A0A077ZG23_TRITR Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A077ZG23, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.3Low74.1Confident152 Ų15274.4 Ų74.475%0.74937%0.373SS*.  0-177.80-69.1169.3-153.100107.9Y5 N247M1-Y5 HydrophobicContact CB-CD1 4.43Å; M1-Y5 HydrophobicContact CB-CG 4.48Å; M1-Y5 HydrophobicContact CG-CD1 4.28Å; M1-Y5 HydrophobicContact SD-CD1 3.3Å; M1-Y5 WeakPolarHBondContact SD-CD1 3.42Å; M1-Y5 HydrophobicContact SD-CE1 3.53Å; M1-Y5 VanDerWaalsContact SD-CE1 3.53Å; M1-Y5 HydrophobicContact SD-CG 4.1Å; M1-N247 VanDerWaalsContact C-CG 3.49Å; M1-N247 VanDerWaalsContact C-OD1 3.3Å; M1-N247 WeakPolarHBondContact CA-OD1 3.25Å; M1-N247 PolarHBondContact N-OD1 3.33Å; M1-N247 PolarHBondContact O-ND2 3.12Å; M1-N247 PolarHBondContact O-OD1 3.27Å
2S60.1Low75.5Confident61 Ų6173.6 Ų73.643%0.42737%0.371SS..  trans-90.2154.816355.20000108.8S4 Y5S2-S4 PolarHBondContact O-N 3.14Å; S2-S4 VanDerWaalsContact O-N 3.08Å; S2-S4 PolarHBondContact OG-OG 3.03Å; S2-Y5 WeakPolarHBondContact O-CB 3.42Å; S2-Y5 PolarHBondContact O-N 3.2Å; S2-Y5 PolarHBondContact OG-N 2.72Å
3L62.6Low76.8Confident63 Ų6369.5 Ų69.533%0.3335%0.35SS..Hα-helixtrans-52.7-26.7166.7-90.6171.5000112.3Y5 H7 L246 N247 V283L3-Y5 VanDerWaalsContact C-N 3.31Å; L3-Y5 PolarHBondContact O-N 3.49Å; L3-H7 PolarHBondContact O-N 2.84Å; L3-L246 HydrophobicContact CD1-CB 4Å; L3-L246 HydrophobicContact CD1-CD1 3.81Å; L3-L246 HydrophobicContact CD2-CB 3.67Å; L3-L246 WeakPolarHBondContact CD2-O 3.21Å; L3-L246 HydrophobicContact CG-CB 3.94Å; L3-N247 HydrophobicContact CD2-CB 4.36Å; L3-N247 PolarHBondContact N-ND2 3.39Å; L3-V283 HydrophobicContact CD2-CB 4.49Å; L3-V283 HydrophobicContact CD2-CG2 4.06Å
4S67.3Low78Confident57 Ų5768.8 Ų68.840%0.39935%0.345SS..Hα-helixtrans-62.1-36.1175.781.40000112.3S2 I6 H7 E8S2-S4 PolarHBondContact O-N 3.14Å; S2-S4 VanDerWaalsContact O-N 3.08Å; S2-S4 PolarHBondContact OG-OG 3.03Å; S4-I6 PolarHBondContact O-N 2.86Å; S4-H7 PolarHBondContact O-N 2.79Å; S4-E8 VanDerWaalsContact CB-OE1 3.25Å; S4-E8 WeakPolarHBondContact CB-OE1 3.5Å; S4-E8 WeakPolarHBondContact O-CB 3.48Å; S4-E8 WeakPolarHBondContact O-CG 3.13Å; S4-E8 PolarHBondContact O-N 3.18Å; S4-E8 PolarHBondContact OG-OE1 3.21Å
5Y70.6Confident79.1Confident121 Ų12176.3 Ų76.348%0.47538%0.375SS..Hα-helixtrans-65-42.4-176.8-179.2-96.9000113.8M1 S2 L3 E8 S9M1-Y5 HydrophobicContact CB-CD1 4.43Å; M1-Y5 HydrophobicContact CB-CG 4.48Å; M1-Y5 HydrophobicContact CG-CD1 4.28Å; M1-Y5 HydrophobicContact SD-CD1 3.3Å; M1-Y5 WeakPolarHBondContact SD-CD1 3.42Å; M1-Y5 HydrophobicContact SD-CE1 3.53Å; M1-Y5 VanDerWaalsContact SD-CE1 3.53Å; M1-Y5 HydrophobicContact SD-CG 4.1Å; S2-Y5 WeakPolarHBondContact O-CB 3.42Å; S2-Y5 PolarHBondContact O-N 3.2Å; S2-Y5 PolarHBondContact OG-N 2.72Å; L3-Y5 VanDerWaalsContact C-N 3.31Å; L3-Y5 PolarHBondContact O-N 3.49Å; Y5-E8 PolarHBondContact O-N 3.07Å; Y5-S9 WeakPolarHBondContact O-CB 2.99Å; Y5-S9 PolarHBondContact O-N 3.05Å; Y5-S9 PolarHBondContact O-OG 3.04Å
6I76.4Confident80Confident4 Ų479.1 Ų79.12%0.02138%0.384CS..Hα-helixtrans-66.9-44.7177-64.8-165.6000110S4 E8 S9 F10 N247 F249 W276 L280S4-I6 PolarHBondContact O-N 2.86Å; I6-E8 VanDerWaalsContact C-N 3.28Å; I6-E8 PolarHBondContact O-N 3.25Å; I6-S9 PolarHBondContact O-N 2.72Å; I6-F10 PolarHBondContact O-N 3.41Å; I6-N247 HydrophobicContact CD1-CB 3.93Å; I6-N247 WeakPolarHBondContact CD1-O 3.45Å; I6-N247 HydrophobicContact CG1-CB 4.23Å; I6-F249 HydrophobicContact CB-CZ 4.39Å; I6-F249 HydrophobicContact CD1-CD1 3.33Å; I6-F249 HydrophobicContact CD1-CD2 3.98Å; I6-F249 HydrophobicContact CD1-CE1 3.13Å; I6-F249 HydrophobicContact CD1-CE2 3.79Å; I6-F249 HydrophobicContact CD1-CG 3.79Å; I6-F249 HydrophobicContact CD1-CZ 3.39Å; I6-F249 HydrophobicContact CG1-CE1 4.47Å; I6-F249 HydrophobicContact CG1-CZ 4.43Å; I6-F249 HydrophobicContact CG2-CE1 4.06Å; I6-F249 HydrophobicContact CG2-CE2 3.68Å; I6-F249 HydrophobicContact CG2-CZ 3.32Å; I6-W276 HydrophobicContact CG2-CE3 4.17Å; I6-W276 HydrophobicContact CG2-CH2 4.42Å; I6-W276 HydrophobicContact CG2-CZ3 3.55Å; I6-W276 WeakPolarHBondContact O-CZ3 3.34Å; I6-L280 HydrophobicContact CG2-CD2 3.88Å
7H80.5Confident80.9Confident79 Ų7985.2 Ų85.237%0.36641%0.409SS..Hα-helixtrans-64.6-35.7178-165.774.7000111.8L3 S4 K11L3-H7 PolarHBondContact O-N 2.84Å; S4-H7 PolarHBondContact O-N 2.79Å; H7-K11 VanDerWaalsContact CD2-CE 3.43Å; H7-K11 WeakPolarHBondContact CD2-CE 3.23Å; H7-K11 PolarHBondContact CD2-NZ 3.21Å; H7-K11 WeakPolarHBondContact NE2-CE 2.97Å; H7-K11 PolarHBondContact NE2-NZ 3.28Å; H7-K11 VanDerWaalsContact O-CB 3.29Å; H7-K11 WeakPolarHBondContact O-CB 3.29Å; H7-K11 VanDerWaalsContact O-CG 3.25Å; H7-K11 WeakPolarHBondContact O-CG 3.32Å; H7-K11 PolarHBondContact O-N 3.45Å
8E82Confident81.7Confident107 Ų10784.8 Ų84.850%0.541%0.407SS..Hα-helixtrans-66.1-44.2172.4-77.1162.3-145.400111.5S4 Y5 I6 F10 K11 D12S4-E8 VanDerWaalsContact CB-OE1 3.25Å; S4-E8 WeakPolarHBondContact CB-OE1 3.5Å; S4-E8 WeakPolarHBondContact O-CB 3.48Å; S4-E8 WeakPolarHBondContact O-CG 3.13Å; S4-E8 PolarHBondContact O-N 3.18Å; S4-E8 PolarHBondContact OG-OE1 3.21Å; Y5-E8 PolarHBondContact O-N 3.07Å; I6-E8 VanDerWaalsContact C-N 3.28Å; I6-E8 PolarHBondContact O-N 3.25Å; E8-F10 PolarHBondContact O-N 3.22Å; E8-K11 PolarHBondContact O-N 2.9Å; E8-D12 VanDerWaalsContact O-CB 3.29Å; E8-D12 WeakPolarHBondContact O-CB 3.34Å; E8-D12 PolarHBondContact O-N 3.24Å
9S85.2Confident82.4Confident30 Ų3081.7 Ų81.721%0.2139%0.391CS..Hα-helixtrans-60.4-47.1176.5-62.70000111.1Y5 I6 D12 I13Y5-S9 WeakPolarHBondContact O-CB 2.99Å; Y5-S9 PolarHBondContact O-N 3.05Å; Y5-S9 PolarHBondContact O-OG 3.04Å; I6-S9 PolarHBondContact O-N 2.72Å; S9-D12 PolarHBondContact O-N 2.7Å; S9-I13 VanDerWaalsContact O-CG1 3.26Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 3Å
10F90.3Very high83.1Confident24 Ų2482.6 Ų82.611%0.10540%0.395CS..Hα-helixtrans-59.3-49.3174-180-98000111.8I6 E8 D12 I13 E14 W19 R273 W276 K277 L280I6-F10 PolarHBondContact O-N 3.41Å; E8-F10 PolarHBondContact O-N 3.22Å; F10-D12 VanDerWaalsContact C-N 3.3Å; F10-D12 PolarHBondContact O-N 3.26Å; F10-I13 PolarHBondContact O-N 3.33Å; F10-E14 HydrophobicContact CD1-CG 4.02Å; F10-E14 HydrophobicContact CE1-CG 3.62Å; F10-E14 HydrophobicContact CE2-CG 4.41Å; F10-E14 HydrophobicContact CZ-CG 3.84Å; F10-E14 WeakPolarHBondContact O-CB 3.43Å; F10-E14 WeakPolarHBondContact O-CG 3.42Å; F10-E14 PolarHBondContact O-N 3.24Å; F10-W19 AromaticContact CD2-CH2 3.74Å; F10-W19 HydrophobicContact CD2-CH2 3.74Å; F10-W19 AromaticContact CD2-CZ2 3.69Å; F10-W19 HydrophobicContact CD2-CZ2 3.69Å; F10-W19 AromaticContact CE2-CH2 3.84Å; F10-W19 HydrophobicContact CE2-CH2 3.84Å; F10-W19 AromaticContact CE2-CZ2 3.52Å; F10-W19 HydrophobicContact CE2-CZ2 3.52Å; F10-W19 HydrophobicContact CZ-CZ2 4.39Å; F10-R273 HydrophobicContact CE2-CG 4.47Å; F10-W276 HydrophobicContact CB-CE3 3.76Å; F10-W276 HydrophobicContact CB-CZ3 4.01Å; F10-W276 HydrophobicContact CD2-CB 3.52Å; F10-W276 HydrophobicContact CD2-CD2 4.12Å; F10-W276 AromaticContact CD2-CE3 3.94Å; F10-W276 HydrophobicContact CD2-CE3 3.94Å; F10-W276 HydrophobicContact CD2-CG 4Å; F10-W276 HydrophobicContact CE2-CB 3.67Å; F10-W276 HydrophobicContact CG-CE3 4.31Å; F10-K277 HydrophobicContact CE2-CG 4.12Å; F10-K277 HydrophobicContact CZ-CG 3.82Å; F10-L280 HydrophobicContact CB-CD1 3.77Å; F10-L280 HydrophobicContact CD1-CD1 3.68Å; F10-L280 HydrophobicContact CD2-CD1 3.86Å; F10-L280 HydrophobicContact CE1-CD1 4.22Å; F10-L280 HydrophobicContact CE2-CD1 4.37Å; F10-L280 HydrophobicContact CG-CD1 3.48Å; F10-L280 VanDerWaalsContact CG-CD1 3.48Å
11K90.3Very high83.8Confident120 Ų12081 Ų8152%0.52240%0.395SS..Hα-helixtrans-60.9-37.4178.3-82.1176.8166.91670112.6H7 E8 K15H7-K11 VanDerWaalsContact CD2-CE 3.43Å; H7-K11 WeakPolarHBondContact CD2-CE 3.23Å; H7-K11 PolarHBondContact CD2-NZ 3.21Å; H7-K11 WeakPolarHBondContact NE2-CE 2.97Å; H7-K11 PolarHBondContact NE2-NZ 3.28Å; H7-K11 VanDerWaalsContact O-CB 3.29Å; H7-K11 WeakPolarHBondContact O-CB 3.29Å; H7-K11 VanDerWaalsContact O-CG 3.25Å; H7-K11 WeakPolarHBondContact O-CG 3.32Å; H7-K11 PolarHBondContact O-N 3.45Å; E8-K11 PolarHBondContact O-N 2.9Å; K11-K15 WeakPolarHBondContact O-CB 3.5Å; K11-K15 PolarHBondContact O-N 2.98Å
12D90.8Very high85.9Confident65 Ų6574.8 Ų74.835%0.34837%0.366SS..Hα-helixtrans-68.3-45.3178.7-167.854.4000111E8 S9 F10 E14 K15 K16E8-D12 VanDerWaalsContact O-CB 3.29Å; E8-D12 WeakPolarHBondContact O-CB 3.34Å; E8-D12 PolarHBondContact O-N 3.24Å; S9-D12 PolarHBondContact O-N 2.7Å; F10-D12 VanDerWaalsContact C-N 3.3Å; F10-D12 PolarHBondContact O-N 3.26Å; D12-E14 PolarHBondContact O-N 3.46Å; D12-K15 PolarHBondContact O-N 3.33Å; D12-K16 VanDerWaalsContact O-CB 3.3Å; D12-K16 WeakPolarHBondContact O-CB 3.24Å; D12-K16 WeakPolarHBondContact O-CG 3.48Å; D12-K16 PolarHBondContact O-N 3.49Å; D12-K16 WeakPolarHBondContact OD1-CD 3.48Å; D12-K16 WeakPolarHBondContact OD1-CE 3.22Å; D12-K16 IonicContact OD1-NZ 2.66Å; D12-K16 PolarHBondContact OD1-NZ 3.06Å; D12-K16 WeakPolarHBondContact OD2-CE 3.21Å; D12-K16 IonicContact OD2-NZ 2.67Å; D12-K16 PolarHBondContact OD2-NZ 3.33Å
13I92.4Very high87.7Confident20 Ų2072.2 Ų72.210%0.10335%0.347CS..Hα-helixtrans-61.2-44.8174.7-63.3163.8000110.8S9 F10 K17 M18 W19 V22S9-I13 VanDerWaalsContact O-CG1 3.26Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 3Å; F10-I13 PolarHBondContact O-N 3.33Å; I13-K17 WeakPolarHBondContact O-CA 3.31Å; I13-K17 PolarHBondContact O-N 3.17Å; I13-M18 HydrophobicContact CG2-CB 4.17Å; I13-M18 PolarHBondContact O-N 2.82Å; I13-W19 HydrophobicContact CB-CZ2 4.28Å; I13-W19 HydrophobicContact CD1-CH2 4.44Å; I13-W19 HydrophobicContact CD1-CZ3 4.47Å; I13-W19 HydrophobicContact CG2-CD2 3.45Å; I13-W19 VanDerWaalsContact CG2-CD2 3.45Å; I13-W19 VanDerWaalsContact CG2-CE2 3.46Å; I13-W19 HydrophobicContact CG2-CE3 3.77Å; I13-W19 HydrophobicContact CG2-CG 3.88Å; I13-W19 HydrophobicContact CG2-CH2 4.07Å; I13-W19 HydrophobicContact CG2-CZ2 3.79Å; I13-W19 HydrophobicContact CG2-CZ3 4.06Å; I13-V22 HydrophobicContact CD1-CG2 4.09Å; I13-V22 HydrophobicContact CG1-CG2 4.21Å; I13-V22 HydrophobicContact CG2-CG2 4.31Å
14E93.7Very high89.3Confident60 Ų6074.1 Ų74.128%0.2835%0.354SS..Hα-helixtrans-58.3-52.8175.4-76.4-69121.500111.4F10 D12 K16 K17 W19 R273F10-E14 HydrophobicContact CD1-CG 4.02Å; F10-E14 HydrophobicContact CE1-CG 3.62Å; F10-E14 HydrophobicContact CE2-CG 4.41Å; F10-E14 HydrophobicContact CZ-CG 3.84Å; F10-E14 WeakPolarHBondContact O-CB 3.43Å; F10-E14 WeakPolarHBondContact O-CG 3.42Å; F10-E14 PolarHBondContact O-N 3.24Å; D12-E14 PolarHBondContact O-N 3.46Å; E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 2.88Å; E14-K17 PolarHBondContact O-N 3.43Å; E14-W19 HydrophobicContact CG-CZ2 4.49Å; E14-W19 WeakPolarHBondContact OE1-CZ2 3.44Å; E14-W19 PolarHBondContact OE1-NE1 2.85Å; E14-R273 WeakPolarHBondContact OE1-CD 3.4Å; E14-R273 IonicContact OE1-CZ 2.72Å; E14-R273 IonicContact OE1-NE 3.65Å; E14-R273 PolarHBondContact OE1-NE 3.26Å; E14-R273 IonicContact OE1-NH2 2.72Å; E14-R273 PolarHBondContact OE1-NH2 2.87Å; E14-R273 IonicContact OE2-CZ 3.24Å; E14-R273 IonicContact OE2-NE 2.69Å; E14-R273 IonicContact OE2-NH2 2.86Å; E14-R273 PolarHBondContact OE2-NH2 2.94Å
15K93.8Very high90.7Very high181 Ų18177.2 Ų77.279%0.78736%0.36SS*.Hα-helixtrans-63.7-40.2-176-177-180177.8-176.70111.8K11 D12K11-K15 WeakPolarHBondContact O-CB 3.5Å; K11-K15 PolarHBondContact O-N 2.98Å; D12-K15 PolarHBondContact O-N 3.33Å
16K94.5Very high92Very high121 Ų12171.6 Ų71.653%0.52634%0.338SS..Hα-helixtrans-86.9-2.7-179.6-65.2176.2177.6160.30113.5D12 E14 M18D12-K16 VanDerWaalsContact O-CB 3.3Å; D12-K16 WeakPolarHBondContact O-CB 3.24Å; D12-K16 WeakPolarHBondContact O-CG 3.48Å; D12-K16 PolarHBondContact O-N 3.49Å; D12-K16 WeakPolarHBondContact OD1-CD 3.48Å; D12-K16 WeakPolarHBondContact OD1-CE 3.22Å; D12-K16 IonicContact OD1-NZ 2.66Å; D12-K16 PolarHBondContact OD1-NZ 3.06Å; D12-K16 WeakPolarHBondContact OD2-CE 3.21Å; D12-K16 IonicContact OD2-NZ 2.67Å; D12-K16 PolarHBondContact OD2-NZ 3.33Å; E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 2.88Å; K16-M18 VanDerWaalsContact C-N 3.3Å; K16-M18 HydrophobicContact CB-CG 3.58Å; K16-M18 HydrophobicContact CB-SD 3.62Å; K16-M18 HydrophobicContact CD-SD 3.59Å; K16-M18 VanDerWaalsContact CD-SD 3.59Å; K16-M18 HydrophobicContact CG-SD 4.27Å; K16-M18 PolarHBondContact O-N 3.43Å
17K93.7Very high93Very high184 Ų18475.8 Ų75.880%0.836%0.358SS*.THydrogen-bonded Turntrans54.142.7-176.7-58-177.4177.8-178.40113.1I13 E14I13-K17 WeakPolarHBondContact O-CA 3.31Å; I13-K17 PolarHBondContact O-N 3.17Å; E14-K17 PolarHBondContact O-N 3.43Å
18M95.5Very high93.7Very high78 Ų7877 Ų7738%0.38437%0.365SS..  trans-92.47.1-171.3-70.5179.870.400114.8I13 K16 Q20 A21 V22I13-M18 HydrophobicContact CG2-CB 4.17Å; I13-M18 PolarHBondContact O-N 2.82Å; K16-M18 VanDerWaalsContact C-N 3.3Å; K16-M18 HydrophobicContact CB-CG 3.58Å; K16-M18 HydrophobicContact CB-SD 3.62Å; K16-M18 HydrophobicContact CD-SD 3.59Å; K16-M18 VanDerWaalsContact CD-SD 3.59Å; K16-M18 HydrophobicContact CG-SD 4.27Å; K16-M18 PolarHBondContact O-N 3.43Å; M18-Q20 VanDerWaalsContact C-N 3.28Å; M18-Q20 PolarHBondContact O-N 3.41Å; M18-A21 PolarHBondContact O-N 2.91Å; M18-V22 WeakPolarHBondContact O-CG2 3.39Å; M18-V22 PolarHBondContact O-N 2.73Å
19W96Very high94.4Very high26 Ų2673.7 Ų73.710%0.09835%0.351CS..Hα-helixtrans-54.7-41-176.8-71.6114.6000113.7F10 I13 E14 A21 V22 F23 P269 L272 R273 W276F10-W19 AromaticContact CD2-CH2 3.74Å; F10-W19 HydrophobicContact CD2-CH2 3.74Å; F10-W19 AromaticContact CD2-CZ2 3.69Å; F10-W19 HydrophobicContact CD2-CZ2 3.69Å; F10-W19 AromaticContact CE2-CH2 3.84Å; F10-W19 HydrophobicContact CE2-CH2 3.84Å; F10-W19 AromaticContact CE2-CZ2 3.52Å; F10-W19 HydrophobicContact CE2-CZ2 3.52Å; F10-W19 HydrophobicContact CZ-CZ2 4.39Å; I13-W19 HydrophobicContact CB-CZ2 4.28Å; I13-W19 HydrophobicContact CD1-CH2 4.44Å; I13-W19 HydrophobicContact CD1-CZ3 4.47Å; I13-W19 HydrophobicContact CG2-CD2 3.45Å; I13-W19 VanDerWaalsContact CG2-CD2 3.45Å; I13-W19 VanDerWaalsContact CG2-CE2 3.46Å; I13-W19 HydrophobicContact CG2-CE3 3.77Å; I13-W19 HydrophobicContact CG2-CG 3.88Å; I13-W19 HydrophobicContact CG2-CH2 4.07Å; I13-W19 HydrophobicContact CG2-CZ2 3.79Å; I13-W19 HydrophobicContact CG2-CZ3 4.06Å; E14-W19 HydrophobicContact CG-CZ2 4.49Å; E14-W19 WeakPolarHBondContact OE1-CZ2 3.44Å; E14-W19 PolarHBondContact OE1-NE1 2.85Å; W19-A21 PolarHBondContact O-N 3.46Å; W19-V22 PolarHBondContact O-N 2.88Å; W19-F23 VanDerWaalsContact O-CB 3.29Å; W19-F23 WeakPolarHBondContact O-CB 3.32Å; W19-F23 PolarHBondContact O-N 3.28Å; W19-P269 HydrophobicContact CB-CB 3.98Å; W19-L272 HydrophobicContact CE3-CD2 4.25Å; W19-L272 HydrophobicContact CE3-CG 4.3Å; W19-L272 HydrophobicContact CZ3-CD2 4.38Å; W19-L272 HydrophobicContact CZ3-CG 4.15Å; W19-R273 HydrophobicContact CD2-CB 3.74Å; W19-R273 HydrophobicContact CD2-CG 4.14Å; W19-R273 HydrophobicContact CE3-CB 3.96Å; W19-R273 HydrophobicContact CG-CB 4.31Å; W19-R273 HydrophobicContact CH2-CB 4.16Å; W19-R273 HydrophobicContact CH2-CG 4.29Å; W19-R273 HydrophobicContact CZ2-CB 3.93Å; W19-R273 HydrophobicContact CZ2-CG 3.67Å; W19-R273 HydrophobicContact CZ3-CB 4.16Å; W19-W276 HydrophobicContact CH2-CB 4.08Å; W19-W276 AromaticContact CH2-CD1 3.63Å; W19-W276 HydrophobicContact CH2-CD2 4.31Å; W19-W276 AromaticContact CH2-CG 3.76Å; W19-W276 HydrophobicContact CH2-CG 3.76Å; W19-W276 AromaticContact CZ3-CD1 3.6Å; W19-W276 HydrophobicContact CZ3-CG 4.2Å; W19-W276 AromaticContact CZ3-NE1 3.89Å
20Q96.7Very high95Very high99 Ų9973 Ų7346%0.46335%0.346SS..Hα-helixtrans-61.7-44.1175.9-175.362.13400111.9M18 F23 Q24M18-Q20 VanDerWaalsContact C-N 3.28Å; M18-Q20 PolarHBondContact O-N 3.41Å; Q20-F23 PolarHBondContact O-N 2.93Å; Q20-Q24 WeakPolarHBondContact O-CB 3.25Å; Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.45Å; Q20-Q24 PolarHBondContact O-N 3.21Å
21A96.6Very high95.1Very high48 Ų4876.3 Ų76.340%0.39737%0.372SS..Hα-helixtrans-68-40.7-179.200000111.8M18 W19 F23 Q24 K25M18-A21 PolarHBondContact O-N 2.91Å; W19-A21 PolarHBondContact O-N 3.46Å; A21-F23 VanDerWaalsContact C-N 3.33Å; A21-Q24 PolarHBondContact O-N 3.45Å; A21-K25 PolarHBondContact O-N 3.21Å
22V95.8Very high95.2Very high23 Ų2377.4 Ų77.414%0.13938%0.379CS..Hα-helixtrans-63.6-42.3175179.70000110.4I13 M18 W19 K25 I26 P252 L272I13-V22 HydrophobicContact CD1-CG2 4.09Å; I13-V22 HydrophobicContact CG1-CG2 4.21Å; I13-V22 HydrophobicContact CG2-CG2 4.31Å; M18-V22 WeakPolarHBondContact O-CG2 3.39Å; M18-V22 PolarHBondContact O-N 2.73Å; W19-V22 PolarHBondContact O-N 2.88Å; V22-K25 WeakPolarHBondContact O-CB 3.45Å; V22-K25 PolarHBondContact O-N 3.12Å; V22-I26 WeakPolarHBondContact O-CG1 3.25Å; V22-I26 PolarHBondContact O-N 3.1Å; V22-I26 VanDerWaalsContact O-N 3.13Å; V22-P252 HydrophobicContact CG1-CB 4.25Å; V22-P252 HydrophobicContact CG1-CG 3.69Å; V22-L272 HydrophobicContact CB-CD2 4.41Å; V22-L272 HydrophobicContact CG1-CD2 3.85Å
23F96.9Very high95.2Very high7 Ų777.2 Ų77.23%0.03138%0.375CS..Hα-helixtrans-64.5-44.9177.5-171.7-98.1000112.3W19 Q20 A21 K25 I26 E27 V266 Q267 P269 L272W19-F23 VanDerWaalsContact O-CB 3.29Å; W19-F23 WeakPolarHBondContact O-CB 3.32Å; W19-F23 PolarHBondContact O-N 3.28Å; Q20-F23 PolarHBondContact O-N 2.93Å; A21-F23 VanDerWaalsContact C-N 3.33Å; F23-K25 VanDerWaalsContact C-N 3.28Å; F23-K25 PolarHBondContact O-N 2.92Å; F23-I26 WeakPolarHBondContact O-CB 3.44Å; F23-I26 PolarHBondContact O-N 3.44Å; F23-I26 VanDerWaalsContact O-N 3.1Å; F23-E27 HydrophobicContact CD1-CG 4.28Å; F23-E27 HydrophobicContact CE1-CG 4.01Å; F23-E27 VanDerWaalsContact CE1-OE1 3.31Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.36Å; F23-E27 PolarHBondContact O-N 2.89Å; F23-V266 HydrophobicContact CE2-CG1 4.38Å; F23-V266 VanDerWaalsContact CE2-O 3.25Å; F23-V266 WeakPolarHBondContact CE2-O 3.22Å; F23-V266 WeakPolarHBondContact CZ-O 3.46Å; F23-Q267 VanDerWaalsContact CZ-O 3.31Å; F23-Q267 WeakPolarHBondContact CZ-O 3.3Å; F23-P269 HydrophobicContact CB-CB 4.26Å; F23-P269 HydrophobicContact CB-CG 3.99Å; F23-P269 HydrophobicContact CD1-CG 4.22Å; F23-P269 HydrophobicContact CG-CG 4.03Å; F23-L272 HydrophobicContact CB-CD2 4.42Å; F23-L272 HydrophobicContact CD2-CB 4.4Å; F23-L272 HydrophobicContact CD2-CD2 4.4Å
24Q97.1Very high95.2Very high102 Ų10285.8 Ų85.848%0.47741%0.414SS..Hα-helixtrans-61-36.3174.9-77.1173-19.500112.6Q20 A21 E27 M28Q20-Q24 WeakPolarHBondContact O-CB 3.25Å; Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.45Å; Q20-Q24 PolarHBondContact O-N 3.21Å; A21-Q24 PolarHBondContact O-N 3.45Å; Q24-E27 WeakPolarHBondContact O-CB 3.47Å; Q24-E27 PolarHBondContact O-N 3.29Å; Q24-M28 PolarHBondContact O-N 3.43Å
25K96.6Very high95.2Very high123 Ų12385.2 Ų85.254%0.53542%0.415SS..Hα-helixtrans-61.7-44.7173-179.5173.4178.6176.10111.4A21 V22 F23 E27 M28 D29A21-K25 PolarHBondContact O-N 3.21Å; V22-K25 WeakPolarHBondContact O-CB 3.45Å; V22-K25 PolarHBondContact O-N 3.12Å; F23-K25 VanDerWaalsContact C-N 3.28Å; F23-K25 PolarHBondContact O-N 2.92Å; K25-E27 VanDerWaalsContact C-N 3.28Å; K25-E27 PolarHBondContact O-N 3.39Å; K25-M28 PolarHBondContact O-N 3.46Å; K25-D29 WeakPolarHBondContact CE-OD2 3.17Å; K25-D29 WeakPolarHBondContact CG-OD2 3.32Å; K25-D29 WeakPolarHBondContact O-CB 3.25Å; K25-D29 PolarHBondContact O-N 2.88Å
26I97.4Very high95.4Very high2 Ų279.6 Ų79.61%0.0140%0.396CS..Hα-helixtrans-59-41.5174.8-65.3168.3000110.7V22 F23 S30 P252 V255 V256 L272V22-I26 WeakPolarHBondContact O-CG1 3.25Å; V22-I26 PolarHBondContact O-N 3.1Å; V22-I26 VanDerWaalsContact O-N 3.13Å; F23-I26 WeakPolarHBondContact O-CB 3.44Å; F23-I26 PolarHBondContact O-N 3.44Å; F23-I26 VanDerWaalsContact O-N 3.1Å; I26-S30 WeakPolarHBondContact O-CB 3.39Å; I26-S30 PolarHBondContact O-N 2.88Å; I26-S30 PolarHBondContact O-OG 3.08Å; I26-P252 HydrophobicContact CD1-CB 3.96Å; I26-P252 HydrophobicContact CG1-CB 3.98Å; I26-V255 HydrophobicContact CD1-CB 4.37Å; I26-V255 HydrophobicContact CD1-CG1 4.43Å; I26-V255 HydrophobicContact CG2-CB 4.38Å; I26-V255 HydrophobicContact CG2-CG1 3.76Å; I26-V256 HydrophobicContact CB-CG2 4.2Å; I26-V256 HydrophobicContact CG1-CG2 4.23Å; I26-V256 HydrophobicContact CG2-CG2 3.88Å; I26-L272 HydrophobicContact CD1-CD1 3.92Å; I26-L272 HydrophobicContact CD1-CD2 3.65Å; I26-L272 HydrophobicContact CD1-CG 4.43Å
27E96.4Very high95.5Very high92 Ų9275.9 Ų75.943%0.4338%0.381SS..Hα-helixtrans-61.5-46.5176.4-66.9-178.8135.900112.3F23 Q24 K25 S31F23-E27 HydrophobicContact CD1-CG 4.28Å; F23-E27 HydrophobicContact CE1-CG 4.01Å; F23-E27 VanDerWaalsContact CE1-OE1 3.31Å; F23-E27 WeakPolarHBondContact CE1-OE1 3.36Å; F23-E27 PolarHBondContact O-N 2.89Å; Q24-E27 WeakPolarHBondContact O-CB 3.47Å; Q24-E27 PolarHBondContact O-N 3.29Å; K25-E27 VanDerWaalsContact C-N 3.28Å; K25-E27 PolarHBondContact O-N 3.39Å; E27-S31 PolarHBondContact O-N 3.41Å; E27-S31 VanDerWaalsContact O-N 3.13Å
28M96.7Very high95.7Very high106 Ų10673.8 Ų73.852%0.52237%0.374SS..Hα-helixtrans-61.3-55.4176.8-176.3-174.874.100111.2Q24 K25 S30 S31Q24-M28 PolarHBondContact O-N 3.43Å; K25-M28 PolarHBondContact O-N 3.46Å; M28-S30 PolarHBondContact O-N 2.66Å; M28-S31 WeakPolarHBondContact O-CB 3.48Å; M28-S31 PolarHBondContact O-N 3.15Å; M28-S31 PolarHBondContact O-OG 3.07Å
29D96.8Very high95.9Very high37 Ų3771.8 Ų71.820%0.19836%0.364CS..Hα-helixtrans-61.1-35.2-178.1-62.4-4.9000111.1K25 S31 V256K25-D29 WeakPolarHBondContact CE-OD2 3.17Å; K25-D29 WeakPolarHBondContact CG-OD2 3.32Å; K25-D29 WeakPolarHBondContact O-CB 3.25Å; K25-D29 PolarHBondContact O-N 2.88Å; D29-S31 VanDerWaalsContact C-N 3.32Å; D29-S31 PolarHBondContact O-N 2.98Å; D29-V256 HydrophobicContact CB-CG1 4.07Å; D29-V256 HydrophobicContact CB-CG2 3.91Å
30S96.1Very high96Very high16 Ų1670.7 Ų70.711%0.11236%0.36CS..Hα-helixtrans-71.9-25.4176.6-56.30000113.4I26 M28 E32 F33 R259I26-S30 WeakPolarHBondContact O-CB 3.39Å; I26-S30 PolarHBondContact O-N 2.88Å; I26-S30 PolarHBondContact O-OG 3.08Å; M28-S30 PolarHBondContact O-N 2.66Å; S30-E32 VanDerWaalsContact C-N 3.26Å; S30-E32 PolarHBondContact O-N 3.01Å; S30-F33 WeakPolarHBondContact O-CD2 3.3Å; S30-R259 WeakPolarHBondContact OG-CD 3.12Å
31S92.9Very high96Very high92 Ų9272.5 Ų72.564%0.64337%0.366SS*.Hα-helixtrans-77-13.3-179.373.30000113.5E27 M28 D29 F33E27-S31 PolarHBondContact O-N 3.41Å; E27-S31 VanDerWaalsContact O-N 3.13Å; M28-S31 WeakPolarHBondContact O-CB 3.48Å; M28-S31 PolarHBondContact O-N 3.15Å; M28-S31 PolarHBondContact O-OG 3.07Å; D29-S31 VanDerWaalsContact C-N 3.32Å; D29-S31 PolarHBondContact O-N 2.98Å; S31-F33 VanDerWaalsContact C-N 3.27Å; S31-F33 PolarHBondContact O-N 3.4Å
32E92.6Very high96.1Very high143 Ų14373.9 Ų73.967%0.66836%0.363SS*.THydrogen-bonded Turntrans-76.1-14.5177.5-60.9-174.7171.700112.8S30S30-E32 VanDerWaalsContact C-N 3.26Å; S30-E32 PolarHBondContact O-N 3.01Å
33F91Very high96.2Very high62 Ų6279 Ų7927%0.27239%0.394SS..SBendtrans-83.3125.9-179.8-53.9-54000112S30 S31 T35 V256 K260S30-F33 WeakPolarHBondContact O-CD2 3.3Å; S31-F33 VanDerWaalsContact C-N 3.27Å; S31-F33 PolarHBondContact O-N 3.4Å; F33-T35 HydrophobicContact CB-CG2 4.43Å; F33-T35 PolarHBondContact O-N 2.57Å; F33-V256 HydrophobicContact CE2-CG1 3.43Å; F33-V256 VanDerWaalsContact CE2-CG1 3.43Å; F33-V256 HydrophobicContact CZ-CG1 3.55Å; F33-K260 HydrophobicContact CD1-CG 4.33Å; F33-K260 HydrophobicContact CD2-CG 3.73Å; F33-K260 HydrophobicContact CE1-CD 4.38Å; F33-K260 HydrophobicContact CE1-CG 4.42Å; F33-K260 HydrophobicContact CE2-CD 4.43Å; F33-K260 HydrophobicContact CE2-CG 3.77Å; F33-K260 HydrophobicContact CG-CG 4.02Å; F33-K260 HydrophobicContact CZ-CD 4.32Å; F33-K260 HydrophobicContact CZ-CG 4.16Å
34E92.3Very high96.2Very high199 Ų19984.5 Ų84.593%0.9342%0.42SS*.  trans-67.2113170.7-64.3-176.6170.600110
35T94.8Very high96.3Very high48 Ų4880.3 Ų80.329%0.29440%0.401SS..  trans-137.3151.9177.856.20000109.6F33 Y57F33-T35 HydrophobicContact CB-CG2 4.43Å; F33-T35 PolarHBondContact O-N 2.57Å; T35-Y57 HydrophobicContact CG2-CD1 4.33Å; T35-Y57 HydrophobicContact CG2-CD2 4.17Å; T35-Y57 HydrophobicContact CG2-CE1 4.25Å; T35-Y57 HydrophobicContact CG2-CE2 4.1Å; T35-Y57 HydrophobicContact CG2-CG 4.29Å; T35-Y57 VanDerWaalsContact OG1-CE1 3.3Å; T35-Y57 WeakPolarHBondContact OG1-CE1 3.41Å
36T97.2Very high96.3Very high64 Ų6477.1 Ų77.139%0.39340%0.397SS..  trans-124.3153.3178.8640000110.6Y57 D58T36-Y57 CarbonylContact O-C 3.53Å; T36-Y57 VanDerWaalsContact O-CA 3.25Å; T36-Y57 WeakPolarHBondContact O-CA 3.43Å; T36-D58 WeakPolarHBondContact CB-OD2 3.31Å; T36-D58 PolarHBondContact O-N 2.85Å; T36-D58 WeakPolarHBondContact OG1-CB 3.3Å; T36-D58 PolarHBondContact OG1-OD2 3.36Å
37E97.3Very high96.3Very high42 Ų4283.7 Ų83.720%0.19643%0.428CS..  trans-133.826.5-178.6-58.7156-175.700109.9E39 G40 K41 L55 Y57 D58 M263E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.4Å; E37-G40 PolarHBondContact O-N 3.34Å; E37-K41 HydrophobicContact CB-CD 4.29Å; E37-K41 WeakPolarHBondContact O-CB 3.28Å; E37-K41 WeakPolarHBondContact O-CG 3.36Å; E37-K41 PolarHBondContact O-N 3.09Å; E37-K41 WeakPolarHBondContact OE2-CE 3.25Å; E37-K41 IonicContact OE2-NZ 2.82Å; E37-K41 PolarHBondContact OE2-NZ 2.93Å; E37-L55 HydrophobicContact CB-CB 4.19Å; E37-L55 HydrophobicContact CB-CD1 4.13Å; E37-L55 HydrophobicContact CG-CB 4.26Å; E37-Y57 HydrophobicContact CG-CD1 3.92Å; E37-Y57 HydrophobicContact CG-CE1 4.24Å; E37-D58 PolarHBondContact N-OD2 3.05Å; E37-D58 VanDerWaalsContact N-OD2 3.15Å; E37-M263 HydrophobicContact CG-CE 3.83Å; E37-M263 WeakPolarHBondContact OE1-CE 3.35Å
38E97.8Very high96.4Very high140 Ų14080.6 Ų80.665%0.65442%0.415SS*.Hα-helixtrans-58.9-44.6-170.6-66.4-177.9171.900111G40 K41 K42 D58E38-G40 VanDerWaalsContact C-N 3.35Å; E38-G40 PolarHBondContact O-N 3.49Å; E38-K41 PolarHBondContact O-N 3.31Å; E38-K42 PolarHBondContact O-N 2.75Å; E38-D58 PolarHBondContact N-OD1 3.23Å; E38-D58 PolarHBondContact N-OD2 3.28Å
39E98Very high96.5Very high37 Ų3776.2 Ų76.217%0.17339%0.393CS..Hα-helixtrans-64.6-42.1179.9-166.467.7-139.300111.1E37 K41 K42 N45 D58 R61 Y69E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.4Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3.38Å; E39-K42 PolarHBondContact O-N 3.26Å; E39-K42 WeakPolarHBondContact OE1-CD 3.1Å; E39-K42 WeakPolarHBondContact OE1-CE 3.21Å; E39-K42 IonicContact OE1-NZ 2.75Å; E39-K42 PolarHBondContact OE1-NZ 2.77Å; E39-K42 WeakPolarHBondContact OE2-CE 3.33Å; E39-K42 IonicContact OE2-NZ 3.57Å; E39-K42 PolarHBondContact OE2-NZ 3.42Å; E39-N45 PolarHBondContact O-ND2 3.42Å; E39-N45 PolarHBondContact OE1-ND2 3.38Å; E39-D58 VanDerWaalsContact CB-OD1 3.24Å; E39-D58 WeakPolarHBondContact CB-OD1 3.29Å; E39-D58 PolarHBondContact N-OD1 3.41Å; E39-R61 IonicContact OE2-NH2 3.58Å; E39-Y69 HydrophobicContact CG-CD2 3.75Å; E39-Y69 HydrophobicContact CG-CE2 4.14Å
40G98.1Very high96.6Very high2 Ų276.7 Ų76.72%0.02139%0.392CS..Hα-helixtrans-68.1-23.7177.600000114.1E37 E38 N49 Y69E37-G40 PolarHBondContact O-N 3.34Å; E38-G40 VanDerWaalsContact C-N 3.35Å; E38-G40 PolarHBondContact O-N 3.49Å; G40-N49 PolarHBondContact O-ND2 3.41Å; G40-Y69 VanDerWaalsContact CA-OH 3.31Å; G40-Y69 WeakPolarHBondContact CA-OH 3.36Å
41K98.1Very high96.7Very high137 Ų13779.3 Ų79.360%0.59640%0.4SS*.Hα-helixtrans-86.2-10.2179.3-76.7170.5174.61510114.1E37 E38 E39 L55E37-K41 HydrophobicContact CB-CD 4.29Å; E37-K41 WeakPolarHBondContact O-CB 3.28Å; E37-K41 WeakPolarHBondContact O-CG 3.36Å; E37-K41 PolarHBondContact O-N 3.09Å; E37-K41 WeakPolarHBondContact OE2-CE 3.25Å; E37-K41 IonicContact OE2-NZ 2.82Å; E37-K41 PolarHBondContact OE2-NZ 2.93Å; E38-K41 PolarHBondContact O-N 3.31Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3.38Å; K41-L55 HydrophobicContact CD-CD1 4.46Å; K41-L55 HydrophobicContact CG-CD1 3.61Å
42K98.2Very high96.9Very high78 Ų7881.2 Ų81.234%0.33941%0.408SS..SBendtrans-60142.9176.9-69.6-176.7-175.61700111.5E38 E39 E44 N45 A46E38-K42 PolarHBondContact O-N 2.75Å; E39-K42 PolarHBondContact O-N 3.26Å; E39-K42 WeakPolarHBondContact OE1-CD 3.1Å; E39-K42 WeakPolarHBondContact OE1-CE 3.21Å; E39-K42 IonicContact OE1-NZ 2.75Å; E39-K42 PolarHBondContact OE1-NZ 2.77Å; E39-K42 WeakPolarHBondContact OE2-CE 3.33Å; E39-K42 IonicContact OE2-NZ 3.57Å; E39-K42 PolarHBondContact OE2-NZ 3.42Å; K42-E44 VanDerWaalsContact C-N 3.3Å; K42-E44 HydrophobicContact CB-CG 4.22Å; K42-E44 PolarHBondContact O-N 2.75Å; K42-N45 HydrophobicContact CB-CB 4.41Å; K42-N45 PolarHBondContact O-N 2.89Å; K42-N45 VanDerWaalsContact O-N 3.08Å; K42-A46 PolarHBondContact O-N 3.23Å
43V97.6Very high97.1Very high130 Ų13080.1 Ų80.179%0.78841%0.407SS*.G310 helixtrans-62.1-40.5-176.2176.60000110.8N45 A46V43-N45 PolarHBondContact O-N 3.37Å; V43-A46 WeakPolarHBondContact O-CB 3.29Å; V43-A46 PolarHBondContact O-N 2.73Å
44E97.2Very high97.4Very high123 Ų12377.5 Ų77.558%0.57540%0.396SS*.G310 helixtrans-64.9-22.2177.360.9-94.7-141.900114K42K42-E44 VanDerWaalsContact C-N 3.3Å; K42-E44 HydrophobicContact CB-CG 4.22Å; K42-E44 PolarHBondContact O-N 2.75Å
45N98.3Very high97.7Very high13 Ų1368.6 Ų68.67%0.0735%0.354CS..G310 helixtrans-97.5-8.3179.8-67.7-26.5000112.7E39 K42 V43 E47 L48 N49 Y69E39-N45 PolarHBondContact O-ND2 3.42Å; E39-N45 PolarHBondContact OE1-ND2 3.38Å; K42-N45 HydrophobicContact CB-CB 4.41Å; K42-N45 PolarHBondContact O-N 2.89Å; K42-N45 VanDerWaalsContact O-N 3.08Å; V43-N45 PolarHBondContact O-N 3.37Å; N45-E47 VanDerWaalsContact C-N 3.28Å; N45-E47 PolarHBondContact O-N 2.69Å; N45-L48 WeakPolarHBondContact O-CB 3.2Å; N45-L48 PolarHBondContact O-N 3.37Å; N45-N49 PolarHBondContact O-ND2 3.24Å; N45-Y69 HydrophobicContact CB-CD1 3.77Å; N45-Y69 HydrophobicContact CB-CD2 4.37Å; N45-Y69 HydrophobicContact CB-CE1 3.97Å; N45-Y69 HydrophobicContact CB-CG 3.95Å; N45-Y69 VanDerWaalsContact CG-CG 3.45Å; N45-Y69 WeakPolarHBondContact OD1-CB 3.41Å
46A97.7Very high97.9Very high56 Ų5666.3 Ų66.346%0.46334%0.34SS..G310 helixtrans-58.4-39.2-174.700000112.5K42 V43 L48 N49K42-A46 PolarHBondContact O-N 3.23Å; V43-A46 WeakPolarHBondContact O-CB 3.29Å; V43-A46 PolarHBondContact O-N 2.73Å; A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 PolarHBondContact O-N 3.32Å; A46-N49 PolarHBondContact O-N 3.27Å
47E97.7Very high98Very high141 Ų14164.4 Ų64.466%0.65933%0.326SS*.G310 helixtrans-75.9-11.5178.167.9179.1153.900114.1N45 N49 M91 N93N45-E47 VanDerWaalsContact C-N 3.28Å; N45-E47 PolarHBondContact O-N 2.69Å; E47-N49 VanDerWaalsContact C-N 3.33Å; E47-M91 WeakPolarHBondContact O-CE 3.34Å; E47-N93 PolarHBondContact O-ND2 2.82Å
48L98.5Very high98Very high27 Ų2763.9 Ų63.914%0.14133%0.325CS..G310 helixtrans-89.5-5.5176.2-52179.1000111.5N45 A46 Y69 Q88 M91 T94N45-L48 WeakPolarHBondContact O-CB 3.2Å; N45-L48 PolarHBondContact O-N 3.37Å; A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 PolarHBondContact O-N 3.32Å; L48-Y69 HydrophobicContact CB-CD1 3.71Å; L48-Y69 HydrophobicContact CB-CE1 3.98Å; L48-Y69 HydrophobicContact CD1-CD1 3.75Å; L48-Y69 HydrophobicContact CD1-CG 4.4Å; L48-Y69 HydrophobicContact CG-CD1 4.36Å; L48-Q88 PolarHBondContact O-NE2 3.2Å; L48-M91 VanDerWaalsContact O-CE 3.28Å; L48-M91 WeakPolarHBondContact O-CE 3.38Å; L48-T94 HydrophobicContact CB-CG2 3.94Å; L48-T94 HydrophobicContact CD2-CG2 3.71Å; L48-T94 HydrophobicContact CG-CG2 4.41Å
49N98.6Very high98Very high14 Ų1462.7 Ų62.78%0.07532%0.319CS..  trans-101.4119.7176.2-68-46.3000111.5G40 N45 A46 E47 Y51 L55 Y69 N71G40-N49 PolarHBondContact O-ND2 3.41Å; N45-N49 PolarHBondContact O-ND2 3.24Å; A46-N49 PolarHBondContact O-N 3.27Å; E47-N49 VanDerWaalsContact C-N 3.33Å; N49-Y51 VanDerWaalsContact C-N 3.26Å; N49-Y51 PolarHBondContact O-N 3.19Å; N49-L55 HydrophobicContact CB-CD2 4.28Å; N49-L55 WeakPolarHBondContact ND2-CD2 3.09Å; N49-Y69 PolarHBondContact ND2-OH 3.4Å; N49-Y69 WeakPolarHBondContact OD1-CE1 3.34Å; N49-Y69 PolarHBondContact OD1-OH 2.92Å; N49-N71 PolarHBondContact OD1-ND2 3.05Å
50R98.3Very high98Very high47 Ų4761.4 Ų61.418%0.17731%0.314CS..SBendtrans-63.4-35.2176.8179.2178.3-70.5-74.1-0.7112.3G89 P90 M91 K123 S221R50-G89 PolarHBondContact NE-O 3.16Å; R50-G89 PolarHBondContact NH2-O 2.9Å; R50-P90 PolarHBondContact NH2-O 2.92Å; R50-M91 VanDerWaalsContact CA-SD 3.51Å; R50-M91 HydrophobicContact CB-CG 4.31Å; R50-M91 HydrophobicContact CB-SD 3.78Å; R50-M91 HydrophobicContact CG-SD 4.38Å; R50-K123 PolarHBondContact NE-O 2.88Å; R50-S221 WeakPolarHBondContact CD-O 3.45Å
51Y97.8Very high98Very high71 Ų7163.9 Ų63.928%0.27832%0.323SS..SBendtrans-131.3127.3179.7-59.3-71.8000109.3N49 N53 V54 S221 A222N49-Y51 VanDerWaalsContact C-N 3.26Å; N49-Y51 PolarHBondContact O-N 3.19Å; Y51-N53 PolarHBondContact O-N 3.35Å; Y51-V54 PolarHBondContact O-N 3.4Å; Y51-V54 VanDerWaalsContact O-N 3.14Å; Y51-S221 PolarHBondContact OH-OG 3.26Å; Y51-A222 HydrophobicContact CD2-CB 3.58Å; Y51-A222 HydrophobicContact CE2-CB 3.63Å
52T96.9Very high98.1Very high131 Ų13157.4 Ų57.480%0.80429%0.294SS*.THydrogen-bonded Turntrans-64.3-21.4-177.852.60000113.4
53N97Very high98.1Very high120 Ų12058.2 Ų58.264%0.64230%0.302SS*.THydrogen-bonded Turntrans-102.29.6179.870.8-46.9000113.7Y51Y51-N53 PolarHBondContact O-N 3.35Å
54V98.2Very high98.1Very high8 Ų852.4 Ų52.45%0.04827%0.266CS..  trans-12894.5176-175.50000108.8Y51 N71 A222 V224 M263Y51-V54 PolarHBondContact O-N 3.4Å; Y51-V54 VanDerWaalsContact O-N 3.14Å; V54-N71 PolarHBondContact O-ND2 3.07Å; V54-A222 HydrophobicContact CG1-CB 4.32Å; V54-A222 WeakPolarHBondContact CG1-O 3.37Å; V54-A222 HydrophobicContact CG2-CB 4.19Å; V54-V224 HydrophobicContact CG1-CG1 3.65Å; V54-V224 HydrophobicContact CG1-CG2 4.09Å; V54-V224 HydrophobicContact CG2-CG2 4.42Å; V54-M263 HydrophobicContact CG1-SD 4.46Å
55L98.5Very high98.1Very high11 Ų1151.5 Ų51.56%0.05827%0.273CS..  trans-113.2155.3-175.6-56.7-179.6000110.4E37 K41 N49 M263E37-L55 HydrophobicContact CB-CB 4.19Å; E37-L55 HydrophobicContact CB-CD1 4.13Å; E37-L55 HydrophobicContact CG-CB 4.26Å; K41-L55 HydrophobicContact CD-CD1 4.46Å; K41-L55 HydrophobicContact CG-CD1 3.61Å; N49-L55 HydrophobicContact CB-CD2 4.28Å; N49-L55 WeakPolarHBondContact ND2-CD2 3.09Å; L55-M263 HydrophobicContact CB-CE 3.99Å; L55-M263 PolarHBondContact N-SD 3.25Å; L55-M263 WeakPolarHBondContact O-CE 3.5Å; L55-M263 VanDerWaalsContact O-SD 3.4Å
56P98.6Very high97.9Very high0 Ų055.7 Ų55.70%030%0.296CS..  trans-77.9141.6170.534.2-33.7000110R61 Y69 N73P56-R61 HydrophobicContact CB-CB 4.02Å; P56-R61 HydrophobicContact CG-CB 4.44Å; P56-Y69 WeakPolarHBondContact CD-OH 3.45Å; P56-Y69 HydrophobicContact CG-CE2 3.82Å; P56-Y69 VanDerWaalsContact CG-OH 3.27Å; P56-Y69 WeakPolarHBondContact CG-OH 3.38Å; P56-N73 WeakPolarHBondContact CA-OD1 3.35Å; P56-N73 VanDerWaalsContact CB-OD1 3.25Å; P56-N73 WeakPolarHBondContact CB-OD1 3.15Å
57Y98.6Very high97.8Very high24 Ų2456.4 Ų56.49%0.09431%0.308CS..  trans-69140.8166.7-62.2-42.8000111.5T35 T36 E37 H59 T60 R61 N73 R259 R262 M263T35-Y57 HydrophobicContact CG2-CD1 4.33Å; T35-Y57 HydrophobicContact CG2-CD2 4.17Å; T35-Y57 HydrophobicContact CG2-CE1 4.25Å; T35-Y57 HydrophobicContact CG2-CE2 4.1Å; T35-Y57 HydrophobicContact CG2-CG 4.29Å; T35-Y57 VanDerWaalsContact OG1-CE1 3.3Å; T35-Y57 WeakPolarHBondContact OG1-CE1 3.41Å; T36-Y57 CarbonylContact O-C 3.53Å; T36-Y57 VanDerWaalsContact O-CA 3.25Å; T36-Y57 WeakPolarHBondContact O-CA 3.43Å; E37-Y57 HydrophobicContact CG-CD1 3.92Å; E37-Y57 HydrophobicContact CG-CE1 4.24Å; Y57-H59 VanDerWaalsContact CB-CE1 3.44Å; Y57-H59 WeakPolarHBondContact CB-CE1 3.41Å; Y57-H59 AromaticContact CD2-CE1 3.99Å; Y57-H59 AromaticContact CG-CE1 3.93Å; Y57-H59 PolarHBondContact O-N 2.85Å; Y57-T60 PolarHBondContact O-N 2.93Å; Y57-R61 WeakPolarHBondContact O-CB 3.33Å; Y57-R61 PolarHBondContact O-N 2.83Å; Y57-N73 PolarHBondContact N-ND2 2.86Å; Y57-N73 VanDerWaalsContact N-ND2 3.12Å; Y57-N73 PolarHBondContact O-ND2 2.72Å; Y57-R259 VanDerWaalsContact CE2-O 3.3Å; Y57-R259 WeakPolarHBondContact CE2-O 3.37Å; Y57-R262 VanDerWaalsContact CE2-C 3.43Å; Y57-M263 HydrophobicContact CD1-CE 4.34Å; Y57-M263 HydrophobicContact CE1-CB 3.95Å; Y57-M263 HydrophobicContact CE1-CE 3.9Å; Y57-M263 HydrophobicContact CE2-CB 4.11Å; Y57-M263 WeakPolarHBondContact OH-CA 3.3Å; Y57-M263 VanDerWaalsContact OH-CB 3.29Å; Y57-M263 WeakPolarHBondContact OH-CB 3.42Å
58D98.4Very high97.6Very high32 Ų3250.7 Ų50.717%0.17129%0.288CS..THydrogen-bonded Turntrans-65.7-37.1-172.6-61.3-48.2000113T36 E37 E38 E39 T60 R61T36-D58 WeakPolarHBondContact CB-OD2 3.31Å; T36-D58 PolarHBondContact O-N 2.85Å; T36-D58 WeakPolarHBondContact OG1-CB 3.3Å; T36-D58 PolarHBondContact OG1-OD2 3.36Å; E37-D58 PolarHBondContact N-OD2 3.05Å; E37-D58 VanDerWaalsContact N-OD2 3.15Å; E38-D58 PolarHBondContact N-OD1 3.23Å; E38-D58 PolarHBondContact N-OD2 3.28Å; E39-D58 VanDerWaalsContact CB-OD1 3.24Å; E39-D58 WeakPolarHBondContact CB-OD1 3.29Å; E39-D58 PolarHBondContact N-OD1 3.41Å; D58-T60 VanDerWaalsContact C-N 3.3Å; D58-T60 PolarHBondContact O-N 3.24Å; D58-R61 WeakPolarHBondContact O-CG 3.49Å
59H97.8Very high97.6Very high114 Ų11449.8 Ų49.853%0.52828%0.282SS..THydrogen-bonded Turntrans-73.4-19-175.162.9-69.4000114.1Y57 K260Y57-H59 VanDerWaalsContact CB-CE1 3.44Å; Y57-H59 WeakPolarHBondContact CB-CE1 3.41Å; Y57-H59 AromaticContact CD2-CE1 3.99Å; Y57-H59 AromaticContact CG-CE1 3.93Å; Y57-H59 PolarHBondContact O-N 2.85Å; H59-K260 PolarHBondContact CE1-O 2.76Å; H59-K260 PolarHBondContact NE2-O 3.46Å
60T98.4Very high97.7Very high10 Ų1049.4 Ų49.46%0.06128%0.28CS..THydrogen-bonded Turntrans-121.11.8178.452.80000113.4Y57 D58 N73 H74 F76 C261Y57-T60 PolarHBondContact O-N 2.93Å; D58-T60 VanDerWaalsContact C-N 3.3Å; D58-T60 PolarHBondContact O-N 3.24Å; T60-N73 CarbonylContact O-C 3.59Å; T60-N73 VanDerWaalsContact O-CA 3.27Å; T60-N73 WeakPolarHBondContact O-CA 3.27Å; T60-N73 PolarHBondContact OG1-ND2 2.73Å; T60-H74 PolarHBondContact O-N 3.24Å; T60-F76 HydrophobicContact CG2-CE1 4.05Å; T60-C261 HydrophobicContact CG2-CB 4.31Å; T60-C261 PolarHBondContact OG1-O 3.38Å
61R98.6Very high97.7Very high55 Ų5547.2 Ų47.221%0.20827%0.272CS..EExtended strand (participates in β ladder)trans-61.1148.6-179.373.3-173.6175.991.7-4.8111E39 P56 Y57 D58 L63 A72 N73E39-R61 IonicContact OE2-NH2 3.58Å; P56-R61 HydrophobicContact CB-CB 4.02Å; P56-R61 HydrophobicContact CG-CB 4.44Å; Y57-R61 WeakPolarHBondContact O-CB 3.33Å; Y57-R61 PolarHBondContact O-N 2.83Å; D58-R61 WeakPolarHBondContact O-CG 3.49Å; R61-L63 HydrophobicContact CG-CD2 3.88Å; R61-L63 PolarHBondContact O-N 2.96Å; R61-A72 CarbonylContact C-O 3.53Å; R61-A72 VanDerWaalsContact CA-O 3.25Å; R61-A72 WeakPolarHBondContact CA-O 3.49Å; R61-N73 PolarHBondContact N-ND2 2.85Å
62V98.7Very high97.7Very high0 Ų043.8 Ų43.80%026%0.259CS..EExtended strand (participates in β ladder)trans-73.9126.7172.7-177.40000109.3I70 A72 I85 M101 K105V62-I70 HydrophobicContact CB-CG2 4.09Å; V62-I70 HydrophobicContact CG1-CG2 4.34Å; V62-A72 HydrophobicContact CB-CB 4.02Å; V62-A72 HydrophobicContact CG2-CB 3.63Å; V62-A72 PolarHBondContact N-O 2.99Å; V62-I85 HydrophobicContact CG2-CD1 4.27Å; V62-I85 HydrophobicContact CG2-CG1 4.23Å; V62-I85 HydrophobicContact CG2-CG2 3.78Å; V62-M101 HydrophobicContact CB-SD 4.2Å; V62-M101 HydrophobicContact CG1-CG 3.87Å; V62-M101 HydrophobicContact CG1-SD 3.94Å; V62-M101 HydrophobicContact CG2-SD 4.06Å; V62-K105 HydrophobicContact CG1-CD 4.41Å; V62-K105 VanDerWaalsContact CG1-CE 3.43Å; V62-K105 HydrophobicContact CG1-CG 4.14Å
63L98.3Very high97.8Very high96 Ų9637.6 Ų37.650%0.50322%0.221SC..EExtended strand (participates in β ladder)trans-95.7123.4176-53.5-177.9000110.1R61 K105R61-L63 HydrophobicContact CG-CD2 3.88Å; R61-L63 PolarHBondContact O-N 2.96Å; L63-K105 WeakPolarHBondContact O-CE 2.95Å; L63-K105 PolarHBondContact O-NZ 2.78Å
64L98.2Very high97.9Very high8 Ų834.4 Ų34.44%0.04220%0.202CC..PPolyproline II helixtrans-82.7144.5171.3-59.2-179.4000110.6N66 G67 I70 D97 Q100 M101 E104L64-N66 VanDerWaalsContact CB-OD1 3.27Å; L64-N66 WeakPolarHBondContact CB-OD1 3.38Å; L64-N66 PolarHBondContact O-N 2.82Å; L64-N66 VanDerWaalsContact O-N 3.16Å; L64-G67 PolarHBondContact O-N 3.17Å; L64-I70 HydrophobicContact CD1-CB 4.25Å; L64-I70 HydrophobicContact CD1-CG2 4.3Å; L64-I70 HydrophobicContact CD2-CG2 4.04Å; L64-I70 HydrophobicContact CG-CG2 4.01Å; L64-D97 HydrophobicContact CD1-CB 3.89Å; L64-Q100 HydrophobicContact CD2-CG 4.27Å; L64-M101 HydrophobicContact CD2-CB 3.99Å; L64-E104 WeakPolarHBondContact CA-OE2 3.39Å
65S96.7Very high97.9Very high103 Ų10334.1 Ų34.172%0.7220%0.2SC*.THydrogen-bonded Turntrans-67.2-18.5-172.9810000114.2G67 E104S65-G67 VanDerWaalsContact C-N 3.3Å; S65-E104 WeakPolarHBondContact CB-OE1 3.28Å; S65-E104 PolarHBondContact N-OE1 3.02Å; S65-E104 PolarHBondContact N-OE2 2.83Å; S65-E104 PolarHBondContact OG-OE1 3.07Å
66N94.9Very high97.8Very high102 Ų10238.5 Ų38.555%0.54522%0.219SC..THydrogen-bonded Turntrans-86.83.9175.462.3-6.4000113.2L64 G68 Q100L64-N66 VanDerWaalsContact CB-OD1 3.27Å; L64-N66 WeakPolarHBondContact CB-OD1 3.38Å; L64-N66 PolarHBondContact O-N 2.82Å; L64-N66 VanDerWaalsContact O-N 3.16Å; N66-G68 PolarHBondContact O-N 2.98Å; N66-G68 WeakPolarHBondContact OD1-CA 3.41Å; N66-G68 PolarHBondContact OD1-N 3.37Å; N66-Q100 VanDerWaalsContact CG-NE2 3.31Å; N66-Q100 PolarHBondContact ND2-NE2 2.94Å; N66-Q100 PolarHBondContact ND2-OE1 3.44Å; N66-Q100 PolarHBondContact OD1-NE2 2.92Å
67G94.7Very high97.6Very high70 Ų7039.5 Ų39.572%0.72222%0.224SC*.SBendtrans77.85.2-172.700000113.9L64 S65L64-G67 PolarHBondContact O-N 3.17Å; S65-G67 VanDerWaalsContact C-N 3.3Å
68G94.9Very high97.3Very high22 Ų2243.3 Ų43.323%0.22725%0.254CS..  trans-66.9158.9177.600000113.1N66N66-G68 PolarHBondContact O-N 2.98Å; N66-G68 WeakPolarHBondContact OD1-CA 3.41Å; N66-G68 PolarHBondContact OD1-N 3.37Å
69Y98.5Very high96.9Very high7 Ų745.5 Ų45.53%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-100.9135.8178.6172.9-95.4000111.2E39 G40 N45 L48 N49 P56 N71E39-Y69 HydrophobicContact CG-CD2 3.75Å; E39-Y69 HydrophobicContact CG-CE2 4.14Å; G40-Y69 VanDerWaalsContact CA-OH 3.31Å; G40-Y69 WeakPolarHBondContact CA-OH 3.36Å; N45-Y69 HydrophobicContact CB-CD1 3.77Å; N45-Y69 HydrophobicContact CB-CD2 4.37Å; N45-Y69 HydrophobicContact CB-CE1 3.97Å; N45-Y69 HydrophobicContact CB-CG 3.95Å; N45-Y69 VanDerWaalsContact CG-CG 3.45Å; N45-Y69 WeakPolarHBondContact OD1-CB 3.41Å; L48-Y69 HydrophobicContact CB-CD1 3.71Å; L48-Y69 HydrophobicContact CB-CE1 3.98Å; L48-Y69 HydrophobicContact CD1-CD1 3.75Å; L48-Y69 HydrophobicContact CD1-CG 4.4Å; L48-Y69 HydrophobicContact CG-CD1 4.36Å; N49-Y69 PolarHBondContact ND2-OH 3.4Å; N49-Y69 WeakPolarHBondContact OD1-CE1 3.34Å; N49-Y69 PolarHBondContact OD1-OH 2.92Å; P56-Y69 WeakPolarHBondContact CD-OH 3.45Å; P56-Y69 HydrophobicContact CG-CE2 3.82Å; P56-Y69 VanDerWaalsContact CG-OH 3.27Å; P56-Y69 WeakPolarHBondContact CG-OH 3.38Å; Y69-N71 HydrophobicContact CE1-CB 4.41Å
70I98.8Very high96.6Very high6 Ų641.2 Ų41.23%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-136.6137167.7-173.1167000109.7V62 L64 A72 D97 M101V62-I70 HydrophobicContact CB-CG2 4.09Å; V62-I70 HydrophobicContact CG1-CG2 4.34Å; L64-I70 HydrophobicContact CD1-CB 4.25Å; L64-I70 HydrophobicContact CD1-CG2 4.3Å; L64-I70 HydrophobicContact CD2-CG2 4.04Å; L64-I70 HydrophobicContact CG-CG2 4.01Å; I70-A72 VanDerWaalsContact C-N 3.27Å; I70-A72 HydrophobicContact CG1-CB 4.39Å; I70-A72 HydrophobicContact CG2-CB 4.29Å; I70-A72 PolarHBondContact O-N 2.91Å; I70-D97 HydrophobicContact CB-CB 4.44Å; I70-D97 HydrophobicContact CD1-CB 4.1Å; I70-D97 HydrophobicContact CG1-CB 4.47Å; I70-M101 HydrophobicContact CD1-CB 4.03Å; I70-M101 HydrophobicContact CD1-CE 4.07Å; I70-M101 HydrophobicContact CD1-SD 3.87Å; I70-M101 HydrophobicContact CG2-SD 4.42Å
71N98.9Very high96.3Very high1 Ų145.3 Ų45.31%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-7681.5174.6-170.1-37.8000110.4N49 V54 Y69 T87 Q88 R262N49-N71 PolarHBondContact OD1-ND2 3.05Å; V54-N71 PolarHBondContact O-ND2 3.07Å; Y69-N71 HydrophobicContact CE1-CB 4.41Å; N71-T87 WeakPolarHBondContact O-CA 3.49Å; N71-T87 WeakPolarHBondContact O-CB 3.29Å; N71-T87 PolarHBondContact O-OG1 3.08Å; N71-Q88 HydrophobicContact CB-CG 4.2Å; N71-Q88 PolarHBondContact O-N 3.28Å; N71-R262 PolarHBondContact OD1-NH1 2.97Å; N71-R262 PolarHBondContact OD1-NH2 3Å
72A98.9Very high96.1Very high0 Ų043 Ų430%028%0.279CS..EExtended strand (participates in β ladder)trans-149.9146.2178.300000110.3R61 V62 I70 I85 L86 M101R61-A72 CarbonylContact C-O 3.53Å; R61-A72 VanDerWaalsContact CA-O 3.25Å; R61-A72 WeakPolarHBondContact CA-O 3.49Å; V62-A72 HydrophobicContact CB-CB 4.02Å; V62-A72 HydrophobicContact CG2-CB 3.63Å; V62-A72 PolarHBondContact N-O 2.99Å; I70-A72 VanDerWaalsContact C-N 3.27Å; I70-A72 HydrophobicContact CG1-CB 4.39Å; I70-A72 HydrophobicContact CG2-CB 4.29Å; I70-A72 PolarHBondContact O-N 2.91Å; A72-I85 HydrophobicContact CB-CG2 3.93Å; A72-L86 CarbonylContact C-O 3.53Å; A72-L86 VanDerWaalsContact CA-O 3.26Å; A72-L86 WeakPolarHBondContact CA-O 3.41Å; A72-M101 HydrophobicContact CB-CE 4.48Å; A72-M101 HydrophobicContact CB-SD 3.67Å
73N98.9Very high95.9Very high0 Ų045.2 Ų45.20%029%0.291CS..EExtended strand (participates in β ladder)trans-124.9142.2172-64.392000110.7P56 Y57 T60 R61 I85 L86 C261 R262P56-N73 WeakPolarHBondContact CA-OD1 3.35Å; P56-N73 VanDerWaalsContact CB-OD1 3.25Å; P56-N73 WeakPolarHBondContact CB-OD1 3.15Å; Y57-N73 PolarHBondContact N-ND2 2.86Å; Y57-N73 VanDerWaalsContact N-ND2 3.12Å; Y57-N73 PolarHBondContact O-ND2 2.72Å; T60-N73 CarbonylContact O-C 3.59Å; T60-N73 VanDerWaalsContact O-CA 3.27Å; T60-N73 WeakPolarHBondContact O-CA 3.27Å; T60-N73 PolarHBondContact OG1-ND2 2.73Å; R61-N73 PolarHBondContact N-ND2 2.85Å; N73-I85 CarbonylContact O-C 3.55Å; N73-I85 WeakPolarHBondContact O-CA 3.44Å; N73-L86 PolarHBondContact N-O 3.11Å; N73-L86 PolarHBondContact O-N 3.47Å; N73-C261 WeakPolarHBondContact CB-O 3.34Å; N73-C261 PolarHBondContact ND2-O 3.4Å; N73-R262 HydrophobicContact CB-CB 3.99Å; N73-R262 HydrophobicContact CB-CG 4.3Å; N73-R262 WeakPolarHBondContact OD1-CG 3.35Å; N73-R262 PolarHBondContact OD1-NH1 2.93Å
74H98.6Very high95.9Very high54 Ų5440.7 Ų40.725%0.2527%0.267CS..EExtended strand (participates in β ladder)trans-64.7131.9158.9-68.5-79.8000108.9T60 L84 C261T60-H74 PolarHBondContact O-N 3.24Å; H74-L84 WeakPolarHBondContact CA-O 3.42Å; H74-C261 WeakPolarHBondContact O-CB 3.34Å
75V98.3Very high95.9Very high1 Ų140.3 Ų40.31%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-125.1120.8177.3177.60000108.2L82 L84 L86 L258 C261 R262V75-L82 HydrophobicContact CG1-CD2 4.45Å; V75-L84 HydrophobicContact CB-CB 4.23Å; V75-L84 PolarHBondContact N-O 2.95Å; V75-L84 PolarHBondContact O-N 3.41Å; V75-L86 HydrophobicContact CB-CD1 4.15Å; V75-L86 HydrophobicContact CG2-CB 4.07Å; V75-L86 HydrophobicContact CG2-CD1 3.97Å; V75-L86 HydrophobicContact CG2-CD2 4.29Å; V75-L86 HydrophobicContact CG2-CG 4.31Å; V75-L258 HydrophobicContact CG1-CD2 3.79Å; V75-C261 HydrophobicContact CB-CB 4.23Å; V75-C261 HydrophobicContact CG1-CB 4.26Å; V75-C261 HydrophobicContact CG2-CB 3.93Å; V75-R262 HydrophobicContact CG2-CB 4.28Å
76F96.6Very high96Very high104 Ų10435.4 Ų35.446%0.45623%0.231SC..  trans-136163-17755.6-92.7000110.1T60 L82T60-F76 HydrophobicContact CG2-CE1 4.05Å; F76-L82 WeakPolarHBondContact CA-O 3.2Å
77L94.8Very high96.2Very high21 Ų2130.7 Ų30.711%0.1121%0.206CC..  trans-136.4116.9175.2176.867.4000108.5G79 T80 L82 A235 L254 E257 L258L77-G79 PolarHBondContact O-N 3.06Å; L77-T80 HydrophobicContact CD2-CG2 3.91Å; L77-T80 HydrophobicContact CG-CG2 4.19Å; L77-T80 PolarHBondContact O-N 3.43Å; L77-T80 VanDerWaalsContact O-N 3.08Å; L77-T80 PolarHBondContact O-OG1 3.47Å; L77-L82 HydrophobicContact CB-CB 4.21Å; L77-L82 HydrophobicContact CB-CD2 3.75Å; L77-A235 HydrophobicContact CD2-CB 3.96Å; L77-L254 HydrophobicContact CD2-CD1 3.86Å; L77-L254 HydrophobicContact CD2-CG 4.21Å; L77-E257 HydrophobicContact CD1-CB 4.1Å; L77-L258 HydrophobicContact CB-CD2 4.32Å
78S91.5Very high96.4Very high104 Ų10427.6 Ų27.673%0.72717%0.173SC*.THydrogen-bonded Turntrans-52.6137.2-179.5-610000112T80S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.36Å
79G89.8Confident96.5Very high77 Ų7726.5 Ų26.579%0.79416%0.162SC*.THydrogen-bonded Turntrans79.74.2-177.200000114.7L77L77-G79 PolarHBondContact O-N 3.06Å
80T91.2Very high96.5Very high24 Ų2426.3 Ų26.315%0.14716%0.161CC..SBendtrans-129.2163.4174.475.40000111L77 S78 L82 K239L77-T80 HydrophobicContact CD2-CG2 3.91Å; L77-T80 HydrophobicContact CG-CG2 4.19Å; L77-T80 PolarHBondContact O-N 3.43Å; L77-T80 VanDerWaalsContact O-N 3.08Å; L77-T80 PolarHBondContact O-OG1 3.47Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.36Å; T80-L82 PolarHBondContact O-N 3.28Å; T80-L82 WeakPolarHBondContact OG1-CB 3.3Å; T80-L82 PolarHBondContact OG1-N 3.01Å; T80-K239 HydrophobicContact CG2-CB 4.16Å
81N92.1Very high96.5Very high96 Ų9627.2 Ų27.251%0.51317%0.165SC..  trans-84.723.3172.6-65.3-14.6000112.7N83 M210N81-N83 PolarHBondContact O-N 2.93Å; N81-M210 VanDerWaalsContact CB-O 3.23Å; N81-M210 WeakPolarHBondContact CB-O 3.43Å; N81-M210 PolarHBondContact ND2-O 2.93Å
82L94.4Very high96.4Very high7 Ų730.7 Ų30.74%0.03719%0.19CC..  trans-64.2111.4178.9-175.176.5000109.6V75 F76 L77 T80 L84 Y234 A235 L238 L258V75-L82 HydrophobicContact CG1-CD2 4.45Å; F76-L82 WeakPolarHBondContact CA-O 3.2Å; L77-L82 HydrophobicContact CB-CB 4.21Å; L77-L82 HydrophobicContact CB-CD2 3.75Å; T80-L82 PolarHBondContact O-N 3.28Å; T80-L82 WeakPolarHBondContact OG1-CB 3.3Å; T80-L82 PolarHBondContact OG1-N 3.01Å; L82-L84 HydrophobicContact CD1-CD1 3.83Å; L82-L84 HydrophobicContact CD1-CG 3.83Å; L82-L84 HydrophobicContact CG-CD1 4.47Å; L82-L84 HydrophobicContact CG-CG 4.25Å; L82-Y234 HydrophobicContact CD1-CD1 3.75Å; L82-Y234 HydrophobicContact CD1-CE1 4.34Å; L82-Y234 HydrophobicContact CD1-CG 4.4Å; L82-A235 HydrophobicContact CD1-CB 4.13Å; L82-A235 HydrophobicContact CD2-CB 3.69Å; L82-A235 HydrophobicContact CG-CB 4.48Å; L82-L238 HydrophobicContact CB-CD1 3.86Å; L82-L238 HydrophobicContact CD1-CD1 3.73Å; L82-L238 HydrophobicContact CG-CD1 4.44Å; L82-L258 HydrophobicContact CD2-CD2 3.64Å
83N95.3Very high96.3Very high47 Ų4733.9 Ų33.925%0.25121%0.207SC..  trans-129.691.9175.4-171.63000109.3N81 G212 P215 T216N81-N83 PolarHBondContact O-N 2.93Å; N83-G212 PolarHBondContact ND2-O 2.89Å; N83-P215 WeakPolarHBondContact O-CA 3.38Å; N83-P215 WeakPolarHBondContact OD1-CB 3.41Å; N83-T216 PolarHBondContact O-N 3.03Å; N83-T216 VanDerWaalsContact O-N 3.07Å
84L97.3Very high96.2Very high0 Ų034.2 Ų34.20%021%0.209CC..EExtended strand (participates in β ladder)trans-116.3154.6178.6-61.2-177.1000111.2H74 V75 L82 L86 T216 V218 A231 Y234H74-L84 WeakPolarHBondContact CA-O 3.42Å; V75-L84 HydrophobicContact CB-CB 4.23Å; V75-L84 PolarHBondContact N-O 2.95Å; V75-L84 PolarHBondContact O-N 3.41Å; L82-L84 HydrophobicContact CD1-CD1 3.83Å; L82-L84 HydrophobicContact CD1-CG 3.83Å; L82-L84 HydrophobicContact CG-CD1 4.47Å; L82-L84 HydrophobicContact CG-CG 4.25Å; L84-L86 HydrophobicContact CB-CD1 3.74Å; L84-L86 HydrophobicContact CD1-CD1 3.91Å; L84-L86 HydrophobicContact CG-CD1 4.49Å; L84-T216 WeakPolarHBondContact CA-O 3.45Å; L84-T216 HydrophobicContact CD2-CG2 4.23Å; L84-V218 HydrophobicContact CD1-CG2 4.41Å; L84-V218 HydrophobicContact CD2-CG2 4.1Å; L84-A231 HydrophobicContact CD1-CB 3.8Å; L84-Y234 HydrophobicContact CD1-CD1 4.23Å; L84-Y234 HydrophobicContact CD2-CD1 3.94Å; L84-Y234 HydrophobicContact CD2-CE1 3.88Å; L84-Y234 HydrophobicContact CG-CD1 4.41Å
85I98.7Very high96.2Very high0 Ų033.1 Ų33.10%020%0.204CC..EExtended strand (participates in β ladder)trans-117.4115.6159.6-68.5169.8000107.9V62 A72 N73 M101 K105 P215 T216 V217 V218V62-I85 HydrophobicContact CG2-CD1 4.27Å; V62-I85 HydrophobicContact CG2-CG1 4.23Å; V62-I85 HydrophobicContact CG2-CG2 3.78Å; A72-I85 HydrophobicContact CB-CG2 3.93Å; N73-I85 CarbonylContact O-C 3.55Å; N73-I85 WeakPolarHBondContact O-CA 3.44Å; I85-M101 HydrophobicContact CG2-CE 4.03Å; I85-M101 HydrophobicContact CG2-SD 3.68Å; I85-K105 HydrophobicContact CD1-CB 3.88Å; I85-K105 HydrophobicContact CD1-CG 3.89Å; I85-P215 HydrophobicContact CD1-CB 3.79Å; I85-P215 HydrophobicContact CD1-CG 3.75Å; I85-P215 HydrophobicContact CG1-CB 3.84Å; I85-P215 HydrophobicContact CG1-CG 4.34Å; I85-T216 PolarHBondContact N-O 2.82Å; I85-V217 HydrophobicContact CB-CG2 4.16Å; I85-V217 CarbonylContact O-C 3.59Å; I85-V217 WeakPolarHBondContact O-CA 3.39Å; I85-V218 PolarHBondContact O-N 2.82Å
86L98.8Very high96.1Very high0 Ų033.9 Ų33.90%021%0.209CC..EExtended strand (participates in β ladder)trans-96.3126.3173.7-89.764.8000109.7A72 N73 V75 L84 V218 A231 L265A72-L86 CarbonylContact C-O 3.53Å; A72-L86 VanDerWaalsContact CA-O 3.26Å; A72-L86 WeakPolarHBondContact CA-O 3.41Å; N73-L86 PolarHBondContact N-O 3.11Å; N73-L86 PolarHBondContact O-N 3.47Å; V75-L86 HydrophobicContact CB-CD1 4.15Å; V75-L86 HydrophobicContact CG2-CB 4.07Å; V75-L86 HydrophobicContact CG2-CD1 3.97Å; V75-L86 HydrophobicContact CG2-CD2 4.29Å; V75-L86 HydrophobicContact CG2-CG 4.31Å; L84-L86 HydrophobicContact CB-CD1 3.74Å; L84-L86 HydrophobicContact CD1-CD1 3.91Å; L84-L86 HydrophobicContact CG-CD1 4.49Å; L86-V218 WeakPolarHBondContact CA-O 3.36Å; L86-V218 HydrophobicContact CD1-CB 4.06Å; L86-V218 HydrophobicContact CD1-CG2 4.4Å; L86-V218 HydrophobicContact CG-CB 4.34Å; L86-A231 HydrophobicContact CD1-CB 4.33Å; L86-A231 HydrophobicContact CD2-CB 4.15Å; L86-L265 HydrophobicContact CD2-CD1 4.31Å; L86-L265 HydrophobicContact CD2-CD2 3.45Å; L86-L265 VanDerWaalsContact CD2-CD2 3.45Å
87T98.9Very high96.2Very high3 Ų330.2 Ų30.22%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-139.2160.8-176.8-1720000111.7N71 F98 M101 V217 V218 H219 G223N71-T87 WeakPolarHBondContact O-CA 3.49Å; N71-T87 WeakPolarHBondContact O-CB 3.29Å; N71-T87 PolarHBondContact O-OG1 3.08Å; T87-F98 HydrophobicContact CG2-CD2 4.3Å; T87-F98 HydrophobicContact CG2-CE2 3.97Å; T87-M101 HydrophobicContact CG2-CE 4.11Å; T87-V217 HydrophobicContact CG2-CG1 3.82Å; T87-V218 PolarHBondContact N-O 3.32Å; T87-H219 HydrophobicContact CG2-CB 3.76Å; T87-H219 WeakPolarHBondContact O-CA 3.33Å; T87-H219 WeakPolarHBondContact O-CB 3.45Å; T87-G223 WeakPolarHBondContact O-CA 3.33Å
88Q98.7Very high96.4Very high5 Ų529.3 Ų29.32%0.02319%0.19CC..PPolyproline II helixtrans-65.9161.9170.470-177.618.600111.4L48 N71 P90 S221L48-Q88 PolarHBondContact O-NE2 3.2Å; N71-Q88 HydrophobicContact CB-CG 4.2Å; N71-Q88 PolarHBondContact O-N 3.28Å; Q88-P90 WeakPolarHBondContact O-CD 3.26Å; Q88-S221 WeakPolarHBondContact CA-O 3.45Å
89G98.4Very high96.7Very high0 Ų024.4 Ų24.40%016%0.155CC..PPolyproline II helixtrans-61.5123.6166.800000109.5R50 C220 S221R50-G89 PolarHBondContact NE-O 3.16Å; R50-G89 PolarHBondContact NH2-O 2.9Å; G89-C220 WeakPolarHBondContact CA-O 3.45Å; G89-C220 PolarHBondContact N-O 3.48Å; G89-C220 VanDerWaalsContact N-O 3.1Å; G89-S221 PolarHBondContact N-O 3.33Å
90P98.3Very high97.1Very high2 Ų221.6 Ų21.61%0.01312%0.121CC..PPolyproline II helixtrans-51.2143.9-176.6-30.436.6000112.3R50 Q88 F98 S124 F125 Y127R50-P90 PolarHBondContact NH2-O 2.92Å; Q88-P90 WeakPolarHBondContact O-CD 3.26Å; P90-F98 HydrophobicContact CB-CB 4.26Å; P90-F98 HydrophobicContact CB-CG 4.34Å; P90-F98 HydrophobicContact CG-CB 3.95Å; P90-F98 HydrophobicContact CG-CD1 4Å; P90-F98 HydrophobicContact CG-CD2 3.46Å; P90-F98 VanDerWaalsContact CG-CD2 3.46Å; P90-F98 HydrophobicContact CG-CE1 4.37Å; P90-F98 HydrophobicContact CG-CE2 3.85Å; P90-F98 HydrophobicContact CG-CG 3.52Å; P90-F98 HydrophobicContact CG-CZ 4.29Å; P90-S124 WeakPolarHBondContact CD-OG 3.49Å; P90-F125 WeakPolarHBondContact O-CB 3.44Å; P90-F125 PolarHBondContact O-N 3.23Å; P90-Y127 HydrophobicContact CB-CD1 4.16Å; P90-Y127 HydrophobicContact CG-CD1 3.74Å; P90-Y127 HydrophobicContact CG-CE1 4.11Å; P90-Y127 HydrophobicContact CG-CG 4.26Å
91M97.9Very high97.5Very high25 Ų2520.4 Ų20.412%0.12311%0.114CC..PPolyproline II helixtrans-100.6168.4172.4-58.7-173-62.200109.6E47 L48 R50 N93 T94 Q95E47-M91 WeakPolarHBondContact O-CE 3.34Å; L48-M91 VanDerWaalsContact O-CE 3.28Å; L48-M91 WeakPolarHBondContact O-CE 3.38Å; R50-M91 VanDerWaalsContact CA-SD 3.51Å; R50-M91 HydrophobicContact CB-CG 4.31Å; R50-M91 HydrophobicContact CB-SD 3.78Å; R50-M91 HydrophobicContact CG-SD 4.38Å; M91-N93 WeakPolarHBondContact CB-OD1 3.49Å; M91-N93 PolarHBondContact O-N 2.88Å; M91-T94 WeakPolarHBondContact CA-OG1 3.47Å; M91-T94 WeakPolarHBondContact CB-OG1 3.45Å; M91-T94 HydrophobicContact CE-CG2 4.01Å; M91-T94 PolarHBondContact N-OG1 3.19Å; M91-T94 PolarHBondContact O-N 3.3Å; M91-T94 VanDerWaalsContact O-N 3.08Å; M91-Q95 PolarHBondContact O-N 2.87Å
92S96.2Very high97.8Very high75 Ų7516 Ų1652%0.5249%0.091SC..THydrogen-bonded Turntrans-57.2-37.5178.849.60000112.6Q95S92-Q95 PolarHBondContact O-NE2 3.33Å
93N97.4Very high98Very high67 Ų6716.7 Ų16.736%0.3589%0.093SC..THydrogen-bonded Turntrans-85.4-8.1178.463.6-27.6000114.4E47 M91E47-N93 PolarHBondContact O-ND2 2.82Å; M91-N93 WeakPolarHBondContact CB-OD1 3.49Å; M91-N93 PolarHBondContact O-N 2.88Å
94T98.2Very high98.1Very high6 Ų616.6 Ų16.64%0.0379%0.091CC..THydrogen-bonded Turntrans-1194.7179.952.90000113.7L48 M91 S96 D97 F98L48-T94 HydrophobicContact CB-CG2 3.94Å; L48-T94 HydrophobicContact CD2-CG2 3.71Å; L48-T94 HydrophobicContact CG-CG2 4.41Å; M91-T94 WeakPolarHBondContact CA-OG1 3.47Å; M91-T94 WeakPolarHBondContact CB-OG1 3.45Å; M91-T94 HydrophobicContact CE-CG2 4.01Å; M91-T94 PolarHBondContact N-OG1 3.19Å; M91-T94 PolarHBondContact O-N 3.3Å; M91-T94 VanDerWaalsContact O-N 3.08Å; T94-S96 VanDerWaalsContact C-N 3.27Å; T94-S96 PolarHBondContact O-N 3.02Å; T94-D97 PolarHBondContact O-N 2.68Å; T94-F98 PolarHBondContact O-N 3.01Å
95Q97.1Very high98Very high31 Ų3119.3 Ų19.315%0.14510%0.103CC..Hα-helixtrans-64.5-31.9178.269.8-178-60.600112.6M91 S92 W99 F125 V143M91-Q95 PolarHBondContact O-N 2.87Å; S92-Q95 PolarHBondContact O-NE2 3.33Å; Q95-W99 VanDerWaalsContact O-CD1 3.23Å; Q95-W99 PolarHBondContact O-N 3.39Å; Q95-W99 VanDerWaalsContact O-N 3.16Å; Q95-F125 HydrophobicContact CB-CD1 4.42Å; Q95-V143 HydrophobicContact CG-CG1 3.9Å
96S97.2Very high97.9Very high17 Ų1725.7 Ų25.712%0.11913%0.13CC..Hα-helixtrans-69.1-47.7176.6-170.50000110.9T94 F98 W99 Q100 V143 D144T94-S96 VanDerWaalsContact C-N 3.27Å; T94-S96 PolarHBondContact O-N 3.02Å; S96-F98 PolarHBondContact O-N 2.92Å; S96-W99 PolarHBondContact O-N 2.72Å; S96-W99 VanDerWaalsContact O-N 3.15Å; S96-Q100 WeakPolarHBondContact O-CB 3.43Å; S96-Q100 PolarHBondContact O-N 2.66Å; S96-V143 VanDerWaalsContact CA-CG1 3.45Å; S96-D144 WeakPolarHBondContact CB-OD2 2.88Å; S96-D144 PolarHBondContact OG-OD2 2.74Å
97D98.4Very high97.8Very high27 Ų2725.9 Ų25.914%0.14413%0.132CC..Hα-helixtrans-57.7-39.1174.5-56-44.6000111.8L64 I70 T94 Q100 M101L64-D97 HydrophobicContact CD1-CB 3.89Å; I70-D97 HydrophobicContact CB-CB 4.44Å; I70-D97 HydrophobicContact CD1-CB 4.1Å; I70-D97 HydrophobicContact CG1-CB 4.47Å; T94-D97 PolarHBondContact O-N 2.68Å; D97-Q100 PolarHBondContact O-N 2.91Å; D97-M101 WeakPolarHBondContact O-CB 2.96Å; D97-M101 PolarHBondContact O-N 2.92Å
98F98.7Very high97.5Very high3 Ų328.7 Ų28.71%0.01315%0.149CC..Hα-helixtrans-60-52.1175.4179.3-96.2000111.3T87 P90 T94 S96 Q100 M101 I102 I110 Y127 V217T87-F98 HydrophobicContact CG2-CD2 4.3Å; T87-F98 HydrophobicContact CG2-CE2 3.97Å; P90-F98 HydrophobicContact CB-CB 4.26Å; P90-F98 HydrophobicContact CB-CG 4.34Å; P90-F98 HydrophobicContact CG-CB 3.95Å; P90-F98 HydrophobicContact CG-CD1 4Å; P90-F98 HydrophobicContact CG-CD2 3.46Å; P90-F98 VanDerWaalsContact CG-CD2 3.46Å; P90-F98 HydrophobicContact CG-CE1 4.37Å; P90-F98 HydrophobicContact CG-CE2 3.85Å; P90-F98 HydrophobicContact CG-CG 3.52Å; P90-F98 HydrophobicContact CG-CZ 4.29Å; T94-F98 PolarHBondContact O-N 3.01Å; S96-F98 PolarHBondContact O-N 2.92Å; F98-Q100 VanDerWaalsContact C-N 3.34Å; F98-Q100 PolarHBondContact O-N 3.49Å; F98-M101 HydrophobicContact CD2-CE 3.98Å; F98-M101 HydrophobicContact CE2-CE 4.22Å; F98-M101 WeakPolarHBondContact O-CB 3.47Å; F98-M101 PolarHBondContact O-N 2.94Å; F98-I102 HydrophobicContact CD1-CG1 4.29Å; F98-I102 HydrophobicContact CE1-CD1 4.38Å; F98-I102 HydrophobicContact CE1-CG1 3.99Å; F98-I102 HydrophobicContact CZ-CD1 4.16Å; F98-I102 HydrophobicContact CZ-CG1 4.27Å; F98-I102 WeakPolarHBondContact O-CG1 3.3Å; F98-I102 PolarHBondContact O-N 2.88Å; F98-I110 HydrophobicContact CE1-CD1 4.07Å; F98-I110 HydrophobicContact CZ-CD1 4.09Å; F98-I110 HydrophobicContact CZ-CG2 4.23Å; F98-Y127 HydrophobicContact CD1-CD2 4.44Å; F98-Y127 AromaticContact CE1-CD2 3.99Å; F98-Y127 HydrophobicContact CE1-CD2 3.99Å; F98-Y127 AromaticContact CE1-CE2 3.91Å; F98-Y127 HydrophobicContact CE1-CE2 3.91Å; F98-Y127 HydrophobicContact CZ-CE2 4.31Å; F98-V217 HydrophobicContact CE2-CG1 4.08Å; F98-V217 HydrophobicContact CZ-CG1 4.45Å
99W98.3Very high97.4Very high0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-68.2-33.5179.1-73.3120.5000113Q95 S96 I102 W103 I110 Y127 Y146 I148 L164 L166Q95-W99 VanDerWaalsContact O-CD1 3.23Å; Q95-W99 PolarHBondContact O-N 3.39Å; Q95-W99 VanDerWaalsContact O-N 3.16Å; S96-W99 PolarHBondContact O-N 2.72Å; S96-W99 VanDerWaalsContact O-N 3.15Å; W99-I102 HydrophobicContact CE3-CB 4.15Å; W99-I102 HydrophobicContact CE3-CG1 4.03Å; W99-I102 HydrophobicContact CE3-CG2 4.28Å; W99-I102 HydrophobicContact CZ3-CG1 4.26Å; W99-I102 HydrophobicContact CZ3-CG2 4.29Å; W99-I102 PolarHBondContact O-N 3.42Å; W99-W103 WeakPolarHBondContact O-CB 3.44Å; W99-W103 PolarHBondContact O-N 2.83Å; W99-I110 HydrophobicContact CH2-CD1 4Å; W99-I110 HydrophobicContact CZ3-CD1 3.9Å; W99-Y127 HydrophobicContact CH2-CD2 4.41Å; W99-Y127 AromaticContact CZ2-CD2 3.7Å; W99-Y127 HydrophobicContact CZ2-CD2 3.7Å; W99-Y127 HydrophobicContact CZ2-CE2 4.28Å; W99-Y127 WeakPolarHBondContact CZ2-O 3.39Å; W99-Y127 PolarHBondContact NE1-O 2.73Å; W99-Y146 HydrophobicContact CB-CD2 4.19Å; W99-Y146 HydrophobicContact CB-CG 4.39Å; W99-I148 HydrophobicContact CD2-CD1 3.87Å; W99-I148 HydrophobicContact CD2-CG1 3.75Å; W99-I148 HydrophobicContact CE3-CG1 4.04Å; W99-I148 HydrophobicContact CG-CD1 3.86Å; W99-I148 HydrophobicContact CG-CG1 4.26Å; W99-I148 HydrophobicContact CH2-CG1 4.19Å; W99-I148 HydrophobicContact CH2-CG2 3.99Å; W99-I148 HydrophobicContact CZ2-CB 4.44Å; W99-I148 HydrophobicContact CZ2-CD1 4.42Å; W99-I148 HydrophobicContact CZ2-CG1 3.86Å; W99-I148 HydrophobicContact CZ2-CG2 3.99Å; W99-I148 HydrophobicContact CZ3-CG1 4.26Å; W99-L164 HydrophobicContact CH2-CD1 3.66Å; W99-L164 HydrophobicContact CZ3-CD1 4.4Å; W99-L166 HydrophobicContact CE3-CD1 4.01Å; W99-L166 HydrophobicContact CE3-CD2 4.33Å
100Q98.3Very high97.3Very high18 Ų1828.8 Ų28.88%0.08415%0.15CC..Hα-helixtrans-59.7-45.8170-178.4176.6-7.600111.3L64 N66 S96 D97 F98 W103 E104 Y146L64-Q100 HydrophobicContact CD2-CG 4.27Å; N66-Q100 VanDerWaalsContact CG-NE2 3.31Å; N66-Q100 PolarHBondContact ND2-NE2 2.94Å; N66-Q100 PolarHBondContact ND2-OE1 3.44Å; N66-Q100 PolarHBondContact OD1-NE2 2.92Å; S96-Q100 WeakPolarHBondContact O-CB 3.43Å; S96-Q100 PolarHBondContact O-N 2.66Å; D97-Q100 PolarHBondContact O-N 2.91Å; F98-Q100 VanDerWaalsContact C-N 3.34Å; F98-Q100 PolarHBondContact O-N 3.49Å; Q100-W103 PolarHBondContact O-N 3.48Å; Q100-E104 HydrophobicContact CG-CG 4.2Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.42Å; Q100-E104 PolarHBondContact NE2-OE1 3.12Å; Q100-E104 WeakPolarHBondContact O-CB 3.23Å; Q100-E104 WeakPolarHBondContact O-CG 3.43Å; Q100-E104 PolarHBondContact O-N 2.97Å; Q100-Y146 HydrophobicContact CB-CE2 3.73Å; Q100-Y146 HydrophobicContact CG-CE2 4.33Å
101M98.6Very high97.2Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-59.9-48.5175.3173.4179.974.800111.8V62 L64 I70 A72 I85 T87 D97 F98 W103 E104 K105 V217V62-M101 HydrophobicContact CB-SD 4.2Å; V62-M101 HydrophobicContact CG1-CG 3.87Å; V62-M101 HydrophobicContact CG1-SD 3.94Å; V62-M101 HydrophobicContact CG2-SD 4.06Å; L64-M101 HydrophobicContact CD2-CB 3.99Å; I70-M101 HydrophobicContact CD1-CB 4.03Å; I70-M101 HydrophobicContact CD1-CE 4.07Å; I70-M101 HydrophobicContact CD1-SD 3.87Å; I70-M101 HydrophobicContact CG2-SD 4.42Å; A72-M101 HydrophobicContact CB-CE 4.48Å; A72-M101 HydrophobicContact CB-SD 3.67Å; I85-M101 HydrophobicContact CG2-CE 4.03Å; I85-M101 HydrophobicContact CG2-SD 3.68Å; T87-M101 HydrophobicContact CG2-CE 4.11Å; D97-M101 WeakPolarHBondContact O-CB 2.96Å; D97-M101 PolarHBondContact O-N 2.92Å; F98-M101 HydrophobicContact CD2-CE 3.98Å; F98-M101 HydrophobicContact CE2-CE 4.22Å; F98-M101 WeakPolarHBondContact O-CB 3.47Å; F98-M101 PolarHBondContact O-N 2.94Å; M101-W103 PolarHBondContact O-N 2.9Å; M101-E104 PolarHBondContact O-N 2.94Å; M101-K105 HydrophobicContact CG-CG 4.23Å; M101-K105 WeakPolarHBondContact O-CB 3.48Å; M101-K105 WeakPolarHBondContact O-CG 3.26Å; M101-K105 PolarHBondContact O-N 2.86Å; M101-V217 HydrophobicContact CE-CG1 4.14Å; M101-V217 HydrophobicContact CE-CG2 4.45Å
102I98.4Very high97.2Very high2 Ų227.5 Ų27.51%0.0114%0.144CC..Hα-helixtrans-54.9-45.5176.8-62.7-53.3000110.4F98 W99 K106 C107 I110 L166 V177 V217F98-I102 HydrophobicContact CD1-CG1 4.29Å; F98-I102 HydrophobicContact CE1-CD1 4.38Å; F98-I102 HydrophobicContact CE1-CG1 3.99Å; F98-I102 HydrophobicContact CZ-CD1 4.16Å; F98-I102 HydrophobicContact CZ-CG1 4.27Å; F98-I102 WeakPolarHBondContact O-CG1 3.3Å; F98-I102 PolarHBondContact O-N 2.88Å; W99-I102 HydrophobicContact CE3-CB 4.15Å; W99-I102 HydrophobicContact CE3-CG1 4.03Å; W99-I102 HydrophobicContact CE3-CG2 4.28Å; W99-I102 HydrophobicContact CZ3-CG1 4.26Å; W99-I102 HydrophobicContact CZ3-CG2 4.29Å; W99-I102 PolarHBondContact O-N 3.42Å; I102-K106 PolarHBondContact O-N 2.95Å; I102-C107 HydrophobicContact CD1-CB 4.03Å; I102-C107 HydrophobicContact CG2-CB 4.1Å; I102-C107 PolarHBondContact O-N 3.01Å; I102-I110 HydrophobicContact CD1-CD1 3.98Å; I102-I110 HydrophobicContact CD1-CG1 3.9Å; I102-I110 HydrophobicContact CG1-CD1 4.14Å; I102-L166 HydrophobicContact CB-CD2 4.25Å; I102-L166 HydrophobicContact CG2-CD2 3.65Å; I102-V177 HydrophobicContact CG2-CG1 4.3Å; I102-V177 HydrophobicContact CG2-CG2 3.89Å; I102-V217 HydrophobicContact CD1-CB 3.93Å; I102-V217 HydrophobicContact CD1-CG1 4.21Å; I102-V217 HydrophobicContact CD1-CG2 3.28Å
103W98.1Very high97.2Very high23 Ų2324 Ų249%0.08712%0.119CC..Hα-helixtrans-64.7-58178-177.3-99.1000112.4W99 Q100 M101 K105 K106 Y146 L166 S168 S171 E173 R175W99-W103 WeakPolarHBondContact O-CB 3.44Å; W99-W103 PolarHBondContact O-N 2.83Å; Q100-W103 PolarHBondContact O-N 3.48Å; M101-W103 PolarHBondContact O-N 2.9Å; W103-K105 VanDerWaalsContact C-N 3.31Å; W103-K105 PolarHBondContact O-N 2.85Å; W103-K106 PolarHBondContact O-N 2.84Å; W103-K106 VanDerWaalsContact O-N 3.12Å; W103-Y146 HydrophobicContact CB-CD1 4.24Å; W103-Y146 HydrophobicContact CB-CE1 3.51Å; W103-Y146 AromaticContact CD1-CE1 3.8Å; W103-Y146 HydrophobicContact CD2-CD1 4.48Å; W103-Y146 AromaticContact CD2-CE1 3.92Å; W103-Y146 HydrophobicContact CD2-CE1 3.92Å; W103-Y146 HydrophobicContact CE3-CE1 4.47Å; W103-Y146 HydrophobicContact CG-CD1 4.31Å; W103-Y146 AromaticContact CG-CE1 3.44Å; W103-Y146 HydrophobicContact CG-CE1 3.44Å; W103-Y146 VanDerWaalsContact CG-CE1 3.44Å; W103-L166 HydrophobicContact CB-CD2 4.2Å; W103-L166 HydrophobicContact CE3-CD2 3.87Å; W103-L166 HydrophobicContact CE3-CG 3.88Å; W103-L166 HydrophobicContact CZ3-CG 4.4Å; W103-S168 VanDerWaalsContact CE2-CB 3.43Å; W103-S168 VanDerWaalsContact CH2-CB 3.43Å; W103-S171 WeakPolarHBondContact CZ2-OG 3.26Å; W103-E173 HydrophobicContact CH2-CB 3.61Å; W103-E173 WeakPolarHBondContact CH2-O 3.49Å; W103-E173 HydrophobicContact CZ2-CB 4.01Å; W103-R175 HydrophobicContact CH2-CG 4.21Å; W103-R175 HydrophobicContact CZ3-CB 4.37Å; W103-R175 HydrophobicContact CZ3-CG 3.86Å; W103-R175 PolarHBondContact O-NH1 2.75Å
104E97.5Very high97.1Very high44 Ų4420.8 Ų20.821%0.20610%0.102CC..Hα-helixtrans-62.9-38.3-173.6-73179.7-168.900112.7L64 S65 Q100 M101 K106L64-E104 WeakPolarHBondContact CA-OE2 3.39Å; S65-E104 WeakPolarHBondContact CB-OE1 3.28Å; S65-E104 PolarHBondContact N-OE1 3.02Å; S65-E104 PolarHBondContact N-OE2 2.83Å; S65-E104 PolarHBondContact OG-OE1 3.07Å; Q100-E104 HydrophobicContact CG-CG 4.2Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.42Å; Q100-E104 PolarHBondContact NE2-OE1 3.12Å; Q100-E104 WeakPolarHBondContact O-CB 3.23Å; Q100-E104 WeakPolarHBondContact O-CG 3.43Å; Q100-E104 PolarHBondContact O-N 2.97Å; M101-E104 PolarHBondContact O-N 2.94Å; E104-K106 PolarHBondContact O-N 2.87Å
105K96.9Very high96.8Very high58 Ų5826.7 Ų26.725%0.25212%0.124SC..THydrogen-bonded Turntrans-86.14.4-179.1-53.6-46.9-179.9-153.10113.1V62 L63 I85 M101 W103 C107 P215V62-K105 HydrophobicContact CG1-CD 4.41Å; V62-K105 VanDerWaalsContact CG1-CE 3.43Å; V62-K105 HydrophobicContact CG1-CG 4.14Å; L63-K105 WeakPolarHBondContact O-CE 2.95Å; L63-K105 PolarHBondContact O-NZ 2.78Å; I85-K105 HydrophobicContact CD1-CB 3.88Å; I85-K105 HydrophobicContact CD1-CG 3.89Å; M101-K105 HydrophobicContact CG-CG 4.23Å; M101-K105 WeakPolarHBondContact O-CB 3.48Å; M101-K105 WeakPolarHBondContact O-CG 3.26Å; M101-K105 PolarHBondContact O-N 2.86Å; W103-K105 VanDerWaalsContact C-N 3.31Å; W103-K105 PolarHBondContact O-N 2.85Å; K105-C107 PolarHBondContact O-N 2.8Å; K105-P215 HydrophobicContact CB-CG 4Å; K105-P215 VanDerWaalsContact O-CD 3.22Å; K105-P215 WeakPolarHBondContact O-CD 3.26Å; K105-P215 WeakPolarHBondContact O-CG 3.45Å
106K96.1Very high96.7Very high133 Ų13326.9 Ų26.958%0.57812%0.124SC*.THydrogen-bonded Turntrans53.239.4178.4-54.6179.4179.4-179.80111.7I102 W103 E104 S214I102-K106 PolarHBondContact O-N 2.95Å; W103-K106 PolarHBondContact O-N 2.84Å; W103-K106 VanDerWaalsContact O-N 3.12Å; E104-K106 PolarHBondContact O-N 2.87Å; K106-S214 VanDerWaalsContact O-CB 3.29Å; K106-S214 WeakPolarHBondContact O-CB 3.22Å; K106-S214 PolarHBondContact O-OG 2.85Å
107C95.9Very high96.5Very high4 Ų430 Ų303%0.02714%0.143CC..  trans-66.9135.1179.9-52.50000109.7I102 K105 P215 V217I102-C107 HydrophobicContact CD1-CB 4.03Å; I102-C107 HydrophobicContact CG2-CB 4.1Å; I102-C107 PolarHBondContact O-N 3.01Å; K105-C107 PolarHBondContact O-N 2.8Å; C107-P215 WeakPolarHBondContact CA-O 3.47Å; C107-P215 WeakPolarHBondContact CB-O 3.41Å; C107-V217 HydrophobicContact CB-CG2 3.89Å; C107-V217 WeakPolarHBondContact SG-CG2 3.42Å
108T93.4Very high96.2Very high62 Ų6229 Ų2938%0.3814%0.137SC..  trans-106.3-16.2179.951.40000112.5V177 K178T108-V177 CarbonylContact O-C 3.59Å; T108-V177 WeakPolarHBondContact O-CA 3.19Å; T108-K178 PolarHBondContact O-N 3.49Å
109A95.6Very high95.7Very high7 Ų734.8 Ų34.86%0.05818%0.178CC..EExtended strand (participates in β ladder)trans-137.6144.8-178.800000112.4K178 Y180 L204 T216 V217A109-K178 CarbonylContact C-O 3.53Å; A109-K178 VanDerWaalsContact CA-O 3.27Å; A109-K178 WeakPolarHBondContact CA-O 3.15Å; A109-Y180 HydrophobicContact CB-CE2 4.06Å; A109-L204 HydrophobicContact CB-CD2 4Å; A109-T216 HydrophobicContact CB-CG2 3.99Å; A109-V217 PolarHBondContact O-N 2.79Å
110I97.2Very high95.4Very high0 Ų038.1 Ų38.10%021%0.212CC..EExtended strand (participates in β ladder)trans-126.1126.5170.8-58.7167.9000107.9F98 W99 I102 V177 K178 H179 Y180 V217F98-I110 HydrophobicContact CE1-CD1 4.07Å; F98-I110 HydrophobicContact CZ-CD1 4.09Å; F98-I110 HydrophobicContact CZ-CG2 4.23Å; W99-I110 HydrophobicContact CH2-CD1 4Å; W99-I110 HydrophobicContact CZ3-CD1 3.9Å; I102-I110 HydrophobicContact CD1-CD1 3.98Å; I102-I110 HydrophobicContact CD1-CG1 3.9Å; I102-I110 HydrophobicContact CG1-CD1 4.14Å; I110-V177 HydrophobicContact CD1-CG1 3.74Å; I110-V177 HydrophobicContact CG1-CG1 3.82Å; I110-K178 PolarHBondContact N-O 3.08Å; I110-H179 CarbonylContact O-C 3.47Å; I110-H179 WeakPolarHBondContact O-CA 3.31Å; I110-Y180 PolarHBondContact O-N 3.04Å; I110-V217 CarbonylContact C-O 3.56Å; I110-V217 WeakPolarHBondContact CA-O 3.47Å; I110-V217 HydrophobicContact CG1-CB 4.35Å
111V96.8Very high95.1Very high0 Ų045.7 Ų45.70%024%0.24CC..EExtended strand (participates in β ladder)trans-109.6109.8173.7-175.60000108.6L113 Y180 V200 L204 T216 V217 V218 H219 F230V111-L113 HydrophobicContact CG1-CD2 3.59Å; V111-L113 HydrophobicContact CG1-CG 4.03Å; V111-Y180 CarbonylContact C-O 3.52Å; V111-Y180 WeakPolarHBondContact CA-O 3.39Å; V111-Y180 HydrophobicContact CG2-CD2 4.4Å; V111-V200 HydrophobicContact CG1-CG1 4.37Å; V111-L204 HydrophobicContact CG2-CD1 3.74Å; V111-L204 HydrophobicContact CG2-CD2 4.19Å; V111-T216 HydrophobicContact CG2-CG2 3.82Å; V111-V217 PolarHBondContact N-O 2.95Å; V111-V218 HydrophobicContact CB-CG1 4.28Å; V111-V218 HydrophobicContact CB-CG2 4.22Å; V111-V218 HydrophobicContact CG1-CG1 4.47Å; V111-V218 HydrophobicContact CG2-CG2 4.46Å; V111-V218 WeakPolarHBondContact O-CA 2.95Å; V111-H219 PolarHBondContact O-N 3.04Å; V111-F230 HydrophobicContact CG1-CD2 4.2Å; V111-F230 HydrophobicContact CG1-CE2 4.02Å; V111-F230 HydrophobicContact CG1-CZ 4.43Å; V111-F230 HydrophobicContact CG2-CE2 4.47Å; V111-F230 HydrophobicContact CG2-CZ 4.15Å
112M97.1Very high94.9Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-100.1116.6177.9175.6166.9-179.400109.9T114 F116 Y127 Y180 H181 L182 H219M112-T114 HydrophobicContact CE-CG2 4.29Å; M112-T114 WeakPolarHBondContact CE-O 3.41Å; M112-T114 WeakPolarHBondContact CG-O 3.37Å; M112-F116 HydrophobicContact CE-CD1 3.73Å; M112-F116 HydrophobicContact CE-CE1 3.5Å; M112-F116 HydrophobicContact CE-CE2 4.38Å; M112-F116 HydrophobicContact CE-CG 4.27Å; M112-F116 HydrophobicContact CE-CZ 3.87Å; M112-F116 HydrophobicContact SD-CE1 4.2Å; M112-F116 HydrophobicContact SD-CZ 4.29Å; M112-Y127 HydrophobicContact SD-CE1 4.14Å; M112-Y127 PolarHBondContact SD-OH 2.88Å; M112-Y180 PolarHBondContact N-O 3.3Å; M112-H181 HydrophobicContact CB-CB 4.5Å; M112-H181 WeakPolarHBondContact O-CA 3.49Å; M112-L182 PolarHBondContact O-N 3.2Å; M112-H219 WeakPolarHBondContact CB-NE2 3.26Å; M112-H219 WeakPolarHBondContact CG-NE2 3.17Å
113L96.2Very high94.8Very high1 Ų150.7 Ų50.71%0.00527%0.271CS..  trans-10818.7-172.8-57.3173.7000113.1V111 L182 W185 V218 H219 C220 R226 F230V111-L113 HydrophobicContact CG1-CD2 3.59Å; V111-L113 HydrophobicContact CG1-CG 4.03Å; L113-L182 HydrophobicContact CD2-CB 4.05Å; L113-L182 HydrophobicContact CD2-CD2 4.09Å; L113-W185 HydrophobicContact CB-CE3 4Å; L113-W185 HydrophobicContact CB-CZ3 4.05Å; L113-W185 HydrophobicContact CD1-CH2 4.33Å; L113-W185 HydrophobicContact CD1-CZ3 3.75Å; L113-W185 HydrophobicContact CD2-CE3 4.04Å; L113-W185 HydrophobicContact CD2-CZ3 3.77Å; L113-W185 HydrophobicContact CG-CE3 4.41Å; L113-W185 HydrophobicContact CG-CZ3 4.06Å; L113-V218 HydrophobicContact CD1-CG1 3.69Å; L113-V218 HydrophobicContact CG-CG1 4.42Å; L113-H219 PolarHBondContact N-O 3.43Å; L113-C220 HydrophobicContact CB-CB 4.13Å; L113-R226 HydrophobicContact CB-CB 4.05Å; L113-R226 HydrophobicContact CD1-CB 4.15Å; L113-R226 WeakPolarHBondContact O-CD 3.22Å; L113-R226 PolarHBondContact O-NH1 2.92Å; L113-F230 HydrophobicContact CD1-CB 3.77Å; L113-F230 HydrophobicContact CD1-CG 4.38Å
114T94.5Very high94.7Very high1 Ų149.8 Ų49.81%0.00627%0.268CS..SBendtrans-145.9154.4-177.4-168.70000110.1M112 E118 K123 H181 C220 R226M112-T114 HydrophobicContact CE-CG2 4.29Å; M112-T114 WeakPolarHBondContact CE-O 3.41Å; M112-T114 WeakPolarHBondContact CG-O 3.37Å; T114-E118 WeakPolarHBondContact CA-OE1 3.5Å; T114-E118 VanDerWaalsContact OG1-CD 3.27Å; T114-E118 PolarHBondContact OG1-OE1 3.19Å; T114-K123 HydrophobicContact CG2-CB 4.32Å; T114-K123 WeakPolarHBondContact OG1-CB 3.31Å; T114-H181 PolarHBondContact O-NE2 2.94Å; T114-H181 VanDerWaalsContact O-NE2 3.1Å; T114-C220 VanDerWaalsContact CG2-C 3.47Å; T114-C220 WeakPolarHBondContact CG2-O 3.49Å; T114-R226 PolarHBondContact OG1-NH1 2.94Å
115R93.2Very high94.7Very high129 Ų12950.2 Ų50.249%0.48727%0.269SS..  trans-79.2161.2164-64.4178.4-68.9176.8-4.1109.6V117 E118 K123R115-V117 PolarHBondContact O-N 3.45Å; R115-E118 HydrophobicContact CB-CG 3.89Å; R115-E118 PolarHBondContact N-OE1 2.93Å; R115-K123 WeakPolarHBondContact O-CB 3.41Å
116F93.9Very high94.6Very high35 Ų3549.1 Ų49.115%0.15427%0.268CS..SBendtrans-60.1-37.1174.4-61.4-62.7000112.5M112 K123 S124 F125 P126 Y127 L128 C131M112-F116 HydrophobicContact CE-CD1 3.73Å; M112-F116 HydrophobicContact CE-CE1 3.5Å; M112-F116 HydrophobicContact CE-CE2 4.38Å; M112-F116 HydrophobicContact CE-CG 4.27Å; M112-F116 HydrophobicContact CE-CZ 3.87Å; M112-F116 HydrophobicContact SD-CE1 4.2Å; M112-F116 HydrophobicContact SD-CZ 4.29Å; F116-K123 PolarHBondContact O-N 3.43Å; F116-S124 WeakPolarHBondContact CA-O 3.34Å; F116-S124 WeakPolarHBondContact CB-O 3.25Å; F116-S124 WeakPolarHBondContact CD1-O 3.27Å; F116-S124 PolarHBondContact O-N 2.98Å; F116-F125 VanDerWaalsContact CD1-O 3.26Å; F116-F125 WeakPolarHBondContact CD1-O 3.29Å; F116-F125 VanDerWaalsContact CE1-O 3.22Å; F116-F125 WeakPolarHBondContact CE1-O 3.45Å; F116-P126 HydrophobicContact CD1-CB 4.3Å; F116-P126 HydrophobicContact CD2-CB 4.48Å; F116-P126 VanDerWaalsContact CE1-CA 3.47Å; F116-P126 HydrophobicContact CE1-CB 4.35Å; F116-P126 HydrophobicContact CG-CB 4.37Å; F116-P126 HydrophobicContact CZ-CB 4.46Å; F116-Y127 HydrophobicContact CE1-CD1 4.15Å; F116-Y127 HydrophobicContact CE1-CE1 4.17Å; F116-L128 HydrophobicContact CZ-CD1 4.13Å; F116-L128 HydrophobicContact CZ-CG 4.42Å; F116-C131 HydrophobicContact CD2-CB 4.35Å; F116-C131 HydrophobicContact CE2-CB 3.62Å; F116-C131 VanDerWaalsContact CE2-SG 3.57Å; F116-C131 HydrophobicContact CZ-CB 4.08Å
117V92.8Very high94.5Very high83 Ų8342.8 Ų42.850%0.50324%0.241SC..EExtended strand (participates in β ladder)trans-129.4132.6176-178.50000109.4R115 R121R115-V117 PolarHBondContact O-N 3.45Å; V117-R121 WeakPolarHBondContact CA-O 3.46Å
118E92.2Very high94.5Very high7 Ų742.6 Ų42.63%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-135.6129.5176-64.1175.9179.200109.4T114 R115 G120 R121 K123 R226T114-E118 WeakPolarHBondContact CA-OE1 3.5Å; T114-E118 VanDerWaalsContact OG1-CD 3.27Å; T114-E118 PolarHBondContact OG1-OE1 3.19Å; R115-E118 HydrophobicContact CB-CG 3.89Å; R115-E118 PolarHBondContact N-OE1 2.93Å; E118-G120 PolarHBondContact O-N 3Å; E118-G120 VanDerWaalsContact O-N 3.16Å; E118-R121 PolarHBondContact N-O 3.28Å; E118-R121 PolarHBondContact O-N 3.4Å; E118-K123 HydrophobicContact CB-CG 3.85Å; E118-K123 HydrophobicContact CG-CG 3.91Å; E118-R226 IonicContact OE1-CZ 2.7Å; E118-R226 IonicContact OE1-NH1 3.53Å; E118-R226 PolarHBondContact OE1-NH1 3.24Å; E118-R226 IonicContact OE1-NH2 3.47Å; E118-R226 PolarHBondContact OE1-NH2 3.33Å; E118-R226 IonicContact OE2-CZ 3.28Å; E118-R226 IonicContact OE2-NH1 2.73Å; E118-R226 IonicContact OE2-NH2 2.75Å; E118-R226 PolarHBondContact OE2-NH2 2.72Å
119S89.3Confident94.5Very high124 Ų12439.9 Ų39.987%0.86722%0.223SC*.THydrogen-bonded Turntrans49.541-176.9-54.80000112.9R121S119-R121 PolarHBondContact O-N 3.08Å
120G90.9Very high94.1Very high70 Ų7041.1 Ų41.172%0.72223%0.231SC*.THydrogen-bonded Turntrans74.31.6-179.500000115.7E118E118-G120 PolarHBondContact O-N 3Å; E118-G120 VanDerWaalsContact O-N 3.16Å
121R92.9Very high93.5Very high177 Ų17743 Ų4367%0.66824%0.243SC*.EExtended strand (participates in β ladder)trans-106.4135.6-178.9-62.7-176.8-177.5178.91.1111.3V117 E118 S119 K123V117-R121 WeakPolarHBondContact CA-O 3.46Å; E118-R121 PolarHBondContact N-O 3.28Å; E118-R121 PolarHBondContact O-N 3.4Å; S119-R121 PolarHBondContact O-N 3.08Å; R121-K123 PolarHBondContact O-N 2.91Å
122P94.5Very high92.6Very high90 Ų9046 Ų4658%0.58426%0.258SS*.EExtended strand (participates in β ladder)trans-67.1127.1173.828.1-33.2000110.3
123K95.9Very high91.1Very high16 Ų1648.1 Ų48.17%0.0728%0.279CS..  trans-111.1-29.6177.8-59.5-62-177172.90112.5R50 T114 R115 F116 E118 R121 D187 S221R50-K123 PolarHBondContact NE-O 2.88Å; T114-K123 HydrophobicContact CG2-CB 4.32Å; T114-K123 WeakPolarHBondContact OG1-CB 3.31Å; R115-K123 WeakPolarHBondContact O-CB 3.41Å; F116-K123 PolarHBondContact O-N 3.43Å; E118-K123 HydrophobicContact CB-CG 3.85Å; E118-K123 HydrophobicContact CG-CG 3.91Å; R121-K123 PolarHBondContact O-N 2.91Å; K123-D187 WeakPolarHBondContact CE-OD2 3.43Å; K123-D187 IonicContact NZ-OD2 2.65Å; K123-D187 PolarHBondContact NZ-OD2 3.03Å; K123-S221 WeakPolarHBondContact CA-OG 3.38Å; K123-S221 WeakPolarHBondContact CD-OG 3.39Å; K123-S221 WeakPolarHBondContact O-CA 3.15Å; K123-S221 PolarHBondContact O-OG 3.48Å
124S96.4Very high89.2Confident4 Ų456.3 Ų56.33%0.02832%0.323CS..SBendtrans-149.9146.3172.6-174.90000108.8P90 F116P90-S124 WeakPolarHBondContact CD-OG 3.49Å; F116-S124 WeakPolarHBondContact CA-O 3.34Å; F116-S124 WeakPolarHBondContact CB-O 3.25Å; F116-S124 WeakPolarHBondContact CD1-O 3.27Å; F116-S124 PolarHBondContact O-N 2.98Å
125F96.2Very high87.2Confident53 Ų5361.4 Ų61.423%0.23235%0.354CS..  trans-69.8144.8168.8-173.1-101.2000109.6P90 Q95 F116 Y127 H132P90-F125 WeakPolarHBondContact O-CB 3.44Å; P90-F125 PolarHBondContact O-N 3.23Å; Q95-F125 HydrophobicContact CB-CD1 4.42Å; F116-F125 VanDerWaalsContact CD1-O 3.26Å; F116-F125 WeakPolarHBondContact CD1-O 3.29Å; F116-F125 VanDerWaalsContact CE1-O 3.22Å; F116-F125 WeakPolarHBondContact CE1-O 3.45Å; F125-Y127 VanDerWaalsContact C-N 3.28Å; F125-Y127 VanDerWaalsContact O-CD1 3.24Å; F125-Y127 WeakPolarHBondContact O-CD1 3.47Å; F125-Y127 PolarHBondContact O-N 3.18Å; F125-H132 AromaticContact CE1-CE1 3.72Å; F125-H132 AromaticContact CE1-ND1 3.95Å
126P94.9Very high85.5Confident35 Ų3561.9 Ų61.923%0.22737%0.367CS..  trans-69.281.9174.228.7-35.8000112.1F116 L128 C131 H132F116-P126 HydrophobicContact CD1-CB 4.3Å; F116-P126 HydrophobicContact CD2-CB 4.48Å; F116-P126 VanDerWaalsContact CE1-CA 3.47Å; F116-P126 HydrophobicContact CE1-CB 4.35Å; F116-P126 HydrophobicContact CG-CB 4.37Å; F116-P126 HydrophobicContact CZ-CB 4.46Å; P126-L128 VanDerWaalsContact C-N 3.28Å; P126-L128 PolarHBondContact O-N 2.86Å; P126-C131 HydrophobicContact CB-CB 3.93Å; P126-C131 WeakPolarHBondContact CB-O 3.35Å; P126-H132 PolarHBondContact O-ND1 3.38Å
127Y95.8Very high83.9Confident0 Ų064.7 Ų64.70%040%0.396CS..  trans-84.84.5-177.565.9-99.9000113.9P90 F98 W99 M112 F116 F125 L141 H179 H219P90-Y127 HydrophobicContact CB-CD1 4.16Å; P90-Y127 HydrophobicContact CG-CD1 3.74Å; P90-Y127 HydrophobicContact CG-CE1 4.11Å; P90-Y127 HydrophobicContact CG-CG 4.26Å; F98-Y127 HydrophobicContact CD1-CD2 4.44Å; F98-Y127 AromaticContact CE1-CD2 3.99Å; F98-Y127 HydrophobicContact CE1-CD2 3.99Å; F98-Y127 AromaticContact CE1-CE2 3.91Å; F98-Y127 HydrophobicContact CE1-CE2 3.91Å; F98-Y127 HydrophobicContact CZ-CE2 4.31Å; W99-Y127 HydrophobicContact CH2-CD2 4.41Å; W99-Y127 AromaticContact CZ2-CD2 3.7Å; W99-Y127 HydrophobicContact CZ2-CD2 3.7Å; W99-Y127 HydrophobicContact CZ2-CE2 4.28Å; W99-Y127 WeakPolarHBondContact CZ2-O 3.39Å; W99-Y127 PolarHBondContact NE1-O 2.73Å; M112-Y127 HydrophobicContact SD-CE1 4.14Å; M112-Y127 PolarHBondContact SD-OH 2.88Å; F116-Y127 HydrophobicContact CE1-CD1 4.15Å; F116-Y127 HydrophobicContact CE1-CE1 4.17Å; F125-Y127 VanDerWaalsContact C-N 3.28Å; F125-Y127 VanDerWaalsContact O-CD1 3.24Å; F125-Y127 WeakPolarHBondContact O-CD1 3.47Å; F125-Y127 PolarHBondContact O-N 3.18Å; Y127-L141 WeakPolarHBondContact O-CD2 3.23Å; Y127-H179 AromaticContact CE2-NE2 3.92Å; Y127-H179 AromaticContact CZ-NE2 3.69Å; Y127-H179 PolarHBondContact OH-NE2 2.78Å; Y127-H219 AromaticContact CE1-CE1 3.76Å; Y127-H219 AromaticContact CE1-NE2 3.52Å; Y127-H219 AromaticContact CZ-NE2 3.47Å; Y127-H219 PolarHBondContact OH-NE2 2.73Å
128L95.2Very high83.3Confident0 Ų063.4 Ų63.40%039%0.391CS..SBendtrans-105.6141.9-179.1-65.3175000111.1F116 P126 S130 C131 H132 L164F116-L128 HydrophobicContact CZ-CD1 4.13Å; F116-L128 HydrophobicContact CZ-CG 4.42Å; P126-L128 VanDerWaalsContact C-N 3.28Å; P126-L128 PolarHBondContact O-N 2.86Å; L128-S130 PolarHBondContact O-N 3.4Å; L128-C131 HydrophobicContact CB-CB 4.44Å; L128-C131 CarbonylContact O-C 3.59Å; L128-C131 PolarHBondContact O-N 3.29Å; L128-H132 WeakPolarHBondContact O-CB 3.39Å; L128-H132 PolarHBondContact O-N 2.78Å; L128-L164 HydrophobicContact CD2-CD1 3.89Å; L128-L164 HydrophobicContact CD2-CD2 4.43Å
129P92.5Very high83.1Confident5 Ų567.9 Ų67.93%0.03242%0.415CS..G310 helixtrans-48-50.2178.2-27.531.1000115C131 H132 N139 L141 I148 E150P129-C131 PolarHBondContact O-N 2.91Å; P129-H132 PolarHBondContact O-N 3.4Å; P129-N139 VanDerWaalsContact CB-C 3.48Å; P129-L141 HydrophobicContact CB-CB 4.13Å; P129-L141 HydrophobicContact CG-CB 3.69Å; P129-I148 HydrophobicContact CG-CB 4.3Å; P129-I148 HydrophobicContact CG-CG2 4.07Å; P129-I148 VanDerWaalsContact CG-O 3.24Å; P129-I148 WeakPolarHBondContact CG-O 3.49Å; P129-E150 HydrophobicContact CB-CG 4.14Å; P129-E150 VanDerWaalsContact CD-OE1 3.25Å; P129-E150 WeakPolarHBondContact CD-OE1 3.27Å; P129-E150 HydrophobicContact CG-CG 3.91Å
130S87.7Confident83.3Confident33 Ų3364.7 Ų64.723%0.23139%0.39CS..G310 helixtrans-64.5-13.3-177.6550000114.5L128 E150L128-S130 PolarHBondContact O-N 3.4Å; S130-E150 WeakPolarHBondContact CB-OE1 3.36Å; S130-E150 WeakPolarHBondContact CB-OE2 3.08Å; S130-E150 PolarHBondContact N-OE1 2.85Å; S130-E150 PolarHBondContact OG-OE1 3.34Å; S130-E150 PolarHBondContact OG-OE2 3.06Å
131C84.8Confident83.5Confident39 Ų3961.7 Ų61.726%0.26436%0.358SS..G310 helixtrans-117.9-4.7-175.2-56.20000111.9F116 P126 L128 P129 G133F116-C131 HydrophobicContact CD2-CB 4.35Å; F116-C131 HydrophobicContact CE2-CB 3.62Å; F116-C131 VanDerWaalsContact CE2-SG 3.57Å; F116-C131 HydrophobicContact CZ-CB 4.08Å; P126-C131 HydrophobicContact CB-CB 3.93Å; P126-C131 WeakPolarHBondContact CB-O 3.35Å; L128-C131 HydrophobicContact CB-CB 4.44Å; L128-C131 CarbonylContact O-C 3.59Å; L128-C131 PolarHBondContact O-N 3.29Å; P129-C131 PolarHBondContact O-N 2.91Å; C131-G133 PolarHBondContact O-N 3.14Å
132H77Confident83.6Confident65 Ų6556.7 Ų56.730%0.30135%0.347SS..SBendtrans-85.5115.3-171.6-161.685.8000111.5F125 P126 L128 P129 L141F125-H132 AromaticContact CE1-CE1 3.72Å; F125-H132 AromaticContact CE1-ND1 3.95Å; P126-H132 PolarHBondContact O-ND1 3.38Å; L128-H132 WeakPolarHBondContact O-CB 3.39Å; L128-H132 PolarHBondContact O-N 2.78Å; P129-H132 PolarHBondContact O-N 3.4Å; H132-L141 HydrophobicContact CB-CD1 4.06Å; H132-L141 VanDerWaalsContact CD2-CD1 3.45Å; H132-L141 WeakPolarHBondContact CD2-CD1 3.48Å; H132-L141 VanDerWaalsContact CG-CD1 3.46Å
133G66.5Low83.6Confident44 Ų4452.9 Ų52.945%0.45432%0.322SS..SBendtrans73.5177.7-177.200000113.6C131 T135C131-G133 PolarHBondContact O-N 3.14Å; G133-T135 PolarHBondContact O-N 3.1Å
134N55.6Low83.5Confident172 Ų17257.8 Ų57.892%0.9235%0.349SS*.SBendtrans-82.8-0.8-179.3-73.8-11000113.3
135T52.5Low83.5Confident108 Ų10859.1 Ų59.166%0.66336%0.358SS*.  trans-104.589.6-179.354.20000108.8G133 A137G133-T135 PolarHBondContact O-N 3.1Å; T135-A137 PolarHBondContact O-N 2.9Å
136N57.2Low83.5Confident140 Ų14057.3 Ų57.375%0.74935%0.35SS*.THydrogen-bonded Turntrans-63.330.2175.7-69.1-16.5000114.1
137A62.1Low83.6Confident93 Ų9357 Ų5777%0.76935%0.345SS*.THydrogen-bonded Turntrans-107.8-16.5-168.100000114T135T135-A137 PolarHBondContact O-N 2.9Å
138S78.6Confident83.7Confident56 Ų5657 Ų5739%0.39235%0.345SS..  trans-106.7121.7-179.3-173.20000111.4V140S138-V140 PolarHBondContact O-N 3.41Å; S138-V140 PolarHBondContact OG-N 2.94Å; S138-V140 PolarHBondContact OG-O 3.28Å
139N89.2Confident83.8Confident102 Ų10262.2 Ų62.255%0.54537%0.365SS..SBendtrans-78.89.5165.7-69.9-13.9000112P129 R149 E150P129-N139 VanDerWaalsContact CB-C 3.48Å; N139-R149 CarbonylContact O-C 3.53Å; N139-R149 VanDerWaalsContact O-CA 3.27Å; N139-R149 WeakPolarHBondContact O-CA 3.38Å; N139-E150 HydrophobicContact CB-CB 4.5Å; N139-E150 PolarHBondContact O-N 3.43Å
140V93.4Very high83.9Confident56 Ų5662.8 Ų62.834%0.33937%0.367SS..EExtended strand (participates in β ladder)trans-124.6128.9-178.1-173.20000110.3S138 E147 I148 R149S138-V140 PolarHBondContact O-N 3.41Å; S138-V140 PolarHBondContact OG-N 2.94Å; S138-V140 PolarHBondContact OG-O 3.28Å; V140-E147 HydrophobicContact CG1-CG 3.44Å; V140-E147 VanDerWaalsContact CG1-CG 3.44Å; V140-I148 WeakPolarHBondContact CA-O 3.24Å; V140-R149 HydrophobicContact CG1-CG 4.32Å; V140-R149 HydrophobicContact CG2-CG 4.06Å
141L94.5Very high84.2Confident8 Ų864.3 Ų64.34%0.04238%0.378CS..EExtended strand (participates in β ladder)trans-117.6125.8169.7176.260.4000108.7Y127 P129 H132 V143 E147 I148Y127-L141 WeakPolarHBondContact O-CD2 3.23Å; P129-L141 HydrophobicContact CB-CB 4.13Å; P129-L141 HydrophobicContact CG-CB 3.69Å; H132-L141 HydrophobicContact CB-CD1 4.06Å; H132-L141 VanDerWaalsContact CD2-CD1 3.45Å; H132-L141 WeakPolarHBondContact CD2-CD1 3.48Å; H132-L141 VanDerWaalsContact CG-CD1 3.46Å; L141-V143 HydrophobicContact CD1-CG2 4.22Å; L141-V143 HydrophobicContact CD2-CG2 3.91Å; L141-V143 HydrophobicContact CG-CG2 3.76Å; L141-E147 CarbonylContact O-C 3.55Å; L141-E147 WeakPolarHBondContact O-CA 3.15Å; L141-I148 HydrophobicContact CB-CB 4.47Å; L141-I148 PolarHBondContact N-O 2.94Å; L141-I148 PolarHBondContact O-N 3.47Å
142T94.9Very high84.6Confident72 Ų7266.8 Ų66.844%0.44239%0.389SS..EExtended strand (participates in β ladder)trans-100.4127.1168.7-77.90000109Y146 K169T142-Y146 WeakPolarHBondContact CA-O 3.37Å; T142-K169 PolarHBondContact OG1-NZ 3.4Å
143V94.6Very high85.4Confident10 Ų1066.6 Ų66.66%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-129.3107.5171.7-172.50000108Q95 S96 L141 S145 Y146 I148Q95-V143 HydrophobicContact CG-CG1 3.9Å; S96-V143 VanDerWaalsContact CA-CG1 3.45Å; L141-V143 HydrophobicContact CD1-CG2 4.22Å; L141-V143 HydrophobicContact CD2-CG2 3.91Å; L141-V143 HydrophobicContact CG-CG2 3.76Å; V143-S145 PolarHBondContact O-N 2.67Å; V143-S145 VanDerWaalsContact O-N 3.12Å; V143-Y146 PolarHBondContact N-O 2.79Å; V143-Y146 WeakPolarHBondContact O-CA 3.4Å; V143-Y146 WeakPolarHBondContact O-CB 3.43Å; V143-Y146 PolarHBondContact O-N 2.96Å; V143-I148 HydrophobicContact CG2-CD1 4.18Å
144D94.7Very high86.7Confident118 Ų11867.5 Ų67.563%0.63139%0.386SS*.THydrogen-bonded Turntrans46.4-113.4-174.6-63.4-22.2000113.4S96 Y146S96-D144 WeakPolarHBondContact CB-OD2 2.88Å; S96-D144 PolarHBondContact OG-OD2 2.74Å; D144-Y146 VanDerWaalsContact C-N 3.26Å; D144-Y146 PolarHBondContact O-N 2.82Å
145S94.9Very high88.4Confident32 Ų3266.8 Ų66.822%0.22438%0.375CS..THydrogen-bonded Turntrans-854.7-178.8-59.70000113.5V143 K169 K170V143-S145 PolarHBondContact O-N 2.67Å; V143-S145 VanDerWaalsContact O-N 3.12Å; S145-K169 WeakPolarHBondContact O-CB 3.45Å; S145-K169 WeakPolarHBondContact O-CG 3.39Å; S145-K169 PolarHBondContact O-N 2.87Å; S145-K170 VanDerWaalsContact OG-CE 3.3Å; S145-K170 WeakPolarHBondContact OG-CE 3.36Å
146Y97.4Very high90.1Very high16 Ų1664.6 Ų64.66%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-118.4142.3-175.9-56.6-70.7000111.4W99 Q100 W103 T142 V143 D144 L166 L167W99-Y146 HydrophobicContact CB-CD2 4.19Å; W99-Y146 HydrophobicContact CB-CG 4.39Å; Q100-Y146 HydrophobicContact CB-CE2 3.73Å; Q100-Y146 HydrophobicContact CG-CE2 4.33Å; W103-Y146 HydrophobicContact CB-CD1 4.24Å; W103-Y146 HydrophobicContact CB-CE1 3.51Å; W103-Y146 AromaticContact CD1-CE1 3.8Å; W103-Y146 HydrophobicContact CD2-CD1 4.48Å; W103-Y146 AromaticContact CD2-CE1 3.92Å; W103-Y146 HydrophobicContact CD2-CE1 3.92Å; W103-Y146 HydrophobicContact CE3-CE1 4.47Å; W103-Y146 HydrophobicContact CG-CD1 4.31Å; W103-Y146 AromaticContact CG-CE1 3.44Å; W103-Y146 HydrophobicContact CG-CE1 3.44Å; W103-Y146 VanDerWaalsContact CG-CE1 3.44Å; T142-Y146 WeakPolarHBondContact CA-O 3.37Å; V143-Y146 PolarHBondContact N-O 2.79Å; V143-Y146 WeakPolarHBondContact O-CA 3.4Å; V143-Y146 WeakPolarHBondContact O-CB 3.43Å; V143-Y146 PolarHBondContact O-N 2.96Å; D144-Y146 VanDerWaalsContact C-N 3.26Å; D144-Y146 PolarHBondContact O-N 2.82Å; Y146-L166 HydrophobicContact CD1-CD1 4.28Å; Y146-L166 HydrophobicContact CG-CD1 4.43Å; Y146-L167 WeakPolarHBondContact CA-O 3.1Å
147E97.4Very high91.5Very high29 Ų2961.6 Ų61.614%0.13635%0.351CS..EExtended strand (participates in β ladder)trans-123.5127.4169.5-173.7-179.711300109V140 L141 R149 L167V140-E147 HydrophobicContact CG1-CG 3.44Å; V140-E147 VanDerWaalsContact CG1-CG 3.44Å; L141-E147 CarbonylContact O-C 3.55Å; L141-E147 WeakPolarHBondContact O-CA 3.15Å; E147-R149 HydrophobicContact CG-CG 4.48Å; E147-R149 IonicContact OE1-CZ 3.79Å; E147-R149 IonicContact OE1-NE 3.7Å; E147-R149 PolarHBondContact OE1-NE 2.87Å; E147-R149 IonicContact OE1-NH2 3.86Å; E147-R149 PolarHBondContact OE1-NH2 2.84Å; E147-L167 HydrophobicContact CB-CB 4.21Å; E147-L167 HydrophobicContact CB-CD2 4.24Å; E147-L167 PolarHBondContact N-O 2.56Å; E147-L167 PolarHBondContact O-N 3.29Å
148I97.4Very high92.7Very high0 Ų059.2 Ų59.20%032%0.324CS..EExtended strand (participates in β ladder)trans-112.8119-177.6-55.491.9000107W99 P129 V140 L141 V143 L164 I165 L166W99-I148 HydrophobicContact CD2-CD1 3.87Å; W99-I148 HydrophobicContact CD2-CG1 3.75Å; W99-I148 HydrophobicContact CE3-CG1 4.04Å; W99-I148 HydrophobicContact CG-CD1 3.86Å; W99-I148 HydrophobicContact CG-CG1 4.26Å; W99-I148 HydrophobicContact CH2-CG1 4.19Å; W99-I148 HydrophobicContact CH2-CG2 3.99Å; W99-I148 HydrophobicContact CZ2-CB 4.44Å; W99-I148 HydrophobicContact CZ2-CD1 4.42Å; W99-I148 HydrophobicContact CZ2-CG1 3.86Å; W99-I148 HydrophobicContact CZ2-CG2 3.99Å; W99-I148 HydrophobicContact CZ3-CG1 4.26Å; P129-I148 HydrophobicContact CG-CB 4.3Å; P129-I148 HydrophobicContact CG-CG2 4.07Å; P129-I148 VanDerWaalsContact CG-O 3.24Å; P129-I148 WeakPolarHBondContact CG-O 3.49Å; V140-I148 WeakPolarHBondContact CA-O 3.24Å; L141-I148 HydrophobicContact CB-CB 4.47Å; L141-I148 PolarHBondContact N-O 2.94Å; L141-I148 PolarHBondContact O-N 3.47Å; V143-I148 HydrophobicContact CG2-CD1 4.18Å; I148-L164 HydrophobicContact CG2-CB 4.26Å; I148-L164 HydrophobicContact CG2-CD1 4.31Å; I148-L164 HydrophobicContact CG2-CD2 4.47Å; I148-I165 WeakPolarHBondContact CA-O 3.33Å; I148-L166 HydrophobicContact CD1-CD1 4.37Å; I148-L166 HydrophobicContact CG1-CD1 3.75Å
149R96.4Very high93.3Very high108 Ų10856.5 Ų56.541%0.40831%0.306SS..EExtended strand (participates in β ladder)trans-110.3128.8175.3-50.9-174.6178.9171.60.4110.5N139 V140 E147 S151 L164 I165N139-R149 CarbonylContact O-C 3.53Å; N139-R149 VanDerWaalsContact O-CA 3.27Å; N139-R149 WeakPolarHBondContact O-CA 3.38Å; V140-R149 HydrophobicContact CG1-CG 4.32Å; V140-R149 HydrophobicContact CG2-CG 4.06Å; E147-R149 HydrophobicContact CG-CG 4.48Å; E147-R149 IonicContact OE1-CZ 3.79Å; E147-R149 IonicContact OE1-NE 3.7Å; E147-R149 PolarHBondContact OE1-NE 2.87Å; E147-R149 IonicContact OE1-NH2 3.86Å; E147-R149 PolarHBondContact OE1-NH2 2.84Å; R149-S151 PolarHBondContact O-N 3.19Å; R149-L164 CarbonylContact O-C 3.57Å; R149-L164 WeakPolarHBondContact O-CA 3.36Å; R149-I165 HydrophobicContact CB-CB 4.25Å; R149-I165 PolarHBondContact N-O 2.67Å; R149-I165 PolarHBondContact O-N 2.68Å
150E95.3Very high93.5Very high17 Ų1752.3 Ų52.38%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-82.6111.2167.9-80.5-177.2-140.900109.3P129 S130 N139 R162 L164P129-E150 HydrophobicContact CB-CG 4.14Å; P129-E150 VanDerWaalsContact CD-OE1 3.25Å; P129-E150 WeakPolarHBondContact CD-OE1 3.27Å; P129-E150 HydrophobicContact CG-CG 3.91Å; S130-E150 WeakPolarHBondContact CB-OE1 3.36Å; S130-E150 WeakPolarHBondContact CB-OE2 3.08Å; S130-E150 PolarHBondContact N-OE1 2.85Å; S130-E150 PolarHBondContact OG-OE1 3.34Å; S130-E150 PolarHBondContact OG-OE2 3.06Å; N139-E150 HydrophobicContact CB-CB 4.5Å; N139-E150 PolarHBondContact O-N 3.43Å; E150-R162 IonicContact OE2-NE 2.72Å; E150-L164 HydrophobicContact CB-CD2 4.47Å; E150-L164 HydrophobicContact CG-CD2 3.44Å; E150-L164 VanDerWaalsContact CG-CD2 3.44Å
151S93.7Very high93.6Very high65 Ų6550.6 Ų50.646%0.45527%0.273SS..EExtended strand (participates in β ladder)trans-97.1-27-17861.60000113.6R149 K163R149-S151 PolarHBondContact O-N 3.19Å; S151-K163 PolarHBondContact N-O 3.09Å; S151-K163 WeakPolarHBondContact OG-CB 3.43Å; S151-K163 WeakPolarHBondContact OG-CD 3.44Å; S151-K163 VanDerWaalsContact OG-CG 3.28Å; S151-K163 WeakPolarHBondContact OG-CG 3.49Å; S151-K163 PolarHBondContact OG-O 3.01Å
152D93.6Very high93.6Very high92 Ų9251 Ų5149%0.49227%0.274SS..EExtended strand (participates in β ladder)trans-155.5153.3178.8-165.611.6000111R162 K163D152-R162 VanDerWaalsContact O-CA 3.27Å; D152-R162 WeakPolarHBondContact O-CA 3.32Å; D152-K163 HydrophobicContact CB-CB 4.03Å; D152-K163 PolarHBondContact O-N 3.1Å
153L93.4Very high93.7Very high61 Ų6151 Ų5132%0.31927%0.268SS..EExtended strand (participates in β ladder)trans-142.8108.9175.4169.461.7000109.8K155 D160 V161 R162L153-K155 HydrophobicContact CD1-CG 4.35Å; L153-K155 HydrophobicContact CD2-CG 4.4Å; L153-K155 HydrophobicContact CG-CG 4.18Å; L153-D160 HydrophobicContact CD1-CB 3.87Å; L153-V161 CarbonylContact C-O 3.59Å; L153-V161 WeakPolarHBondContact CA-O 3.33Å; L153-R162 HydrophobicContact CB-CG 4.4Å; L153-R162 HydrophobicContact CD1-CG 3.59Å
154V93.5Very high93.8Very high63 Ų6350.5 Ų50.538%0.38227%0.265SS..EExtended strand (participates in β ladder)trans-96.8114171.2-177.50000108.6Q156 D160 V161V154-Q156 HydrophobicContact CG1-CG 4.35Å; V154-D160 WeakPolarHBondContact O-CA 3.29Å; V154-V161 PolarHBondContact N-O 3.5Å; V154-V161 PolarHBondContact O-N 3.38Å
155K91.6Very high93.9Very high156 Ų15646.3 Ų46.368%0.67824%0.242SC*.EExtended strand (participates in β ladder)trans-88.9123.5174.4-65.4-174.8178.3-179.80109.7L153L153-K155 HydrophobicContact CD1-CG 4.35Å; L153-K155 HydrophobicContact CD2-CG 4.4Å; L153-K155 HydrophobicContact CG-CG 4.18Å
156Q88.4Confident94.1Very high63 Ų6344.8 Ų44.829%0.29423%0.231SC..  trans-108.5177.4170.7-48.2-162.634.600110.2V154 H158 F159 K183V154-Q156 HydrophobicContact CG1-CG 4.35Å; Q156-H158 VanDerWaalsContact C-N 3.35Å; Q156-H158 PolarHBondContact O-N 3.28Å; Q156-F159 CarbonylContact C-O 3.52Å; Q156-F159 VanDerWaalsContact CA-O 3.32Å; Q156-F159 WeakPolarHBondContact CA-O 3.33Å; Q156-F159 HydrophobicContact CB-CD1 4.15Å; Q156-F159 HydrophobicContact CB-CE1 4.03Å; Q156-F159 WeakPolarHBondContact CB-O 3.34Å; Q156-F159 VanDerWaalsContact CD-CE1 3.41Å; Q156-F159 HydrophobicContact CG-CE1 4.14Å; Q156-F159 HydrophobicContact CG-CZ 4.17Å; Q156-F159 PolarHBondContact N-O 3.3Å; Q156-F159 VanDerWaalsContact NE2-CE2 3.34Å; Q156-F159 VanDerWaalsContact OE1-CE1 3.26Å; Q156-F159 VanDerWaalsContact OE1-CZ 3.31Å; Q156-K183 PolarHBondContact O-NZ 3.45Å
157A86.6Confident94.1Very high76 Ų7645.2 Ų45.263%0.62823%0.234SC*.SBendtrans-59.5-46.4179.800000111.6
158H87.5Confident94.1Very high43 Ų4344 Ų4420%0.19923%0.229CC..SBendtrans-108.8-27-168.5-54.6-48.8000113.9Q156 K183 Y196 E199Q156-H158 VanDerWaalsContact C-N 3.35Å; Q156-H158 PolarHBondContact O-N 3.28Å; H158-K183 PolarHBondContact O-N 3.03Å; H158-Y196 HydrophobicContact CB-CD1 3.87Å; H158-Y196 HydrophobicContact CB-CD2 4.49Å; H158-Y196 HydrophobicContact CB-CE1 4.5Å; H158-Y196 HydrophobicContact CB-CG 3.89Å; H158-Y196 AromaticContact CD2-CD1 3.32Å; H158-Y196 WeakPolarHBondContact CD2-CD1 3.33Å; H158-Y196 AromaticContact CD2-CE1 3.57Å; H158-Y196 AromaticContact CE1-CD1 3.72Å; H158-Y196 AromaticContact CE1-CE1 3.13Å; H158-Y196 WeakPolarHBondContact CE1-CE1 3.18Å; H158-Y196 AromaticContact CE1-CZ 3.68Å; H158-Y196 AromaticContact CG-CD1 3.25Å; H158-Y196 AromaticContact CG-CE1 3.52Å; H158-Y196 AromaticContact CG-CG 3.78Å; H158-Y196 AromaticContact ND1-CD1 3.51Å; H158-Y196 AromaticContact ND1-CE1 3.25Å; H158-Y196 VanDerWaalsContact ND1-CE1 3.25Å; H158-Y196 WeakPolarHBondContact ND1-CE1 3.39Å; H158-Y196 AromaticContact ND1-CZ 3.63Å; H158-Y196 AromaticContact NE2-CD1 3.63Å; H158-Y196 AromaticContact NE2-CE1 3.34Å; H158-Y196 VanDerWaalsContact NE2-CE1 3.34Å; H158-Y196 WeakPolarHBondContact NE2-CE1 3.44Å; H158-E199 IonicContact CD2-OE1 3.58Å; H158-E199 IonicContact CD2-OE2 3.53Å; H158-E199 PolarHBondContact CD2-OE2 3.1Å; H158-E199 VanDerWaalsContact CD2-OE2 3.28Å; H158-E199 IonicContact CG-OE2 3.07Å
159F91.7Very high94.1Very high0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-137.6164.2178.768.9-70.9000111.4Q156 V161 Y180 H181 L182 E199 V200 E203Q156-F159 CarbonylContact C-O 3.52Å; Q156-F159 VanDerWaalsContact CA-O 3.32Å; Q156-F159 WeakPolarHBondContact CA-O 3.33Å; Q156-F159 HydrophobicContact CB-CD1 4.15Å; Q156-F159 HydrophobicContact CB-CE1 4.03Å; Q156-F159 WeakPolarHBondContact CB-O 3.34Å; Q156-F159 VanDerWaalsContact CD-CE1 3.41Å; Q156-F159 HydrophobicContact CG-CE1 4.14Å; Q156-F159 HydrophobicContact CG-CZ 4.17Å; Q156-F159 PolarHBondContact N-O 3.3Å; Q156-F159 VanDerWaalsContact NE2-CE2 3.34Å; Q156-F159 VanDerWaalsContact OE1-CE1 3.26Å; Q156-F159 VanDerWaalsContact OE1-CZ 3.31Å; F159-V161 HydrophobicContact CD2-CG2 3.69Å; F159-V161 HydrophobicContact CE2-CG2 3.37Å; F159-V161 HydrophobicContact CZ-CG2 4.48Å; F159-Y180 HydrophobicContact CD2-CD1 4.48Å; F159-Y180 HydrophobicContact CE2-CD1 4.35Å; F159-H181 CarbonylContact C-O 3.53Å; F159-H181 WeakPolarHBondContact CA-O 3.32Å; F159-H181 WeakPolarHBondContact CB-O 3.4Å; F159-L182 HydrophobicContact CB-CD1 4.24Å; F159-E199 HydrophobicContact CD1-CB 4.23Å; F159-E199 HydrophobicContact CE1-CB 3.6Å; F159-E199 HydrophobicContact CZ-CB 4.29Å; F159-V200 HydrophobicContact CB-CG2 3.78Å; F159-V200 HydrophobicContact CD1-CG2 3.98Å; F159-V200 HydrophobicContact CD2-CG2 3.91Å; F159-V200 HydrophobicContact CE2-CG2 4.43Å; F159-V200 HydrophobicContact CG-CG2 3.63Å; F159-E203 HydrophobicContact CE2-CB 4.32Å; F159-E203 HydrophobicContact CE2-CG 3.84Å; F159-E203 HydrophobicContact CZ-CB 4.43Å; F159-E203 HydrophobicContact CZ-CG 3.6Å
160D93.1Very high94Very high13 Ų1351.5 Ų51.57%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-115.3147.8169.8-64.5-17.2000109L153 V154 R162 Y180 H181 K183L153-D160 HydrophobicContact CD1-CB 3.87Å; V154-D160 WeakPolarHBondContact O-CA 3.29Å; D160-R162 IonicContact OD2-NH2 3.82Å; D160-Y180 WeakPolarHBondContact O-CA 3.4Å; D160-H181 HydrophobicContact CB-CB 4.49Å; D160-H181 PolarHBondContact N-O 3.21Å; D160-H181 PolarHBondContact O-N 2.94Å; D160-K183 WeakPolarHBondContact OD1-CE 3.27Å; D160-K183 IonicContact OD1-NZ 3.08Å; D160-K183 PolarHBondContact OD1-NZ 3.46Å
161V94.5Very high94Very high21 Ų2153.2 Ų53.213%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-118122.2172.1-171.60000108.8L153 V154 F159 H179 Y180L153-V161 CarbonylContact C-O 3.59Å; L153-V161 WeakPolarHBondContact CA-O 3.33Å; V154-V161 PolarHBondContact N-O 3.5Å; V154-V161 PolarHBondContact O-N 3.38Å; F159-V161 HydrophobicContact CD2-CG2 3.69Å; F159-V161 HydrophobicContact CE2-CG2 3.37Å; F159-V161 HydrophobicContact CZ-CG2 4.48Å; V161-H179 CarbonylContact C-O 3.58Å; V161-H179 WeakPolarHBondContact CA-O 3.24Å; V161-Y180 HydrophobicContact CG1-CD1 4.16Å; V161-Y180 HydrophobicContact CG1-CE1 3.9Å; V161-Y180 HydrophobicContact CG2-CD1 3.81Å; V161-Y180 HydrophobicContact CG2-CE1 4.01Å
162R95.3Very high94Very high16 Ų1658 Ų586%0.0629%0.294CS..EExtended strand (participates in β ladder)trans-108142.3171.2-60.6168.8-176.867.612.9110.4E150 D152 L153 D160 L164 K178 H179E150-R162 IonicContact OE2-NE 2.72Å; D152-R162 VanDerWaalsContact O-CA 3.27Å; D152-R162 WeakPolarHBondContact O-CA 3.32Å; L153-R162 HydrophobicContact CB-CG 4.4Å; L153-R162 HydrophobicContact CD1-CG 3.59Å; D160-R162 IonicContact OD2-NH2 3.82Å; R162-L164 HydrophobicContact CB-CD2 4Å; R162-K178 WeakPolarHBondContact O-CA 3.24Å; R162-H179 HydrophobicContact CB-CB 4.17Å; R162-H179 PolarHBondContact N-O 2.95Å; R162-H179 PolarHBondContact O-N 2.88Å
163K95.8Very high94.3Very high72 Ų7258.5 Ų58.531%0.31329%0.293SS..EExtended strand (participates in β ladder)trans-98.3110.5166.6-174.3-178.1176.3177.90109.2S151 D152 V176S151-K163 PolarHBondContact N-O 3.09Å; S151-K163 WeakPolarHBondContact OG-CB 3.43Å; S151-K163 WeakPolarHBondContact OG-CD 3.44Å; S151-K163 VanDerWaalsContact OG-CG 3.28Å; S151-K163 WeakPolarHBondContact OG-CG 3.49Å; S151-K163 PolarHBondContact OG-O 3.01Å; D152-K163 HydrophobicContact CB-CB 4.03Å; D152-K163 PolarHBondContact O-N 3.1Å; K163-V176 HydrophobicContact CD-CG1 4.43Å; K163-V176 HydrophobicContact CG-CG1 3.85Å
164L97.4Very high94.4Very high0 Ų060.8 Ų60.80%030%0.302CS..EExtended strand (participates in β ladder)trans-99.2137.2178.4-48.6-178.5000110.1W99 L128 I148 R149 E150 R162 V176 V177 H179W99-L164 HydrophobicContact CH2-CD1 3.66Å; W99-L164 HydrophobicContact CZ3-CD1 4.4Å; L128-L164 HydrophobicContact CD2-CD1 3.89Å; L128-L164 HydrophobicContact CD2-CD2 4.43Å; I148-L164 HydrophobicContact CG2-CB 4.26Å; I148-L164 HydrophobicContact CG2-CD1 4.31Å; I148-L164 HydrophobicContact CG2-CD2 4.47Å; R149-L164 CarbonylContact O-C 3.57Å; R149-L164 WeakPolarHBondContact O-CA 3.36Å; E150-L164 HydrophobicContact CB-CD2 4.47Å; E150-L164 HydrophobicContact CG-CD2 3.44Å; E150-L164 VanDerWaalsContact CG-CD2 3.44Å; R162-L164 HydrophobicContact CB-CD2 4Å; L164-V176 CarbonylContact O-C 3.48Å; L164-V176 WeakPolarHBondContact O-CA 3.48Å; L164-V177 WeakPolarHBondContact CA-O 3.41Å; L164-V177 HydrophobicContact CB-CB 4.31Å; L164-V177 VanDerWaalsContact CB-O 3.26Å; L164-V177 WeakPolarHBondContact CB-O 3.43Å; L164-V177 PolarHBondContact N-O 2.99Å; L164-V177 PolarHBondContact O-N 2.69Å; L164-H179 HydrophobicContact CD1-CB 3.89Å; L164-H179 HydrophobicContact CG-CB 4.21Å
165I97.6Very high94.6Very high29 Ų2960.9 Ų60.915%0.14930%0.296CS..EExtended strand (participates in β ladder)trans-103.3111.1166.7-51.2-57.5000107.2I148 R149 Q174 V176I148-I165 WeakPolarHBondContact CA-O 3.33Å; R149-I165 HydrophobicContact CB-CB 4.25Å; R149-I165 PolarHBondContact N-O 2.67Å; R149-I165 PolarHBondContact O-N 2.68Å; I165-Q174 HydrophobicContact CG2-CB 4.09Å; I165-Q174 HydrophobicContact CG2-CG 4.26Å; I165-V176 HydrophobicContact CD1-CG2 3.85Å
166L98Very high94.8Very high1 Ų156.8 Ų56.81%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-96.4113.8176.217963.3000108.8W99 I102 W103 Y146 I148 Q174 R175 V177W99-L166 HydrophobicContact CE3-CD1 4.01Å; W99-L166 HydrophobicContact CE3-CD2 4.33Å; I102-L166 HydrophobicContact CB-CD2 4.25Å; I102-L166 HydrophobicContact CG2-CD2 3.65Å; W103-L166 HydrophobicContact CB-CD2 4.2Å; W103-L166 HydrophobicContact CE3-CD2 3.87Å; W103-L166 HydrophobicContact CE3-CG 3.88Å; W103-L166 HydrophobicContact CZ3-CG 4.4Å; Y146-L166 HydrophobicContact CD1-CD1 4.28Å; Y146-L166 HydrophobicContact CG-CD1 4.43Å; I148-L166 HydrophobicContact CD1-CD1 4.37Å; I148-L166 HydrophobicContact CG1-CD1 3.75Å; L166-Q174 CarbonylContact O-C 3.6Å; L166-Q174 WeakPolarHBondContact O-CA 3.44Å; L166-R175 PolarHBondContact N-O 3.28Å; L166-R175 PolarHBondContact O-N 3.28Å; L166-V177 HydrophobicContact CB-CG2 4.18Å; L166-V177 HydrophobicContact CD2-CG2 4.35Å
167L98Very high95.2Very high24 Ų2453.9 Ų53.913%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-103.2131.6176.6170.569.6000109.7Y146 E147 E172 E173 Q174Y146-L167 WeakPolarHBondContact CA-O 3.1Å; E147-L167 HydrophobicContact CB-CB 4.21Å; E147-L167 HydrophobicContact CB-CD2 4.24Å; E147-L167 PolarHBondContact N-O 2.56Å; E147-L167 PolarHBondContact O-N 3.29Å; L167-E172 WeakPolarHBondContact CD1-O 3.26Å; L167-E173 WeakPolarHBondContact CD1-O 3.44Å; L167-Q174 HydrophobicContact CB-CG 4.03Å; L167-Q174 HydrophobicContact CD1-CG 3.5Å; L167-Q174 HydrophobicContact CG-CG 4.33Å
168S97.9Very high95.6Very high4 Ų452 Ų523%0.02825%0.248CC..EExtended strand (participates in β ladder)trans-91.5117.7165.5163.70000109.6W103 K170 S171 E172 E173W103-S168 VanDerWaalsContact CE2-CB 3.43Å; W103-S168 VanDerWaalsContact CH2-CB 3.43Å; S168-K170 PolarHBondContact O-N 2.92Å; S168-K170 PolarHBondContact OG-N 2.67Å; S168-S171 VanDerWaalsContact CB-OG 3.27Å; S168-S171 WeakPolarHBondContact CB-OG 3.14Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 PolarHBondContact OG-N 2.66Å; S168-S171 PolarHBondContact OG-OG 2.83Å; S168-E172 WeakPolarHBondContact O-CA 3.22Å; S168-E172 PolarHBondContact O-N 2.85Å; S168-E173 PolarHBondContact N-O 3.07Å
169K95.8Very high96Very high93 Ų9350 Ų5040%0.40424%0.238SC..THydrogen-bonded Turntrans-67.3-19.3175.5-62.7-176.6179.9-177.10112.9T142 S145T142-K169 PolarHBondContact OG1-NZ 3.4Å; S145-K169 WeakPolarHBondContact O-CB 3.45Å; S145-K169 WeakPolarHBondContact O-CG 3.39Å; S145-K169 PolarHBondContact O-N 2.87Å
170K94.3Very high96.2Very high172 Ų17250.1 Ų50.175%0.74824%0.239SC*.THydrogen-bonded Turntrans-79.6-38.9179-71.6-179.1177.5175.10112.7S145 S168S145-K170 VanDerWaalsContact OG-CE 3.3Å; S145-K170 WeakPolarHBondContact OG-CE 3.36Å; S168-K170 PolarHBondContact O-N 2.92Å; S168-K170 PolarHBondContact OG-N 2.67Å
171S95.7Very high96.3Very high53 Ų5350.3 Ų50.337%0.37124%0.239SC..THydrogen-bonded Turntrans-108.6-7.8-176.359.20000113.6W103 S168 E173W103-S171 WeakPolarHBondContact CZ2-OG 3.26Å; S168-S171 VanDerWaalsContact CB-OG 3.27Å; S168-S171 WeakPolarHBondContact CB-OG 3.14Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 PolarHBondContact OG-N 2.66Å; S168-S171 PolarHBondContact OG-OG 2.83Å; S171-E173 PolarHBondContact O-N 2.82Å
172E95.4Very high96.2Very high166 Ų16649.5 Ų49.578%0.77623%0.234SC*.  trans58.85.1-173.7-55.1-170.916000115L167 S168L167-E172 WeakPolarHBondContact CD1-O 3.26Å; S168-E172 WeakPolarHBondContact O-CA 3.22Å; S168-E172 PolarHBondContact O-N 2.85Å
173E98Very high95.6Very high103 Ų10351.7 Ų51.748%0.48124%0.244SC..  trans-74.8146.3175.6-71.2-176.9176.200111.9W103 L167 S168 S171 R175W103-E173 HydrophobicContact CH2-CB 3.61Å; W103-E173 WeakPolarHBondContact CH2-O 3.49Å; W103-E173 HydrophobicContact CZ2-CB 4.01Å; L167-E173 WeakPolarHBondContact CD1-O 3.44Å; S168-E173 PolarHBondContact N-O 3.07Å; S171-E173 PolarHBondContact O-N 2.82Å; E173-R175 IonicContact OE2-NH2 3.72Å; E173-R175 PolarHBondContact OE2-NH2 3.04Å
174Q97.4Very high94.4Very high109 Ų10950.9 Ų50.951%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-117.8146.4174.4-64.8-175.4-0.900111.7I165 L166 L167I165-Q174 HydrophobicContact CG2-CB 4.09Å; I165-Q174 HydrophobicContact CG2-CG 4.26Å; L166-Q174 CarbonylContact O-C 3.6Å; L166-Q174 WeakPolarHBondContact O-CA 3.44Å; L167-Q174 HydrophobicContact CB-CG 4.03Å; L167-Q174 HydrophobicContact CD1-CG 3.5Å; L167-Q174 HydrophobicContact CG-CG 4.33Å
175R96.8Very high93.5Very high65 Ų6551.3 Ų51.325%0.24525%0.249CC..EExtended strand (participates in β ladder)trans-134.1146.8175-62.1-179.8-170.21608.2110.4W103 L166 E173W103-R175 HydrophobicContact CH2-CG 4.21Å; W103-R175 HydrophobicContact CZ3-CB 4.37Å; W103-R175 HydrophobicContact CZ3-CG 3.86Å; W103-R175 PolarHBondContact O-NH1 2.75Å; L166-R175 PolarHBondContact N-O 3.28Å; L166-R175 PolarHBondContact O-N 3.28Å; E173-R175 IonicContact OE2-NH2 3.72Å; E173-R175 PolarHBondContact OE2-NH2 3.04Å
176V95.9Very high92.3Very high70 Ų7052.7 Ų52.742%0.42426%0.26SS..EExtended strand (participates in β ladder)trans-88.8128.9172.9-179.10000108.6K163 L164 I165K163-V176 HydrophobicContact CD-CG1 4.43Å; K163-V176 HydrophobicContact CG-CG1 3.85Å; L164-V176 CarbonylContact O-C 3.48Å; L164-V176 WeakPolarHBondContact O-CA 3.48Å; I165-V176 HydrophobicContact CD1-CG2 3.85Å
177V96.1Very high90.6Very high1 Ų154.8 Ų54.81%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-123.3121.2173-175.20000108.4I102 T108 I110 L164 L166I102-V177 HydrophobicContact CG2-CG1 4.3Å; I102-V177 HydrophobicContact CG2-CG2 3.89Å; T108-V177 CarbonylContact O-C 3.59Å; T108-V177 WeakPolarHBondContact O-CA 3.19Å; I110-V177 HydrophobicContact CD1-CG1 3.74Å; I110-V177 HydrophobicContact CG1-CG1 3.82Å; L164-V177 WeakPolarHBondContact CA-O 3.41Å; L164-V177 HydrophobicContact CB-CB 4.31Å; L164-V177 VanDerWaalsContact CB-O 3.26Å; L164-V177 WeakPolarHBondContact CB-O 3.43Å; L164-V177 PolarHBondContact N-O 2.99Å; L164-V177 PolarHBondContact O-N 2.69Å; L166-V177 HydrophobicContact CB-CG2 4.18Å; L166-V177 HydrophobicContact CD2-CG2 4.35Å
178K95.5Very high88.8Confident38 Ų3859.6 Ų59.617%0.16529%0.291CS..EExtended strand (participates in β ladder)trans-83.3134.2172.8-72.1-170.3167.2-176.60110T108 A109 I110 R162 Y180 E207T108-K178 PolarHBondContact O-N 3.49Å; A109-K178 CarbonylContact C-O 3.53Å; A109-K178 VanDerWaalsContact CA-O 3.27Å; A109-K178 WeakPolarHBondContact CA-O 3.15Å; I110-K178 PolarHBondContact N-O 3.08Å; R162-K178 WeakPolarHBondContact O-CA 3.24Å; K178-Y180 HydrophobicContact CB-CE2 3.67Å; K178-Y180 WeakPolarHBondContact CD-OH 3.44Å; K178-E207 HydrophobicContact CD-CG 4.23Å; K178-E207 VanDerWaalsContact NZ-CG 3.27Å; K178-E207 IonicContact NZ-OE1 3.29Å; K178-E207 PolarHBondContact NZ-OE1 2.81Å; K178-E207 IonicContact NZ-OE2 2.67Å; K178-E207 PolarHBondContact NZ-OE2 3.4Å
179H96.3Very high88Confident0 Ų063.2 Ų63.20%031%0.31CS..EExtended strand (participates in β ladder)trans-119114.4179.2179.3-82.9000109.8I110 Y127 V161 R162 L164I110-H179 CarbonylContact O-C 3.47Å; I110-H179 WeakPolarHBondContact O-CA 3.31Å; Y127-H179 AromaticContact CE2-NE2 3.92Å; Y127-H179 AromaticContact CZ-NE2 3.69Å; Y127-H179 PolarHBondContact OH-NE2 2.78Å; V161-H179 CarbonylContact C-O 3.58Å; V161-H179 WeakPolarHBondContact CA-O 3.24Å; R162-H179 HydrophobicContact CB-CB 4.17Å; R162-H179 PolarHBondContact N-O 2.95Å; R162-H179 PolarHBondContact O-N 2.88Å; L164-H179 HydrophobicContact CD1-CB 3.89Å; L164-H179 HydrophobicContact CG-CB 4.21Å
180Y95.7Very high87.4Confident3 Ų360.3 Ų60.31%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-101.4115179-56.5-89.5000108.4A109 I110 V111 M112 F159 D160 V161 K178 E203 L204A109-Y180 HydrophobicContact CB-CE2 4.06Å; I110-Y180 PolarHBondContact O-N 3.04Å; V111-Y180 CarbonylContact C-O 3.52Å; V111-Y180 WeakPolarHBondContact CA-O 3.39Å; V111-Y180 HydrophobicContact CG2-CD2 4.4Å; M112-Y180 PolarHBondContact N-O 3.3Å; F159-Y180 HydrophobicContact CD2-CD1 4.48Å; F159-Y180 HydrophobicContact CE2-CD1 4.35Å; D160-Y180 WeakPolarHBondContact O-CA 3.4Å; V161-Y180 HydrophobicContact CG1-CD1 4.16Å; V161-Y180 HydrophobicContact CG1-CE1 3.9Å; V161-Y180 HydrophobicContact CG2-CD1 3.81Å; V161-Y180 HydrophobicContact CG2-CE1 4.01Å; K178-Y180 HydrophobicContact CB-CE2 3.67Å; K178-Y180 WeakPolarHBondContact CD-OH 3.44Å; Y180-E203 HydrophobicContact CD1-CB 4.45Å; Y180-E203 HydrophobicContact CE1-CB 3.86Å; Y180-L204 HydrophobicContact CD2-CD2 3.63Å; Y180-L204 HydrophobicContact CD2-CG 4.31Å; Y180-L204 HydrophobicContact CE2-CD2 3.26Å; Y180-L204 HydrophobicContact CE2-CG 4.11Å; Y180-L204 HydrophobicContact CG-CD2 4.4Å
181H95.1Very high87.1Confident17 Ų1752.3 Ų52.38%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-111103.2178.7-176.6-170.9000109.8M112 T114 F159 D160 K183M112-H181 HydrophobicContact CB-CB 4.5Å; M112-H181 WeakPolarHBondContact O-CA 3.49Å; T114-H181 PolarHBondContact O-NE2 2.94Å; T114-H181 VanDerWaalsContact O-NE2 3.1Å; F159-H181 CarbonylContact C-O 3.53Å; F159-H181 WeakPolarHBondContact CA-O 3.32Å; F159-H181 WeakPolarHBondContact CB-O 3.4Å; D160-H181 HydrophobicContact CB-CB 4.49Å; D160-H181 PolarHBondContact N-O 3.21Å; D160-H181 PolarHBondContact O-N 2.94Å; H181-K183 PolarHBondContact O-N 2.92Å
182L93.1Very high86.6Confident3 Ų358.6 Ų58.62%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-76.5108.8173.3-17856.8000109.3M112 L113 F159 W185 F197 V200M112-L182 PolarHBondContact O-N 3.2Å; L113-L182 HydrophobicContact CD2-CB 4.05Å; L113-L182 HydrophobicContact CD2-CD2 4.09Å; F159-L182 HydrophobicContact CB-CD1 4.24Å; L182-W185 HydrophobicContact CD2-CE3 3.8Å; L182-W185 HydrophobicContact CD2-CZ3 4.35Å; L182-F197 HydrophobicContact CD2-CD2 4Å; L182-F197 HydrophobicContact CD2-CE2 4.22Å; L182-V200 HydrophobicContact CD1-CG2 4.27Å
183K82.2Confident86.4Confident62 Ų6252.4 Ų52.427%0.2726%0.264SS..  trans-77.7-29.4-168.6-65.2177.4-69-157.80113.3Q156 H158 D160 H181Q156-K183 PolarHBondContact O-NZ 3.45Å; H158-K183 PolarHBondContact O-N 3.03Å; D160-K183 WeakPolarHBondContact OD1-CE 3.27Å; D160-K183 IonicContact OD1-NZ 3.08Å; D160-K183 PolarHBondContact OD1-NZ 3.46Å; H181-K183 PolarHBondContact O-N 2.92Å
184C70.5Confident86.2Confident56 Ų5648.2 Ų48.238%0.37825%0.246SC..  trans-112.766.9-165.9-61.40000111.8Y196C184-Y196 HydrophobicContact CB-CD2 4.15Å; C184-Y196 HydrophobicContact CB-CE2 4.14Å
185W78.1Confident86Confident8 Ų845.6 Ų45.63%0.0324%0.235CC..  trans-134108.7170.1-162.6-21.6000110.1L113 L182 D189 P191 F197 R226 T229L113-W185 HydrophobicContact CB-CE3 4Å; L113-W185 HydrophobicContact CB-CZ3 4.05Å; L113-W185 HydrophobicContact CD1-CH2 4.33Å; L113-W185 HydrophobicContact CD1-CZ3 3.75Å; L113-W185 HydrophobicContact CD2-CE3 4.04Å; L113-W185 HydrophobicContact CD2-CZ3 3.77Å; L113-W185 HydrophobicContact CG-CE3 4.41Å; L113-W185 HydrophobicContact CG-CZ3 4.06Å; L182-W185 HydrophobicContact CD2-CE3 3.8Å; L182-W185 HydrophobicContact CD2-CZ3 4.35Å; W185-D189 PolarHBondContact NE1-O 3.05Å; W185-P191 HydrophobicContact CB-CG 4.3Å; W185-P191 HydrophobicContact CD2-CG 4.02Å; W185-P191 HydrophobicContact CE3-CG 4.48Å; W185-P191 HydrophobicContact CG-CG 3.92Å; W185-F197 HydrophobicContact CD2-CE2 4.08Å; W185-F197 HydrophobicContact CD2-CZ 4.43Å; W185-F197 AromaticContact CE3-CE2 3.62Å; W185-F197 HydrophobicContact CE3-CE2 3.62Å; W185-F197 AromaticContact CE3-CZ 3.87Å; W185-F197 HydrophobicContact CE3-CZ 3.87Å; W185-F197 AromaticContact CH2-CE1 3.81Å; W185-F197 HydrophobicContact CH2-CE1 3.81Å; W185-F197 AromaticContact CH2-CE2 3.55Å; W185-F197 HydrophobicContact CH2-CE2 3.55Å; W185-F197 AromaticContact CH2-CZ 2.93Å; W185-F197 HydrophobicContact CH2-CZ 2.93Å; W185-F197 AromaticContact CZ2-CE2 3.97Å; W185-F197 HydrophobicContact CZ2-CE2 3.97Å; W185-F197 AromaticContact CZ2-CZ 3.58Å; W185-F197 HydrophobicContact CZ2-CZ 3.58Å; W185-F197 HydrophobicContact CZ3-CD2 4.43Å; W185-F197 AromaticContact CZ3-CE1 3.86Å; W185-F197 HydrophobicContact CZ3-CE1 3.86Å; W185-F197 AromaticContact CZ3-CE2 3.32Å; W185-F197 HydrophobicContact CZ3-CE2 3.32Å; W185-F197 AromaticContact CZ3-CZ 3.06Å; W185-F197 HydrophobicContact CZ3-CZ 3.06Å; W185-R226 HydrophobicContact CD2-CB 4.06Å; W185-R226 HydrophobicContact CD2-CG 3.83Å; W185-R226 VanDerWaalsContact CE2-CG 3.47Å; W185-R226 HydrophobicContact CE3-CB 4.05Å; W185-R226 HydrophobicContact CE3-CG 4.31Å; W185-R226 HydrophobicContact CG-CG 4.28Å; W185-R226 HydrophobicContact CH2-CB 3.41Å; W185-R226 VanDerWaalsContact CH2-CB 3.41Å; W185-R226 HydrophobicContact CH2-CG 4.06Å; W185-R226 WeakPolarHBondContact CH2-O 3.46Å; W185-R226 VanDerWaalsContact CZ2-CA 3.47Å; W185-R226 HydrophobicContact CZ2-CB 3.5Å; W185-R226 VanDerWaalsContact CZ2-CB 3.5Å; W185-R226 HydrophobicContact CZ2-CG 3.62Å; W185-R226 HydrophobicContact CZ3-CB 3.76Å; W185-R226 HydrophobicContact CZ3-CG 4.43Å; W185-R226 PolarHBondContact O-NH1 3.44Å; W185-T229 HydrophobicContact CH2-CG2 3.92Å; W185-T229 HydrophobicContact CZ2-CG2 3.9Å
186P72.2Confident85.6Confident59 Ų5944 Ų4438%0.38323%0.23SC..  trans-68.4148.6176.2-0.211.8000111.4D189P186-D189 HydrophobicContact CB-CB 3.8Å; P186-D189 HydrophobicContact CG-CB 3.88Å; P186-D189 PolarHBondContact O-N 3.44Å
187D62.8Low85.3Confident44 Ų4440.8 Ų40.824%0.23521%0.21CC..THydrogen-bonded Turntrans-67.6137.5176.1-151.719.9000112.2K123 D189 R226K123-D187 WeakPolarHBondContact CE-OD2 3.43Å; K123-D187 IonicContact NZ-OD2 2.65Å; K123-D187 PolarHBondContact NZ-OD2 3.03Å; D187-D189 PolarHBondContact O-N 2.81Å; D187-D189 VanDerWaalsContact O-N 3.1Å; D187-R226 IonicContact OD1-CZ 3.91Å; D187-R226 IonicContact OD1-NE 2.69Å; D187-R226 IonicContact OD1-NH2 3.42Å; D187-R226 PolarHBondContact OD1-NH2 3.12Å; D187-R226 IonicContact OD2-NH2 3.55Å
188F61.1Low85.1Confident126 Ų12640.8 Ų40.855%0.55321%0.209SC*.THydrogen-bonded Turntrans58.810.6-175.4-56-80.1000115.8
189D80Confident85Confident80 Ų8041 Ų4143%0.42821%0.211SC..SBendtrans-119.9-167.7174.5-152.8-18.6000109.4W185 P186 D187W185-D189 PolarHBondContact NE1-O 3.05Å; P186-D189 HydrophobicContact CB-CB 3.8Å; P186-D189 HydrophobicContact CG-CB 3.88Å; P186-D189 PolarHBondContact O-N 3.44Å; D187-D189 PolarHBondContact O-N 2.81Å; D187-D189 VanDerWaalsContact O-N 3.1Å
190V83.8Confident84.7Confident31 Ų3141 Ų4119%0.18821%0.212CC..  trans-128155.6179.1-59.10000109.9E270 Q271 Y274V190-E270 HydrophobicContact CG1-CB 4.41Å; V190-Q271 HydrophobicContact CG1-CG 4.11Å; V190-Y274 HydrophobicContact CB-CD1 4.34Å; V190-Y274 HydrophobicContact CB-CD2 3.61Å; V190-Y274 HydrophobicContact CB-CE2 4.22Å; V190-Y274 HydrophobicContact CB-CG 3.67Å; V190-Y274 HydrophobicContact CG1-CD1 4.47Å; V190-Y274 HydrophobicContact CG1-CD2 4.27Å; V190-Y274 HydrophobicContact CG1-CG 3.86Å; V190-Y274 HydrophobicContact CG2-CD2 3.8Å; V190-Y274 HydrophobicContact CG2-CG 4.24Å
191P87.6Confident84.6Confident5 Ų540.9 Ų40.93%0.03221%0.211CC..  trans-60.8153.5172.5-25.236.4000112.7W185 S193 Y196 F197 Y274W185-P191 HydrophobicContact CB-CG 4.3Å; W185-P191 HydrophobicContact CD2-CG 4.02Å; W185-P191 HydrophobicContact CE3-CG 4.48Å; W185-P191 HydrophobicContact CG-CG 3.92Å; P191-S193 VanDerWaalsContact C-N 3.28Å; P191-S193 PolarHBondContact O-N 2.68Å; P191-Y196 HydrophobicContact CB-CD2 3.74Å; P191-Y196 HydrophobicContact CB-CE2 4.39Å; P191-Y196 HydrophobicContact CB-CG 4.47Å; P191-F197 HydrophobicContact CG-CD2 3.89Å; P191-F197 HydrophobicContact CG-CE2 3.56Å; P191-Y274 HydrophobicContact CB-CE2 4.37Å; P191-Y274 HydrophobicContact CG-CE1 4.45Å; P191-Y274 WeakPolarHBondContact O-CE2 3.36Å
192E86.3Confident84.4Confident184 Ų18440.3 Ų40.386%0.8621%0.209SC*.SBendtrans-64.5-33.2-179.5-65178.9163.300112.8Y196E192-Y196 HydrophobicContact CB-CE2 4.4Å
193S90.8Very high84.3Confident36 Ų3642 Ų4225%0.25222%0.217SC..  trans-129.2142.2-179.8-177.30000111.3P191 D195 Y196 Y274P191-S193 VanDerWaalsContact C-N 3.28Å; P191-S193 PolarHBondContact O-N 2.68Å; S193-D195 PolarHBondContact O-N 3.48Å; S193-D195 PolarHBondContact OG-N 2.73Å; S193-Y196 PolarHBondContact O-N 3.29Å; S193-Y274 PolarHBondContact O-OH 2.92Å; S193-Y274 VanDerWaalsContact O-OH 3.07Å
194T93.6Very high84.5Confident15 Ų1539.1 Ų39.19%0.09221%0.205CC..THydrogen-bonded Turntrans-65-26.6172.653.20000112.3Y196 F197 L198 Y274 K277 V278 D281T194-Y196 PolarHBondContact O-N 2.94Å; T194-Y196 VanDerWaalsContact O-N 3.15Å; T194-F197 WeakPolarHBondContact O-CB 3.25Å; T194-F197 PolarHBondContact O-N 2.82Å; T194-F197 VanDerWaalsContact O-N 3.09Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 3.4Å; T194-L198 VanDerWaalsContact O-N 3.1Å; T194-Y274 HydrophobicContact CG2-CE2 4.22Å; T194-K277 HydrophobicContact CG2-CB 3.87Å; T194-V278 HydrophobicContact CG2-CB 4.35Å; T194-V278 HydrophobicContact CG2-CG2 3.7Å; T194-D281 VanDerWaalsContact CB-OD2 3.3Å; T194-D281 WeakPolarHBondContact CB-OD2 3.44Å; T194-D281 WeakPolarHBondContact CG2-OD2 3.49Å; T194-D281 PolarHBondContact OG1-OD2 3.37Å
195D91.8Very high85.2Confident54 Ų5437.4 Ų37.429%0.28919%0.19SC..Hα-helixtrans-54.8-35.2177.5-77.9-10.1000111.7S193 F197 L198 E199 W288S193-D195 PolarHBondContact O-N 3.48Å; S193-D195 PolarHBondContact OG-N 2.73Å; D195-F197 PolarHBondContact O-N 2.88Å; D195-L198 PolarHBondContact O-N 2.84Å; D195-L198 VanDerWaalsContact O-N 3.12Å; D195-E199 WeakPolarHBondContact O-CB 3.39Å; D195-E199 VanDerWaalsContact O-CG 3.25Å; D195-E199 WeakPolarHBondContact O-CG 3.31Å; D195-E199 PolarHBondContact O-N 2.87Å; D195-W288 HydrophobicContact CB-CZ2 4.11Å; D195-W288 VanDerWaalsContact OD1-CZ2 3.23Å; D195-W288 WeakPolarHBondContact OD1-CZ2 3.44Å; D195-W288 PolarHBondContact OD1-NE1 3.02Å
196Y89.6Confident85.4Confident33 Ų3342.3 Ų42.313%0.12921%0.212CC..Hα-helixtrans-62.8-33.6-177-56.9-1.7000111.9H158 C184 P191 E192 S193 T194 V200H158-Y196 HydrophobicContact CB-CD1 3.87Å; H158-Y196 HydrophobicContact CB-CD2 4.49Å; H158-Y196 HydrophobicContact CB-CE1 4.5Å; H158-Y196 HydrophobicContact CB-CG 3.89Å; H158-Y196 AromaticContact CD2-CD1 3.32Å; H158-Y196 WeakPolarHBondContact CD2-CD1 3.33Å; H158-Y196 AromaticContact CD2-CE1 3.57Å; H158-Y196 AromaticContact CE1-CD1 3.72Å; H158-Y196 AromaticContact CE1-CE1 3.13Å; H158-Y196 WeakPolarHBondContact CE1-CE1 3.18Å; H158-Y196 AromaticContact CE1-CZ 3.68Å; H158-Y196 AromaticContact CG-CD1 3.25Å; H158-Y196 AromaticContact CG-CE1 3.52Å; H158-Y196 AromaticContact CG-CG 3.78Å; H158-Y196 AromaticContact ND1-CD1 3.51Å; H158-Y196 AromaticContact ND1-CE1 3.25Å; H158-Y196 VanDerWaalsContact ND1-CE1 3.25Å; H158-Y196 WeakPolarHBondContact ND1-CE1 3.39Å; H158-Y196 AromaticContact ND1-CZ 3.63Å; H158-Y196 AromaticContact NE2-CD1 3.63Å; H158-Y196 AromaticContact NE2-CE1 3.34Å; H158-Y196 VanDerWaalsContact NE2-CE1 3.34Å; H158-Y196 WeakPolarHBondContact NE2-CE1 3.44Å; C184-Y196 HydrophobicContact CB-CD2 4.15Å; C184-Y196 HydrophobicContact CB-CE2 4.14Å; P191-Y196 HydrophobicContact CB-CD2 3.74Å; P191-Y196 HydrophobicContact CB-CE2 4.39Å; P191-Y196 HydrophobicContact CB-CG 4.47Å; E192-Y196 HydrophobicContact CB-CE2 4.4Å; S193-Y196 PolarHBondContact O-N 3.29Å; T194-Y196 PolarHBondContact O-N 2.94Å; T194-Y196 VanDerWaalsContact O-N 3.15Å; Y196-V200 WeakPolarHBondContact O-CG2 3.31Å
197F88.3Confident85.2Confident2 Ų243.9 Ų43.91%0.00921%0.214CC..Hα-helixtrans-79-43.5174-98.7-113000112L182 W185 P191 T194 D195 E199 V200 L201 T229 F230 Y274 V278L182-F197 HydrophobicContact CD2-CD2 4Å; L182-F197 HydrophobicContact CD2-CE2 4.22Å; W185-F197 HydrophobicContact CD2-CE2 4.08Å; W185-F197 HydrophobicContact CD2-CZ 4.43Å; W185-F197 AromaticContact CE3-CE2 3.62Å; W185-F197 HydrophobicContact CE3-CE2 3.62Å; W185-F197 AromaticContact CE3-CZ 3.87Å; W185-F197 HydrophobicContact CE3-CZ 3.87Å; W185-F197 AromaticContact CH2-CE1 3.81Å; W185-F197 HydrophobicContact CH2-CE1 3.81Å; W185-F197 AromaticContact CH2-CE2 3.55Å; W185-F197 HydrophobicContact CH2-CE2 3.55Å; W185-F197 AromaticContact CH2-CZ 2.93Å; W185-F197 HydrophobicContact CH2-CZ 2.93Å; W185-F197 AromaticContact CZ2-CE2 3.97Å; W185-F197 HydrophobicContact CZ2-CE2 3.97Å; W185-F197 AromaticContact CZ2-CZ 3.58Å; W185-F197 HydrophobicContact CZ2-CZ 3.58Å; W185-F197 HydrophobicContact CZ3-CD2 4.43Å; W185-F197 AromaticContact CZ3-CE1 3.86Å; W185-F197 HydrophobicContact CZ3-CE1 3.86Å; W185-F197 AromaticContact CZ3-CE2 3.32Å; W185-F197 HydrophobicContact CZ3-CE2 3.32Å; W185-F197 AromaticContact CZ3-CZ 3.06Å; W185-F197 HydrophobicContact CZ3-CZ 3.06Å; P191-F197 HydrophobicContact CG-CD2 3.89Å; P191-F197 HydrophobicContact CG-CE2 3.56Å; T194-F197 WeakPolarHBondContact O-CB 3.25Å; T194-F197 PolarHBondContact O-N 2.82Å; T194-F197 VanDerWaalsContact O-N 3.09Å; D195-F197 PolarHBondContact O-N 2.88Å; F197-E199 VanDerWaalsContact C-N 3.27Å; F197-E199 PolarHBondContact O-N 3.01Å; F197-V200 PolarHBondContact O-N 3.19Å; F197-L201 WeakPolarHBondContact O-CG 3.48Å; F197-L201 PolarHBondContact O-N 3.15Å; F197-T229 HydrophobicContact CE1-CG2 4.06Å; F197-T229 HydrophobicContact CZ-CG2 3.74Å; F197-F230 HydrophobicContact CE1-CB 4.36Å; F197-Y274 HydrophobicContact CD1-CE1 4.49Å; F197-Y274 AromaticContact CD2-CE1 3.6Å; F197-Y274 HydrophobicContact CD2-CE1 3.6Å; F197-Y274 AromaticContact CD2-CZ 3.85Å; F197-Y274 WeakPolarHBondContact CD2-OH 3.5Å; F197-Y274 HydrophobicContact CE1-CE1 4.24Å; F197-Y274 HydrophobicContact CE2-CD1 4.28Å; F197-Y274 AromaticContact CE2-CE1 3.3Å; F197-Y274 HydrophobicContact CE2-CE1 3.3Å; F197-Y274 AromaticContact CE2-CZ 3.87Å; F197-Y274 HydrophobicContact CG-CE1 4.11Å; F197-Y274 HydrophobicContact CZ-CD1 4.18Å; F197-Y274 AromaticContact CZ-CE1 3.53Å; F197-Y274 HydrophobicContact CZ-CE1 3.53Å; F197-V278 HydrophobicContact CB-CG1 4.2Å; F197-V278 HydrophobicContact CB-CG2 4.37Å
198L93.3Very high85.1Confident0 Ų043.1 Ų43.10%021%0.21CC..Hα-helixtrans-65.9-32.8-176-64.7168.2000111.4T194 D195 A202 V278 D281 A282 W288 L292T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 3.4Å; T194-L198 VanDerWaalsContact O-N 3.1Å; D195-L198 PolarHBondContact O-N 2.84Å; D195-L198 VanDerWaalsContact O-N 3.12Å; L198-A202 WeakPolarHBondContact O-CB 3.5Å; L198-A202 PolarHBondContact O-N 3.36Å; L198-V278 HydrophobicContact CD2-CG1 3.71Å; L198-V278 HydrophobicContact CG-CG1 4.02Å; L198-D281 HydrophobicContact CD1-CB 4.18Å; L198-A282 HydrophobicContact CD2-CB 3.71Å; L198-W288 HydrophobicContact CB-CD2 3.76Å; L198-W288 HydrophobicContact CB-CE3 3.84Å; L198-W288 HydrophobicContact CB-CG 4.4Å; L198-W288 HydrophobicContact CB-CH2 3.9Å; L198-W288 HydrophobicContact CB-CZ2 3.77Å; L198-W288 HydrophobicContact CB-CZ3 3.92Å; L198-W288 HydrophobicContact CD1-CD2 4.08Å; L198-W288 HydrophobicContact CD1-CG 3.96Å; L198-W288 HydrophobicContact CD1-CZ2 4.45Å; L198-W288 HydrophobicContact CG-CD2 4.43Å; L198-L292 HydrophobicContact CD2-CD1 3.85Å
199E92.3Very high84.7Confident42 Ų4240.8 Ų40.820%0.19621%0.209CC..Hα-helixtrans-64-47.2171.9-71.3174-178.500112.5H158 F159 D195 F197 L201 A202 E203 W288H158-E199 IonicContact CD2-OE1 3.58Å; H158-E199 IonicContact CD2-OE2 3.53Å; H158-E199 PolarHBondContact CD2-OE2 3.1Å; H158-E199 VanDerWaalsContact CD2-OE2 3.28Å; H158-E199 IonicContact CG-OE2 3.07Å; F159-E199 HydrophobicContact CD1-CB 4.23Å; F159-E199 HydrophobicContact CE1-CB 3.6Å; F159-E199 HydrophobicContact CZ-CB 4.29Å; D195-E199 WeakPolarHBondContact O-CB 3.39Å; D195-E199 VanDerWaalsContact O-CG 3.25Å; D195-E199 WeakPolarHBondContact O-CG 3.31Å; D195-E199 PolarHBondContact O-N 2.87Å; F197-E199 VanDerWaalsContact C-N 3.27Å; F197-E199 PolarHBondContact O-N 3.01Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-L201 PolarHBondContact O-N 3.38Å; E199-A202 PolarHBondContact O-N 3.43Å; E199-E203 PolarHBondContact O-N 3.49Å; E199-W288 HydrophobicContact CG-CH2 3.67Å; E199-W288 HydrophobicContact CG-CZ3 4.5Å
200V91.8Very high83.8Confident2 Ų237.5 Ų37.51%0.01219%0.191CC..Hα-helixtrans-63.4-42.9177.31750000110.6V111 F159 L182 Y196 F197 E203 L204 F230V111-V200 HydrophobicContact CG1-CG1 4.37Å; F159-V200 HydrophobicContact CB-CG2 3.78Å; F159-V200 HydrophobicContact CD1-CG2 3.98Å; F159-V200 HydrophobicContact CD2-CG2 3.91Å; F159-V200 HydrophobicContact CE2-CG2 4.43Å; F159-V200 HydrophobicContact CG-CG2 3.63Å; L182-V200 HydrophobicContact CD1-CG2 4.27Å; Y196-V200 WeakPolarHBondContact O-CG2 3.31Å; F197-V200 PolarHBondContact O-N 3.19Å; V200-E203 PolarHBondContact O-N 3.37Å; V200-L204 HydrophobicContact CG1-CD1 4.07Å; V200-L204 WeakPolarHBondContact O-CG 3.31Å; V200-L204 PolarHBondContact O-N 3.23Å; V200-F230 HydrophobicContact CG1-CE2 4.41Å
201L92.4Very high83.2Confident0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-62.5-46.7176-71.5168.8000110.9F197 E199 E203 L204 Y205 F230 V233 Y234 L237 L292F197-L201 WeakPolarHBondContact O-CG 3.48Å; F197-L201 PolarHBondContact O-N 3.15Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-L201 PolarHBondContact O-N 3.38Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 2.92Å; L201-L204 WeakPolarHBondContact O-CB 3.45Å; L201-L204 PolarHBondContact O-N 3.19Å; L201-L204 VanDerWaalsContact O-N 3.17Å; L201-Y205 HydrophobicContact CB-CD2 4.37Å; L201-Y205 HydrophobicContact CB-CE2 4.45Å; L201-Y205 WeakPolarHBondContact O-CB 3.21Å; L201-Y205 WeakPolarHBondContact O-CD2 3.37Å; L201-Y205 PolarHBondContact O-N 2.93Å; L201-F230 HydrophobicContact CD2-CE2 3.69Å; L201-F230 HydrophobicContact CD2-CZ 3.76Å; L201-F230 HydrophobicContact CG-CE2 4.34Å; L201-V233 HydrophobicContact CD1-CG1 3.72Å; L201-Y234 HydrophobicContact CD2-CD2 3.69Å; L201-Y234 HydrophobicContact CD2-CE2 4.24Å; L201-Y234 HydrophobicContact CD2-CG 4.13Å; L201-L237 HydrophobicContact CD1-CD1 3.95Å; L201-L292 HydrophobicContact CB-CD2 3.8Å
202A91.7Very high82.7Confident5 Ų539.1 Ų39.14%0.04120%0.203CC..Hα-helixtrans-58.9-40.6177.700000112.2L198 E199 Y205 K206 W288 L291 L292L198-A202 WeakPolarHBondContact O-CB 3.5Å; L198-A202 PolarHBondContact O-N 3.36Å; E199-A202 PolarHBondContact O-N 3.43Å; A202-Y205 PolarHBondContact O-N 3.04Å; A202-K206 WeakPolarHBondContact O-CG 3.19Å; A202-K206 PolarHBondContact O-N 3.34Å; A202-W288 HydrophobicContact CB-CZ3 4.24Å; A202-L291 HydrophobicContact CB-CB 4.07Å; A202-L292 HydrophobicContact CB-CD2 4.26Å
203E89.8Confident82.6Confident38 Ų3839.7 Ų39.718%0.17820%0.197CC..Hα-helixtrans-66.8-42174.1-76.1-55.714500113F159 Y180 E199 V200 L201 Y205 K206F159-E203 HydrophobicContact CE2-CB 4.32Å; F159-E203 HydrophobicContact CE2-CG 3.84Å; F159-E203 HydrophobicContact CZ-CB 4.43Å; F159-E203 HydrophobicContact CZ-CG 3.6Å; Y180-E203 HydrophobicContact CD1-CB 4.45Å; Y180-E203 HydrophobicContact CE1-CB 3.86Å; E199-E203 PolarHBondContact O-N 3.49Å; V200-E203 PolarHBondContact O-N 3.37Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 2.92Å; E203-Y205 VanDerWaalsContact C-N 3.28Å; E203-Y205 PolarHBondContact O-N 2.81Å; E203-K206 PolarHBondContact O-N 3.3Å; E203-K206 IonicContact OE1-NZ 3.79Å; E203-K206 PolarHBondContact OE1-NZ 3.32Å; E203-K206 IonicContact OE2-NZ 3.67Å
204L87.3Confident82.6Confident2 Ų239.3 Ų39.31%0.0120%0.195CC..Hα-helixtrans-59.4-42.3173.6-74.8165.9000111.3A109 V111 Y180 V200 L201 K206 E207 D208 T216 F230A109-L204 HydrophobicContact CB-CD2 4Å; V111-L204 HydrophobicContact CG2-CD1 3.74Å; V111-L204 HydrophobicContact CG2-CD2 4.19Å; Y180-L204 HydrophobicContact CD2-CD2 3.63Å; Y180-L204 HydrophobicContact CD2-CG 4.31Å; Y180-L204 HydrophobicContact CE2-CD2 3.26Å; Y180-L204 HydrophobicContact CE2-CG 4.11Å; Y180-L204 HydrophobicContact CG-CD2 4.4Å; V200-L204 HydrophobicContact CG1-CD1 4.07Å; V200-L204 WeakPolarHBondContact O-CG 3.31Å; V200-L204 PolarHBondContact O-N 3.23Å; L201-L204 WeakPolarHBondContact O-CB 3.45Å; L201-L204 PolarHBondContact O-N 3.19Å; L201-L204 VanDerWaalsContact O-N 3.17Å; L204-K206 VanDerWaalsContact C-N 3.29Å; L204-K206 PolarHBondContact O-N 2.87Å; L204-E207 PolarHBondContact O-N 3.26Å; L204-D208 VanDerWaalsContact O-CB 3.26Å; L204-D208 WeakPolarHBondContact O-CB 3.29Å; L204-D208 PolarHBondContact O-N 3.38Å; L204-T216 HydrophobicContact CD2-CG2 4.46Å; L204-F230 HydrophobicContact CD1-CE2 3.98Å; L204-F230 HydrophobicContact CD1-CZ 3.52Å
205Y84.9Confident82.7Confident20 Ų2039 Ų398%0.07819%0.193CC..Hα-helixtrans-66.1-24.6179.4-88.4-67.3000114.5L201 A202 E203 E207 M210 Y234 L237 L292L201-Y205 HydrophobicContact CB-CD2 4.37Å; L201-Y205 HydrophobicContact CB-CE2 4.45Å; L201-Y205 WeakPolarHBondContact O-CB 3.21Å; L201-Y205 WeakPolarHBondContact O-CD2 3.37Å; L201-Y205 PolarHBondContact O-N 2.93Å; A202-Y205 PolarHBondContact O-N 3.04Å; E203-Y205 VanDerWaalsContact C-N 3.28Å; E203-Y205 PolarHBondContact O-N 2.81Å; Y205-E207 VanDerWaalsContact C-N 3.33Å; Y205-M210 HydrophobicContact CD1-CE 3.79Å; Y205-M210 HydrophobicContact CD1-CG 3.53Å; Y205-M210 HydrophobicContact CD1-SD 3.5Å; Y205-M210 WeakPolarHBondContact CD1-SD 3.5Å; Y205-M210 HydrophobicContact CE1-CE 3.16Å; Y205-M210 HydrophobicContact CE1-CG 3.73Å; Y205-M210 HydrophobicContact CE1-SD 3.57Å; Y205-M210 VanDerWaalsContact CE1-SD 3.57Å; Y205-M210 HydrophobicContact CG-SD 4.33Å; Y205-Y234 HydrophobicContact CE1-CE2 4.28Å; Y205-Y234 HydrophobicContact CE2-CD2 4.2Å; Y205-Y234 AromaticContact CE2-CE2 3.85Å; Y205-Y234 HydrophobicContact CE2-CE2 3.85Å; Y205-Y234 AromaticContact CZ-CE2 3.68Å; Y205-L237 HydrophobicContact CE2-CD1 4.38Å; Y205-L292 HydrophobicContact CD2-CB 4.37Å; Y205-L292 HydrophobicContact CD2-CD2 3.47Å; Y205-L292 VanDerWaalsContact CD2-CD2 3.47Å; Y205-L292 HydrophobicContact CE2-CB 4.35Å; Y205-L292 HydrophobicContact CE2-CD2 3.75Å
206K81.5Confident82.9Confident111 Ų11136.5 Ų36.548%0.48318%0.18SC..Hα-helixtrans-71.4-31175.6-73.5172.2-173.7176.20112.5A202 E203 L204A202-K206 WeakPolarHBondContact O-CG 3.19Å; A202-K206 PolarHBondContact O-N 3.34Å; E203-K206 PolarHBondContact O-N 3.3Å; E203-K206 IonicContact OE1-NZ 3.79Å; E203-K206 PolarHBondContact OE1-NZ 3.32Å; E203-K206 IonicContact OE2-NZ 3.67Å; L204-K206 VanDerWaalsContact C-N 3.29Å; L204-K206 PolarHBondContact O-N 2.87Å
207E68.1Low83.3Confident91 Ų9134.9 Ų34.943%0.42517%0.173SC..Hα-helixtrans-111.5-33.3-163.3-67.7-70.6176.100112.9K178 L204 Y205K178-E207 HydrophobicContact CD-CG 4.23Å; K178-E207 VanDerWaalsContact NZ-CG 3.27Å; K178-E207 IonicContact NZ-OE1 3.29Å; K178-E207 PolarHBondContact NZ-OE1 2.81Å; K178-E207 IonicContact NZ-OE2 2.67Å; K178-E207 PolarHBondContact NZ-OE2 3.4Å; L204-E207 PolarHBondContact O-N 3.26Å; Y205-E207 VanDerWaalsContact C-N 3.33Å
208D61.1Low83.7Confident28 Ų2834.8 Ų34.815%0.1517%0.173CC..  trans-80.3121.1168.6-166.2-7.7000107L204 M210L204-D208 VanDerWaalsContact O-CB 3.26Å; L204-D208 WeakPolarHBondContact O-CB 3.29Å; L204-D208 PolarHBondContact O-N 3.38Å; D208-M210 HydrophobicContact CB-CG 4.5Å; D208-M210 HydrophobicContact CB-SD 3.84Å; D208-M210 WeakPolarHBondContact O-CG 3.32Å; D208-M210 PolarHBondContact O-N 2.77Å; D208-M210 PolarHBondContact OD1-N 3.13Å
209S53.6Low84Confident77 Ų7734.8 Ų34.854%0.53817%0.173SC..  trans-60.3-5167.137.80000111.9D211S209-D211 WeakPolarHBondContact CB-OD2 3.44Å; S209-D211 PolarHBondContact O-N 3.33Å; S209-D211 PolarHBondContact OG-OD1 3.4Å; S209-D211 PolarHBondContact OG-OD2 2.59Å
210M60.5Low84.2Confident11 Ų1133.1 Ų33.15%0.05417%0.166CC..SBendtrans56.820.6-179.4-57.6-62.6-62.200111.5N81 Y205 D208 G212 Y234 L238N81-M210 VanDerWaalsContact CB-O 3.23Å; N81-M210 WeakPolarHBondContact CB-O 3.43Å; N81-M210 PolarHBondContact ND2-O 2.93Å; Y205-M210 HydrophobicContact CD1-CE 3.79Å; Y205-M210 HydrophobicContact CD1-CG 3.53Å; Y205-M210 HydrophobicContact CD1-SD 3.5Å; Y205-M210 WeakPolarHBondContact CD1-SD 3.5Å; Y205-M210 HydrophobicContact CE1-CE 3.16Å; Y205-M210 HydrophobicContact CE1-CG 3.73Å; Y205-M210 HydrophobicContact CE1-SD 3.57Å; Y205-M210 VanDerWaalsContact CE1-SD 3.57Å; Y205-M210 HydrophobicContact CG-SD 4.33Å; D208-M210 HydrophobicContact CB-CG 4.5Å; D208-M210 HydrophobicContact CB-SD 3.84Å; D208-M210 WeakPolarHBondContact O-CG 3.32Å; D208-M210 PolarHBondContact O-N 2.77Å; D208-M210 PolarHBondContact OD1-N 3.13Å; M210-G212 PolarHBondContact O-N 3.16Å; M210-Y234 HydrophobicContact CE-CE1 4.43Å; M210-Y234 HydrophobicContact CE-CE2 3.39Å; M210-Y234 WeakPolarHBondContact CE-OH 3.44Å; M210-Y234 HydrophobicContact SD-CE2 4.22Å; M210-Y234 PolarHBondContact SD-OH 3.25Å; M210-L238 HydrophobicContact CE-CD1 4.11Å; M210-L238 HydrophobicContact CE-CD2 3.28Å; M210-L238 HydrophobicContact CE-CG 3.86Å
211D71.1Confident84.4Confident53 Ų5333.1 Ų33.128%0.28317%0.166SC..SBendtrans-82.1-1.8178.158.929.8000111.4S209 R213S209-D211 WeakPolarHBondContact CB-OD2 3.44Å; S209-D211 PolarHBondContact O-N 3.33Å; S209-D211 PolarHBondContact OG-OD1 3.4Å; S209-D211 PolarHBondContact OG-OD2 2.59Å; D211-R213 HydrophobicContact CB-CG 4.43Å; D211-R213 PolarHBondContact O-N 3.45Å; D211-R213 WeakPolarHBondContact OD1-CB 3.44Å; D211-R213 WeakPolarHBondContact OD1-CG 3.46Å; D211-R213 PolarHBondContact OD1-N 3.37Å; D211-R213 IonicContact OD1-NE 2.92Å; D211-R213 PolarHBondContact OD1-NE 3.36Å; D211-R213 IonicContact OD2-CZ 2.73Å; D211-R213 IonicContact OD2-NE 2.66Å; D211-R213 PolarHBondContact OD2-NE 2.99Å; D211-R213 IonicContact OD2-NH2 2.72Å; D211-R213 PolarHBondContact OD2-NH2 3.28Å
212G76.6Confident84.7Confident18 Ų1833.7 Ų33.719%0.18617%0.17CC..SBendtrans67.815.8177.500000113.2N83 M210N83-G212 PolarHBondContact ND2-O 2.89Å; M210-G212 PolarHBondContact O-N 3.16Å
213R84.8Confident85Confident195 Ų19533.4 Ų33.474%0.73617%0.168SC*.SBendtrans-68.2-34.6-177.9-76.5-173-71.7174.9-9.1113.4D211D211-R213 HydrophobicContact CB-CG 4.43Å; D211-R213 PolarHBondContact O-N 3.45Å; D211-R213 WeakPolarHBondContact OD1-CB 3.44Å; D211-R213 WeakPolarHBondContact OD1-CG 3.46Å; D211-R213 PolarHBondContact OD1-N 3.37Å; D211-R213 IonicContact OD1-NE 2.92Å; D211-R213 PolarHBondContact OD1-NE 3.36Å; D211-R213 IonicContact OD2-CZ 2.73Å; D211-R213 IonicContact OD2-NE 2.66Å; D211-R213 PolarHBondContact OD2-NE 2.99Å; D211-R213 IonicContact OD2-NH2 2.72Å; D211-R213 PolarHBondContact OD2-NH2 3.28Å
214S91.4Very high85.4Confident28 Ų2831.7 Ų31.720%0.19616%0.16CC..SBendtrans-123.8131.9179.9-81.50000110.3K106K106-S214 VanDerWaalsContact O-CB 3.29Å; K106-S214 WeakPolarHBondContact O-CB 3.22Å; K106-S214 PolarHBondContact O-OG 2.85Å
215P94.6Very high85.8Confident9 Ų931.6 Ų31.66%0.05816%0.16CC..PPolyproline II helixtrans-67.3136.9178.121.9-27.6000111.7N83 I85 K105 C107N83-P215 WeakPolarHBondContact O-CA 3.38Å; N83-P215 WeakPolarHBondContact OD1-CB 3.41Å; I85-P215 HydrophobicContact CD1-CB 3.79Å; I85-P215 HydrophobicContact CD1-CG 3.75Å; I85-P215 HydrophobicContact CG1-CB 3.84Å; I85-P215 HydrophobicContact CG1-CG 4.34Å; K105-P215 HydrophobicContact CB-CG 4Å; K105-P215 VanDerWaalsContact O-CD 3.22Å; K105-P215 WeakPolarHBondContact O-CD 3.26Å; K105-P215 WeakPolarHBondContact O-CG 3.45Å; C107-P215 WeakPolarHBondContact CA-O 3.47Å; C107-P215 WeakPolarHBondContact CB-O 3.41Å
216T95.7Very high86.4Confident1 Ų130.8 Ų30.81%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-86.2124.3164.5-700000109.2N83 L84 I85 A109 V111 L204 V218N83-T216 PolarHBondContact O-N 3.03Å; N83-T216 VanDerWaalsContact O-N 3.07Å; L84-T216 WeakPolarHBondContact CA-O 3.45Å; L84-T216 HydrophobicContact CD2-CG2 4.23Å; I85-T216 PolarHBondContact N-O 2.82Å; A109-T216 HydrophobicContact CB-CG2 3.99Å; V111-T216 HydrophobicContact CG2-CG2 3.82Å; L204-T216 HydrophobicContact CD2-CG2 4.46Å; T216-V218 HydrophobicContact CG2-CG2 4.19Å
217V98.3Very high87.1Confident0 Ų025.5 Ų25.50%013%0.134CC..EExtended strand (participates in β ladder)trans-83.3130.7176.4-178.90000109.6I85 T87 F98 M101 I102 C107 A109 I110 V111I85-V217 HydrophobicContact CB-CG2 4.16Å; I85-V217 CarbonylContact O-C 3.59Å; I85-V217 WeakPolarHBondContact O-CA 3.39Å; T87-V217 HydrophobicContact CG2-CG1 3.82Å; F98-V217 HydrophobicContact CE2-CG1 4.08Å; F98-V217 HydrophobicContact CZ-CG1 4.45Å; M101-V217 HydrophobicContact CE-CG1 4.14Å; M101-V217 HydrophobicContact CE-CG2 4.45Å; I102-V217 HydrophobicContact CD1-CB 3.93Å; I102-V217 HydrophobicContact CD1-CG1 4.21Å; I102-V217 HydrophobicContact CD1-CG2 3.28Å; C107-V217 HydrophobicContact CB-CG2 3.89Å; C107-V217 WeakPolarHBondContact SG-CG2 3.42Å; A109-V217 PolarHBondContact O-N 2.79Å; I110-V217 CarbonylContact C-O 3.56Å; I110-V217 WeakPolarHBondContact CA-O 3.47Å; I110-V217 HydrophobicContact CG1-CB 4.35Å; V111-V217 PolarHBondContact N-O 2.95Å
218V98.1Very high88.6Confident0 Ų021.2 Ų21.20%011%0.114CC..EExtended strand (participates in β ladder)trans-126122178.9-172.80000109.1L84 I85 L86 T87 V111 L113 T216 F230L84-V218 HydrophobicContact CD1-CG2 4.41Å; L84-V218 HydrophobicContact CD2-CG2 4.1Å; I85-V218 PolarHBondContact O-N 2.82Å; L86-V218 WeakPolarHBondContact CA-O 3.36Å; L86-V218 HydrophobicContact CD1-CB 4.06Å; L86-V218 HydrophobicContact CD1-CG2 4.4Å; L86-V218 HydrophobicContact CG-CB 4.34Å; T87-V218 PolarHBondContact N-O 3.32Å; V111-V218 HydrophobicContact CB-CG1 4.28Å; V111-V218 HydrophobicContact CB-CG2 4.22Å; V111-V218 HydrophobicContact CG1-CG1 4.47Å; V111-V218 HydrophobicContact CG2-CG2 4.46Å; V111-V218 WeakPolarHBondContact O-CA 2.95Å; L113-V218 HydrophobicContact CD1-CG1 3.69Å; L113-V218 HydrophobicContact CG-CG1 4.42Å; T216-V218 HydrophobicContact CG2-CG2 4.19Å; V218-F230 HydrophobicContact CB-CD1 4.4Å; V218-F230 HydrophobicContact CG1-CB 4.21Å; V218-F230 HydrophobicContact CG1-CD1 3.83Å; V218-F230 HydrophobicContact CG1-CG 4.08Å; V218-F230 HydrophobicContact CG2-CD1 3.72Å; V218-F230 HydrophobicContact CG2-CE1 3.71Å
219H98.4Very high90.3Very high0 Ų019.9 Ų19.90%011%0.107CC..EExtended strand (participates in β ladder)trans-135.8152.2177.586.387.6000112.3T87 V111 M112 L113 Y127 S227T87-H219 HydrophobicContact CG2-CB 3.76Å; T87-H219 WeakPolarHBondContact O-CA 3.33Å; T87-H219 WeakPolarHBondContact O-CB 3.45Å; V111-H219 PolarHBondContact O-N 3.04Å; M112-H219 WeakPolarHBondContact CB-NE2 3.26Å; M112-H219 WeakPolarHBondContact CG-NE2 3.17Å; L113-H219 PolarHBondContact N-O 3.43Å; Y127-H219 AromaticContact CE1-CE1 3.76Å; Y127-H219 AromaticContact CE1-NE2 3.52Å; Y127-H219 AromaticContact CZ-NE2 3.47Å; Y127-H219 PolarHBondContact OH-NE2 2.73Å; H219-S227 VanDerWaalsContact C-OG 3.31Å; H219-S227 WeakPolarHBondContact CA-OG 3.37Å
220C96.1Very high92.3Very high6 Ų616.3 Ų16.34%0.0418%0.081CC..  trans-125.1-130.8164.963.10000107.8G89 L113 T114 G223 R226 S227G89-C220 WeakPolarHBondContact CA-O 3.45Å; G89-C220 PolarHBondContact N-O 3.48Å; G89-C220 VanDerWaalsContact N-O 3.1Å; L113-C220 HydrophobicContact CB-CB 4.13Å; T114-C220 VanDerWaalsContact CG2-C 3.47Å; T114-C220 WeakPolarHBondContact CG2-O 3.49Å; C220-G223 PolarHBondContact SG-N 2.8Å; C220-R226 HydrophobicContact CB-CB 3.77Å; C220-R226 HydrophobicContact CB-CG 4.28Å; C220-S227 PolarHBondContact N-OG 3.24Å
221S97.1Very high94.1Very high3 Ų315.8 Ų15.82%0.0218%0.079CC..SBendtrans-81.9-60.9168.7-165.10000111.2R50 Y51 Q88 G89 K123R50-S221 WeakPolarHBondContact CD-O 3.45Å; Y51-S221 PolarHBondContact OH-OG 3.26Å; Q88-S221 WeakPolarHBondContact CA-O 3.45Å; G89-S221 PolarHBondContact N-O 3.33Å; K123-S221 WeakPolarHBondContact CA-OG 3.38Å; K123-S221 WeakPolarHBondContact CD-OG 3.39Å; K123-S221 WeakPolarHBondContact O-CA 3.15Å; K123-S221 PolarHBondContact O-OG 3.48Å
222A97.6Very high95.3Very high11 Ų1113.2 Ų13.29%0.0917%0.065CC..SBendtrans-89.3-15.8-178.900000113.8Y51 V54 V224 R262Y51-A222 HydrophobicContact CD2-CB 3.58Å; Y51-A222 HydrophobicContact CE2-CB 3.63Å; V54-A222 HydrophobicContact CG1-CB 4.32Å; V54-A222 WeakPolarHBondContact CG1-O 3.37Å; V54-A222 HydrophobicContact CG2-CB 4.19Å; A222-V224 HydrophobicContact CB-CG2 3.7Å; A222-R262 PolarHBondContact O-NH2 3.08Å; A222-R262 VanDerWaalsContact O-NH2 3.1Å
223G98.2Very high96.2Very high0 Ų012.4 Ų12.40%06%0.056CC..SBendtrans75.225.4-176.100000114.5T87 C220 R262T87-G223 WeakPolarHBondContact O-CA 3.33Å; C220-G223 PolarHBondContact SG-N 2.8Å; G223-R262 PolarHBondContact O-NE 2.85Å
224V98.1Very high96.7Very high1 Ų13.3 Ų3.31%0.0062%0.022CC..SBendtrans-133.3-55-174.7-67.30000114.4V54 A222 G228 R262 M263 L265 V266 Q267V54-V224 HydrophobicContact CG1-CG1 3.65Å; V54-V224 HydrophobicContact CG1-CG2 4.09Å; V54-V224 HydrophobicContact CG2-CG2 4.42Å; A222-V224 HydrophobicContact CB-CG2 3.7Å; V224-G228 WeakPolarHBondContact O-CA 3.46Å; V224-G228 PolarHBondContact O-N 3.39Å; V224-R262 HydrophobicContact CG1-CG 4.27Å; V224-M263 WeakPolarHBondContact CG1-O 3.29Å; V224-L265 HydrophobicContact CB-CD2 4.45Å; V224-L265 HydrophobicContact CG1-CD2 4.43Å; V224-L265 WeakPolarHBondContact O-CA 3.48Å; V224-V266 PolarHBondContact O-N 3.03Å; V224-Q267 HydrophobicContact CG2-CG 4.14Å; V224-Q267 VanDerWaalsContact CG2-NE2 3.27Å
225G96.8Very high96.9Very high1 Ų12 Ų21%0.011%0.013CC..Hα-helixtrans-66.9-73.4-177.800000113.2G228 T229 Q271G225-G228 PolarHBondContact O-N 2.92Å; G225-T229 PolarHBondContact O-N 3.21Å; G225-T229 PolarHBondContact O-OG1 3.45Å; G225-Q271 PolarHBondContact O-OE1 3.14Å
226R96.3Very high96.9Very high3 Ų31.5 Ų1.51%0.0111%0.01CC..Hα-helixtrans-62.1-45.7177.3-54.5-175.8-150.4172.811.3112.3L113 T114 E118 W185 D187 C220 G228 T229 F230L113-R226 HydrophobicContact CB-CB 4.05Å; L113-R226 HydrophobicContact CD1-CB 4.15Å; L113-R226 WeakPolarHBondContact O-CD 3.22Å; L113-R226 PolarHBondContact O-NH1 2.92Å; T114-R226 PolarHBondContact OG1-NH1 2.94Å; E118-R226 IonicContact OE1-CZ 2.7Å; E118-R226 IonicContact OE1-NH1 3.53Å; E118-R226 PolarHBondContact OE1-NH1 3.24Å; E118-R226 IonicContact OE1-NH2 3.47Å; E118-R226 PolarHBondContact OE1-NH2 3.33Å; E118-R226 IonicContact OE2-CZ 3.28Å; E118-R226 IonicContact OE2-NH1 2.73Å; E118-R226 IonicContact OE2-NH2 2.75Å; E118-R226 PolarHBondContact OE2-NH2 2.72Å; W185-R226 HydrophobicContact CD2-CB 4.06Å; W185-R226 HydrophobicContact CD2-CG 3.83Å; W185-R226 VanDerWaalsContact CE2-CG 3.47Å; W185-R226 HydrophobicContact CE3-CB 4.05Å; W185-R226 HydrophobicContact CE3-CG 4.31Å; W185-R226 HydrophobicContact CG-CG 4.28Å; W185-R226 HydrophobicContact CH2-CB 3.41Å; W185-R226 VanDerWaalsContact CH2-CB 3.41Å; W185-R226 HydrophobicContact CH2-CG 4.06Å; W185-R226 WeakPolarHBondContact CH2-O 3.46Å; W185-R226 VanDerWaalsContact CZ2-CA 3.47Å; W185-R226 HydrophobicContact CZ2-CB 3.5Å; W185-R226 VanDerWaalsContact CZ2-CB 3.5Å; W185-R226 HydrophobicContact CZ2-CG 3.62Å; W185-R226 HydrophobicContact CZ3-CB 3.76Å; W185-R226 HydrophobicContact CZ3-CG 4.43Å; W185-R226 PolarHBondContact O-NH1 3.44Å; D187-R226 IonicContact OD1-CZ 3.91Å; D187-R226 IonicContact OD1-NE 2.69Å; D187-R226 IonicContact OD1-NH2 3.42Å; D187-R226 PolarHBondContact OD1-NH2 3.12Å; D187-R226 IonicContact OD2-NH2 3.55Å; C220-R226 HydrophobicContact CB-CB 3.77Å; C220-R226 HydrophobicContact CB-CG 4.28Å; R226-G228 VanDerWaalsContact C-N 3.3Å; R226-G228 PolarHBondContact O-N 3.34Å; R226-T229 WeakPolarHBondContact O-CB 3.49Å; R226-T229 PolarHBondContact O-N 3.21Å; R226-T229 VanDerWaalsContact O-N 3.15Å; R226-F230 PolarHBondContact O-N 2.65Å
227S97.6Very high96.8Very high0 Ų01.5 Ų1.50%01%0.01CC..Hα-helixtrans-59.8-39.9176.4-58.90000112.6H219 C220 F230 A231H219-S227 VanDerWaalsContact C-OG 3.31Å; H219-S227 WeakPolarHBondContact CA-OG 3.37Å; C220-S227 PolarHBondContact N-OG 3.24Å; S227-F230 PolarHBondContact O-N 3.01Å; S227-A231 WeakPolarHBondContact O-CB 3.41Å; S227-A231 PolarHBondContact O-N 2.77Å
228G98Very high96.5Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-69.7-34.5175.600000113.1V224 G225 R226 A231 A232V224-G228 WeakPolarHBondContact O-CA 3.46Å; V224-G228 PolarHBondContact O-N 3.39Å; G225-G228 PolarHBondContact O-N 2.92Å; R226-G228 VanDerWaalsContact C-N 3.3Å; R226-G228 PolarHBondContact O-N 3.34Å; G228-A231 PolarHBondContact O-N 2.85Å; G228-A232 VanDerWaalsContact O-CB 3.24Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 2.94Å
229T97.3Very high96.3Very high0 Ų05.2 Ų5.20%03%0.027CC..Hα-helixtrans-62-46.5172.2-54.60000110.4W185 F197 G225 R226 V233 Y274 C275W185-T229 HydrophobicContact CH2-CG2 3.92Å; W185-T229 HydrophobicContact CZ2-CG2 3.9Å; F197-T229 HydrophobicContact CE1-CG2 4.06Å; F197-T229 HydrophobicContact CZ-CG2 3.74Å; G225-T229 PolarHBondContact O-N 3.21Å; G225-T229 PolarHBondContact O-OG1 3.45Å; R226-T229 WeakPolarHBondContact O-CB 3.49Å; R226-T229 PolarHBondContact O-N 3.21Å; R226-T229 VanDerWaalsContact O-N 3.15Å; T229-V233 WeakPolarHBondContact O-CG2 3.09Å; T229-V233 PolarHBondContact O-N 2.83Å; T229-V233 VanDerWaalsContact O-N 3.14Å; T229-Y274 HydrophobicContact CG2-CD1 4.01Å; T229-C275 WeakPolarHBondContact CG2-SG 3.28Å
230F96.1Very high96Very high2 Ų25.2 Ų5.21%0.0093%0.027CC..Hα-helixtrans-59.6-50.4173.2179.4-83.2000111.6V111 L113 F197 V200 L201 L204 V218 R226 S227 A232 V233 Y234V111-F230 HydrophobicContact CG1-CD2 4.2Å; V111-F230 HydrophobicContact CG1-CE2 4.02Å; V111-F230 HydrophobicContact CG1-CZ 4.43Å; V111-F230 HydrophobicContact CG2-CE2 4.47Å; V111-F230 HydrophobicContact CG2-CZ 4.15Å; L113-F230 HydrophobicContact CD1-CB 3.77Å; L113-F230 HydrophobicContact CD1-CG 4.38Å; F197-F230 HydrophobicContact CE1-CB 4.36Å; V200-F230 HydrophobicContact CG1-CE2 4.41Å; L201-F230 HydrophobicContact CD2-CE2 3.69Å; L201-F230 HydrophobicContact CD2-CZ 3.76Å; L201-F230 HydrophobicContact CG-CE2 4.34Å; L204-F230 HydrophobicContact CD1-CE2 3.98Å; L204-F230 HydrophobicContact CD1-CZ 3.52Å; V218-F230 HydrophobicContact CB-CD1 4.4Å; V218-F230 HydrophobicContact CG1-CB 4.21Å; V218-F230 HydrophobicContact CG1-CD1 3.83Å; V218-F230 HydrophobicContact CG1-CG 4.08Å; V218-F230 HydrophobicContact CG2-CD1 3.72Å; V218-F230 HydrophobicContact CG2-CE1 3.71Å; R226-F230 PolarHBondContact O-N 2.65Å; S227-F230 PolarHBondContact O-N 3.01Å; F230-A232 VanDerWaalsContact C-N 3.35Å; F230-A232 PolarHBondContact O-N 2.86Å; F230-V233 PolarHBondContact O-N 2.79Å; F230-Y234 HydrophobicContact CE1-CD1 4.01Å; F230-Y234 HydrophobicContact CE1-CG 4.31Å; F230-Y234 VanDerWaalsContact O-CB 3.29Å; F230-Y234 WeakPolarHBondContact O-CB 3.49Å; F230-Y234 PolarHBondContact O-N 3.4Å
231A97.1Very high95.8Very high0 Ų09 Ų90%04%0.04CC..Hα-helixtrans-60-42.8-179.200000112.3L84 L86 S227 G228 Y234 A235 L258L84-A231 HydrophobicContact CD1-CB 3.8Å; L86-A231 HydrophobicContact CD1-CB 4.33Å; L86-A231 HydrophobicContact CD2-CB 4.15Å; S227-A231 WeakPolarHBondContact O-CB 3.41Å; S227-A231 PolarHBondContact O-N 2.77Å; G228-A231 PolarHBondContact O-N 2.85Å; A231-Y234 PolarHBondContact O-N 2.89Å; A231-A235 WeakPolarHBondContact O-CB 3.2Å; A231-A235 PolarHBondContact O-N 2.97Å; A231-L258 HydrophobicContact CB-CD1 4.24Å
232A97.6Very high95.4Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-64.4-45.5179.500000112.4G228 F230 C236 L254 V255 L258 V266G228-A232 VanDerWaalsContact O-CB 3.24Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 2.94Å; F230-A232 VanDerWaalsContact C-N 3.35Å; F230-A232 PolarHBondContact O-N 2.86Å; A232-C236 VanDerWaalsContact O-CB 3.24Å; A232-C236 WeakPolarHBondContact O-CB 3.32Å; A232-C236 PolarHBondContact O-N 3.32Å; A232-C236 VanDerWaalsContact O-N 3.08Å; A232-L254 HydrophobicContact CB-CD2 4.32Å; A232-V255 HydrophobicContact CB-CG2 3.84Å; A232-L258 HydrophobicContact CB-CD1 4.22Å; A232-V266 HydrophobicContact CB-CG2 4.21Å
233V96.1Very high95.1Very high0 Ų014.2 Ų14.20%08%0.077CC..Hα-helixtrans-62.5-48.8175172.60000110.1L201 T229 F230 A235 C236 L237 C275 V278 V279L201-V233 HydrophobicContact CD1-CG1 3.72Å; T229-V233 WeakPolarHBondContact O-CG2 3.09Å; T229-V233 PolarHBondContact O-N 2.83Å; T229-V233 VanDerWaalsContact O-N 3.14Å; F230-V233 PolarHBondContact O-N 2.79Å; V233-A235 PolarHBondContact O-N 3.23Å; V233-C236 WeakPolarHBondContact O-CB 3.24Å; V233-C236 PolarHBondContact O-N 3.18Å; V233-L237 HydrophobicContact CG1-CD1 4.31Å; V233-L237 HydrophobicContact CG1-CG 4.45Å; V233-L237 WeakPolarHBondContact O-CG 3.04Å; V233-L237 PolarHBondContact O-N 3.09Å; V233-C275 HydrophobicContact CG2-CB 3.97Å; V233-V278 HydrophobicContact CG1-CB 4.29Å; V233-V278 HydrophobicContact CG1-CG1 3.58Å; V233-V278 HydrophobicContact CG2-CB 4.08Å; V233-V278 HydrophobicContact CG2-CG1 4.2Å; V233-V279 HydrophobicContact CG1-CG2 4.27Å; V233-V279 HydrophobicContact CG2-CG2 4.43Å
234Y94.7Very high94.8Very high4 Ų419.8 Ų19.82%0.01611%0.107CC..Hα-helixtrans-64.3-45.2-174.9-170.6-146.5000112.7L82 L84 L201 Y205 M210 F230 A231 C236 L237 L238L82-Y234 HydrophobicContact CD1-CD1 3.75Å; L82-Y234 HydrophobicContact CD1-CE1 4.34Å; L82-Y234 HydrophobicContact CD1-CG 4.4Å; L84-Y234 HydrophobicContact CD1-CD1 4.23Å; L84-Y234 HydrophobicContact CD2-CD1 3.94Å; L84-Y234 HydrophobicContact CD2-CE1 3.88Å; L84-Y234 HydrophobicContact CG-CD1 4.41Å; L201-Y234 HydrophobicContact CD2-CD2 3.69Å; L201-Y234 HydrophobicContact CD2-CE2 4.24Å; L201-Y234 HydrophobicContact CD2-CG 4.13Å; Y205-Y234 HydrophobicContact CE1-CE2 4.28Å; Y205-Y234 HydrophobicContact CE2-CD2 4.2Å; Y205-Y234 AromaticContact CE2-CE2 3.85Å; Y205-Y234 HydrophobicContact CE2-CE2 3.85Å; Y205-Y234 AromaticContact CZ-CE2 3.68Å; M210-Y234 HydrophobicContact CE-CE1 4.43Å; M210-Y234 HydrophobicContact CE-CE2 3.39Å; M210-Y234 WeakPolarHBondContact CE-OH 3.44Å; M210-Y234 HydrophobicContact SD-CE2 4.22Å; M210-Y234 PolarHBondContact SD-OH 3.25Å; F230-Y234 HydrophobicContact CE1-CD1 4.01Å; F230-Y234 HydrophobicContact CE1-CG 4.31Å; F230-Y234 VanDerWaalsContact O-CB 3.29Å; F230-Y234 WeakPolarHBondContact O-CB 3.49Å; F230-Y234 PolarHBondContact O-N 3.4Å; A231-Y234 PolarHBondContact O-N 2.89Å; Y234-C236 VanDerWaalsContact C-N 3.29Å; Y234-C236 PolarHBondContact O-N 2.73Å; Y234-L237 PolarHBondContact O-N 2.8Å; Y234-L238 HydrophobicContact CE1-CD1 4.45Å; Y234-L238 WeakPolarHBondContact O-CB 3.42Å; Y234-L238 PolarHBondContact O-N 2.93Å
235A94.9Very high94.4Very high0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-60-38.9174.400000112.3L77 L82 A231 V233 L238 K239 L254 L258L77-A235 HydrophobicContact CD2-CB 3.96Å; L82-A235 HydrophobicContact CD1-CB 4.13Å; L82-A235 HydrophobicContact CD2-CB 3.69Å; L82-A235 HydrophobicContact CG-CB 4.48Å; A231-A235 WeakPolarHBondContact O-CB 3.2Å; A231-A235 PolarHBondContact O-N 2.97Å; V233-A235 PolarHBondContact O-N 3.23Å; A235-L238 PolarHBondContact O-N 3.24Å; A235-K239 WeakPolarHBondContact O-CB 3.49Å; A235-K239 PolarHBondContact O-N 2.86Å; A235-L254 HydrophobicContact CB-CD1 4.24Å; A235-L254 HydrophobicContact CB-CD2 3.94Å; A235-L254 HydrophobicContact CB-CG 4.5Å; A235-L258 HydrophobicContact CB-CD1 4.15Å; A235-L258 HydrophobicContact CB-CD2 4.32Å
236C94.8Very high94.2Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-62.9-48.1175.6-176.70000112A232 V233 Y234 L238 K239 I240 F249 L251 L254 V279A232-C236 VanDerWaalsContact O-CB 3.24Å; A232-C236 WeakPolarHBondContact O-CB 3.32Å; A232-C236 PolarHBondContact O-N 3.32Å; A232-C236 VanDerWaalsContact O-N 3.08Å; V233-C236 WeakPolarHBondContact O-CB 3.24Å; V233-C236 PolarHBondContact O-N 3.18Å; Y234-C236 VanDerWaalsContact C-N 3.29Å; Y234-C236 PolarHBondContact O-N 2.73Å; C236-L238 VanDerWaalsContact C-N 3.32Å; C236-L238 PolarHBondContact O-N 3.02Å; C236-K239 WeakPolarHBondContact O-CB 3.32Å; C236-K239 PolarHBondContact O-N 3.37Å; C236-I240 WeakPolarHBondContact O-CG1 3.41Å; C236-I240 PolarHBondContact O-N 3.1Å; C236-F249 WeakPolarHBondContact SG-CB 3.22Å; C236-F249 WeakPolarHBondContact SG-CD2 3.41Å; C236-F249 WeakPolarHBondContact SG-CG 3.27Å; C236-L251 HydrophobicContact CB-CD1 3.69Å; C236-L254 HydrophobicContact CB-CD1 4.15Å; C236-V279 HydrophobicContact CB-CG2 4.03Å
237L93.6Very high93.7Very high0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-62.7-39.7176.9-62.2-175.9000111.9L201 Y205 V233 Y234 I240 R241 A282 L292 L294L201-L237 HydrophobicContact CD1-CD1 3.95Å; Y205-L237 HydrophobicContact CE2-CD1 4.38Å; V233-L237 HydrophobicContact CG1-CD1 4.31Å; V233-L237 HydrophobicContact CG1-CG 4.45Å; V233-L237 WeakPolarHBondContact O-CG 3.04Å; V233-L237 PolarHBondContact O-N 3.09Å; Y234-L237 PolarHBondContact O-N 2.8Å; L237-I240 HydrophobicContact CD2-CD1 4.33Å; L237-I240 PolarHBondContact O-N 2.62Å; L237-R241 VanDerWaalsContact O-CG 3.3Å; L237-R241 WeakPolarHBondContact O-CG 3.43Å; L237-R241 PolarHBondContact O-N 3.38Å; L237-A282 HydrophobicContact CD2-CB 3.83Å; L237-L292 HydrophobicContact CD1-CD1 4.08Å; L237-L292 HydrophobicContact CD1-CD2 4.5Å; L237-L294 HydrophobicContact CB-CD2 4.31Å; L237-L294 HydrophobicContact CD2-CD1 4.05Å; L237-L294 HydrophobicContact CD2-CD2 4.15Å
238L92.3Very high93.1Very high10 Ų1027.7 Ų27.75%0.05215%0.146CC..Hα-helixtrans-61.8-41173.3-84.1176.1000112.8L82 M210 Y234 A235 C236 R241 A242L82-L238 HydrophobicContact CB-CD1 3.86Å; L82-L238 HydrophobicContact CD1-CD1 3.73Å; L82-L238 HydrophobicContact CG-CD1 4.44Å; M210-L238 HydrophobicContact CE-CD1 4.11Å; M210-L238 HydrophobicContact CE-CD2 3.28Å; M210-L238 HydrophobicContact CE-CG 3.86Å; Y234-L238 HydrophobicContact CE1-CD1 4.45Å; Y234-L238 WeakPolarHBondContact O-CB 3.42Å; Y234-L238 PolarHBondContact O-N 2.93Å; A235-L238 PolarHBondContact O-N 3.24Å; C236-L238 VanDerWaalsContact C-N 3.32Å; C236-L238 PolarHBondContact O-N 3.02Å; L238-R241 PolarHBondContact O-N 2.81Å; L238-A242 WeakPolarHBondContact O-CB 3.04Å; L238-A242 PolarHBondContact O-N 3.25Å
239K93.3Very high92.4Very high69 Ų6928.3 Ų28.330%0.315%0.149SC..Hα-helixtrans-63.1-49.3176-176.9172174.4164.70111.5T80 A235 C236 R241 A242 T243 D248T80-K239 HydrophobicContact CG2-CB 4.16Å; A235-K239 WeakPolarHBondContact O-CB 3.49Å; A235-K239 PolarHBondContact O-N 2.86Å; C236-K239 WeakPolarHBondContact O-CB 3.32Å; C236-K239 PolarHBondContact O-N 3.37Å; K239-R241 PolarHBondContact O-N 3.47Å; K239-A242 PolarHBondContact O-N 3.41Å; K239-A242 VanDerWaalsContact O-N 3.07Å; K239-T243 PolarHBondContact O-N 2.64Å; K239-T243 PolarHBondContact O-OG1 2.93Å; K239-T243 VanDerWaalsContact O-OG1 3.12Å; K239-D248 WeakPolarHBondContact CD-O 3.18Å; K239-D248 VanDerWaalsContact CE-O 3.31Å; K239-D248 WeakPolarHBondContact CE-O 3.4Å; K239-D248 WeakPolarHBondContact CE-OD1 3.43Å; K239-D248 VanDerWaalsContact CE-OD2 3.22Å; K239-D248 WeakPolarHBondContact CE-OD2 3.2Å; K239-D248 WeakPolarHBondContact CG-O 3.5Å; K239-D248 IonicContact NZ-OD1 2.59Å
240I93Very high92.1Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-54.2-40.4175.8-71.2159.5000111.5C236 L237 N244 E245 L246 F249 V279 V283 L294 P295C236-I240 WeakPolarHBondContact O-CG1 3.41Å; C236-I240 PolarHBondContact O-N 3.1Å; L237-I240 HydrophobicContact CD2-CD1 4.33Å; L237-I240 PolarHBondContact O-N 2.62Å; I240-N244 VanDerWaalsContact O-CA 3.31Å; I240-N244 WeakPolarHBondContact O-CA 3.38Å; I240-N244 PolarHBondContact O-N 2.85Å; I240-E245 PolarHBondContact O-N 2.95Å; I240-L246 HydrophobicContact CG2-CD2 3.98Å; I240-F249 HydrophobicContact CD1-CD1 3.66Å; I240-F249 HydrophobicContact CD1-CE1 3.9Å; I240-F249 HydrophobicContact CG1-CD1 3.94Å; I240-V279 HydrophobicContact CD1-CG1 4.18Å; I240-V283 HydrophobicContact CD1-CG1 3.7Å; I240-L294 HydrophobicContact CB-CD2 4.36Å; I240-L294 HydrophobicContact CG2-CD2 3.89Å; I240-P295 HydrophobicContact CG2-CG 4.28Å
241R90.4Very high92Very high86 Ų8631.1 Ų31.133%0.32516%0.164SC..Hα-helixtrans-67.4-46.4176.2-72.4175.259.1144.9-6.7112.4L237 L238 K239 T243 N244 L292 G293 L294L237-R241 VanDerWaalsContact O-CG 3.3Å; L237-R241 WeakPolarHBondContact O-CG 3.43Å; L237-R241 PolarHBondContact O-N 3.38Å; L238-R241 PolarHBondContact O-N 2.81Å; K239-R241 PolarHBondContact O-N 3.47Å; R241-T243 VanDerWaalsContact C-N 3.26Å; R241-T243 PolarHBondContact O-N 3.28Å; R241-N244 PolarHBondContact O-N 2.95Å; R241-L292 WeakPolarHBondContact CD-O 3.47Å; R241-L292 PolarHBondContact NH1-O 3.24Å; R241-G293 WeakPolarHBondContact CG-O 3.44Å; R241-L294 HydrophobicContact CG-CD2 3.92Å
242A89.9Confident91.9Very high65 Ų6532.3 Ų32.354%0.53717%0.172SC..Hα-helixtrans-61.9-36.1-177.800000112L238 K239L238-A242 WeakPolarHBondContact O-CB 3.04Å; L238-A242 PolarHBondContact O-N 3.25Å; K239-A242 PolarHBondContact O-N 3.41Å; K239-A242 VanDerWaalsContact O-N 3.07Å
243T91.6Very high91.7Very high58 Ų5838 Ų3836%0.35620%0.198SC..Hα-helixtrans-96.3-8.9179.960.20000114K239 R241 E245 D248K239-T243 PolarHBondContact O-N 2.64Å; K239-T243 PolarHBondContact O-OG1 2.93Å; K239-T243 VanDerWaalsContact O-OG1 3.12Å; R241-T243 VanDerWaalsContact C-N 3.26Å; R241-T243 PolarHBondContact O-N 3.28Å; T243-E245 PolarHBondContact O-N 2.78Å; T243-D248 VanDerWaalsContact CB-OD2 3.26Å; T243-D248 WeakPolarHBondContact CB-OD2 3.4Å; T243-D248 WeakPolarHBondContact CG2-OD2 3.48Å; T243-D248 WeakPolarHBondContact OG1-CB 3.48Å; T243-D248 PolarHBondContact OG1-OD2 3.34Å
244N91Very high91.7Very high116 Ų11638.6 Ų38.662%0.6220%0.201SC*.THydrogen-bonded Turntrans5726.9-175.8-161.253.4000113.1I240 R241 P295I240-N244 VanDerWaalsContact O-CA 3.31Å; I240-N244 WeakPolarHBondContact O-CA 3.38Å; I240-N244 PolarHBondContact O-N 2.85Å; R241-N244 PolarHBondContact O-N 2.95Å; N244-P295 WeakPolarHBondContact OD1-CB 3.38Å
245E90.8Very high91.9Very high98 Ų9838.4 Ų38.446%0.45820%0.201SC..  trans-122.1110.9-178.4-72.7-172.7-16400110.2I240 T243 N247 D248I240-E245 PolarHBondContact O-N 2.95Å; T243-E245 PolarHBondContact O-N 2.78Å; E245-N247 PolarHBondContact O-N 2.81Å; E245-D248 HydrophobicContact CB-CB 3.72Å; E245-D248 PolarHBondContact O-N 2.96Å
246L91.1Very high92Very high10 Ų1038.9 Ų38.95%0.05220%0.204CC..THydrogen-bonded Turntrans-59.7-12.2-179.7-67.4175.2000114.6L3 I240 V283 L294 P295 P297L3-L246 HydrophobicContact CD1-CB 4Å; L3-L246 HydrophobicContact CD1-CD1 3.81Å; L3-L246 HydrophobicContact CD2-CB 3.67Å; L3-L246 WeakPolarHBondContact CD2-O 3.21Å; L3-L246 HydrophobicContact CG-CB 3.94Å; I240-L246 HydrophobicContact CG2-CD2 3.98Å; L246-V283 HydrophobicContact CB-CB 4.48Å; L246-V283 HydrophobicContact CD2-CB 4.16Å; L246-V283 HydrophobicContact CD2-CG1 4.18Å; L246-L294 HydrophobicContact CD2-CB 4.16Å; L246-P295 HydrophobicContact CD2-CB 4.43Å; L246-P295 HydrophobicContact CD2-CG 3.72Å; L246-P295 WeakPolarHBondContact CD2-O 3.48Å; L246-P295 HydrophobicContact CG-CB 4.42Å; L246-P295 HydrophobicContact CG-CG 3.91Å; L246-P297 HydrophobicContact CD1-CB 4.33Å; L246-P297 HydrophobicContact CD1-CG 3.91Å
247N86.2Confident92.1Very high19 Ų1942.8 Ų42.810%0.10222%0.222CC..THydrogen-bonded Turntrans-117.411.7-179.964.167.2000114.3M1 L3 I6 E245 F249M1-N247 VanDerWaalsContact C-CG 3.49Å; M1-N247 VanDerWaalsContact C-OD1 3.3Å; M1-N247 WeakPolarHBondContact CA-OD1 3.25Å; M1-N247 PolarHBondContact N-OD1 3.33Å; M1-N247 PolarHBondContact O-ND2 3.12Å; M1-N247 PolarHBondContact O-OD1 3.27Å; L3-N247 HydrophobicContact CD2-CB 4.36Å; L3-N247 PolarHBondContact N-ND2 3.39Å; I6-N247 HydrophobicContact CD1-CB 3.93Å; I6-N247 WeakPolarHBondContact CD1-O 3.45Å; I6-N247 HydrophobicContact CG1-CB 4.23Å; E245-N247 PolarHBondContact O-N 2.81Å; N247-F249 PolarHBondContact O-N 3.43Å
248D85.1Confident92.3Very high45 Ų4542.8 Ų42.824%0.24122%0.222CC..  trans-87.768.1176.9179.534000111.1K239 T243 E245K239-D248 WeakPolarHBondContact CD-O 3.18Å; K239-D248 VanDerWaalsContact CE-O 3.31Å; K239-D248 WeakPolarHBondContact CE-O 3.4Å; K239-D248 WeakPolarHBondContact CE-OD1 3.43Å; K239-D248 VanDerWaalsContact CE-OD2 3.22Å; K239-D248 WeakPolarHBondContact CE-OD2 3.2Å; K239-D248 WeakPolarHBondContact CG-O 3.5Å; K239-D248 IonicContact NZ-OD1 2.59Å; T243-D248 VanDerWaalsContact CB-OD2 3.26Å; T243-D248 WeakPolarHBondContact CB-OD2 3.4Å; T243-D248 WeakPolarHBondContact CG2-OD2 3.48Å; T243-D248 WeakPolarHBondContact OG1-CB 3.48Å; T243-D248 PolarHBondContact OG1-OD2 3.34Å; E245-D248 HydrophobicContact CB-CB 3.72Å; E245-D248 PolarHBondContact O-N 2.96Å
249F84.5Confident92.6Very high12 Ų1243.2 Ų43.25%0.05322%0.223CC..  trans-152.5144.1167.767.7-90.4000112.6I6 C236 I240 N247 L251 V279I6-F249 HydrophobicContact CB-CZ 4.39Å; I6-F249 HydrophobicContact CD1-CD1 3.33Å; I6-F249 HydrophobicContact CD1-CD2 3.98Å; I6-F249 HydrophobicContact CD1-CE1 3.13Å; I6-F249 HydrophobicContact CD1-CE2 3.79Å; I6-F249 HydrophobicContact CD1-CG 3.79Å; I6-F249 HydrophobicContact CD1-CZ 3.39Å; I6-F249 HydrophobicContact CG1-CE1 4.47Å; I6-F249 HydrophobicContact CG1-CZ 4.43Å; I6-F249 HydrophobicContact CG2-CE1 4.06Å; I6-F249 HydrophobicContact CG2-CE2 3.68Å; I6-F249 HydrophobicContact CG2-CZ 3.32Å; C236-F249 WeakPolarHBondContact SG-CB 3.22Å; C236-F249 WeakPolarHBondContact SG-CD2 3.41Å; C236-F249 WeakPolarHBondContact SG-CG 3.27Å; I240-F249 HydrophobicContact CD1-CD1 3.66Å; I240-F249 HydrophobicContact CD1-CE1 3.9Å; I240-F249 HydrophobicContact CG1-CD1 3.94Å; N247-F249 PolarHBondContact O-N 3.43Å; F249-L251 HydrophobicContact CD2-CB 4.41Å; F249-L251 HydrophobicContact CD2-CD1 3.85Å; F249-L251 HydrophobicContact CE2-CD1 4.19Å; F249-V279 HydrophobicContact CD1-CG1 4.22Å; F249-V279 HydrophobicContact CD2-CG1 4.43Å; F249-V279 HydrophobicContact CE1-CG1 3.48Å; F249-V279 VanDerWaalsContact CE1-CG1 3.48Å; F249-V279 HydrophobicContact CE2-CB 4.43Å; F249-V279 HydrophobicContact CE2-CG1 3.75Å; F249-V279 HydrophobicContact CZ-CB 4.16Å; F249-V279 HydrophobicContact CZ-CG1 3.19Å
250N91Very high92.8Very high62 Ų6243 Ų4333%0.33222%0.222SC..  trans-121.9101.2166.1-176.9-28.4000106.9P252 E253 L254N250-P252 VanDerWaalsContact OD1-CD 3.27Å; N250-P252 WeakPolarHBondContact OD1-CD 3.48Å; N250-E253 HydrophobicContact CB-CB 4.07Å; N250-E253 HydrophobicContact CB-CG 4.37Å; N250-E253 WeakPolarHBondContact CB-OE2 3.47Å; N250-E253 PolarHBondContact ND2-OE1 2.96Å; N250-E253 PolarHBondContact ND2-OE2 3.3Å; N250-E253 PolarHBondContact O-N 3.43Å; N250-E253 PolarHBondContact OD1-N 3.45Å; N250-L254 VanDerWaalsContact O-CB 3.26Å; N250-L254 WeakPolarHBondContact O-CB 3.4Å; N250-L254 PolarHBondContact O-N 2.82Å
251L93.3Very high93.1Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-63.9-43.6-169.9-137.769.5000113C236 F249 L254 V255 C275 W276 V279C236-L251 HydrophobicContact CB-CD1 3.69Å; F249-L251 HydrophobicContact CD2-CB 4.41Å; F249-L251 HydrophobicContact CD2-CD1 3.85Å; F249-L251 HydrophobicContact CE2-CD1 4.19Å; L251-L254 PolarHBondContact O-N 3.15Å; L251-V255 VanDerWaalsContact O-CG2 3.31Å; L251-V255 WeakPolarHBondContact O-CG2 3.49Å; L251-V255 PolarHBondContact O-N 2.83Å; L251-C275 HydrophobicContact CD2-CB 3.46Å; L251-C275 VanDerWaalsContact CD2-CB 3.46Å; L251-C275 HydrophobicContact CG-CB 4.46Å; L251-W276 HydrophobicContact CB-CD2 4.42Å; L251-W276 HydrophobicContact CB-CZ2 4.12Å; L251-W276 HydrophobicContact CD2-CB 4.23Å; L251-W276 HydrophobicContact CD2-CD2 4.2Å; L251-W276 HydrophobicContact CD2-CG 3.68Å; L251-V279 HydrophobicContact CD1-CG2 4.16Å
252P94.1Very high93.5Very high25 Ų2539.1 Ų39.116%0.16221%0.208CC..Hα-helixtrans-55.3-51.9171.9-29.436000113.9V22 I26 N250 L254 V255 V256 W276V22-P252 HydrophobicContact CG1-CB 4.25Å; V22-P252 HydrophobicContact CG1-CG 3.69Å; I26-P252 HydrophobicContact CD1-CB 3.96Å; I26-P252 HydrophobicContact CG1-CB 3.98Å; N250-P252 VanDerWaalsContact OD1-CD 3.27Å; N250-P252 WeakPolarHBondContact OD1-CD 3.48Å; P252-L254 VanDerWaalsContact C-N 3.31Å; P252-L254 PolarHBondContact O-N 3.37Å; P252-V255 PolarHBondContact O-N 3.47Å; P252-V256 WeakPolarHBondContact O-CG2 3.37Å; P252-V256 PolarHBondContact O-N 2.87Å; P252-W276 HydrophobicContact CG-CZ2 4.4Å
253E94.4Very high93.8Very high120 Ų12037 Ų3756%0.56119%0.187SC*.Hα-helixtrans-62.1-39.6178.4-73.7170.3-167.900111.6N250 V255 V256 E257N250-E253 HydrophobicContact CB-CB 4.07Å; N250-E253 HydrophobicContact CB-CG 4.37Å; N250-E253 WeakPolarHBondContact CB-OE2 3.47Å; N250-E253 PolarHBondContact ND2-OE1 2.96Å; N250-E253 PolarHBondContact ND2-OE2 3.3Å; N250-E253 PolarHBondContact O-N 3.43Å; N250-E253 PolarHBondContact OD1-N 3.45Å; E253-V255 VanDerWaalsContact C-N 3.35Å; E253-V255 PolarHBondContact O-N 2.85Å; E253-V256 WeakPolarHBondContact O-CB 3.45Å; E253-V256 PolarHBondContact O-N 3.12Å; E253-E257 WeakPolarHBondContact O-CG 3.35Å; E253-E257 PolarHBondContact O-N 3.44Å
254L96.2Very high94.1Very high11 Ų1135.6 Ų35.66%0.05818%0.183CC..Hα-helixtrans-62.2-41.6176.1-174.6150.7000111.6L77 A232 A235 C236 N250 L251 P252 V256 E257 L258L77-L254 HydrophobicContact CD2-CD1 3.86Å; L77-L254 HydrophobicContact CD2-CG 4.21Å; A232-L254 HydrophobicContact CB-CD2 4.32Å; A235-L254 HydrophobicContact CB-CD1 4.24Å; A235-L254 HydrophobicContact CB-CD2 3.94Å; A235-L254 HydrophobicContact CB-CG 4.5Å; C236-L254 HydrophobicContact CB-CD1 4.15Å; N250-L254 VanDerWaalsContact O-CB 3.26Å; N250-L254 WeakPolarHBondContact O-CB 3.4Å; N250-L254 PolarHBondContact O-N 2.82Å; L251-L254 PolarHBondContact O-N 3.15Å; P252-L254 VanDerWaalsContact C-N 3.31Å; P252-L254 PolarHBondContact O-N 3.37Å; L254-V256 VanDerWaalsContact C-N 3.33Å; L254-E257 PolarHBondContact O-N 3Å; L254-L258 HydrophobicContact CD2-CD1 3.57Å; L254-L258 HydrophobicContact CD2-CG 4Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 3.21Å
255V97.8Very high94.4Very high1 Ų130.1 Ų30.11%0.00615%0.154CC..Hα-helixtrans-64.2-40.1175.9173.10000110.8I26 A232 L251 P252 E253 L258 R259 V266 L272I26-V255 HydrophobicContact CD1-CB 4.37Å; I26-V255 HydrophobicContact CD1-CG1 4.43Å; I26-V255 HydrophobicContact CG2-CB 4.38Å; I26-V255 HydrophobicContact CG2-CG1 3.76Å; A232-V255 HydrophobicContact CB-CG2 3.84Å; L251-V255 VanDerWaalsContact O-CG2 3.31Å; L251-V255 WeakPolarHBondContact O-CG2 3.49Å; L251-V255 PolarHBondContact O-N 2.83Å; P252-V255 PolarHBondContact O-N 3.47Å; E253-V255 VanDerWaalsContact C-N 3.35Å; E253-V255 PolarHBondContact O-N 2.85Å; V255-L258 PolarHBondContact O-N 2.95Å; V255-R259 HydrophobicContact CG1-CG 4.36Å; V255-R259 WeakPolarHBondContact O-CB 3.25Å; V255-R259 VanDerWaalsContact O-CG 3.32Å; V255-R259 WeakPolarHBondContact O-CG 3.49Å; V255-R259 PolarHBondContact O-N 2.89Å; V255-V266 HydrophobicContact CG1-CB 4.33Å; V255-V266 HydrophobicContact CG1-CG2 4.21Å; V255-V266 HydrophobicContact CG2-CG2 4.09Å; V255-L272 HydrophobicContact CG2-CD1 4.39Å
256V97.6Very high94.7Very high10 Ų1025.5 Ų25.56%0.06113%0.133CC..Hα-helixtrans-59.2-45.3173.9172.70000110.7I26 D29 F33 P252 E253 L254 R259 K260I26-V256 HydrophobicContact CB-CG2 4.2Å; I26-V256 HydrophobicContact CG1-CG2 4.23Å; I26-V256 HydrophobicContact CG2-CG2 3.88Å; D29-V256 HydrophobicContact CB-CG1 4.07Å; D29-V256 HydrophobicContact CB-CG2 3.91Å; F33-V256 HydrophobicContact CE2-CG1 3.43Å; F33-V256 VanDerWaalsContact CE2-CG1 3.43Å; F33-V256 HydrophobicContact CZ-CG1 3.55Å; P252-V256 WeakPolarHBondContact O-CG2 3.37Å; P252-V256 PolarHBondContact O-N 2.87Å; E253-V256 WeakPolarHBondContact O-CB 3.45Å; E253-V256 PolarHBondContact O-N 3.12Å; L254-V256 VanDerWaalsContact C-N 3.33Å; V256-R259 WeakPolarHBondContact O-CB 3.16Å; V256-R259 PolarHBondContact O-N 3.4Å; V256-K260 PolarHBondContact O-N 2.6Å
257E97.3Very high95Very high81 Ų8128.2 Ų28.238%0.37915%0.145SC..Hα-helixtrans-61.7-45.2175.3-71.2-58125.500112.6L77 E253 L254 R259 K260L77-E257 HydrophobicContact CD1-CB 4.1Å; E253-E257 WeakPolarHBondContact O-CG 3.35Å; E253-E257 PolarHBondContact O-N 3.44Å; L254-E257 PolarHBondContact O-N 3Å; E257-R259 VanDerWaalsContact C-N 3.27Å; E257-R259 PolarHBondContact O-N 3.16Å; E257-K260 VanDerWaalsContact O-CB 3.28Å; E257-K260 WeakPolarHBondContact O-CB 3.38Å; E257-K260 WeakPolarHBondContact O-CG 3.39Å; E257-K260 PolarHBondContact O-N 2.83Å; E257-K260 VanDerWaalsContact O-N 3.12Å; E257-K260 WeakPolarHBondContact OE1-CE 3.45Å; E257-K260 IonicContact OE1-NZ 2.74Å; E257-K260 PolarHBondContact OE1-NZ 3.39Å; E257-K260 WeakPolarHBondContact OE2-CE 3.26Å; E257-K260 IonicContact OE2-NZ 3.38Å; E257-K260 PolarHBondContact OE2-NZ 3.39Å
258L98.2Very high95.4Very high1 Ų128.3 Ų28.31%0.00515%0.146CC..Hα-helixtrans-65-32.9176.6-66.3-179.6000112V75 L77 L82 A231 A232 A235 L254 V255 K260 C261 R262 L265V75-L258 HydrophobicContact CG1-CD2 3.79Å; L77-L258 HydrophobicContact CB-CD2 4.32Å; L82-L258 HydrophobicContact CD2-CD2 3.64Å; A231-L258 HydrophobicContact CB-CD1 4.24Å; A232-L258 HydrophobicContact CB-CD1 4.22Å; A235-L258 HydrophobicContact CB-CD1 4.15Å; A235-L258 HydrophobicContact CB-CD2 4.32Å; L254-L258 HydrophobicContact CD2-CD1 3.57Å; L254-L258 HydrophobicContact CD2-CG 4Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 3.21Å; V255-L258 PolarHBondContact O-N 2.95Å; L258-K260 PolarHBondContact O-N 2.73Å; L258-C261 WeakPolarHBondContact O-CB 3.25Å; L258-C261 PolarHBondContact O-N 2.92Å; L258-R262 PolarHBondContact O-N 2.9Å; L258-L265 HydrophobicContact CB-CD1 3.79Å; L258-L265 WeakPolarHBondContact O-CD1 3.33Å
259R98.1Very high95.9Very high18 Ų1826.8 Ų26.87%0.06814%0.139CC..Hα-helixtrans-67.1-11.7175.4-80.2-179.1173.9-158.73.3113.4S30 Y57 V255 V256 E257 C261 R262 L265 V266S30-R259 WeakPolarHBondContact OG-CD 3.12Å; Y57-R259 VanDerWaalsContact CE2-O 3.3Å; Y57-R259 WeakPolarHBondContact CE2-O 3.37Å; V255-R259 HydrophobicContact CG1-CG 4.36Å; V255-R259 WeakPolarHBondContact O-CB 3.25Å; V255-R259 VanDerWaalsContact O-CG 3.32Å; V255-R259 WeakPolarHBondContact O-CG 3.49Å; V255-R259 PolarHBondContact O-N 2.89Å; V256-R259 WeakPolarHBondContact O-CB 3.16Å; V256-R259 PolarHBondContact O-N 3.4Å; E257-R259 VanDerWaalsContact C-N 3.27Å; E257-R259 PolarHBondContact O-N 3.16Å; R259-C261 PolarHBondContact O-N 2.86Å; R259-R262 WeakPolarHBondContact CA-O 3.45Å; R259-L265 HydrophobicContact CG-CB 4Å; R259-L265 PolarHBondContact NE-O 2.83Å; R259-L265 PolarHBondContact NH2-O 2.87Å; R259-L265 VanDerWaalsContact NH2-O 3.09Å; R259-V266 PolarHBondContact NH2-O 3.01Å
260K97.8Very high96.5Very high65 Ų6531 Ų3128%0.28316%0.159SC..THydrogen-bonded Turntrans-68.2-24.2165.6-61175.5-179.5171.10112.8F33 H59 V256 E257 L258F33-K260 HydrophobicContact CD1-CG 4.33Å; F33-K260 HydrophobicContact CD2-CG 3.73Å; F33-K260 HydrophobicContact CE1-CD 4.38Å; F33-K260 HydrophobicContact CE1-CG 4.42Å; F33-K260 HydrophobicContact CE2-CD 4.43Å; F33-K260 HydrophobicContact CE2-CG 3.77Å; F33-K260 HydrophobicContact CG-CG 4.02Å; F33-K260 HydrophobicContact CZ-CD 4.32Å; F33-K260 HydrophobicContact CZ-CG 4.16Å; H59-K260 PolarHBondContact CE1-O 2.76Å; H59-K260 PolarHBondContact NE2-O 3.46Å; V256-K260 PolarHBondContact O-N 2.6Å; E257-K260 VanDerWaalsContact O-CB 3.28Å; E257-K260 WeakPolarHBondContact O-CB 3.38Å; E257-K260 WeakPolarHBondContact O-CG 3.39Å; E257-K260 PolarHBondContact O-N 2.83Å; E257-K260 VanDerWaalsContact O-N 3.12Å; E257-K260 WeakPolarHBondContact OE1-CE 3.45Å; E257-K260 IonicContact OE1-NZ 2.74Å; E257-K260 PolarHBondContact OE1-NZ 3.39Å; E257-K260 WeakPolarHBondContact OE2-CE 3.26Å; E257-K260 IonicContact OE2-NZ 3.38Å; E257-K260 PolarHBondContact OE2-NZ 3.39Å; L258-K260 PolarHBondContact O-N 2.73Å
261C98.3Very high96.7Very high4 Ų428.1 Ų28.13%0.02714%0.143CC..THydrogen-bonded Turntrans-92.6-35.5-177.5-64.50000113T60 N73 H74 V75 L258 R259T60-C261 HydrophobicContact CG2-CB 4.31Å; T60-C261 PolarHBondContact OG1-O 3.38Å; N73-C261 WeakPolarHBondContact CB-O 3.34Å; N73-C261 PolarHBondContact ND2-O 3.4Å; H74-C261 WeakPolarHBondContact O-CB 3.34Å; V75-C261 HydrophobicContact CB-CB 4.23Å; V75-C261 HydrophobicContact CG1-CB 4.26Å; V75-C261 HydrophobicContact CG2-CB 3.93Å; L258-C261 WeakPolarHBondContact O-CB 3.25Å; L258-C261 PolarHBondContact O-N 2.92Å; R259-C261 PolarHBondContact O-N 2.86Å
262R98.5Very high96.8Very high0 Ų028.1 Ų28.10%014%0.143CC..SBendtrans-150.5140.5177.8-174169176.181.5-1.5109.8Y57 N71 N73 V75 A222 G223 V224 L258 R259 L265Y57-R262 VanDerWaalsContact CE2-C 3.43Å; N71-R262 PolarHBondContact OD1-NH1 2.97Å; N71-R262 PolarHBondContact OD1-NH2 3Å; N73-R262 HydrophobicContact CB-CB 3.99Å; N73-R262 HydrophobicContact CB-CG 4.3Å; N73-R262 WeakPolarHBondContact OD1-CG 3.35Å; N73-R262 PolarHBondContact OD1-NH1 2.93Å; V75-R262 HydrophobicContact CG2-CB 4.28Å; A222-R262 PolarHBondContact O-NH2 3.08Å; A222-R262 VanDerWaalsContact O-NH2 3.1Å; G223-R262 PolarHBondContact O-NE 2.85Å; V224-R262 HydrophobicContact CG1-CG 4.27Å; L258-R262 PolarHBondContact O-N 2.9Å; R259-R262 WeakPolarHBondContact CA-O 3.45Å; R262-L265 HydrophobicContact CB-CD1 4.38Å; R262-L265 HydrophobicContact CB-CD2 4.09Å; R262-L265 HydrophobicContact CB-CG 4.29Å; R262-L265 HydrophobicContact CG-CD2 4.19Å; R262-L265 WeakPolarHBondContact O-CG 3.1Å
263M97.8Very high96.9Very high22 Ų2230.9 Ų30.911%0.10815%0.151CC..THydrogen-bonded Turntrans-62153.1-178.663.5175.857.500113.2E37 V54 L55 Y57 V224 L265E37-M263 HydrophobicContact CG-CE 3.83Å; E37-M263 WeakPolarHBondContact OE1-CE 3.35Å; V54-M263 HydrophobicContact CG1-SD 4.46Å; L55-M263 HydrophobicContact CB-CE 3.99Å; L55-M263 PolarHBondContact N-SD 3.25Å; L55-M263 WeakPolarHBondContact O-CE 3.5Å; L55-M263 VanDerWaalsContact O-SD 3.4Å; Y57-M263 HydrophobicContact CD1-CE 4.34Å; Y57-M263 HydrophobicContact CE1-CB 3.95Å; Y57-M263 HydrophobicContact CE1-CE 3.9Å; Y57-M263 HydrophobicContact CE2-CB 4.11Å; Y57-M263 WeakPolarHBondContact OH-CA 3.3Å; Y57-M263 VanDerWaalsContact OH-CB 3.29Å; Y57-M263 WeakPolarHBondContact OH-CB 3.42Å; V224-M263 WeakPolarHBondContact CG1-O 3.29Å; M263-L265 PolarHBondContact O-N 2.87Å
264G96.6Very high96.9Very high27 Ų2725.5 Ų25.528%0.27813%0.125SC..THydrogen-bonded Turntrans59.719.7161.900000115.9V266 Q267G264-V266 PolarHBondContact O-N 3.1Å; G264-Q267 VanDerWaalsContact O-CG 3.25Å; G264-Q267 WeakPolarHBondContact O-CG 3.4Å
265L98.4Very high96.9Very high2 Ų225 Ų251%0.0112%0.122CC..  trans-59.2132.5176.3-62.4-174.4000109.9L86 V224 L258 R259 R262 M263L86-L265 HydrophobicContact CD2-CD1 4.31Å; L86-L265 HydrophobicContact CD2-CD2 3.45Å; L86-L265 VanDerWaalsContact CD2-CD2 3.45Å; V224-L265 HydrophobicContact CB-CD2 4.45Å; V224-L265 HydrophobicContact CG1-CD2 4.43Å; V224-L265 WeakPolarHBondContact O-CA 3.48Å; L258-L265 HydrophobicContact CB-CD1 3.79Å; L258-L265 WeakPolarHBondContact O-CD1 3.33Å; R259-L265 HydrophobicContact CG-CB 4Å; R259-L265 PolarHBondContact NE-O 2.83Å; R259-L265 PolarHBondContact NH2-O 2.87Å; R259-L265 VanDerWaalsContact NH2-O 3.09Å; R262-L265 HydrophobicContact CB-CD1 4.38Å; R262-L265 HydrophobicContact CB-CD2 4.09Å; R262-L265 HydrophobicContact CB-CG 4.29Å; R262-L265 HydrophobicContact CG-CD2 4.19Å; R262-L265 WeakPolarHBondContact O-CG 3.1Å; M263-L265 PolarHBondContact O-N 2.87Å
266V97.4Very high96.8Very high1 Ų125.4 Ų25.41%0.00612%0.124CC..SBendtrans60.4103.4-167.5-171.90000109.6F23 V224 A232 V255 R259 G264 Q271 L272F23-V266 HydrophobicContact CE2-CG1 4.38Å; F23-V266 VanDerWaalsContact CE2-O 3.25Å; F23-V266 WeakPolarHBondContact CE2-O 3.22Å; F23-V266 WeakPolarHBondContact CZ-O 3.46Å; V224-V266 PolarHBondContact O-N 3.03Å; A232-V266 HydrophobicContact CB-CG2 4.21Å; V255-V266 HydrophobicContact CG1-CB 4.33Å; V255-V266 HydrophobicContact CG1-CG2 4.21Å; V255-V266 HydrophobicContact CG2-CG2 4.09Å; R259-V266 PolarHBondContact NH2-O 3.01Å; G264-V266 PolarHBondContact O-N 3.1Å; V266-Q271 HydrophobicContact CG1-CB 3.75Å; V266-L272 HydrophobicContact CG1-CB 3.94Å
267Q96.1Very high96.7Very high67 Ų6728.2 Ų28.231%0.31314%0.135SC..  trans-96.8-12-168.8-80.2-171.9-49.900114.7F23 V224 G264F23-Q267 VanDerWaalsContact CZ-O 3.31Å; F23-Q267 WeakPolarHBondContact CZ-O 3.3Å; V224-Q267 HydrophobicContact CG2-CG 4.14Å; V224-Q267 VanDerWaalsContact CG2-NE2 3.27Å; G264-Q267 VanDerWaalsContact O-CG 3.25Å; G264-Q267 WeakPolarHBondContact O-CG 3.4Å
268T95.7Very high96.6Very high20 Ų2024.4 Ų24.412%0.12312%0.117CC..SBendtrans-137.9155.4-178.976.10000112.3E270 Q271 L272T268-E270 WeakPolarHBondContact CB-OE2 3.38Å; T268-E270 PolarHBondContact O-N 3.48Å; T268-E270 PolarHBondContact OG1-N 2.79Å; T268-E270 PolarHBondContact OG1-OE2 2.78Å; T268-Q271 WeakPolarHBondContact O-CB 3.14Å; T268-Q271 PolarHBondContact O-N 3.49Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.36Å; T268-Q271 PolarHBondContact OG1-N 3.37Å; T268-Q271 VanDerWaalsContact OG1-N 3.09Å; T268-L272 PolarHBondContact O-N 3.26Å
269P95.9Very high96.4Very high13 Ų1324.3 Ų24.38%0.08412%0.117CC..Hα-helixtrans-56.7-33.7170.4-21.230000112.9W19 F23 L272 R273W19-P269 HydrophobicContact CB-CB 3.98Å; F23-P269 HydrophobicContact CB-CB 4.26Å; F23-P269 HydrophobicContact CB-CG 3.99Å; F23-P269 HydrophobicContact CD1-CG 4.22Å; F23-P269 HydrophobicContact CG-CG 4.03Å; P269-L272 PolarHBondContact O-N 2.65Å; P269-R273 WeakPolarHBondContact O-CB 3.42Å; P269-R273 PolarHBondContact O-N 3.13Å
270E95.3Very high96.3Very high101 Ų10124.6 Ų24.647%0.47212%0.12SC..Hα-helixtrans-65.3-42.2177.3-65.168.7-149.900111.2V190 T268 R273 Y274V190-E270 HydrophobicContact CG1-CB 4.41Å; T268-E270 WeakPolarHBondContact CB-OE2 3.38Å; T268-E270 PolarHBondContact O-N 3.48Å; T268-E270 PolarHBondContact OG1-N 2.79Å; T268-E270 PolarHBondContact OG1-OE2 2.78Å; E270-R273 PolarHBondContact O-N 2.99Å; E270-Y274 VanDerWaalsContact O-CB 3.29Å; E270-Y274 WeakPolarHBondContact O-CB 3.27Å; E270-Y274 PolarHBondContact O-N 3.18Å
271Q95.7Very high96.1Very high2 Ų224.8 Ų24.81%0.00912%0.124CC..Hα-helixtrans-63.8-43173.9-74.7174.34.500111.4V190 G225 V266 T268 Y274 C275V190-Q271 HydrophobicContact CG1-CG 4.11Å; G225-Q271 PolarHBondContact O-OE1 3.14Å; V266-Q271 HydrophobicContact CG1-CB 3.75Å; T268-Q271 WeakPolarHBondContact O-CB 3.14Å; T268-Q271 PolarHBondContact O-N 3.49Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.36Å; T268-Q271 PolarHBondContact OG1-N 3.37Å; T268-Q271 VanDerWaalsContact OG1-N 3.09Å; Q271-Y274 WeakPolarHBondContact O-CB 3.27Å; Q271-Y274 PolarHBondContact O-N 2.7Å; Q271-C275 PolarHBondContact O-N 3.29Å; Q271-C275 PolarHBondContact O-SG 3.34Å
272L96.1Very high95.9Very high0 Ų024.6 Ų24.60%012%0.123CC..Hα-helixtrans-60.5-49.7175.4178.564000111.2W19 V22 F23 I26 V255 V266 T268 P269 Y274 C275 W276W19-L272 HydrophobicContact CE3-CD2 4.25Å; W19-L272 HydrophobicContact CE3-CG 4.3Å; W19-L272 HydrophobicContact CZ3-CD2 4.38Å; W19-L272 HydrophobicContact CZ3-CG 4.15Å; V22-L272 HydrophobicContact CB-CD2 4.41Å; V22-L272 HydrophobicContact CG1-CD2 3.85Å; F23-L272 HydrophobicContact CB-CD2 4.42Å; F23-L272 HydrophobicContact CD2-CB 4.4Å; F23-L272 HydrophobicContact CD2-CD2 4.4Å; I26-L272 HydrophobicContact CD1-CD1 3.92Å; I26-L272 HydrophobicContact CD1-CD2 3.65Å; I26-L272 HydrophobicContact CD1-CG 4.43Å; V255-L272 HydrophobicContact CG2-CD1 4.39Å; V266-L272 HydrophobicContact CG1-CB 3.94Å; T268-L272 PolarHBondContact O-N 3.26Å; P269-L272 PolarHBondContact O-N 2.65Å; L272-Y274 PolarHBondContact O-N 2.74Å; L272-C275 WeakPolarHBondContact O-CB 3.19Å; L272-C275 PolarHBondContact O-N 3.3Å; L272-C275 VanDerWaalsContact O-N 3.16Å; L272-W276 PolarHBondContact O-N 3.46Å
273R95.5Very high95.6Very high83 Ų8324.9 Ų24.931%0.31313%0.125SC..Hα-helixtrans-55.1-40.7174.8177.3-177.4-174.3-130.67.3111.5F10 E14 W19 P269 E270 W276 K277F10-R273 HydrophobicContact CE2-CG 4.47Å; E14-R273 WeakPolarHBondContact OE1-CD 3.4Å; E14-R273 IonicContact OE1-CZ 2.72Å; E14-R273 IonicContact OE1-NE 3.65Å; E14-R273 PolarHBondContact OE1-NE 3.26Å; E14-R273 IonicContact OE1-NH2 2.72Å; E14-R273 PolarHBondContact OE1-NH2 2.87Å; E14-R273 IonicContact OE2-CZ 3.24Å; E14-R273 IonicContact OE2-NE 2.69Å; E14-R273 IonicContact OE2-NH2 2.86Å; E14-R273 PolarHBondContact OE2-NH2 2.94Å; W19-R273 HydrophobicContact CD2-CB 3.74Å; W19-R273 HydrophobicContact CD2-CG 4.14Å; W19-R273 HydrophobicContact CE3-CB 3.96Å; W19-R273 HydrophobicContact CG-CB 4.31Å; W19-R273 HydrophobicContact CH2-CB 4.16Å; W19-R273 HydrophobicContact CH2-CG 4.29Å; W19-R273 HydrophobicContact CZ2-CB 3.93Å; W19-R273 HydrophobicContact CZ2-CG 3.67Å; W19-R273 HydrophobicContact CZ3-CB 4.16Å; P269-R273 WeakPolarHBondContact O-CB 3.42Å; P269-R273 PolarHBondContact O-N 3.13Å; E270-R273 PolarHBondContact O-N 2.99Å; R273-W276 WeakPolarHBondContact O-CB 3.44Å; R273-W276 PolarHBondContact O-N 2.52Å; R273-K277 PolarHBondContact O-N 2.89Å; R273-K277 VanDerWaalsContact O-N 3.08Å
274Y95.6Very high95.3Very high6 Ų626.9 Ų26.92%0.02415%0.151CC..Hα-helixtrans-68.3-40.1178.6-176.8-92.4000112.4V190 P191 S193 T194 F197 T229 E270 Q271 L272 W276 K277 V278V190-Y274 HydrophobicContact CB-CD1 4.34Å; V190-Y274 HydrophobicContact CB-CD2 3.61Å; V190-Y274 HydrophobicContact CB-CE2 4.22Å; V190-Y274 HydrophobicContact CB-CG 3.67Å; V190-Y274 HydrophobicContact CG1-CD1 4.47Å; V190-Y274 HydrophobicContact CG1-CD2 4.27Å; V190-Y274 HydrophobicContact CG1-CG 3.86Å; V190-Y274 HydrophobicContact CG2-CD2 3.8Å; V190-Y274 HydrophobicContact CG2-CG 4.24Å; P191-Y274 HydrophobicContact CB-CE2 4.37Å; P191-Y274 HydrophobicContact CG-CE1 4.45Å; P191-Y274 WeakPolarHBondContact O-CE2 3.36Å; S193-Y274 PolarHBondContact O-OH 2.92Å; S193-Y274 VanDerWaalsContact O-OH 3.07Å; T194-Y274 HydrophobicContact CG2-CE2 4.22Å; F197-Y274 HydrophobicContact CD1-CE1 4.49Å; F197-Y274 AromaticContact CD2-CE1 3.6Å; F197-Y274 HydrophobicContact CD2-CE1 3.6Å; F197-Y274 AromaticContact CD2-CZ 3.85Å; F197-Y274 WeakPolarHBondContact CD2-OH 3.5Å; F197-Y274 HydrophobicContact CE1-CE1 4.24Å; F197-Y274 HydrophobicContact CE2-CD1 4.28Å; F197-Y274 AromaticContact CE2-CE1 3.3Å; F197-Y274 HydrophobicContact CE2-CE1 3.3Å; F197-Y274 AromaticContact CE2-CZ 3.87Å; F197-Y274 HydrophobicContact CG-CE1 4.11Å; F197-Y274 HydrophobicContact CZ-CD1 4.18Å; F197-Y274 AromaticContact CZ-CE1 3.53Å; F197-Y274 HydrophobicContact CZ-CE1 3.53Å; T229-Y274 HydrophobicContact CG2-CD1 4.01Å; E270-Y274 VanDerWaalsContact O-CB 3.29Å; E270-Y274 WeakPolarHBondContact O-CB 3.27Å; E270-Y274 PolarHBondContact O-N 3.18Å; Q271-Y274 WeakPolarHBondContact O-CB 3.27Å; Q271-Y274 PolarHBondContact O-N 2.7Å; L272-Y274 PolarHBondContact O-N 2.74Å; Y274-W276 PolarHBondContact O-N 3.37Å; Y274-K277 PolarHBondContact O-N 2.99Å; Y274-K277 VanDerWaalsContact O-N 3.11Å; Y274-V278 HydrophobicContact CD1-CG2 3.8Å; Y274-V278 HydrophobicContact CE1-CG2 3.29Å; Y274-V278 HydrophobicContact CE2-CG2 4.27Å; Y274-V278 HydrophobicContact CG-CG2 4.44Å; Y274-V278 WeakPolarHBondContact O-CG2 3.44Å; Y274-V278 PolarHBondContact O-N 3.12Å
275C96Very high95.1Very high0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-52.3-46.2170.9-63.30000111.1T229 V233 L251 Q271 L272 V278 V279T229-C275 WeakPolarHBondContact CG2-SG 3.28Å; V233-C275 HydrophobicContact CG2-CB 3.97Å; L251-C275 HydrophobicContact CD2-CB 3.46Å; L251-C275 VanDerWaalsContact CD2-CB 3.46Å; L251-C275 HydrophobicContact CG-CB 4.46Å; Q271-C275 PolarHBondContact O-N 3.29Å; Q271-C275 PolarHBondContact O-SG 3.34Å; L272-C275 WeakPolarHBondContact O-CB 3.19Å; L272-C275 PolarHBondContact O-N 3.3Å; L272-C275 VanDerWaalsContact O-N 3.16Å; C275-V278 PolarHBondContact O-N 2.97Å; C275-V279 WeakPolarHBondContact O-CG2 3.39Å; C275-V279 PolarHBondContact O-N 3.38Å
276W95Very high94.8Very high11 Ų1131.4 Ų31.44%0.04218%0.178CC..Hα-helixtrans-60.4-46.8177.1-83.284.4000112.6I6 F10 W19 L251 P252 L272 R273 Y274 V278 V279 L280I6-W276 HydrophobicContact CG2-CE3 4.17Å; I6-W276 HydrophobicContact CG2-CH2 4.42Å; I6-W276 HydrophobicContact CG2-CZ3 3.55Å; I6-W276 WeakPolarHBondContact O-CZ3 3.34Å; F10-W276 HydrophobicContact CB-CE3 3.76Å; F10-W276 HydrophobicContact CB-CZ3 4.01Å; F10-W276 HydrophobicContact CD2-CB 3.52Å; F10-W276 HydrophobicContact CD2-CD2 4.12Å; F10-W276 AromaticContact CD2-CE3 3.94Å; F10-W276 HydrophobicContact CD2-CE3 3.94Å; F10-W276 HydrophobicContact CD2-CG 4Å; F10-W276 HydrophobicContact CE2-CB 3.67Å; F10-W276 HydrophobicContact CG-CE3 4.31Å; W19-W276 HydrophobicContact CH2-CB 4.08Å; W19-W276 AromaticContact CH2-CD1 3.63Å; W19-W276 HydrophobicContact CH2-CD2 4.31Å; W19-W276 AromaticContact CH2-CG 3.76Å; W19-W276 HydrophobicContact CH2-CG 3.76Å; W19-W276 AromaticContact CZ3-CD1 3.6Å; W19-W276 HydrophobicContact CZ3-CG 4.2Å; W19-W276 AromaticContact CZ3-NE1 3.89Å; L251-W276 HydrophobicContact CB-CD2 4.42Å; L251-W276 HydrophobicContact CB-CZ2 4.12Å; L251-W276 HydrophobicContact CD2-CB 4.23Å; L251-W276 HydrophobicContact CD2-CD2 4.2Å; L251-W276 HydrophobicContact CD2-CG 3.68Å; P252-W276 HydrophobicContact CG-CZ2 4.4Å; L272-W276 PolarHBondContact O-N 3.46Å; R273-W276 WeakPolarHBondContact O-CB 3.44Å; R273-W276 PolarHBondContact O-N 2.52Å; Y274-W276 PolarHBondContact O-N 3.37Å; W276-V278 PolarHBondContact O-N 3.45Å; W276-V279 PolarHBondContact O-N 2.88Å; W276-L280 WeakPolarHBondContact O-CB 3.46Å; W276-L280 VanDerWaalsContact O-CG 3.28Å; W276-L280 WeakPolarHBondContact O-CG 3.28Å; W276-L280 PolarHBondContact O-N 2.82Å
277K95Very high94.7Very high69 Ų6936.4 Ų36.430%0.320%0.2SC..Hα-helixtrans-58.2-48177.8-71.6179.7175.3-175.40111.8F10 T194 R273 Y274 V279 L280 D281F10-K277 HydrophobicContact CE2-CG 4.12Å; F10-K277 HydrophobicContact CZ-CG 3.82Å; T194-K277 HydrophobicContact CG2-CB 3.87Å; R273-K277 PolarHBondContact O-N 2.89Å; R273-K277 VanDerWaalsContact O-N 3.08Å; Y274-K277 PolarHBondContact O-N 2.99Å; Y274-K277 VanDerWaalsContact O-N 3.11Å; K277-V279 VanDerWaalsContact C-N 3.34Å; K277-V279 PolarHBondContact O-N 3.41Å; K277-L280 PolarHBondContact O-N 3.42Å; K277-D281 WeakPolarHBondContact O-CB 2.98Å; K277-D281 VanDerWaalsContact O-CG 3.31Å; K277-D281 PolarHBondContact O-N 3.18Å
278V95.7Very high94.6Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-60.4-45.2-179.6178.70000111T194 F197 L198 V233 Y274 C275 W276 D281 A282T194-V278 HydrophobicContact CG2-CB 4.35Å; T194-V278 HydrophobicContact CG2-CG2 3.7Å; F197-V278 HydrophobicContact CB-CG1 4.2Å; F197-V278 HydrophobicContact CB-CG2 4.37Å; L198-V278 HydrophobicContact CD2-CG1 3.71Å; L198-V278 HydrophobicContact CG-CG1 4.02Å; V233-V278 HydrophobicContact CG1-CB 4.29Å; V233-V278 HydrophobicContact CG1-CG1 3.58Å; V233-V278 HydrophobicContact CG2-CB 4.08Å; V233-V278 HydrophobicContact CG2-CG1 4.2Å; Y274-V278 HydrophobicContact CD1-CG2 3.8Å; Y274-V278 HydrophobicContact CE1-CG2 3.29Å; Y274-V278 HydrophobicContact CE2-CG2 4.27Å; Y274-V278 HydrophobicContact CG-CG2 4.44Å; Y274-V278 WeakPolarHBondContact O-CG2 3.44Å; Y274-V278 PolarHBondContact O-N 3.12Å; C275-V278 PolarHBondContact O-N 2.97Å; W276-V278 PolarHBondContact O-N 3.45Å; V278-D281 PolarHBondContact O-N 3.48Å; V278-A282 WeakPolarHBondContact O-CB 3.27Å; V278-A282 PolarHBondContact O-N 2.96Å
279V95.1Very high94.5Very high0 Ų033.6 Ų33.60%018%0.184CC..Hα-helixtrans-66-44.2178.71780000111.1V233 C236 I240 F249 L251 C275 W276 K277 D281 A282 V283V233-V279 HydrophobicContact CG1-CG2 4.27Å; V233-V279 HydrophobicContact CG2-CG2 4.43Å; C236-V279 HydrophobicContact CB-CG2 4.03Å; I240-V279 HydrophobicContact CD1-CG1 4.18Å; F249-V279 HydrophobicContact CD1-CG1 4.22Å; F249-V279 HydrophobicContact CD2-CG1 4.43Å; F249-V279 HydrophobicContact CE1-CG1 3.48Å; F249-V279 VanDerWaalsContact CE1-CG1 3.48Å; F249-V279 HydrophobicContact CE2-CB 4.43Å; F249-V279 HydrophobicContact CE2-CG1 3.75Å; F249-V279 HydrophobicContact CZ-CB 4.16Å; F249-V279 HydrophobicContact CZ-CG1 3.19Å; L251-V279 HydrophobicContact CD1-CG2 4.16Å; C275-V279 WeakPolarHBondContact O-CG2 3.39Å; C275-V279 PolarHBondContact O-N 3.38Å; W276-V279 PolarHBondContact O-N 2.88Å; K277-V279 VanDerWaalsContact C-N 3.34Å; K277-V279 PolarHBondContact O-N 3.41Å; V279-D281 VanDerWaalsContact C-N 3.33Å; V279-D281 PolarHBondContact O-N 2.86Å; V279-A282 WeakPolarHBondContact O-CB 3.31Å; V279-A282 PolarHBondContact O-N 3.4Å; V279-V283 HydrophobicContact CG1-CG1 4.3Å; V279-V283 WeakPolarHBondContact O-CG1 3.25Å; V279-V283 WeakPolarHBondContact O-CG2 3.09Å; V279-V283 PolarHBondContact O-N 3.21Å
280L94Very high94.4Very high23 Ų2337 Ų3712%0.1221%0.206CC..Hα-helixtrans-60.4-41.9177.5-75.4175000112.2I6 F10 W276 K277 G284I6-L280 HydrophobicContact CG2-CD2 3.88Å; F10-L280 HydrophobicContact CB-CD1 3.77Å; F10-L280 HydrophobicContact CD1-CD1 3.68Å; F10-L280 HydrophobicContact CD2-CD1 3.86Å; F10-L280 HydrophobicContact CE1-CD1 4.22Å; F10-L280 HydrophobicContact CE2-CD1 4.37Å; F10-L280 HydrophobicContact CG-CD1 3.48Å; F10-L280 VanDerWaalsContact CG-CD1 3.48Å; W276-L280 WeakPolarHBondContact O-CB 3.46Å; W276-L280 VanDerWaalsContact O-CG 3.28Å; W276-L280 WeakPolarHBondContact O-CG 3.28Å; W276-L280 PolarHBondContact O-N 2.82Å; K277-L280 PolarHBondContact O-N 3.42Å; L280-G284 WeakPolarHBondContact O-CA 3.3Å; L280-G284 PolarHBondContact O-N 3.07Å
281D94.4Very high94.2Very high69 Ų6935.4 Ų35.437%0.36920%0.2SC..Hα-helixtrans-67.8-38.8176.2-70.4-16000111.3T194 L198 K277 V278 V279 S285T194-D281 VanDerWaalsContact CB-OD2 3.3Å; T194-D281 WeakPolarHBondContact CB-OD2 3.44Å; T194-D281 WeakPolarHBondContact CG2-OD2 3.49Å; T194-D281 PolarHBondContact OG1-OD2 3.37Å; L198-D281 HydrophobicContact CD1-CB 4.18Å; K277-D281 WeakPolarHBondContact O-CB 2.98Å; K277-D281 VanDerWaalsContact O-CG 3.31Å; K277-D281 PolarHBondContact O-N 3.18Å; V278-D281 PolarHBondContact O-N 3.48Å; V279-D281 VanDerWaalsContact C-N 3.33Å; V279-D281 PolarHBondContact O-N 2.86Å; D281-S285 WeakPolarHBondContact O-CB 3.47Å; D281-S285 PolarHBondContact O-N 3.34Å
282A94.4Very high94.1Very high0 Ų035.3 Ų35.30%020%0.2CC..Hα-helixtrans-61.6-50.2175.600000112.3L198 L237 V278 V279 R289 L292 L294L198-A282 HydrophobicContact CD2-CB 3.71Å; L237-A282 HydrophobicContact CD2-CB 3.83Å; V278-A282 WeakPolarHBondContact O-CB 3.27Å; V278-A282 PolarHBondContact O-N 2.96Å; V279-A282 WeakPolarHBondContact O-CB 3.31Å; V279-A282 PolarHBondContact O-N 3.4Å; A282-R289 VanDerWaalsContact O-CG 3.24Å; A282-R289 WeakPolarHBondContact O-CG 3.21Å; A282-L292 HydrophobicContact CB-CD1 3.84Å; A282-L294 HydrophobicContact CB-CD1 4.05Å
283V92.9Very high93.8Very high7 Ų737.2 Ų37.24%0.04222%0.22CC..Hα-helixtrans-77.9-20.9-178.3-55.60000113.1L3 I240 L246 V279 R289 L294L3-V283 HydrophobicContact CD2-CB 4.49Å; L3-V283 HydrophobicContact CD2-CG2 4.06Å; I240-V283 HydrophobicContact CD1-CG1 3.7Å; L246-V283 HydrophobicContact CB-CB 4.48Å; L246-V283 HydrophobicContact CD2-CB 4.16Å; L246-V283 HydrophobicContact CD2-CG1 4.18Å; V279-V283 HydrophobicContact CG1-CG1 4.3Å; V279-V283 WeakPolarHBondContact O-CG1 3.25Å; V279-V283 WeakPolarHBondContact O-CG2 3.09Å; V279-V283 PolarHBondContact O-N 3.21Å; V283-R289 WeakPolarHBondContact O-CD 3.41Å; V283-L294 HydrophobicContact CG1-CD1 4.41Å
284G91.3Very high93.6Very high64 Ų6433.8 Ų33.866%0.6621%0.208SC*.Hα-helixtrans-88.3-20.6178.600000114L280L280-G284 WeakPolarHBondContact O-CA 3.3Å; L280-G284 PolarHBondContact O-N 3.07Å
285S92.3Very high93.5Very high31 Ų3134.2 Ų34.222%0.21721%0.211CC..  trans-96.8121.4-170.1176.10000113.1D281 K287 W288 R289D281-S285 WeakPolarHBondContact O-CB 3.47Å; D281-S285 PolarHBondContact O-N 3.34Å; S285-K287 PolarHBondContact O-N 3.18Å; S285-K287 WeakPolarHBondContact OG-CB 3.17Å; S285-K287 PolarHBondContact OG-N 2.74Å; S285-W288 VanDerWaalsContact CB-CD1 3.49Å; S285-W288 PolarHBondContact O-N 2.9Å; S285-W288 VanDerWaalsContact OG-CD1 3.3Å; S285-W288 PolarHBondContact OG-N 3.45Å; S285-R289 VanDerWaalsContact O-CG 3.29Å; S285-R289 WeakPolarHBondContact O-CG 2.88Å; S285-R289 PolarHBondContact O-N 3.16Å; S285-R289 VanDerWaalsContact O-N 3.07Å
286S92.1Very high93.2Very high93 Ų9339.1 Ų39.165%0.6523%0.234SC*.THydrogen-bonded Turntrans-63.4-20.5169.954.30000113.4P290S286-P290 WeakPolarHBondContact O-CD 3.24Å
287K93.9Very high92.7Very high106 Ų10640.6 Ų40.646%0.46125%0.245SC..THydrogen-bonded Turntrans-71.5-46.9171.6173.3-167.2172.8-167.60110.9S285 L291S285-K287 PolarHBondContact O-N 3.18Å; S285-K287 WeakPolarHBondContact OG-CB 3.17Å; S285-K287 PolarHBondContact OG-N 2.74Å; K287-L291 WeakPolarHBondContact O-CD1 3.16Å
288W95Very high91.8Very high11 Ų1146.2 Ų46.24%0.04228%0.278CS..Hα-helixtrans-84.8-35.2-168.4-67127.7000113.7D195 L198 E199 A202 S285 L291 L292D195-W288 HydrophobicContact CB-CZ2 4.11Å; D195-W288 VanDerWaalsContact OD1-CZ2 3.23Å; D195-W288 WeakPolarHBondContact OD1-CZ2 3.44Å; D195-W288 PolarHBondContact OD1-NE1 3.02Å; L198-W288 HydrophobicContact CB-CD2 3.76Å; L198-W288 HydrophobicContact CB-CE3 3.84Å; L198-W288 HydrophobicContact CB-CG 4.4Å; L198-W288 HydrophobicContact CB-CH2 3.9Å; L198-W288 HydrophobicContact CB-CZ2 3.77Å; L198-W288 HydrophobicContact CB-CZ3 3.92Å; L198-W288 HydrophobicContact CD1-CD2 4.08Å; L198-W288 HydrophobicContact CD1-CG 3.96Å; L198-W288 HydrophobicContact CD1-CZ2 4.45Å; L198-W288 HydrophobicContact CG-CD2 4.43Å; E199-W288 HydrophobicContact CG-CH2 3.67Å; E199-W288 HydrophobicContact CG-CZ3 4.5Å; A202-W288 HydrophobicContact CB-CZ3 4.24Å; S285-W288 VanDerWaalsContact CB-CD1 3.49Å; S285-W288 PolarHBondContact O-N 2.9Å; S285-W288 VanDerWaalsContact OG-CD1 3.3Å; S285-W288 PolarHBondContact OG-N 3.45Å; W288-L291 HydrophobicContact CE3-CD1 3.86Å; W288-L291 HydrophobicContact CZ3-CD1 3.9Å; W288-L291 PolarHBondContact O-N 3.47Å; W288-L291 VanDerWaalsContact O-N 3.17Å; W288-L292 HydrophobicContact CB-CD1 4.02Å; W288-L292 WeakPolarHBondContact O-CB 3.34Å; W288-L292 VanDerWaalsContact O-CG 3.31Å; W288-L292 WeakPolarHBondContact O-CG 3.37Å; W288-L292 PolarHBondContact O-N 3.4Å
289R93.6Very high90.5Very high17 Ų1749.9 Ų49.96%0.06432%0.315CS..Hα-helixtrans-51.7-52.3-179-70.5-176.7-64.998.5-7.2114.1A282 V283 S285 L291 L292 G293 L294 P295 E296A282-R289 VanDerWaalsContact O-CG 3.24Å; A282-R289 WeakPolarHBondContact O-CG 3.21Å; V283-R289 WeakPolarHBondContact O-CD 3.41Å; S285-R289 VanDerWaalsContact O-CG 3.29Å; S285-R289 WeakPolarHBondContact O-CG 2.88Å; S285-R289 PolarHBondContact O-N 3.16Å; S285-R289 VanDerWaalsContact O-N 3.07Å; R289-L291 PolarHBondContact O-N 3.21Å; R289-L292 PolarHBondContact O-N 3.38Å; R289-G293 PolarHBondContact O-N 3.39Å; R289-L294 HydrophobicContact CB-CB 4.13Å; R289-L294 HydrophobicContact CG-CB 4.11Å; R289-L294 HydrophobicContact CG-CD1 4.28Å; R289-L294 PolarHBondContact O-N 3.15Å; R289-P295 PolarHBondContact NH1-O 2.82Å; R289-E296 IonicContact CZ-OE1 3.58Å; R289-E296 IonicContact CZ-OE2 2.67Å; R289-E296 VanDerWaalsContact CZ-OE2 3.24Å; R289-E296 IonicContact NH1-OE1 3.96Å; R289-E296 PolarHBondContact NH1-OE1 3.38Å; R289-E296 IonicContact NH1-OE2 2.82Å; R289-E296 PolarHBondContact NH1-OE2 3Å; R289-E296 IonicContact NH2-OE1 3.4Å; R289-E296 IonicContact NH2-OE2 2.74Å; R289-E296 PolarHBondContact NH2-OE2 3.26Å
290P92.4Very high88.6Confident83 Ų8352.7 Ų52.754%0.53934%0.335SS..Hα-helixtrans-64.7-38.9178.724-33.7000112.8S286 L292 G293S286-P290 WeakPolarHBondContact O-CD 3.24Å; P290-L292 PolarHBondContact O-N 2.99Å; P290-G293 PolarHBondContact O-N 2.78Å
291L92.6Very high86.2Confident68 Ų6860.9 Ų60.936%0.35637%0.37SS..Hα-helixtrans-67-25.9-179.8-64.8176000113.3A202 K287 W288 R289A202-L291 HydrophobicContact CB-CB 4.07Å; K287-L291 WeakPolarHBondContact O-CD1 3.16Å; W288-L291 HydrophobicContact CE3-CD1 3.86Å; W288-L291 HydrophobicContact CZ3-CD1 3.9Å; W288-L291 PolarHBondContact O-N 3.47Å; W288-L291 VanDerWaalsContact O-N 3.17Å; R289-L291 PolarHBondContact O-N 3.21Å
292L92.3Very high83.7Confident0 Ų064.1 Ų64.10%039%0.387CS..THydrogen-bonded Turntrans-102.60.9-179.5-59.9171.4000112.2L198 L201 A202 Y205 L237 R241 A282 W288 R289 P290 L294L198-L292 HydrophobicContact CD2-CD1 3.85Å; L201-L292 HydrophobicContact CB-CD2 3.8Å; A202-L292 HydrophobicContact CB-CD2 4.26Å; Y205-L292 HydrophobicContact CD2-CB 4.37Å; Y205-L292 HydrophobicContact CD2-CD2 3.47Å; Y205-L292 VanDerWaalsContact CD2-CD2 3.47Å; Y205-L292 HydrophobicContact CE2-CB 4.35Å; Y205-L292 HydrophobicContact CE2-CD2 3.75Å; L237-L292 HydrophobicContact CD1-CD1 4.08Å; L237-L292 HydrophobicContact CD1-CD2 4.5Å; R241-L292 WeakPolarHBondContact CD-O 3.47Å; R241-L292 PolarHBondContact NH1-O 3.24Å; A282-L292 HydrophobicContact CB-CD1 3.84Å; W288-L292 HydrophobicContact CB-CD1 4.02Å; W288-L292 WeakPolarHBondContact O-CB 3.34Å; W288-L292 VanDerWaalsContact O-CG 3.31Å; W288-L292 WeakPolarHBondContact O-CG 3.37Å; W288-L292 PolarHBondContact O-N 3.4Å; R289-L292 PolarHBondContact O-N 3.38Å; P290-L292 PolarHBondContact O-N 2.99Å; L292-L294 VanDerWaalsContact C-N 3.29Å; L292-L294 HydrophobicContact CB-CD1 4.1Å; L292-L294 HydrophobicContact CB-CG 3.88Å; L292-L294 HydrophobicContact CD1-CD1 4.21Å; L292-L294 PolarHBondContact O-N 2.62Å
293G90.1Very high81Confident41 Ų4171.3 Ų71.342%0.42343%0.431SS..THydrogen-bonded Turntrans63.629.6-176.600000114.1R241 R289 P290R241-G293 WeakPolarHBondContact CG-O 3.44Å; R289-G293 PolarHBondContact O-N 3.39Å; P290-G293 PolarHBondContact O-N 2.78Å
294L92.6Very high78.7Confident10 Ų1075 Ų755%0.05246%0.457CS..PPolyproline II helixtrans-83.7150.6178.5-56.5174.9000111.1L237 I240 R241 L246 A282 V283 R289 L292L237-L294 HydrophobicContact CB-CD2 4.31Å; L237-L294 HydrophobicContact CD2-CD1 4.05Å; L237-L294 HydrophobicContact CD2-CD2 4.15Å; I240-L294 HydrophobicContact CB-CD2 4.36Å; I240-L294 HydrophobicContact CG2-CD2 3.89Å; R241-L294 HydrophobicContact CG-CD2 3.92Å; L246-L294 HydrophobicContact CD2-CB 4.16Å; A282-L294 HydrophobicContact CB-CD1 4.05Å; V283-L294 HydrophobicContact CG1-CD1 4.41Å; R289-L294 HydrophobicContact CB-CB 4.13Å; R289-L294 HydrophobicContact CG-CB 4.11Å; R289-L294 HydrophobicContact CG-CD1 4.28Å; R289-L294 PolarHBondContact O-N 3.15Å; L292-L294 VanDerWaalsContact C-N 3.29Å; L292-L294 HydrophobicContact CB-CD1 4.1Å; L292-L294 HydrophobicContact CB-CG 3.88Å; L292-L294 HydrophobicContact CD1-CD1 4.21Å; L292-L294 PolarHBondContact O-N 2.62Å
295P92Very high76.3Confident16 Ų1678.8 Ų78.810%0.10446%0.462CS..PPolyproline II helixtrans-60.8157.5178.610.4-17.6000114.4I240 N244 L246 R289I240-P295 HydrophobicContact CG2-CG 4.28Å; N244-P295 WeakPolarHBondContact OD1-CB 3.38Å; L246-P295 HydrophobicContact CD2-CB 4.43Å; L246-P295 HydrophobicContact CD2-CG 3.72Å; L246-P295 WeakPolarHBondContact CD2-O 3.48Å; L246-P295 HydrophobicContact CG-CB 4.42Å; L246-P295 HydrophobicContact CG-CG 3.91Å; R289-P295 PolarHBondContact NH1-O 2.82Å
296E89.7Confident73.9Confident103 Ų10384.2 Ų84.248%0.48149%0.494SS..PPolyproline II helixtrans-75143.4164.3-70.3-62132.300111R289 L298R289-E296 IonicContact CZ-OE1 3.58Å; R289-E296 IonicContact CZ-OE2 2.67Å; R289-E296 VanDerWaalsContact CZ-OE2 3.24Å; R289-E296 IonicContact NH1-OE1 3.96Å; R289-E296 PolarHBondContact NH1-OE1 3.38Å; R289-E296 IonicContact NH1-OE2 2.82Å; R289-E296 PolarHBondContact NH1-OE2 3Å; R289-E296 IonicContact NH2-OE1 3.4Å; R289-E296 IonicContact NH2-OE2 2.74Å; R289-E296 PolarHBondContact NH2-OE2 3.26Å; E296-L298 PolarHBondContact O-N 3.27Å
297P85.2Confident71.3Confident41 Ų4184.7 Ų84.727%0.26650%0.503SS..PPolyproline II helixtrans-56.7137.1172.5-23.731.4000111.8L246 G299 S300L246-P297 HydrophobicContact CD1-CB 4.33Å; L246-P297 HydrophobicContact CD1-CG 3.91Å; P297-G299 PolarHBondContact O-N 3.25Å; P297-S300 WeakPolarHBondContact O-CB 3.39Å; P297-S300 PolarHBondContact O-N 3.08Å; P297-S300 PolarHBondContact O-OG 3.29Å
298L76.4Confident68.7Low188 Ų18884.2 Ų84.298%0.98452%0.519SS*.THydrogen-bonded Turntrans-57121.8172.2-69.3168.9000109.6E296E296-L298 PolarHBondContact O-N 3.27Å
299G67.9Low66.3Low77 Ų7789.7 Ų89.779%0.79455%0.554SS**THydrogen-bonded Turntrans107.2-3.2-178.100000115.5P297 K301P297-G299 PolarHBondContact O-N 3.25Å; G299-K301 PolarHBondContact O-N 3.37Å
300S56.4Low63.9Low58 Ų5896.6 Ų96.641%0.40659%0.592SS.*  trans-77.713.5175.958.50000115.1P297 N302P297-S300 WeakPolarHBondContact O-CB 3.39Å; P297-S300 PolarHBondContact O-N 3.08Å; P297-S300 PolarHBondContact O-OG 3.29Å; S300-N302 PolarHBondContact O-N 3.26Å
301K42.2Very low61.4Low196 Ų19696 Ų9685%0.85260%0.601SS**  trans-58.1118.1175.9-80.8-169.5176.6-175.50109.2G299 T303G299-K301 PolarHBondContact O-N 3.37Å; K301-T303 PolarHBondContact O-N 2.82Å; K301-T303 VanDerWaalsContact O-N 3.14Å
302N42.2Very low58.9Low136 Ų136101.7 Ų101.773%0.72763%0.626SS**  trans-41.7118.3175-75.9-24.2000110.6S300 S304S300-N302 PolarHBondContact O-N 3.26Å; N302-S304 PolarHBondContact O-N 2.75Å
303T38.1Very low56.5Low152 Ų152107.7 Ų107.793%0.93366%0.662SS**THydrogen-bonded Turntrans-67.574.1156.151.20000107.7K301K301-T303 PolarHBondContact O-N 2.82Å; K301-T303 VanDerWaalsContact O-N 3.14Å
304S44.7Very low54.2Low83 Ų83113.7 Ų113.758%0.5868%0.679SS**THydrogen-bonded Turntrans-136.9-6.2168.962.40000113.9N302N302-S304 PolarHBondContact O-N 2.75Å
305D41.1Very low51.8Low145 Ų145118.9 Ų118.978%0.77571%0.712SS**SBendtrans-116.627.6-172.9-67-11.4000114.8
306V41.7Very low49.4Very low145 Ų145124.1 Ų124.188%0.87975%0.749SS**  trans-138.776.9174.4-166.80000111.1
307A37.8Very low47.1Very low103 Ų103131 Ų13185%0.85177%0.77SS**  trans-176.286.3153.800000110.3
308A40Very low44.8Very low96 Ų96134.6 Ų134.679%0.79379%0.794SS**  trans-150.870.2164.500000110.1
309T43.1Very low43Very low126 Ų126132.7 Ų132.777%0.77379%0.79SS**  trans-167.6136.6152.737.90000108.7
310D42.8Very low41.5Very low162 Ų162138.9 Ų138.987%0.86680%0.795SS**  trans77.4117.6175.5-45.3-24.9000114
311G40.7Very low40.4Very low70 Ų70148.1 Ų148.172%0.72282%0.821SS**  cis128.2107.526.700000106.7
312E41.1Very low39.9Very low187 Ų187150.6 Ų150.687%0.87483%0.825SS**  trans49117.3153.5-66.4178.9179.700117.8
313T41.3Very low39.5Very low126 Ų126155.9 Ų155.977%0.77384%0.835SS**  172.4148.459.614.50000110.3
314E42Very low39.3Very low167 Ų167154.1 Ų154.178%0.7883%0.829SS**  trans69.1107.5145.7-69.4-167.7152.600125.2
315T41.2Very low38.6Very low119 Ų119159.1 Ų159.173%0.7384%0.843SS**  73111.8126.769.30000121.5
316S41.3Very low38.3Very low126 Ų126162 Ų16288%0.88185%0.849SS**  163.2162.5104.360.90000112.1
317R42.3Very low37.8Very low248 Ų248161.5 Ų161.594%0.93684%0.841SS**  trans-85.2170.5-144.4-98.6177.8170.6176.3-2.3117.5
318P36.9Very low37.4Very low117 Ų117165.1 Ų165.176%0.7685%0.846SS**  trans-104.1162.2-157.440-34.4000115.1
319T37.9Very low37Very low147 Ų147164.4 Ų164.490%0.90284%0.835SS**  trans-140.7127.6160.439.50000113.7
320K37Very low36.5Very low207 Ų207164.8 Ų164.890%0.983%0.832SS**  trans-49.2140.1176.9-66.6164.2172.9172.40114.6
321R33.7Very low35.9Very low252 Ų252163.7 Ų163.795%0.95183%0.831SS**  trans-150.9116.2138.6-113.6174.4173.4-171-3111.4
322R31.8Very low35.5Very low249 Ų249166.4 Ų166.494%0.9483%0.829SS**  trans-60133.5173.9-77170150.2178.1-8.7110.7
323R32.3Very low35.2Very low246 Ų246164.7 Ų164.793%0.92883%0.826SS**  trans-122.3125.3148.9-95.8-177.9171.6175-2.8107.6E325R323-E325 PolarHBondContact O-N 3.34Å
324S33.9Very low34.6Very low116 Ų116165.2 Ų165.281%0.81183%0.828SS**  trans-68.7112.4170.5490000108.9
325E31.8Very low34Very low188 Ų188163.4 Ų163.488%0.87982%0.823SS**  trans-76.7122158.3-74.5169160.300107R323R323-E325 PolarHBondContact O-N 3.34Å
326K34Very low33.5Very low205 Ų205165.1 Ų165.189%0.89183%0.827SS**  trans-93.5115.5161.7-102.6-174.6174.7-1760106.3N328K326-N328 PolarHBondContact O-N 3.21Å
327D30.6Very low33.1Very low135 Ų135163.9 Ų163.972%0.72283%0.825SS**  trans-35.9126.1165.8-75.8-51.6000112.8
328N29.2Very low32.5Very low178 Ų178156.9 Ų156.995%0.95281%0.814SS**  trans-115.167.5144.7-104.32000106.5K326K326-N328 PolarHBondContact O-N 3.21Å
329S33.1Very low32.1Very low82 Ų82156.6 Ų156.657%0.57382%0.815SS**  trans-74.6137.4167.1540000110.2
330N31.1Very low31.8Very low133 Ų133154.1 Ų154.171%0.71181%0.809SS**  trans71.489163.3-69.2-0.3000118.8
331V31.1Very low31.5Very low139 Ų139150.9 Ų150.984%0.84281%0.806SS**SBendtrans-129.653.3145.7-171.80000108.2
332L33Very low31.4Very low128 Ų128144.2 Ų144.267%0.6780%0.795SS**SBendtrans-145.8135.6169.2-67.3171.6000103.6
333D32.8Very low31.2Very low151 Ų151142.4 Ų142.481%0.80779%0.794SS**  trans93.761.6-177.8-47.3-22.5000117
334V29.1Very low31.3Very low137 Ų137138.7 Ų138.783%0.8379%0.791SS**SBendtrans-147.1136.2143.9-168.60000107
335I29.6Very low31.5Very low129 Ų129137.4 Ų137.466%0.66279%0.788SS**SBendtrans92.558.8-174.9-41.1161.5000113.6
336D30.5Very low31.6Very low154 Ų154136.4 Ų136.482%0.82479%0.788SS**  trans-143.176152.8-142.90.3000108.6
337A32.7Very low31.8Very low100 Ų100135.9 Ų135.983%0.82679%0.789SS**SBendtrans-168.448.817600000113.1
338S29.7Very low32.1Very low101 Ų101137 Ų13771%0.70680%0.795SS**  trans-166.253.8159.574.80000113
339S30.1Very low32.6Very low112 Ų112133.6 Ų133.678%0.78379%0.785SS**  trans-11763.7168.152.10000109.3
340A31.4Very low32.8Very low94 Ų94135.8 Ų135.878%0.77780%0.796SS**  trans-130.488.8169.200000108.6
341V29.9Very low33.4Very low139 Ų139136.3 Ų136.384%0.84280%0.798SS**  trans-106.7118.8156.5-178.90000106.1
342P31.1Very low33.9Very low112 Ų112133.6 Ų133.673%0.72779%0.786SS**  trans-70.3140.3-178-11.626.1000111.4
343K29.3Very low34.5Very low211 Ų211132.5 Ų132.592%0.91779%0.789SS**  trans-69.1128.3161.5-73.1178.2175.4177.60108.7
344I34.2Very low35.1Very low168 Ų168131.3 Ų131.386%0.86278%0.782SS**  trans-110.7126.7160.4-63.2178.1000106.9
345A36.9Very low36.1Very low89 Ų89133.1 Ų133.174%0.73678%0.779SS**  trans-83.5144.8-177.700000111.1
346D33.8Very low37.3Very low167 Ų167139.5 Ų139.589%0.89381%0.805SS**  trans-68.6126.4164.3-74.5-44.5000110.3
347E39.5Very low37.6Very low194 Ų194138.8 Ų138.891%0.90781%0.805SS**  trans-130.9121.4154.3-79.7-169.1166.600109.9
348N35.6Very low37.9Very low159 Ų159140.8 Ų140.885%0.8580%0.803SS**  trans-57.6142.7169.9-72.9-50.4000112.1
349S39.5Very low38.4Very low106 Ų106143.1 Ų143.174%0.74181%0.809SS**  173.8127.3116.550.70000111.6
350T38.9Very low38.8Very low129 Ų129144.9 Ų144.979%0.79181%0.81SS**  trans16.2134.4137.556.20000117.1
351D42.2Very low39.3Very low143 Ų143148.1 Ų148.177%0.76581%0.812SS**  -176.4150.668.6-154.3-12.2000112.8
352S42.6Very low39.9Very low83 Ų83148.7 Ų148.758%0.5881%0.81SS**  trans21.6138.9154.955.50000126.2
353S44.5Very low40.6Very low105 Ų105151.3 Ų151.373%0.73482%0.816SS**  trans74.5145.5133.975.30000117.6
354D47Very low41.4Very low126 Ų126146.7 Ų146.767%0.67481%0.809SS**  cis-170.8156.6-0.2-131.7-2.7000106.3
355K48.1Very low42Very low174 Ų174144.9 Ų144.976%0.75780%0.804SS**  trans69102.3152-62.3166-174.2171.80119.7
356H55.8Low42.5Very low264 Ų264150 Ų150100%1.22281%0.81SS**  -160.1093-116.2-38.6000112.8

Retrieved 356 of 356 residues in 550.2 ms (Link to these results)

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