-CD2 3.42Å; M142-F245 HydrophobicContact CB-CE1 4.25Å; M142-F245 HydrophobicContact CB-CE2 3.34Å; M142-F245 HydrophobicContact CB-CG 3.91Å; M142-F245 HydrophobicContact CB-CZ 3.78Å; M142-F245 HydrophobicContact CE-CD1 3.87Å; M142-F245 HydrophobicContact CE-CE1 4.26Å; M142-F245 HydrophobicContact CE-CG 4.16Å; M142-F245 HydrophobicContact CG-CD2 4.41Å; N143-F245 HydrophobicContact CB-CE2 4.31Å; R243-F245 HydrophobicContact CB-CD2 4.49Å; R243-F245 HydrophobicContact CB-CE2 3.99Å; R243-F245 HydrophobicContact CB-CZ 4.02Å; R243-F245 PolarHBondContact O-N 2.96Å; F245-F247 HydrophobicContact CB-CD2 4.26Å; F245-F247 PolarHBondContact O-N 3.14Å
246F77.8Confident83.4Confident38 Ų3873.4 Ų73.417%0.16734%0.342CS..  trans-61.55177.462.1-98.6000115.7L38 Y42 D59 I60 M142L38-F246 HydrophobicContact CD1-CE1 4.48Å; L38-F246 HydrophobicContact CD1-CZ 3.91Å; Y42-F246 HydrophobicContact CD2-CB 4.14Å; Y42-F246 AromaticContact CD2-CD1 3.69Å; Y42-F246 HydrophobicContact CD2-CD1 3.69Å; Y42-F246 AromaticContact CD2-CD2 3.27Å; Y42-F246 HydrophobicContact CD2-CD2 3.27Å; Y42-F246 AromaticContact CD2-CE1 3.82Å; Y42-F246 HydrophobicContact CD2-CE1 3.82Å; Y42-F246 AromaticContact CD2-CE2 3.44Å; Y42-F246 HydrophobicContact CD2-CE2 3.44Å; Y42-F246 VanDerWaalsContact CD2-CE2 3.44Å; Y42-F246 AromaticContact CD2-CG 3.41Å; Y42-F246 HydrophobicContact CD2-CG 3.41Å; Y42-F246 VanDerWaalsContact CD2-CG 3.41Å; Y42-F246 AromaticContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CE2-CB 3.81Å; Y42-F246 HydrophobicContact CE2-CD1 4.01Å; Y42-F246 AromaticContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CE2 4.43Å; Y42-F246 AromaticContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CG-CD2 4.19Å; Y42-F246 HydrophobicContact CG-CE2 4.04Å; Y42-F246 HydrophobicContact CG-CZ 4.34Å; D59-F246 HydrophobicContact CB-CB 4.21Å; D59-F246 HydrophobicContact CB-CD1 4Å; D59-F246 HydrophobicContact CB-CG 4.41Å; I60-F246 HydrophobicContact CG1-CE1 4.1Å; M142-F246 HydrophobicContact CE-CE1 4.14Å
247F69.1Low82.3Confident47 Ų4780.1 Ų80.121%0.20637%0.373CS..  trans-89.10-177.9-70.8-71000112.1L38 A41 Y45 K135 F138 I139 F245L38-F247 HydrophobicContact CD1-CE2 4.45Å; L38-F247 HydrophobicContact CD1-CZ 4.11Å; A41-F247 HydrophobicContact CB-CE1 4.48Å; Y45-F247 AromaticContact CD2-CD1 3.75Å; Y45-F247 HydrophobicContact CD2-CD1 3.75Å; Y45-F247 AromaticContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CE2-CD1 4.37Å; Y45-F247 AromaticContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CG-CD1 4.12Å; Y45-F247 HydrophobicContact CG-CE1 4.31Å; K135-F247 WeakPolarHBondContact CE-OXT 3.34Å; K135-F247 HydrophobicContact CG-CB 4.13Å; K135-F247 HydrophobicContact CG-CD1 3.72Å; K135-F247 HydrophobicContact CG-CE1 4.46Å; K135-F247 HydrophobicContact CG-CG 4.15Å; K135-F247 PolarHBondContact NZ-OXT 3.19Å; F138-F247 HydrophobicContact CB-CE1 4.12Å; F138-F247 HydrophobicContact CB-CE2 3.56Å; F138-F247 HydrophobicContact CB-CZ 3.18Å; F138-F247 HydrophobicContact CD2-CZ 4.26Å; F138-F247 HydrophobicContact CG-CZ 4.05Å; I139-F247 HydrophobicContact CB-CD2 4.45Å; I139-F247 HydrophobicContact CD1-CB 3.75Å; I139-F247 HydrophobicContact CD1-CD2 4.29Å; I139-F247 HydrophobicContact CD1-CG 4.18Å; I139-F247 HydrophobicContact CG1-CB 3.75Å; I139-F247 HydrophobicContact CG1-CD2 3.35Å; I139-F247 HydrophobicContact CG1-CE2 4.11Å; I139-F247 HydrophobicContact CG1-CG 3.73Å; F245-F247 HydrophobicContact CB-CD2 4.26Å; F245-F247 PolarHBondContact O-N 3.14Å

Retrieved 247 of 247 residues in 558.4 ms (Link to these results)

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