A0A096N8T7_PAPAN Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A096N8T7, Species PAPAN (Papio anubis, Olive baboon), Gene STAT4, Length 748 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
1M61.1Low86.5Confident163 Ų16367.9 Ų67.980%0.80333%0.329SS*.  0128.80-165.2178.7-68.800106.4N5 Q6M1-N5 HydrophobicContact CG-CB 3.82Å; M1-N5 HydrophobicContact SD-CB 4.42Å; M1-Q6 HydrophobicContact SD-CG 4.31Å
2S83.5Confident85.6Confident16 Ų1672.8 Ų72.811%0.11236%0.356CS..  trans-60.4153.8179.947.30000110.9W4 N5 Q6 E39S2-W4 PolarHBondContact O-N 3.04Å; S2-N5 PolarHBondContact O-N 3.12Å; S2-N5 WeakPolarHBondContact OG-CB 3.43Å; S2-N5 PolarHBondContact OG-ND2 2.82Å; S2-N5 PolarHBondContact OG-OD1 3.26Å; S2-N5 VanDerWaalsContact OG-OD1 3.13Å; S2-Q6 PolarHBondContact O-N 3.22Å; S2-E39 VanDerWaalsContact CA-OE2 3.23Å; S2-E39 WeakPolarHBondContact CA-OE2 3.3Å; S2-E39 WeakPolarHBondContact CB-OE2 3.5Å
3Q91.1Very high84.6Confident32 Ų3274.1 Ų74.115%0.1536%0.358CS..Hα-helixtrans-56.6-42.2173.9-179176.1-48.100110.6N5 Q6 V7 E39 L109 E112 R113 L116Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 3.36Å; Q3-Q6 WeakPolarHBondContact O-CB 3.46Å; Q3-Q6 PolarHBondContact O-N 3.38Å; Q3-Q6 VanDerWaalsContact O-N 3.12Å; Q3-V7 WeakPolarHBondContact O-CG2 3.43Å; Q3-V7 PolarHBondContact O-N 3.1Å; Q3-E39 HydrophobicContact CB-CG 4.22Å; Q3-E39 PolarHBondContact N-OE1 3.02Å; Q3-E39 PolarHBondContact N-OE2 3.42Å; Q3-L109 PolarHBondContact NE2-O 3.15Å; Q3-E112 PolarHBondContact NE2-OE2 3.3Å; Q3-R113 VanDerWaalsContact OE1-CG 3.28Å; Q3-L116 HydrophobicContact CG-CD1 3.82Å
4W93.7Very high84.3Confident11 Ų1170.9 Ų70.94%0.04234%0.342CS..Hα-helixtrans-60.5-39.2178.5-164.2-115.8000113.4S2 Q6 V7 Q8 V18 Y22 M28 R31 H32 A35 E39 E112S2-W4 PolarHBondContact O-N 3.04Å; W4-Q6 VanDerWaalsContact C-N 3.25Å; W4-Q6 PolarHBondContact O-N 3.2Å; W4-V7 HydrophobicContact CE3-CB 4.3Å; W4-V7 HydrophobicContact CE3-CG1 4.33Å; W4-V7 HydrophobicContact CZ3-CG1 4.14Å; W4-V7 WeakPolarHBondContact O-CB 3.22Å; W4-V7 PolarHBondContact O-N 3.25Å; W4-Q8 VanDerWaalsContact NE1-NE2 3.18Å; W4-Q8 WeakPolarHBondContact O-CG 3.14Å; W4-Q8 PolarHBondContact O-N 2.76Å; W4-V18 HydrophobicContact CH2-CG1 4.27Å; W4-V18 HydrophobicContact CZ3-CG1 4.22Å; W4-Y22 HydrophobicContact CH2-CE2 4.16Å; W4-Y22 AromaticContact CZ3-CE2 3.92Å; W4-Y22 HydrophobicContact CZ3-CE2 3.92Å; W4-M28 HydrophobicContact CH2-CG 3.8Å; W4-M28 HydrophobicContact CH2-SD 4.15Å; W4-M28 HydrophobicContact CZ2-CG 3.93Å; W4-M28 HydrophobicContact CZ2-SD 4.27Å; W4-R31 HydrophobicContact CD2-CG 4.02Å; W4-R31 HydrophobicContact CE3-CG 3.63Å; W4-R31 HydrophobicContact CH2-CG 3.93Å; W4-R31 HydrophobicContact CZ2-CG 4.3Å; W4-R31 HydrophobicContact CZ3-CG 3.59Å; W4-H32 AromaticContact CD1-ND1 3.5Å; W4-H32 HydrophobicContact CZ2-CB 4.34Å; W4-H32 AromaticContact NE1-CG 3.68Å; W4-H32 AromaticContact NE1-ND1 2.96Å; W4-H32 PolarHBondContact NE1-ND1 3.16Å; W4-A35 HydrophobicContact CB-CB 3.76Å; W4-A35 HydrophobicContact CG-CB 4.13Å; W4-E39 PolarHBondContact N-OE1 3.3Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.33Å
5N90.8Very high84.3Confident68 Ų6870.3 Ų70.336%0.36434%0.341SS..Hα-helixtrans-65.8-32.8179-73.67.1000111.6M1 S2 Q3 Q9M1-N5 HydrophobicContact CG-CB 3.82Å; M1-N5 HydrophobicContact SD-CB 4.42Å; S2-N5 PolarHBondContact O-N 3.12Å; S2-N5 WeakPolarHBondContact OG-CB 3.43Å; S2-N5 PolarHBondContact OG-ND2 2.82Å; S2-N5 PolarHBondContact OG-OD1 3.26Å; S2-N5 VanDerWaalsContact OG-OD1 3.13Å; Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 3.36Å; N5-Q9 WeakPolarHBondContact O-CG 3.32Å
6Q91.2Very high83.9Confident75 Ų7571.1 Ų71.135%0.3534%0.344SS..Hα-helixtrans-70-41.4174.4-60.5174.326.100110.6M1 S2 Q3 W4 Q8 Q9 L116M1-Q6 HydrophobicContact SD-CG 4.31Å; S2-Q6 PolarHBondContact O-N 3.22Å; Q3-Q6 WeakPolarHBondContact O-CB 3.46Å; Q3-Q6 PolarHBondContact O-N 3.38Å; Q3-Q6 VanDerWaalsContact O-N 3.12Å; W4-Q6 VanDerWaalsContact C-N 3.25Å; W4-Q6 PolarHBondContact O-N 3.2Å; Q6-Q8 VanDerWaalsContact C-N 3.31Å; Q6-Q8 PolarHBondContact O-N 3Å; Q6-Q9 PolarHBondContact O-N 3.49Å; Q6-Q9 VanDerWaalsContact O-N 3.16Å; Q6-L116 HydrophobicContact CB-CD1 4.19Å; Q6-L116 HydrophobicContact CB-CD2 3.71Å
7V91.8Very high83.7Confident1 Ų170.8 Ų70.81%0.00634%0.342CS..Hα-helixtrans-58.9-44176.9172.60000111Q3 W4 Q9 L10 L15 V18 E112 L116Q3-V7 WeakPolarHBondContact O-CG2 3.43Å; Q3-V7 PolarHBondContact O-N 3.1Å; W4-V7 HydrophobicContact CE3-CB 4.3Å; W4-V7 HydrophobicContact CE3-CG1 4.33Å; W4-V7 HydrophobicContact CZ3-CG1 4.14Å; W4-V7 WeakPolarHBondContact O-CB 3.22Å; W4-V7 PolarHBondContact O-N 3.25Å; V7-Q9 PolarHBondContact O-N 3.24Å; V7-Q9 VanDerWaalsContact O-N 3.16Å; V7-L10 HydrophobicContact CG1-CD1 4.48Å; V7-L10 VanDerWaalsContact O-CB 3.29Å; V7-L10 WeakPolarHBondContact O-CB 3.32Å; V7-L10 VanDerWaalsContact O-CG 3.27Å; V7-L10 WeakPolarHBondContact O-CG 3.36Å; V7-L10 PolarHBondContact O-N 3.04Å; V7-L10 VanDerWaalsContact O-N 3.13Å; V7-L15 HydrophobicContact CG1-CD2 4.48Å; V7-L15 WeakPolarHBondContact O-CD2 3.46Å; V7-V18 HydrophobicContact CG1-CB 4.44Å; V7-V18 HydrophobicContact CG1-CG1 4.04Å; V7-V18 HydrophobicContact CG1-CG2 3.75Å; V7-E112 HydrophobicContact CG2-CB 4.15Å; V7-E112 HydrophobicContact CG2-CG 4.12Å; V7-L116 HydrophobicContact CG2-CD1 3.98Å; V7-L116 HydrophobicContact CG2-CD2 4.13Å; V7-L116 HydrophobicContact CG2-CG 4.03Å
8Q90.4Very high83.8Confident93 Ų9367.1 Ų67.144%0.43532%0.324SS..THydrogen-bonded Turntrans-65.3-16.5-179.8-70.5-177.1-41.300114.6W4 Q6 H32W4-Q8 VanDerWaalsContact NE1-NE2 3.18Å; W4-Q8 WeakPolarHBondContact O-CG 3.14Å; W4-Q8 PolarHBondContact O-N 2.76Å; Q6-Q8 VanDerWaalsContact C-N 3.31Å; Q6-Q8 PolarHBondContact O-N 3Å; Q8-H32 PolarHBondContact NE2-CE1 3.34Å; Q8-H32 VanDerWaalsContact NE2-CE1 3.33Å; Q8-H32 PolarHBondContact NE2-ND1 3.5Å
9Q90.3Very high83.8Confident144 Ų14469.1 Ų69.167%0.67334%0.336SS*.THydrogen-bonded Turntrans-92.2-1.1178.2-68.6176.2-1.500113.1N5 Q6 V7N5-Q9 WeakPolarHBondContact O-CG 3.32Å; Q6-Q9 PolarHBondContact O-N 3.49Å; Q6-Q9 VanDerWaalsContact O-N 3.16Å; V7-Q9 PolarHBondContact O-N 3.24Å; V7-Q9 VanDerWaalsContact O-N 3.16Å
10L87.6Confident83.7Confident26 Ų2673.4 Ų73.414%0.13636%0.356CS..SBendtrans-71.7156.1-179.7-65.6177.4000112.4V7 F14 L15 I115 L116 A119V7-L10 HydrophobicContact CG1-CD1 4.48Å; V7-L10 VanDerWaalsContact O-CB 3.29Å; V7-L10 WeakPolarHBondContact O-CB 3.32Å; V7-L10 VanDerWaalsContact O-CG 3.27Å; V7-L10 WeakPolarHBondContact O-CG 3.36Å; V7-L10 PolarHBondContact O-N 3.04Å; V7-L10 VanDerWaalsContact O-N 3.13Å; L10-F14 HydrophobicContact CB-CB 3.98Å; L10-F14 HydrophobicContact CD1-CB 3.94Å; L10-F14 HydrophobicContact CG-CB 4.49Å; L10-L15 HydrophobicContact CB-CD2 4.26Å; L10-L15 HydrophobicContact CB-CG 4.38Å; L10-L15 WeakPolarHBondContact O-CD1 3.43Å; L10-I115 HydrophobicContact CD1-CG2 3.76Å; L10-L116 HydrophobicContact CD1-CD2 4.02Å; L10-L116 HydrophobicContact CD2-CD2 4.13Å; L10-L116 HydrophobicContact CG-CD2 4.22Å; L10-A119 HydrophobicContact CD2-CB 3.42Å; L10-A119 VanDerWaalsContact CD2-CB 3.42Å
11E80.3Confident83.6Confident118 Ų11872.1 Ų72.155%0.55135%0.349SS*.  trans-60.9151.9169.9-63.1180177.600111.5K13 F14 L15E11-K13 HydrophobicContact CB-CG 4.3Å; E11-K13 PolarHBondContact O-N 2.65Å; E11-K13 WeakPolarHBondContact OE2-CE 3.24Å; E11-K13 IonicContact OE2-NZ 2.77Å; E11-K13 PolarHBondContact OE2-NZ 3.3Å; E11-F14 HydrophobicContact CB-CD2 4.22Å; E11-F14 PolarHBondContact O-N 2.92Å; E11-L15 PolarHBondContact O-N 3.48Å
12I75.3Confident85Confident126 Ų12665.4 Ų65.465%0.64632%0.315SS*.Hα-helixtrans-50-40.2-176.4-63.4170.8000112.3F14 L15 E16I12-F14 PolarHBondContact O-N 3.45Å; I12-L15 WeakPolarHBondContact O-CB 3.45Å; I12-L15 PolarHBondContact O-N 3.33Å; I12-L15 VanDerWaalsContact O-N 3.08Å; I12-E16 HydrophobicContact CG2-CG 4.39Å; I12-E16 PolarHBondContact O-N 3.06Å
13K73.1Confident85Confident90 Ų9068.4 Ų68.439%0.39133%0.33SS..Hα-helixtrans-59.1-29.1179.373.5-168-171.7-155.40114.4E11 Q17E11-K13 HydrophobicContact CB-CG 4.3Å; E11-K13 PolarHBondContact O-N 2.65Å; E11-K13 WeakPolarHBondContact OE2-CE 3.24Å; E11-K13 IonicContact OE2-NZ 2.77Å; E11-K13 PolarHBondContact OE2-NZ 3.3Å; K13-Q17 PolarHBondContact O-NE2 3.23Å
14F80.1Confident84.5Confident30 Ų3072.5 Ų72.513%0.13235%0.352CS..Hα-helixtrans-89.5-32.9175.8-65.6-67.8000111.2L10 E11 I12 E16 Q17 V18 I115 A119L10-F14 HydrophobicContact CB-CB 3.98Å; L10-F14 HydrophobicContact CD1-CB 3.94Å; L10-F14 HydrophobicContact CG-CB 4.49Å; E11-F14 HydrophobicContact CB-CD2 4.22Å; E11-F14 PolarHBondContact O-N 2.92Å; I12-F14 PolarHBondContact O-N 3.45Å; F14-E16 VanDerWaalsContact C-N 3.31Å; F14-E16 PolarHBondContact O-N 2.9Å; F14-Q17 WeakPolarHBondContact O-CB 3.48Å; F14-Q17 PolarHBondContact O-N 3.21Å; F14-Q17 VanDerWaalsContact O-N 3.13Å; F14-V18 WeakPolarHBondContact O-CG2 3.47Å; F14-V18 PolarHBondContact O-N 3.35Å; F14-I115 HydrophobicContact CB-CG2 3.92Å; F14-I115 HydrophobicContact CD1-CG2 4.04Å; F14-I115 HydrophobicContact CG-CG2 4.34Å; F14-A119 HydrophobicContact CD1-CB 4.33Å; F14-A119 HydrophobicContact CD2-CB 3.89Å; F14-A119 HydrophobicContact CE1-CB 4.16Å; F14-A119 HydrophobicContact CE2-CB 3.69Å; F14-A119 HydrophobicContact CG-CB 4.2Å; F14-A119 HydrophobicContact CZ-CB 3.85Å
15L84.3Confident84Confident62 Ų6274.8 Ų74.833%0.32537%0.366SS..Hα-helixtrans-62.5-37.5172.8-64.7176.2000111.8V7 L10 E11 I12 Q17 V18 D19V7-L15 HydrophobicContact CG1-CD2 4.48Å; V7-L15 WeakPolarHBondContact O-CD2 3.46Å; L10-L15 HydrophobicContact CB-CD2 4.26Å; L10-L15 HydrophobicContact CB-CG 4.38Å; L10-L15 WeakPolarHBondContact O-CD1 3.43Å; E11-L15 PolarHBondContact O-N 3.48Å; I12-L15 WeakPolarHBondContact O-CB 3.45Å; I12-L15 PolarHBondContact O-N 3.33Å; I12-L15 VanDerWaalsContact O-N 3.08Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 2.84Å; L15-V18 WeakPolarHBondContact O-CB 3.42Å; L15-V18 PolarHBondContact O-N 3.09Å; L15-V18 VanDerWaalsContact O-N 3.11Å; L15-D19 PolarHBondContact O-N 3.07Å
16E78.4Confident83.9Confident82 Ų8271.6 Ų71.638%0.38335%0.349SS..Hα-helixtrans-60.8-36.2172-73.9177.6-174.900112.4I12 F14 V18 D19 Q20 N253I12-E16 HydrophobicContact CG2-CG 4.39Å; I12-E16 PolarHBondContact O-N 3.06Å; F14-E16 VanDerWaalsContact C-N 3.31Å; F14-E16 PolarHBondContact O-N 2.9Å; E16-V18 VanDerWaalsContact C-N 3.33Å; E16-D19 PolarHBondContact O-N 3.23Å; E16-Q20 VanDerWaalsContact O-CG 3.32Å; E16-Q20 WeakPolarHBondContact O-CG 3.34Å; E16-Q20 PolarHBondContact O-N 3.41Å; E16-N253 PolarHBondContact OE2-ND2 3Å
17Q80.3Confident83.9Confident66 Ų6668.5 Ų68.531%0.30834%0.335SS..Hα-helixtrans-69.2-35174.3-68.4175.349.100111.6K13 F14 L15 F21 I115K13-Q17 PolarHBondContact O-NE2 3.23Å; F14-Q17 WeakPolarHBondContact O-CB 3.48Å; F14-Q17 PolarHBondContact O-N 3.21Å; F14-Q17 VanDerWaalsContact O-N 3.13Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 2.84Å; Q17-F21 WeakPolarHBondContact O-CD1 3.45Å; Q17-F21 WeakPolarHBondContact O-CE1 3.4Å; Q17-I115 HydrophobicContact CB-CD1 3.84Å
18V86.3Confident83.9Confident4 Ų471.2 Ų71.22%0.02435%0.348CS..Hα-helixtrans-63.6-46.5174.8175.70000110.5W4 V7 F14 L15 E16 Q20 F21 Y22 I115W4-V18 HydrophobicContact CH2-CG1 4.27Å; W4-V18 HydrophobicContact CZ3-CG1 4.22Å; V7-V18 HydrophobicContact CG1-CB 4.44Å; V7-V18 HydrophobicContact CG1-CG1 4.04Å; V7-V18 HydrophobicContact CG1-CG2 3.75Å; F14-V18 WeakPolarHBondContact O-CG2 3.47Å; F14-V18 PolarHBondContact O-N 3.35Å; L15-V18 WeakPolarHBondContact O-CB 3.42Å; L15-V18 PolarHBondContact O-N 3.09Å; L15-V18 VanDerWaalsContact O-N 3.11Å; E16-V18 VanDerWaalsContact C-N 3.33Å; V18-Q20 VanDerWaalsContact C-N 3.28Å; V18-Q20 PolarHBondContact O-N 3.27Å; V18-F21 VanDerWaalsContact CA-CE1 3.44Å; V18-F21 HydrophobicContact CB-CE1 4.32Å; V18-F21 HydrophobicContact CB-CZ 4.41Å; V18-F21 HydrophobicContact CG1-CZ 4.15Å; V18-F21 HydrophobicContact CG2-CE1 4.4Å; V18-F21 HydrophobicContact CG2-CZ 4.48Å; V18-F21 PolarHBondContact O-N 3.01Å; V18-Y22 HydrophobicContact CG1-CD2 3.82Å; V18-Y22 HydrophobicContact CG1-CE2 3.76Å; V18-Y22 VanDerWaalsContact O-CD2 3.31Å; V18-Y22 WeakPolarHBondContact O-CD2 3.5Å; V18-I115 HydrophobicContact CG2-CD1 3.77Å; V18-I115 HydrophobicContact CG2-CG2 4.38Å
19D83.7Confident83.9Confident105 Ų10569.7 Ų69.756%0.56134%0.341SS*.Hα-helixtrans-56.5-40.2178.8-169.263.2000112.7L15 E16 F21 Y22L15-D19 PolarHBondContact O-N 3.07Å; E16-D19 PolarHBondContact O-N 3.23Å; D19-F21 VanDerWaalsContact C-N 3.27Å; D19-F21 PolarHBondContact O-N 2.79Å; D19-F21 VanDerWaalsContact O-N 3.15Å; D19-Y22 PolarHBondContact O-N 3.09Å
20Q80.6Confident83.9Confident156 Ų15662.9 Ų62.973%0.72931%0.309SS*.THydrogen-bonded Turntrans-61.9-24.7-175.2-75.4170.62000115.7E16 V18E16-Q20 VanDerWaalsContact O-CG 3.32Å; E16-Q20 WeakPolarHBondContact O-CG 3.34Å; E16-Q20 PolarHBondContact O-N 3.41Å; V18-Q20 VanDerWaalsContact C-N 3.28Å; V18-Q20 PolarHBondContact O-N 3.27Å
21F83.1Confident84.2Confident47 Ų4761.7 Ų61.721%0.20630%0.303CS..THydrogen-bonded Turntrans-107.9-1.9-179.367.8-103.1000114.2Q17 V18 D19 C108 E111 E112 I115Q17-F21 WeakPolarHBondContact O-CD1 3.45Å; Q17-F21 WeakPolarHBondContact O-CE1 3.4Å; V18-F21 VanDerWaalsContact CA-CE1 3.44Å; V18-F21 HydrophobicContact CB-CE1 4.32Å; V18-F21 HydrophobicContact CB-CZ 4.41Å; V18-F21 HydrophobicContact CG1-CZ 4.15Å; V18-F21 HydrophobicContact CG2-CE1 4.4Å; V18-F21 HydrophobicContact CG2-CZ 4.48Å; V18-F21 PolarHBondContact O-N 3.01Å; D19-F21 VanDerWaalsContact C-N 3.27Å; D19-F21 PolarHBondContact O-N 2.79Å; D19-F21 VanDerWaalsContact O-N 3.15Å; F21-C108 HydrophobicContact CD2-CB 4.5Å; F21-C108 HydrophobicContact CE2-CB 4.27Å; F21-E111 HydrophobicContact CD1-CB 4.47Å; F21-E111 HydrophobicContact CD1-CG 3.7Å; F21-E111 HydrophobicContact CE1-CB 4.18Å; F21-E111 HydrophobicContact CE1-CG 3.6Å; F21-E111 HydrophobicContact CE2-CB 4.36Å; F21-E111 HydrophobicContact CG-CG 4.23Å; F21-E111 HydrophobicContact CZ-CB 4.15Å; F21-E111 HydrophobicContact CZ-CG 4.09Å; F21-E112 HydrophobicContact CE2-CG 4.36Å; F21-E112 HydrophobicContact CZ-CG 3.93Å; F21-I115 HydrophobicContact CE1-CD1 3.59Å; F21-I115 HydrophobicContact CZ-CD1 4.38Å
22Y89Confident84.8Confident21 Ų2160.6 Ų60.68%0.08230%0.298CS..  trans-91.4112.5169.6-83.2-71.9000109.5W4 V18 D19 F26 M28 R31 C108 E112W4-Y22 HydrophobicContact CH2-CE2 4.16Å; W4-Y22 AromaticContact CZ3-CE2 3.92Å; W4-Y22 HydrophobicContact CZ3-CE2 3.92Å; V18-Y22 HydrophobicContact CG1-CD2 3.82Å; V18-Y22 HydrophobicContact CG1-CE2 3.76Å; V18-Y22 VanDerWaalsContact O-CD2 3.31Å; V18-Y22 WeakPolarHBondContact O-CD2 3.5Å; D19-Y22 PolarHBondContact O-N 3.09Å; Y22-F26 HydrophobicContact CD1-CD1 4.22Å; Y22-F26 VanDerWaalsContact CD1-O 3.32Å; Y22-F26 WeakPolarHBondContact CD1-O 3.29Å; Y22-F26 AromaticContact CE1-CD1 3.62Å; Y22-F26 HydrophobicContact CE1-CD1 3.62Å; Y22-F26 AromaticContact CE1-CE1 3.87Å; Y22-F26 HydrophobicContact CE1-CE1 3.87Å; Y22-M28 HydrophobicContact CD1-CB 4.2Å; Y22-M28 HydrophobicContact CD2-CE 3.87Å; Y22-M28 HydrophobicContact CD2-CG 4.48Å; Y22-M28 HydrophobicContact CG-CB 4.11Å; Y22-M28 HydrophobicContact CG-CE 4.02Å; Y22-M28 HydrophobicContact CG-CG 4.29Å; Y22-R31 HydrophobicContact CD1-CB 4.5Å; Y22-R31 HydrophobicContact CE1-CB 3.71Å; Y22-R31 HydrophobicContact CE1-CG 3.81Å; Y22-R31 HydrophobicContact CE2-CG 4.5Å; Y22-R31 VanDerWaalsContact OH-CD 3.24Å; Y22-R31 WeakPolarHBondContact OH-CD 3.47Å; Y22-R31 VanDerWaalsContact OH-CG 3.26Å; Y22-R31 WeakPolarHBondContact OH-CG 3.47Å; Y22-R31 PolarHBondContact OH-NE 3.29Å; Y22-C108 HydrophobicContact CE1-CB 4.35Å; Y22-E112 PolarHBondContact OH-OE1 3.46Å
23D83.2Confident85.5Confident80 Ų8057 Ų5743%0.42828%0.279SS..  trans-133.7-170.1-176.170.54.9000111.9N25 F26D23-N25 PolarHBondContact O-N 3Å; D23-N25 WeakPolarHBondContact OD1-CA 3.48Å; D23-N25 WeakPolarHBondContact OD1-CB 3.31Å; D23-N25 PolarHBondContact OD1-N 2.94Å; D23-N25 PolarHBondContact OD1-ND2 3.45Å; D23-N25 PolarHBondContact OD2-ND2 3.29Å; D23-F26 CarbonylContact O-C 3.51Å; D23-F26 PolarHBondContact O-N 2.93Å; D23-F26 VanDerWaalsContact O-N 3.15Å; D23-F26 PolarHBondContact OD1-N 2.77Å
24D82.5Confident86.5Confident117 Ų11753 Ų5363%0.62626%0.262SS*.THydrogen-bonded Turntrans-64.1-8.5177.2-75.7-24.8000114.2K93D24-K93 PolarHBondContact O-NZ 3.5Å
25N83Confident87.1Confident60 Ų6052 Ų5232%0.32126%0.259SS..THydrogen-bonded Turntrans-81-37.3173.8-57.2-48.4000111.3D23 K93 F94D23-N25 PolarHBondContact O-N 3Å; D23-N25 WeakPolarHBondContact OD1-CA 3.48Å; D23-N25 WeakPolarHBondContact OD1-CB 3.31Å; D23-N25 PolarHBondContact OD1-N 2.94Å; D23-N25 PolarHBondContact OD1-ND2 3.45Å; D23-N25 PolarHBondContact OD2-ND2 3.29Å; N25-K93 PolarHBondContact OD1-NZ 3.44Å; N25-F94 WeakPolarHBondContact O-CE2 3.42Å; N25-F94 WeakPolarHBondContact O-CZ 3.49Å
26F88.3Confident87.4Confident1 Ų155.7 Ų55.70%0.00428%0.275CS..SBendtrans-141.793.8170.6-173.5-123.4000110.5Y22 D23 I30 R31 I38 V104 I105 C108Y22-F26 HydrophobicContact CD1-CD1 4.22Å; Y22-F26 VanDerWaalsContact CD1-O 3.32Å; Y22-F26 WeakPolarHBondContact CD1-O 3.29Å; Y22-F26 AromaticContact CE1-CD1 3.62Å; Y22-F26 HydrophobicContact CE1-CD1 3.62Å; Y22-F26 AromaticContact CE1-CE1 3.87Å; Y22-F26 HydrophobicContact CE1-CE1 3.87Å; D23-F26 CarbonylContact O-C 3.51Å; D23-F26 PolarHBondContact O-N 2.93Å; D23-F26 VanDerWaalsContact O-N 3.15Å; D23-F26 PolarHBondContact OD1-N 2.77Å; F26-I30 HydrophobicContact CE2-CB 4.31Å; F26-I30 HydrophobicContact CE2-CG2 4.07Å; F26-I30 HydrophobicContact CZ-CG2 4.49Å; F26-R31 HydrophobicContact CE1-CB 3.96Å; F26-R31 HydrophobicContact CZ-CB 4.3Å; F26-I38 HydrophobicContact CZ-CD1 3.94Å; F26-V104 HydrophobicContact CB-CG1 3.59Å; F26-V104 HydrophobicContact CG-CG1 4.42Å; F26-I105 HydrophobicContact CD1-CG1 4.39Å; F26-I105 HydrophobicContact CD2-CD1 4.24Å; F26-I105 HydrophobicContact CD2-CG1 3.82Å; F26-I105 HydrophobicContact CE1-CG1 4.21Å; F26-I105 HydrophobicContact CE2-CD1 3.75Å; F26-I105 HydrophobicContact CE2-CG1 3.62Å; F26-I105 HydrophobicContact CG-CG1 4.21Å; F26-I105 HydrophobicContact CZ-CD1 4.16Å; F26-I105 HydrophobicContact CZ-CG1 3.83Å; F26-I105 HydrophobicContact CZ-CG2 4.39Å; F26-C108 HydrophobicContact CD1-CB 4.24Å
27P89.8Confident88.2Confident10 Ų1054 Ų547%0.06527%0.265CS..  trans-62.5136.4-175.6-26.734.8000113.9E29 I30 R31 I86P27-E29 WeakPolarHBondContact CB-OE2 3.45Å; P27-E29 PolarHBondContact O-N 2.88Å; P27-I30 HydrophobicContact CB-CD1 4.42Å; P27-I30 HydrophobicContact CB-CG1 4.48Å; P27-I30 HydrophobicContact CG-CD1 4.28Å; P27-I30 PolarHBondContact O-N 3.32Å; P27-I30 VanDerWaalsContact O-N 3.08Å; P27-R31 PolarHBondContact O-N 3.43Å; P27-I86 HydrophobicContact CB-CD1 3.81Å; P27-I86 HydrophobicContact CB-CG1 4.1Å; P27-I86 HydrophobicContact CG-CD1 4.24Å; P27-I86 HydrophobicContact CG-CG1 3.96Å; P27-I86 HydrophobicContact CG-CG2 4.08Å
28M92Very high88.8Confident58 Ų5850.9 Ų50.929%0.28625%0.251SS..Hα-helixtrans-59.5-28.8-179.7-167.6-176.7-68.100112.6W4 Y22 I30 R31 H32W4-M28 HydrophobicContact CH2-CG 3.8Å; W4-M28 HydrophobicContact CH2-SD 4.15Å; W4-M28 HydrophobicContact CZ2-CG 3.93Å; W4-M28 HydrophobicContact CZ2-SD 4.27Å; Y22-M28 HydrophobicContact CD1-CB 4.2Å; Y22-M28 HydrophobicContact CD2-CE 3.87Å; Y22-M28 HydrophobicContact CD2-CG 4.48Å; Y22-M28 HydrophobicContact CG-CB 4.11Å; Y22-M28 HydrophobicContact CG-CE 4.02Å; Y22-M28 HydrophobicContact CG-CG 4.29Å; M28-I30 VanDerWaalsContact C-N 3.3Å; M28-I30 PolarHBondContact O-N 3.01Å; M28-R31 WeakPolarHBondContact O-CB 3.32Å; M28-R31 PolarHBondContact O-N 3.49Å; M28-H32 WeakPolarHBondContact O-CB 3.44Å; M28-H32 PolarHBondContact O-N 3.27Å
29E90.9Very high89.1Confident60 Ų6053 Ų5328%0.2826%0.26SS..Hα-helixtrans-62.2-37.8177.5-59.493.6145.300112P27 L33 I86P27-E29 WeakPolarHBondContact CB-OE2 3.45Å; P27-E29 PolarHBondContact O-N 2.88Å; E29-L33 WeakPolarHBondContact O-CB 3.44Å; E29-L33 VanDerWaalsContact O-CG 3.28Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 2.88Å; E29-I86 HydrophobicContact CB-CD1 4.04Å; E29-I86 HydrophobicContact CG-CD1 4.42Å
30I91.3Very high89.5Confident2 Ų254.1 Ų54.11%0.0127%0.266CS..Hα-helixtrans-68.9-46.3175.9-58.4171.9000109.5F26 P27 M28 H32 L33 L34 I38 L60 L64 I86 L90F26-I30 HydrophobicContact CE2-CB 4.31Å; F26-I30 HydrophobicContact CE2-CG2 4.07Å; F26-I30 HydrophobicContact CZ-CG2 4.49Å; P27-I30 HydrophobicContact CB-CD1 4.42Å; P27-I30 HydrophobicContact CB-CG1 4.48Å; P27-I30 HydrophobicContact CG-CD1 4.28Å; P27-I30 PolarHBondContact O-N 3.32Å; P27-I30 VanDerWaalsContact O-N 3.08Å; M28-I30 VanDerWaalsContact C-N 3.3Å; M28-I30 PolarHBondContact O-N 3.01Å; I30-H32 PolarHBondContact O-N 2.86Å; I30-L33 PolarHBondContact O-N 3.25Å; I30-L34 HydrophobicContact CG2-CD1 4Å; I30-L34 WeakPolarHBondContact O-CB 3.36Å; I30-L34 PolarHBondContact O-N 2.96Å; I30-I38 HydrophobicContact CG2-CD1 4.25Å; I30-L60 HydrophobicContact CG2-CD1 4.05Å; I30-L64 HydrophobicContact CD1-CD1 4.11Å; I30-L64 HydrophobicContact CG1-CD1 4.1Å; I30-I86 HydrophobicContact CD1-CG2 3.08Å; I30-I86 HydrophobicContact CG1-CG2 3.54Å; I30-L90 HydrophobicContact CD1-CD1 3.38Å; I30-L90 HydrophobicContact CD1-CD2 4.36Å; I30-L90 HydrophobicContact CD1-CG 4.01Å
31R93.2Very high90Very high0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-54.8-42.3177.2173.866.1-172.4104.3-8.9111.7W4 Y22 F26 P27 M28 A35 E39 E112W4-R31 HydrophobicContact CD2-CG 4.02Å; W4-R31 HydrophobicContact CE3-CG 3.63Å; W4-R31 HydrophobicContact CH2-CG 3.93Å; W4-R31 HydrophobicContact CZ2-CG 4.3Å; W4-R31 HydrophobicContact CZ3-CG 3.59Å; Y22-R31 HydrophobicContact CD1-CB 4.5Å; Y22-R31 HydrophobicContact CE1-CB 3.71Å; Y22-R31 HydrophobicContact CE1-CG 3.81Å; Y22-R31 HydrophobicContact CE2-CG 4.5Å; Y22-R31 VanDerWaalsContact OH-CD 3.24Å; Y22-R31 WeakPolarHBondContact OH-CD 3.47Å; Y22-R31 VanDerWaalsContact OH-CG 3.26Å; Y22-R31 WeakPolarHBondContact OH-CG 3.47Å; Y22-R31 PolarHBondContact OH-NE 3.29Å; F26-R31 HydrophobicContact CE1-CB 3.96Å; F26-R31 HydrophobicContact CZ-CB 4.3Å; P27-R31 PolarHBondContact O-N 3.43Å; M28-R31 WeakPolarHBondContact O-CB 3.32Å; M28-R31 PolarHBondContact O-N 3.49Å; R31-A35 VanDerWaalsContact O-CA 3.25Å; R31-A35 WeakPolarHBondContact O-CA 3.47Å; R31-A35 WeakPolarHBondContact O-CB 3.25Å; R31-A35 PolarHBondContact O-N 3.1Å; R31-E39 IonicContact CZ-OE1 2.81Å; R31-E39 IonicContact NH1-OE1 3.02Å; R31-E39 PolarHBondContact NH1-OE1 3.35Å; R31-E39 IonicContact NH2-OE1 2.85Å; R31-E39 PolarHBondContact NH2-OE1 2.82Å; R31-E112 IonicContact CZ-OE1 3.97Å; R31-E112 IonicContact CZ-OE2 3.9Å; R31-E112 IonicContact NE-OE1 2.69Å; R31-E112 PolarHBondContact NE-OE1 3.33Å; R31-E112 IonicContact NE-OE2 2.76Å; R31-E112 PolarHBondContact NE-OE2 2.98Å; R31-E112 IonicContact NH2-OE1 3.49Å; R31-E112 IonicContact NH2-OE2 3.37Å; R31-E112 PolarHBondContact NH2-OE2 3Å
32H92.3Very high90.2Very high95 Ų9550.5 Ų50.544%0.4425%0.252SS..Hα-helixtrans-71.7-49.8-179.1-178.645.4000112.3W4 Q8 M28 I30W4-H32 AromaticContact CD1-ND1 3.5Å; W4-H32 HydrophobicContact CZ2-CB 4.34Å; W4-H32 AromaticContact NE1-CG 3.68Å; W4-H32 AromaticContact NE1-ND1 2.96Å; W4-H32 PolarHBondContact NE1-ND1 3.16Å; Q8-H32 PolarHBondContact NE2-CE1 3.34Å; Q8-H32 VanDerWaalsContact NE2-CE1 3.33Å; Q8-H32 PolarHBondContact NE2-ND1 3.5Å; M28-H32 WeakPolarHBondContact O-CB 3.44Å; M28-H32 PolarHBondContact O-N 3.27Å; I30-H32 PolarHBondContact O-N 2.86Å
33L90.6Very high90.2Very high50 Ų5049.8 Ų49.826%0.26225%0.25SC..Hα-helixtrans-74.1-33.7-174.4-69.2170.7000113.4E29 I30 L79 L83E29-L33 WeakPolarHBondContact O-CB 3.44Å; E29-L33 VanDerWaalsContact O-CG 3.28Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 2.88Å; I30-L33 PolarHBondContact O-N 3.25Å; L33-L79 HydrophobicContact CD1-CD1 4.36Å; L33-L79 HydrophobicContact CD1-CD2 4.49Å; L33-L83 HydrophobicContact CD1-CD1 4.09Å; L33-L83 HydrophobicContact CD1-CD2 3.83Å; L33-L83 HydrophobicContact CD1-CG 4.4Å
34L92.9Very high90.3Very high7 Ų749.3 Ų49.34%0.03725%0.245CC..THydrogen-bonded Turntrans-106.220.4-177.5-61.2-177.3000112.6I30 Q36 W37 I38 L60 Q63 Q67I30-L34 HydrophobicContact CG2-CD1 4Å; I30-L34 WeakPolarHBondContact O-CB 3.36Å; I30-L34 PolarHBondContact O-N 2.96Å; L34-Q36 PolarHBondContact O-N 2.89Å; L34-W37 PolarHBondContact O-N 3.15Å; L34-I38 HydrophobicContact CB-CD1 3.72Å; L34-I38 HydrophobicContact CB-CG1 4.03Å; L34-I38 WeakPolarHBondContact O-CG1 3.31Å; L34-I38 PolarHBondContact O-N 3.42Å; L34-L60 HydrophobicContact CD1-CD1 3.72Å; L34-Q63 HydrophobicContact CD1-CB 3.82Å; L34-Q63 HydrophobicContact CD2-CB 3.91Å; L34-Q67 HydrophobicContact CD2-CG 3.48Å; L34-Q67 VanDerWaalsContact CD2-CG 3.48Å; L34-Q67 HydrophobicContact CG-CG 4.4Å
35A93.3Very high90.4Very high8 Ų844.5 Ų44.57%0.06622%0.221CC..Hα-helixtrans-50.2-52.9-17000000113.9W4 R31 W37 I38 E39W4-A35 HydrophobicContact CB-CB 3.76Å; W4-A35 HydrophobicContact CG-CB 4.13Å; R31-A35 VanDerWaalsContact O-CA 3.25Å; R31-A35 WeakPolarHBondContact O-CA 3.47Å; R31-A35 WeakPolarHBondContact O-CB 3.25Å; R31-A35 PolarHBondContact O-N 3.1Å; A35-W37 VanDerWaalsContact C-N 3.35Å; A35-W37 PolarHBondContact O-N 3.24Å; A35-I38 PolarHBondContact O-N 3.38Å; A35-E39 WeakPolarHBondContact O-CB 3.39Å; A35-E39 WeakPolarHBondContact O-CG 2.95Å; A35-E39 PolarHBondContact O-N 3.31Å
36Q91.1Very high90.6Very high141 Ų14141.6 Ų41.666%0.65921%0.206SC*.Hα-helixtrans-63.4-39.8-179.7-72179.1-1000112.6L34 N40L34-Q36 PolarHBondContact O-N 2.89Å; Q36-N40 PolarHBondContact O-N 3.01Å; Q36-N40 PolarHBondContact O-ND2 3.41Å; Q36-N40 VanDerWaalsContact O-ND2 3.08Å
37W94Very high90.6Very high47 Ų4742.6 Ų42.618%0.17821%0.213CC..Hα-helixtrans-68.3-46.2-179.4-179.684.8000110.9L34 A35 E39 N40 Q41 W43 N59 L60 Q63L34-W37 PolarHBondContact O-N 3.15Å; A35-W37 VanDerWaalsContact C-N 3.35Å; A35-W37 PolarHBondContact O-N 3.24Å; W37-E39 PolarHBondContact O-N 3.27Å; W37-N40 PolarHBondContact O-N 2.89Å; W37-Q41 HydrophobicContact CD2-CG 4.35Å; W37-Q41 HydrophobicContact CE3-CG 4.42Å; W37-Q41 HydrophobicContact CH2-CG 4.04Å; W37-Q41 HydrophobicContact CZ2-CG 3.95Å; W37-Q41 HydrophobicContact CZ3-CG 4.28Å; W37-Q41 WeakPolarHBondContact O-CG 3.3Å; W37-Q41 PolarHBondContact O-NE2 3.25Å; W37-W43 HydrophobicContact CH2-CH2 4.02Å; W37-W43 HydrophobicContact CH2-CZ2 4.04Å; W37-W43 AromaticContact CZ3-CH2 3.93Å; W37-W43 HydrophobicContact CZ3-CH2 3.93Å; W37-W43 AromaticContact CZ3-CZ2 3.65Å; W37-W43 HydrophobicContact CZ3-CZ2 3.65Å; W37-N59 HydrophobicContact CH2-CB 4.13Å; W37-N59 HydrophobicContact CZ2-CB 3.61Å; W37-L60 HydrophobicContact CE3-CD1 4.19Å; W37-L60 HydrophobicContact CH2-CB 3.82Å; W37-L60 HydrophobicContact CH2-CD1 4.49Å; W37-L60 HydrophobicContact CZ3-CB 3.79Å; W37-L60 HydrophobicContact CZ3-CD1 3.61Å; W37-L60 HydrophobicContact CZ3-CG 4.29Å; W37-Q63 HydrophobicContact CD2-CG 3.87Å; W37-Q63 HydrophobicContact CE3-CG 4.47Å; W37-Q63 HydrophobicContact CG-CG 3.99Å; W37-Q63 HydrophobicContact CZ2-CG 4.45Å
38I94.1Very high90.2Very high0 Ų048.6 Ų48.60%024%0.244CC..Hα-helixtrans-59.4-47.8179-69.2162.7000110.5F26 I30 L34 A35 N40 Q41 W43 I105 L109F26-I38 HydrophobicContact CZ-CD1 3.94Å; I30-I38 HydrophobicContact CG2-CD1 4.25Å; L34-I38 HydrophobicContact CB-CD1 3.72Å; L34-I38 HydrophobicContact CB-CG1 4.03Å; L34-I38 WeakPolarHBondContact O-CG1 3.31Å; L34-I38 PolarHBondContact O-N 3.42Å; A35-I38 PolarHBondContact O-N 3.38Å; I38-N40 PolarHBondContact O-N 3Å; I38-Q41 PolarHBondContact O-N 3.14Å; I38-W43 PolarHBondContact O-NE1 2.92Å; I38-I105 HydrophobicContact CG2-CG2 3.72Å; I38-L109 HydrophobicContact CG2-CD1 4Å; I38-L109 HydrophobicContact CG2-CD2 4.22Å; I38-L109 HydrophobicContact CG2-CG 4.42Å
39E92.9Very high90Very high47 Ų4749.1 Ų49.122%0.2225%0.248CC..Hα-helixtrans-64.8-22.5-177.7-71.5167-154.500113.4S2 Q3 W4 R31 A35 W37 L109S2-E39 VanDerWaalsContact CA-OE2 3.23Å; S2-E39 WeakPolarHBondContact CA-OE2 3.3Å; S2-E39 WeakPolarHBondContact CB-OE2 3.5Å; Q3-E39 HydrophobicContact CB-CG 4.22Å; Q3-E39 PolarHBondContact N-OE1 3.02Å; Q3-E39 PolarHBondContact N-OE2 3.42Å; W4-E39 PolarHBondContact N-OE1 3.3Å; R31-E39 IonicContact CZ-OE1 2.81Å; R31-E39 IonicContact NH1-OE1 3.02Å; R31-E39 PolarHBondContact NH1-OE1 3.35Å; R31-E39 IonicContact NH2-OE1 2.85Å; R31-E39 PolarHBondContact NH2-OE1 2.82Å; A35-E39 WeakPolarHBondContact O-CB 3.39Å; A35-E39 WeakPolarHBondContact O-CG 2.95Å; A35-E39 PolarHBondContact O-N 3.31Å; W37-E39 PolarHBondContact O-N 3.27Å; E39-L109 HydrophobicContact CG-CD2 4.29Å
40N91.4Very high89.9Confident130 Ų13052.5 Ų52.570%0.69526%0.264SS*.THydrogen-bonded Turntrans-87.4-6.5-179.8-72-21000114Q36 W37 I38Q36-N40 PolarHBondContact O-N 3.01Å; Q36-N40 PolarHBondContact O-ND2 3.41Å; Q36-N40 VanDerWaalsContact O-ND2 3.08Å; W37-N40 PolarHBondContact O-N 2.89Å; I38-N40 PolarHBondContact O-N 3Å
41Q91.9Very high89.7Confident56 Ų5657 Ų5726%0.26229%0.291SS..SBendtrans-95150.3178.5-46-50.5-55.100111.7W37 I38 W43 L56W37-Q41 HydrophobicContact CD2-CG 4.35Å; W37-Q41 HydrophobicContact CE3-CG 4.42Å; W37-Q41 HydrophobicContact CH2-CG 4.04Å; W37-Q41 HydrophobicContact CZ2-CG 3.95Å; W37-Q41 HydrophobicContact CZ3-CG 4.28Å; W37-Q41 WeakPolarHBondContact O-CG 3.3Å; W37-Q41 PolarHBondContact O-NE2 3.25Å; I38-Q41 PolarHBondContact O-N 3.14Å; Q41-W43 HydrophobicContact CB-CD2 4.39Å; Q41-W43 HydrophobicContact CB-CZ2 4.13Å; Q41-W43 HydrophobicContact CG-CZ2 4.03Å; Q41-W43 PolarHBondContact O-N 2.64Å; Q41-L56 HydrophobicContact CB-CD1 4.29Å; Q41-L56 HydrophobicContact CB-CD2 4.11Å; Q41-L56 HydrophobicContact CG-CD2 4.06Å
42D86.6Confident89.6Confident71 Ų7159.7 Ų59.738%0.3831%0.305SS..  trans-8979173.6-168.4-12.8000111.2E44 A45 A46 M52D42-E44 PolarHBondContact O-N 2.77Å; D42-E44 PolarHBondContact OD1-N 2.72Å; D42-A45 HydrophobicContact CB-CB 4.27Å; D42-A45 VanDerWaalsContact CG-CB 3.44Å; D42-A45 WeakPolarHBondContact OD1-CB 3.13Å; D42-A45 PolarHBondContact OD1-N 2.86Å; D42-A45 WeakPolarHBondContact OD2-CB 3.48Å; D42-A46 WeakPolarHBondContact O-CB 3.18Å; D42-A46 PolarHBondContact O-N 2.85Å; D42-A46 VanDerWaalsContact O-N 3.14Å; D42-M52 HydrophobicContact CB-CE 3.93Å
43W90Very high89.5Confident6 Ų655.2 Ų55.22%0.02328%0.284CS..Hα-helixtrans-67.6-22.1178-61.5102.8000113.2W37 I38 Q41 S47 L56 A102 I105W37-W43 HydrophobicContact CH2-CH2 4.02Å; W37-W43 HydrophobicContact CH2-CZ2 4.04Å; W37-W43 AromaticContact CZ3-CH2 3.93Å; W37-W43 HydrophobicContact CZ3-CH2 3.93Å; W37-W43 AromaticContact CZ3-CZ2 3.65Å; W37-W43 HydrophobicContact CZ3-CZ2 3.65Å; I38-W43 PolarHBondContact O-NE1 2.92Å; Q41-W43 HydrophobicContact CB-CD2 4.39Å; Q41-W43 HydrophobicContact CB-CZ2 4.13Å; Q41-W43 HydrophobicContact CG-CZ2 4.03Å; Q41-W43 PolarHBondContact O-N 2.64Å; W43-S47 WeakPolarHBondContact O-CB 3.35Å; W43-S47 PolarHBondContact O-N 3.2Å; W43-L56 HydrophobicContact CD2-CD1 4.34Å; W43-L56 HydrophobicContact CE3-CB 4.46Å; W43-L56 HydrophobicContact CE3-CD1 3.85Å; W43-L56 HydrophobicContact CH2-CB 4.05Å; W43-L56 HydrophobicContact CH2-CD1 4.48Å; W43-L56 HydrophobicContact CZ3-CB 3.73Å; W43-L56 HydrophobicContact CZ3-CD1 3.94Å; W43-L56 HydrophobicContact CZ3-CG 4.46Å; W43-A102 HydrophobicContact CE3-CB 4.15Å; W43-I105 HydrophobicContact CD2-CB 4.02Å; W43-I105 HydrophobicContact CD2-CD1 4.29Å; W43-I105 HydrophobicContact CD2-CG2 3.71Å; W43-I105 HydrophobicContact CE3-CB 4.29Å; W43-I105 HydrophobicContact CE3-CD1 4.08Å; W43-I105 HydrophobicContact CE3-CG2 4.43Å; W43-I105 HydrophobicContact CG-CB 4.23Å; W43-I105 HydrophobicContact CG-CG2 3.75Å; W43-I105 HydrophobicContact CH2-CD1 3.64Å; W43-I105 HydrophobicContact CZ2-CD1 3.87Å; W43-I105 HydrophobicContact CZ2-CG2 4.27Å; W43-I105 HydrophobicContact CZ3-CD1 3.75Å
44E85Confident89.5Confident70 Ų7055 Ų5533%0.32729%0.285SS..Hα-helixtrans-75.6-45.9179.9-170.3161.8-167.600110.7D42 A46 S47D42-E44 PolarHBondContact O-N 2.77Å; D42-E44 PolarHBondContact OD1-N 2.72Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 2.8Å; E44-S47 WeakPolarHBondContact O-CB 3.49Å; E44-S47 PolarHBondContact O-N 3.08Å; E44-S47 PolarHBondContact O-OG 3.29Å
45A84.3Confident89.5Confident15 Ų1559.2 Ų59.212%0.12431%0.307CS..Hα-helixtrans-60.7-43.1169.900000111.6D42 S47 N48 N49 M52D42-A45 HydrophobicContact CB-CB 4.27Å; D42-A45 VanDerWaalsContact CG-CB 3.44Å; D42-A45 WeakPolarHBondContact OD1-CB 3.13Å; D42-A45 PolarHBondContact OD1-N 2.86Å; D42-A45 WeakPolarHBondContact OD2-CB 3.48Å; A45-S47 PolarHBondContact O-N 3.24Å; A45-N48 PolarHBondContact O-N 2.88Å; A45-N48 VanDerWaalsContact O-N 3.09Å; A45-N49 PolarHBondContact O-N 3.26Å; A45-M52 HydrophobicContact CB-CE 4.08Å; A45-M52 HydrophobicContact CB-SD 3.88Å
46A87.6Confident89.5Confident0 Ų059.3 Ų59.30%031%0.306CS..Hα-helixtrans-62.9-30.1178.100000112.9D42 E44 N48 N49 M52 A53 L56 A102D42-A46 WeakPolarHBondContact O-CB 3.18Å; D42-A46 PolarHBondContact O-N 2.85Å; D42-A46 VanDerWaalsContact O-N 3.14Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 2.8Å; A46-N48 PolarHBondContact O-N 3.48Å; A46-N48 VanDerWaalsContact O-N 3.14Å; A46-N49 PolarHBondContact O-N 2.96Å; A46-M52 HydrophobicContact CB-CB 4.45Å; A46-M52 HydrophobicContact CB-CG 3.96Å; A46-M52 HydrophobicContact CB-SD 4.22Å; A46-A53 HydrophobicContact CB-CB 4.47Å; A46-A53 WeakPolarHBondContact O-CB 3.24Å; A46-L56 HydrophobicContact CB-CD1 3.52Å; A46-A102 HydrophobicContact CB-CB 3.81Å
47S86.7Confident89.5Confident22 Ų2252.9 Ų52.915%0.15428%0.276CS..THydrogen-bonded Turntrans-65.4-14.5176.676.60000114.3W43 E44 A45 M99W43-S47 WeakPolarHBondContact O-CB 3.35Å; W43-S47 PolarHBondContact O-N 3.2Å; E44-S47 WeakPolarHBondContact O-CB 3.49Å; E44-S47 PolarHBondContact O-N 3.08Å; E44-S47 PolarHBondContact O-OG 3.29Å; A45-S47 PolarHBondContact O-N 3.24Å; S47-M99 VanDerWaalsContact C-CE 3.43Å; S47-M99 WeakPolarHBondContact O-CE 3.47Å
48N82.9Confident89.4Confident135 Ų13556 Ų5672%0.72229%0.293SS*.THydrogen-bonded Turntrans-115.22178.3-64.2-55.5000113.1A45 A46 M99A45-N48 PolarHBondContact O-N 2.88Å; A45-N48 VanDerWaalsContact O-N 3.09Å; A46-N48 PolarHBondContact O-N 3.48Å; A46-N48 VanDerWaalsContact O-N 3.14Å; N48-M99 VanDerWaalsContact C-CE 3.49Å
49N86.8Confident89.4Confident70 Ų7059 Ų5937%0.37431%0.309SS..  trans-138.1108.7-178.7-177-19.9000112.3A45 A46 T51 M52 A53A45-N49 PolarHBondContact O-N 3.26Å; A46-N49 PolarHBondContact O-N 2.96Å; N49-T51 VanDerWaalsContact C-N 3.33Å; N49-T51 PolarHBondContact O-N 2.88Å; N49-T51 PolarHBondContact OD1-N 3Å; N49-T51 VanDerWaalsContact OD1-N 3.09Å; N49-T51 PolarHBondContact OD1-OG1 3.02Å; N49-M52 HydrophobicContact CB-CB 4.04Å; N49-M52 PolarHBondContact O-N 2.84Å; N49-M52 PolarHBondContact OD1-N 3.23Å; N49-A53 WeakPolarHBondContact O-CB 3.36Å; N49-A53 PolarHBondContact O-N 2.85Å
50E88.6Confident89.4Confident130 Ų13056.8 Ų56.861%0.60730%0.298SS*.Hα-helixtrans-61.3-37.7-174.9-173.5175.8-17100113.5A53 T54 M99E50-A53 PolarHBondContact O-N 3.49Å; E50-T54 WeakPolarHBondContact O-CB 3.38Å; E50-T54 PolarHBondContact O-N 3.45Å; E50-T54 PolarHBondContact O-OG1 3.07Å; E50-M99 WeakPolarHBondContact CA-SD 3.35Å; E50-M99 HydrophobicContact CB-CG 4.12Å; E50-M99 HydrophobicContact CB-SD 4.2Å; E50-M99 HydrophobicContact CG-CG 4.34Å; E50-M99 PolarHBondContact N-SD 2.6Å
51T88.3Confident89.4Confident96 Ų9651.6 Ų51.659%0.58927%0.271SS*.Hα-helixtrans-66.5-44.2179.462.50000111.1N49 T54 I55N49-T51 VanDerWaalsContact C-N 3.33Å; N49-T51 PolarHBondContact O-N 2.88Å; N49-T51 PolarHBondContact OD1-N 3Å; N49-T51 VanDerWaalsContact OD1-N 3.09Å; N49-T51 PolarHBondContact OD1-OG1 3.02Å; T51-T54 PolarHBondContact O-N 3.47Å; T51-I55 WeakPolarHBondContact O-CG1 3.41Å; T51-I55 PolarHBondContact O-N 3.04Å
52M89.6Confident89.5Confident57 Ų5753.1 Ų53.128%0.28128%0.279SS..Hα-helixtrans-65.6-44.1177-173.4175.9-178.300111D42 A45 A46 N49 T54 I55 L56D42-M52 HydrophobicContact CB-CE 3.93Å; A45-M52 HydrophobicContact CB-CE 4.08Å; A45-M52 HydrophobicContact CB-SD 3.88Å; A46-M52 HydrophobicContact CB-CB 4.45Å; A46-M52 HydrophobicContact CB-CG 3.96Å; A46-M52 HydrophobicContact CB-SD 4.22Å; N49-M52 HydrophobicContact CB-CB 4.04Å; N49-M52 PolarHBondContact O-N 2.84Å; N49-M52 PolarHBondContact OD1-N 3.23Å; M52-T54 VanDerWaalsContact C-N 3.3Å; M52-T54 PolarHBondContact O-N 3.11Å; M52-I55 PolarHBondContact O-N 3.37Å; M52-L56 HydrophobicContact CG-CD1 4.49Å; M52-L56 WeakPolarHBondContact O-CG 3.45Å; M52-L56 PolarHBondContact O-N 2.9Å
53A90.6Very high89.9Confident1 Ų151.8 Ų51.81%0.00827%0.271CS..Hα-helixtrans-59.6-40.4175.400000112.4A46 N49 E50 L56 L57 P98 M99 A102A46-A53 HydrophobicContact CB-CB 4.47Å; A46-A53 WeakPolarHBondContact O-CB 3.24Å; N49-A53 WeakPolarHBondContact O-CB 3.36Å; N49-A53 PolarHBondContact O-N 2.85Å; E50-A53 PolarHBondContact O-N 3.49Å; A53-L56 PolarHBondContact O-N 3.49Å; A53-L57 WeakPolarHBondContact O-CB 3.37Å; A53-L57 PolarHBondContact O-N 3.07Å; A53-P98 HydrophobicContact CB-CB 3.98Å; A53-M99 HydrophobicContact CB-CG 4.23Å; A53-M99 HydrophobicContact CB-SD 3.78Å; A53-A102 HydrophobicContact CB-CB 4.41Å
54T91.3Very high90Very high45 Ų4551.6 Ų51.628%0.27627%0.271SS..Hα-helixtrans-64.2-45.3177.4-570000111.4E50 T51 M52 L57 Q58E50-T54 WeakPolarHBondContact O-CB 3.38Å; E50-T54 PolarHBondContact O-N 3.45Å; E50-T54 PolarHBondContact O-OG1 3.07Å; T51-T54 PolarHBondContact O-N 3.47Å; M52-T54 VanDerWaalsContact C-N 3.3Å; M52-T54 PolarHBondContact O-N 3.11Å; T54-L57 PolarHBondContact O-N 3.38Å; T54-Q58 WeakPolarHBondContact O-CG 3.49Å; T54-Q58 PolarHBondContact O-N 3.14Å
55I92.6Very high90.3Very high96 Ų9651.1 Ų51.149%0.49227%0.27SS..Hα-helixtrans-62.5-46.7177-67.6165.3000110.5T51 M52 L57 Q58 N59T51-I55 WeakPolarHBondContact O-CG1 3.41Å; T51-I55 PolarHBondContact O-N 3.04Å; M52-I55 PolarHBondContact O-N 3.37Å; I55-L57 PolarHBondContact O-N 3.02Å; I55-Q58 PolarHBondContact O-N 3.1Å; I55-N59 WeakPolarHBondContact O-CB 3.03Å; I55-N59 VanDerWaalsContact O-CG 3.27Å; I55-N59 PolarHBondContact O-N 3.33Å; I55-N59 PolarHBondContact O-ND2 3.07Å
56L92.8Very high90.7Very high10 Ų1054.6 Ų54.65%0.05228%0.284CS..Hα-helixtrans-64.8-38.1179.1-71.4-175000112.5Q41 W43 A46 M52 A53 N59 L60Q41-L56 HydrophobicContact CB-CD1 4.29Å; Q41-L56 HydrophobicContact CB-CD2 4.11Å; Q41-L56 HydrophobicContact CG-CD2 4.06Å; W43-L56 HydrophobicContact CD2-CD1 4.34Å; W43-L56 HydrophobicContact CE3-CB 4.46Å; W43-L56 HydrophobicContact CE3-CD1 3.85Å; W43-L56 HydrophobicContact CH2-CB 4.05Å; W43-L56 HydrophobicContact CH2-CD1 4.48Å; W43-L56 HydrophobicContact CZ3-CB 3.73Å; W43-L56 HydrophobicContact CZ3-CD1 3.94Å; W43-L56 HydrophobicContact CZ3-CG 4.46Å; A46-L56 HydrophobicContact CB-CD1 3.52Å; M52-L56 HydrophobicContact CG-CD1 4.49Å; M52-L56 WeakPolarHBondContact O-CG 3.45Å; M52-L56 PolarHBondContact O-N 2.9Å; A53-L56 PolarHBondContact O-N 3.49Å; L56-N59 PolarHBondContact O-N 3.24Å; L56-L60 WeakPolarHBondContact O-CB 3.38Å; L56-L60 PolarHBondContact O-N 2.93Å
57L91.6Very high90.9Very high7 Ų756 Ų564%0.03729%0.291CS..Hα-helixtrans-63.1-44.4174.7175.961000111.2A53 T54 I55 L60 L61 F94 P98 V101A53-L57 WeakPolarHBondContact O-CB 3.37Å; A53-L57 PolarHBondContact O-N 3.07Å; T54-L57 PolarHBondContact O-N 3.38Å; I55-L57 PolarHBondContact O-N 3.02Å; L57-L60 PolarHBondContact O-N 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 2.78Å; L57-F94 HydrophobicContact CD1-CB 4.29Å; L57-F94 HydrophobicContact CD2-CB 4.06Å; L57-P98 HydrophobicContact CB-CB 4.47Å; L57-P98 HydrophobicContact CD2-CB 4.03Å; L57-P98 HydrophobicContact CD2-CG 4.19Å; L57-V101 HydrophobicContact CB-CG1 4.17Å; L57-V101 HydrophobicContact CD1-CG1 4Å; L57-V101 HydrophobicContact CG-CG1 4.46Å
58Q92.4Very high91Very high113 Ų11356.3 Ų56.353%0.52829%0.29SS..Hα-helixtrans-61.7-45.5175.9-72177.74.600111.3T54 I55 L60 L61 I62T54-Q58 WeakPolarHBondContact O-CG 3.49Å; T54-Q58 PolarHBondContact O-N 3.14Å; I55-Q58 PolarHBondContact O-N 3.1Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 2.98Å; Q58-L61 PolarHBondContact O-N 2.81Å; Q58-I62 WeakPolarHBondContact O-CG1 3.45Å; Q58-I62 PolarHBondContact O-N 2.95Å
59N93.8Very high91.3Very high63 Ų6351.5 Ų51.534%0.33727%0.273SS..Hα-helixtrans-63.5-38.2177.5-69.3-18.3000112.4W37 I55 L56 L61 I62 Q63W37-N59 HydrophobicContact CH2-CB 4.13Å; W37-N59 HydrophobicContact CZ2-CB 3.61Å; I55-N59 WeakPolarHBondContact O-CB 3.03Å; I55-N59 VanDerWaalsContact O-CG 3.27Å; I55-N59 PolarHBondContact O-N 3.33Å; I55-N59 PolarHBondContact O-ND2 3.07Å; L56-N59 PolarHBondContact O-N 3.24Å; N59-L61 VanDerWaalsContact C-N 3.33Å; N59-L61 PolarHBondContact O-N 3.03Å; N59-I62 PolarHBondContact O-N 2.83Å; N59-Q63 WeakPolarHBondContact O-CG 3.47Å; N59-Q63 PolarHBondContact O-N 3.44Å
60L93.1Very high91.4Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-61.1-42.6174.5176.565.7000111.3I30 L34 W37 L56 L57 Q58 I62 Q63 L64 L90 I105I30-L60 HydrophobicContact CG2-CD1 4.05Å; L34-L60 HydrophobicContact CD1-CD1 3.72Å; W37-L60 HydrophobicContact CE3-CD1 4.19Å; W37-L60 HydrophobicContact CH2-CB 3.82Å; W37-L60 HydrophobicContact CH2-CD1 4.49Å; W37-L60 HydrophobicContact CZ3-CB 3.79Å; W37-L60 HydrophobicContact CZ3-CD1 3.61Å; W37-L60 HydrophobicContact CZ3-CG 4.29Å; L56-L60 WeakPolarHBondContact O-CB 3.38Å; L56-L60 PolarHBondContact O-N 2.93Å; L57-L60 PolarHBondContact O-N 3.25Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 2.98Å; L60-I62 VanDerWaalsContact C-N 3.35Å; L60-Q63 PolarHBondContact O-N 3.07Å; L60-L64 WeakPolarHBondContact O-CB 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; L60-L90 HydrophobicContact CD2-CD1 4.13Å; L60-I105 HydrophobicContact CD2-CD1 4.1Å
61L92Very high91.4Very high21 Ų2149 Ų4911%0.1125%0.253CS..Hα-helixtrans-65.8-37176.8-67.9175000112.2L57 Q58 N59 L64 D65 R87 L90L57-L61 WeakPolarHBondContact O-CG 3.46Å; L57-L61 PolarHBondContact O-N 2.78Å; Q58-L61 PolarHBondContact O-N 2.81Å; N59-L61 VanDerWaalsContact C-N 3.33Å; N59-L61 PolarHBondContact O-N 3.03Å; L61-L64 PolarHBondContact O-N 2.84Å; L61-D65 PolarHBondContact O-N 3.45Å; L61-R87 HydrophobicContact CD2-CG 4.47Å; L61-R87 PolarHBondContact O-NH1 3.45Å; L61-R87 VanDerWaalsContact O-NH1 3.1Å; L61-L90 HydrophobicContact CD2-CB 4.38Å
62I93.9Very high91.4Very high87 Ų8747 Ų4745%0.44624%0.243SC..Hα-helixtrans-63.9-48.1174.1-67.4166000110.2Q58 N59 L60 L64 D65 E66Q58-I62 WeakPolarHBondContact O-CG1 3.45Å; Q58-I62 PolarHBondContact O-N 2.95Å; N59-I62 PolarHBondContact O-N 2.83Å; L60-I62 VanDerWaalsContact C-N 3.35Å; I62-L64 VanDerWaalsContact C-N 3.25Å; I62-L64 PolarHBondContact O-N 3.14Å; I62-D65 WeakPolarHBondContact O-CB 3.43Å; I62-D65 PolarHBondContact O-N 3.26Å; I62-D65 VanDerWaalsContact O-N 3.11Å; I62-E66 PolarHBondContact O-N 3.34Å
63Q93.3Very high91.4Very high44 Ų4452.9 Ų52.921%0.20627%0.267CS..Hα-helixtrans-60.5-36.9176.9-73.2-61.3-59.400112.1L34 W37 N59 L60 E66 Q67L34-Q63 HydrophobicContact CD1-CB 3.82Å; L34-Q63 HydrophobicContact CD2-CB 3.91Å; W37-Q63 HydrophobicContact CD2-CG 3.87Å; W37-Q63 HydrophobicContact CE3-CG 4.47Å; W37-Q63 HydrophobicContact CG-CG 3.99Å; W37-Q63 HydrophobicContact CZ2-CG 4.45Å; N59-Q63 WeakPolarHBondContact O-CG 3.47Å; N59-Q63 PolarHBondContact O-N 3.44Å; L60-Q63 PolarHBondContact O-N 3.07Å; Q63-E66 PolarHBondContact NE2-OE2 3.43Å; Q63-E66 PolarHBondContact O-N 3.47Å; Q63-Q67 WeakPolarHBondContact O-CG 3.42Å; Q63-Q67 PolarHBondContact O-N 3.22Å
64L92.4Very high91.3Very high2 Ų259.6 Ų59.61%0.0130%0.298CS..Hα-helixtrans-67.3-38.1175.4-167.7148.3000112.1I30 L60 L61 I62 Q67 L68 I86 R87 L90I30-L64 HydrophobicContact CD1-CD1 4.11Å; I30-L64 HydrophobicContact CG1-CD1 4.1Å; L60-L64 WeakPolarHBondContact O-CB 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; L61-L64 PolarHBondContact O-N 2.84Å; I62-L64 VanDerWaalsContact C-N 3.25Å; I62-L64 PolarHBondContact O-N 3.14Å; L64-Q67 PolarHBondContact O-N 2.96Å; L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 PolarHBondContact O-N 3.02Å; L64-I86 HydrophobicContact CD1-CG2 4.06Å; L64-R87 HydrophobicContact CD2-CB 3.61Å; L64-R87 HydrophobicContact CD2-CG 3.96Å; L64-L90 HydrophobicContact CD1-CD1 4.38Å
65D92.1Very high91.1Very high60 Ų6066.2 Ų66.232%0.32132%0.323SS..Hα-helixtrans-64.2-40.8173.1-78.5-33.8000112.6L61 I62 Q67 L68 G69 R87L61-D65 PolarHBondContact O-N 3.45Å; I62-D65 WeakPolarHBondContact O-CB 3.43Å; I62-D65 PolarHBondContact O-N 3.26Å; I62-D65 VanDerWaalsContact O-N 3.11Å; D65-Q67 VanDerWaalsContact C-N 3.34Å; D65-Q67 PolarHBondContact O-N 2.99Å; D65-L68 WeakPolarHBondContact O-CB 3.46Å; D65-L68 PolarHBondContact O-N 2.83Å; D65-G69 PolarHBondContact O-N 2.85Å; D65-R87 VanDerWaalsContact CG-NH2 3.34Å; D65-R87 IonicContact OD1-CZ 3.57Å; D65-R87 IonicContact OD1-NE 3.19Å; D65-R87 PolarHBondContact OD1-NE 3.38Å; D65-R87 IonicContact OD1-NH1 3.94Å; D65-R87 PolarHBondContact OD1-NH1 3.03Å; D65-R87 IonicContact OD1-NH2 3.53Å; D65-R87 PolarHBondContact OD1-NH2 2.7Å; D65-R87 IonicContact OD2-CZ 2.78Å; D65-R87 IonicContact OD2-NH1 2.63Å; D65-R87 PolarHBondContact OD2-NH1 3.06Å; D65-R87 IonicContact OD2-NH2 3.91Å; D65-R87 PolarHBondContact OD2-NH2 2.99Å
66E92.7Very high90.9Very high87 Ų8765 Ų6541%0.40732%0.317SS..Hα-helixtrans-61.1-44176-71.5178.7-177.200111.1I62 Q63 G69 R70I62-E66 PolarHBondContact O-N 3.34Å; Q63-E66 PolarHBondContact NE2-OE2 3.43Å; Q63-E66 PolarHBondContact O-N 3.47Å; E66-G69 PolarHBondContact O-N 3.25Å; E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 3.19Å
67Q90.4Very high90.8Very high31 Ų3171.2 Ų71.215%0.14535%0.35CS..Hα-helixtrans-65.6-42.3174.9-68-59.3-22.700112L34 Q63 L64 D65 G69 R70 V71L34-Q67 HydrophobicContact CD2-CG 3.48Å; L34-Q67 VanDerWaalsContact CD2-CG 3.48Å; L34-Q67 HydrophobicContact CG-CG 4.4Å; Q63-Q67 WeakPolarHBondContact O-CG 3.42Å; Q63-Q67 PolarHBondContact O-N 3.22Å; L64-Q67 PolarHBondContact O-N 2.96Å; D65-Q67 VanDerWaalsContact C-N 3.34Å; D65-Q67 PolarHBondContact O-N 2.99Å; Q67-G69 PolarHBondContact O-N 3.4Å; Q67-R70 PolarHBondContact O-N 2.94Å; Q67-R70 VanDerWaalsContact O-N 3.08Å; Q67-V71 VanDerWaalsContact O-CG2 3.31Å; Q67-V71 WeakPolarHBondContact O-CG2 3.49Å; Q67-V71 PolarHBondContact O-N 3.23Å
68L90.3Very high90.7Very high28 Ų2876.6 Ų76.615%0.14738%0.378CS..Hα-helixtrans-55.9-42.1173.5-168.790.1000111L64 D65 S72 L83 K84L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 PolarHBondContact O-N 3.02Å; D65-L68 WeakPolarHBondContact O-CB 3.46Å; D65-L68 PolarHBondContact O-N 2.83Å; L68-S72 VanDerWaalsContact O-CB 3.24Å; L68-S72 WeakPolarHBondContact O-CB 3.26Å; L68-S72 PolarHBondContact O-N 3.44Å; L68-S72 PolarHBondContact O-OG 3.17Å; L68-L83 HydrophobicContact CD1-CB 3.58Å; L68-L83 HydrophobicContact CD1-CD1 4.42Å; L68-K84 HydrophobicContact CD1-CG 3.86Å; L68-K84 HydrophobicContact CD2-CG 4.44Å
69G89.5Confident90.5Very high34 Ų3473 Ų7335%0.35136%0.362SS..Hα-helixtrans-63.4-38.8175.900000113.4D65 E66 Q67 K73D65-G69 PolarHBondContact O-N 2.85Å; E66-G69 PolarHBondContact O-N 3.25Å; Q67-G69 PolarHBondContact O-N 3.4Å; G69-K73 WeakPolarHBondContact O-CG 3.45Å; G69-K73 PolarHBondContact O-N 2.88Å
70R88.9Confident90.3Very high142 Ų14271 Ų7154%0.53635%0.351SS..Hα-helixtrans-67.3-52.6175-67.8176.3-169.9-152.64.9111.7E66 Q67 S72 K73 E74E66-R70 WeakPolarHBondContact O-CG 3.5Å; E66-R70 PolarHBondContact O-N 3.19Å; Q67-R70 PolarHBondContact O-N 2.94Å; Q67-R70 VanDerWaalsContact O-N 3.08Å; R70-S72 VanDerWaalsContact C-N 3.25Å; R70-S72 PolarHBondContact O-N 2.98Å; R70-K73 WeakPolarHBondContact O-CB 3.24Å; R70-K73 PolarHBondContact O-N 3.47Å; R70-E74 PolarHBondContact O-N 3.33Å
71V88.4Confident90.2Very high5 Ų576.4 Ų76.43%0.0338%0.377CS..Hα-helixtrans-63-32.9-179.3179.20000111.7Q67 K73 E74 K75 N76 L79 I80 L83Q67-V71 VanDerWaalsContact O-CG2 3.31Å; Q67-V71 WeakPolarHBondContact O-CG2 3.49Å; Q67-V71 PolarHBondContact O-N 3.23Å; V71-K73 VanDerWaalsContact C-N 3.26Å; V71-K73 PolarHBondContact O-N 2.81Å; V71-E74 PolarHBondContact O-N 3.37Å; V71-E74 VanDerWaalsContact O-N 3.13Å; V71-K75 PolarHBondContact O-N 2.91Å; V71-N76 HydrophobicContact CG1-CB 3.93Å; V71-L79 HydrophobicContact CB-CD2 4.38Å; V71-L79 HydrophobicContact CG1-CB 3.77Å; V71-L79 HydrophobicContact CG1-CD2 3.68Å; V71-L79 HydrophobicContact CG1-CG 3.83Å; V71-L79 HydrophobicContact CG2-CD2 3.66Å; V71-L79 HydrophobicContact CG2-CG 4.28Å; V71-I80 HydrophobicContact CG1-CG1 3.88Å; V71-L83 HydrophobicContact CG2-CD1 4.12Å
72S87.6Confident90.1Very high54 Ų5476.9 Ų76.938%0.37838%0.379SS..Hα-helixtrans-62.9-32.1174.3-63.30000112.7L68 R70 K75L68-S72 VanDerWaalsContact O-CB 3.24Å; L68-S72 WeakPolarHBondContact O-CB 3.26Å; L68-S72 PolarHBondContact O-N 3.44Å; L68-S72 PolarHBondContact O-OG 3.17Å; R70-S72 VanDerWaalsContact C-N 3.25Å; R70-S72 PolarHBondContact O-N 2.98Å; S72-K75 PolarHBondContact O-N 2.97Å
73K90.2Very high90Very high180 Ų18072.9 Ų72.978%0.78336%0.358SS*.Hα-helixtrans-71.4-32.8174.2-65.3171.9-178-178.70111.8G69 R70 V71 K75G69-K73 WeakPolarHBondContact O-CG 3.45Å; G69-K73 PolarHBondContact O-N 2.88Å; R70-K73 WeakPolarHBondContact O-CB 3.24Å; R70-K73 PolarHBondContact O-N 3.47Å; V71-K73 VanDerWaalsContact C-N 3.26Å; V71-K73 PolarHBondContact O-N 2.81Å; K73-K75 VanDerWaalsContact C-N 3.26Å; K73-K75 PolarHBondContact O-N 2.81Å
74E88.1Confident89.9Confident143 Ų14376.8 Ų76.867%0.66838%0.375SS*.Hα-helixtrans-78.2-6.6177.2-64.4172.1-172.600113.4R70 V71 N76R70-E74 PolarHBondContact O-N 3.33Å; V71-E74 PolarHBondContact O-N 3.37Å; V71-E74 VanDerWaalsContact O-N 3.13Å; E74-N76 PolarHBondContact O-N 2.93Å
75K86.2Confident89.9Confident183 Ų18382.9 Ų82.980%0.79640%0.398SS*.THydrogen-bonded Turntrans58.226.9179.7-59-177.1178.7178.40114.9V71 S72 K73 L77V71-K75 PolarHBondContact O-N 2.91Å; S72-K75 PolarHBondContact O-N 2.97Å; K73-K75 VanDerWaalsContact C-N 3.26Å; K73-K75 PolarHBondContact O-N 2.81Å; K75-L77 PolarHBondContact O-N 3.18Å
76N88.4Confident89.8Confident70 Ų7080.2 Ų80.237%0.37438%0.384SS..  trans-77.988.2174.6-172.7-28.5000110.9V71 E74 L78 L79 I80V71-N76 HydrophobicContact CG1-CB 3.93Å; E74-N76 PolarHBondContact O-N 2.93Å; N76-L78 VanDerWaalsContact C-N 3.28Å; N76-L78 PolarHBondContact O-N 2.74Å; N76-L78 PolarHBondContact OD1-N 2.67Å; N76-L79 HydrophobicContact CB-CB 4.18Å; N76-L79 PolarHBondContact O-N 3.1Å; N76-L79 WeakPolarHBondContact OD1-CB 3.49Å; N76-L79 PolarHBondContact OD1-N 2.94Å; N76-I80 WeakPolarHBondContact O-CD1 3.37Å; N76-I80 WeakPolarHBondContact O-CG1 3.29Å; N76-I80 PolarHBondContact O-N 3.02Å
77L90.6Very high89.6Confident141 Ų14179.3 Ų79.374%0.73838%0.376SS*.Hα-helixtrans-55.8-40.3-175.3-176.865.6000113.3K75 H81K75-L77 PolarHBondContact O-N 3.18Å; L77-H81 WeakPolarHBondContact O-CB 3.43Å; L77-H81 PolarHBondContact O-N 2.58Å
78L89.9Confident89.6Confident121 Ų12185.7 Ų85.763%0.63440%0.404SS*.Hα-helixtrans-63.8-49.9-179.7179.664.6000111N76 I80 H81 N82N76-L78 VanDerWaalsContact C-N 3.28Å; N76-L78 PolarHBondContact O-N 2.74Å; N76-L78 PolarHBondContact OD1-N 2.67Å; L78-I80 VanDerWaalsContact C-N 3.35Å; L78-I80 PolarHBondContact O-N 3.12Å; L78-H81 PolarHBondContact O-N 3.49Å; L78-N82 PolarHBondContact O-N 3.03Å
79L88.6Confident89.4Confident36 Ų3686.8 Ų86.819%0.18841%0.411CS..Hα-helixtrans-68.5-35.9-178.7-169.362.7000111.5L33 V71 N76 N82 L83L33-L79 HydrophobicContact CD1-CD1 4.36Å; L33-L79 HydrophobicContact CD1-CD2 4.49Å; V71-L79 HydrophobicContact CB-CD2 4.38Å; V71-L79 HydrophobicContact CG1-CB 3.77Å; V71-L79 HydrophobicContact CG1-CD2 3.68Å; V71-L79 HydrophobicContact CG1-CG 3.83Å; V71-L79 HydrophobicContact CG2-CD2 3.66Å; V71-L79 HydrophobicContact CG2-CG 4.28Å; N76-L79 HydrophobicContact CB-CB 4.18Å; N76-L79 PolarHBondContact O-N 3.1Å; N76-L79 WeakPolarHBondContact OD1-CB 3.49Å; N76-L79 PolarHBondContact OD1-N 2.94Å; L79-N82 PolarHBondContact O-N 3.38Å; L79-L83 HydrophobicContact CD1-CG 4.41Å; L79-L83 HydrophobicContact CG-CD1 4.16Å; L79-L83 HydrophobicContact CG-CG 4.38Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.48Å
80I90.8Very high89.2Confident22 Ų2285.2 Ų85.211%0.11340%0.395CS..Hα-helixtrans-59.6-47.7171.7-65162.3000110.6V71 N76 L78 K84V71-I80 HydrophobicContact CG1-CG1 3.88Å; N76-I80 WeakPolarHBondContact O-CD1 3.37Å; N76-I80 WeakPolarHBondContact O-CG1 3.29Å; N76-I80 PolarHBondContact O-N 3.02Å; L78-I80 VanDerWaalsContact C-N 3.35Å; L78-I80 PolarHBondContact O-N 3.12Å; I80-K84 HydrophobicContact CG2-CD 4.23Å; I80-K84 WeakPolarHBondContact O-CB 3.34Å; I80-K84 WeakPolarHBondContact O-CG 3.5Å; I80-K84 PolarHBondContact O-N 3.3Å
81H90.5Very high89Confident114 Ų11482.8 Ų82.853%0.52839%0.39SS..Hα-helixtrans-61.1-47.6178.4175.3-89.1000111.3L77 L78 K84 R85L77-H81 WeakPolarHBondContact O-CB 3.43Å; L77-H81 PolarHBondContact O-N 2.58Å; L78-H81 PolarHBondContact O-N 3.49Å; H81-K84 PolarHBondContact O-N 3.43Å; H81-R85 PolarHBondContact O-N 3.24Å
82N90.4Very high88.8Confident30 Ų3085.8 Ų85.816%0.1642%0.421CS..Hα-helixtrans-62.2-48179.8-70.6-5.3000111.6L78 L79 K84 R85 I86L78-N82 PolarHBondContact O-N 3.03Å; L79-N82 PolarHBondContact O-N 3.38Å; N82-K84 PolarHBondContact O-N 3.31Å; N82-R85 WeakPolarHBondContact O-CB 3.41Å; N82-R85 PolarHBondContact O-N 3.02Å; N82-I86 WeakPolarHBondContact O-CB 3.02Å; N82-I86 WeakPolarHBondContact O-CG1 3.42Å; N82-I86 PolarHBondContact O-N 3.06Å
83L90.9Very high88.6Confident3 Ų387.6 Ų87.62%0.01642%0.422CS..Hα-helixtrans-62.7-39.3178.5-72.3178000112.7L33 L68 V71 L79 I86 R87L33-L83 HydrophobicContact CD1-CD1 4.09Å; L33-L83 HydrophobicContact CD1-CD2 3.83Å; L33-L83 HydrophobicContact CD1-CG 4.4Å; L68-L83 HydrophobicContact CD1-CB 3.58Å; L68-L83 HydrophobicContact CD1-CD1 4.42Å; V71-L83 HydrophobicContact CG2-CD1 4.12Å; L79-L83 HydrophobicContact CD1-CG 4.41Å; L79-L83 HydrophobicContact CG-CD1 4.16Å; L79-L83 HydrophobicContact CG-CG 4.38Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 VanDerWaalsContact O-CG 3.28Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.48Å; L83-I86 PolarHBondContact O-N 3.15Å; L83-R87 WeakPolarHBondContact O-CB 3.29Å; L83-R87 PolarHBondContact O-N 3.4Å
84K91.1Very high88.4Confident127 Ų12779.1 Ų79.155%0.55239%0.385SS*.Hα-helixtrans-62.3-43.6173.2-75.7-179.9-179.4179.90112.1L68 I80 H81 N82 K88L68-K84 HydrophobicContact CD1-CG 3.86Å; L68-K84 HydrophobicContact CD2-CG 4.44Å; I80-K84 HydrophobicContact CG2-CD 4.23Å; I80-K84 WeakPolarHBondContact O-CB 3.34Å; I80-K84 WeakPolarHBondContact O-CG 3.5Å; I80-K84 PolarHBondContact O-N 3.3Å; H81-K84 PolarHBondContact O-N 3.43Å; N82-K84 PolarHBondContact O-N 3.31Å; K84-K88 PolarHBondContact O-N 2.85Å
85R91.8Very high88.1Confident129 Ų12978.9 Ų78.949%0.48738%0.384SS..Hα-helixtrans-61.2-51.2176.6-175.3-17874.8178.33.5110.6H81 N82 R87 K88 V89H81-R85 PolarHBondContact O-N 3.24Å; N82-R85 WeakPolarHBondContact O-CB 3.41Å; N82-R85 PolarHBondContact O-N 3.02Å; R85-R87 PolarHBondContact O-N 3.44Å; R85-K88 PolarHBondContact O-N 2.96Å; R85-V89 WeakPolarHBondContact O-CG2 3.37Å; R85-V89 PolarHBondContact O-N 3.16Å
86I89.8Confident87.9Confident5 Ų573.9 Ų73.93%0.02639%0.385CS..Hα-helixtrans-58.8-46.4-179.8-72.7169.8000111.2P27 E29 I30 L64 N82 L83 K88 V89 L90P27-I86 HydrophobicContact CB-CD1 3.81Å; P27-I86 HydrophobicContact CB-CG1 4.1Å; P27-I86 HydrophobicContact CG-CD1 4.24Å; P27-I86 HydrophobicContact CG-CG1 3.96Å; P27-I86 HydrophobicContact CG-CG2 4.08Å; E29-I86 HydrophobicContact CB-CD1 4.04Å; E29-I86 HydrophobicContact CG-CD1 4.42Å; I30-I86 HydrophobicContact CD1-CG2 3.08Å; I30-I86 HydrophobicContact CG1-CG2 3.54Å; L64-I86 HydrophobicContact CD1-CG2 4.06Å; N82-I86 WeakPolarHBondContact O-CB 3.02Å; N82-I86 WeakPolarHBondContact O-CG1 3.42Å; N82-I86 PolarHBondContact O-N 3.06Å; L83-I86 PolarHBondContact O-N 3.15Å; I86-K88 VanDerWaalsContact C-N 3.3Å; I86-K88 PolarHBondContact O-N 3.19Å; I86-V89 PolarHBondContact O-N 3.24Å; I86-V89 VanDerWaalsContact O-N 3.12Å; I86-L90 HydrophobicContact CG2-CD1 4.45Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 PolarHBondContact O-N 2.9Å
87R90.3Very high87.8Confident68 Ų6874.4 Ų74.426%0.25739%0.388SS..Hα-helixtrans-52.6-49.4175.7-174.7-178169.382.9-14.2111.6L61 L64 D65 L83 R85 V89 L90 Q91L61-R87 HydrophobicContact CD2-CG 4.47Å; L61-R87 PolarHBondContact O-NH1 3.45Å; L61-R87 VanDerWaalsContact O-NH1 3.1Å; L64-R87 HydrophobicContact CD2-CB 3.61Å; L64-R87 HydrophobicContact CD2-CG 3.96Å; D65-R87 VanDerWaalsContact CG-NH2 3.34Å; D65-R87 IonicContact OD1-CZ 3.57Å; D65-R87 IonicContact OD1-NE 3.19Å; D65-R87 PolarHBondContact OD1-NE 3.38Å; D65-R87 IonicContact OD1-NH1 3.94Å; D65-R87 PolarHBondContact OD1-NH1 3.03Å; D65-R87 IonicContact OD1-NH2 3.53Å; D65-R87 PolarHBondContact OD1-NH2 2.7Å; D65-R87 IonicContact OD2-CZ 2.78Å; D65-R87 IonicContact OD2-NH1 2.63Å; D65-R87 PolarHBondContact OD2-NH1 3.06Å; D65-R87 IonicContact OD2-NH2 3.91Å; D65-R87 PolarHBondContact OD2-NH2 2.99Å; L83-R87 WeakPolarHBondContact O-CB 3.29Å; L83-R87 PolarHBondContact O-N 3.4Å; R85-R87 PolarHBondContact O-N 3.44Å; R87-V89 VanDerWaalsContact C-N 3.34Å; R87-V89 PolarHBondContact O-N 3.04Å; R87-L90 PolarHBondContact O-N 2.96Å; R87-Q91 WeakPolarHBondContact O-CB 3.42Å; R87-Q91 PolarHBondContact O-N 3.37Å
88K88.7Confident87.6Confident165 Ų16568 Ų6872%0.71736%0.355SS*.Hα-helixtrans-63.7-40.3179.9-170.9179.6179.5-177.80111.5K84 R85 I86 G92K84-K88 PolarHBondContact O-N 2.85Å; R85-K88 PolarHBondContact O-N 2.96Å; I86-K88 VanDerWaalsContact C-N 3.3Å; I86-K88 PolarHBondContact O-N 3.19Å; K88-G92 PolarHBondContact O-N 3.34Å
89V86.4Confident87.6Confident51 Ų5164.4 Ų64.431%0.30934%0.335SS..Hα-helixtrans-65.6-48.9177.2172.20000111.2R85 I86 R87 Q91 G92 K93R85-V89 WeakPolarHBondContact O-CG2 3.37Å; R85-V89 PolarHBondContact O-N 3.16Å; I86-V89 PolarHBondContact O-N 3.24Å; I86-V89 VanDerWaalsContact O-N 3.12Å; R87-V89 VanDerWaalsContact C-N 3.34Å; R87-V89 PolarHBondContact O-N 3.04Å; V89-Q91 PolarHBondContact O-N 2.91Å; V89-G92 PolarHBondContact O-N 3.47Å; V89-K93 HydrophobicContact CG1-CD 3.77Å; V89-K93 HydrophobicContact CG1-CG 4.2Å; V89-K93 VanDerWaalsContact O-CB 3.3Å; V89-K93 WeakPolarHBondContact O-CB 3.47Å; V89-K93 WeakPolarHBondContact O-CG 3.42Å; V89-K93 PolarHBondContact O-N 3.26Å
90L85.3Confident87.6Confident1 Ų166.8 Ų66.81%0.00535%0.345CS..Hα-helixtrans-60.4-46.4178.5-75.3-170000111.7I30 L60 L61 L64 I86 R87 F94I30-L90 HydrophobicContact CD1-CD1 3.38Å; I30-L90 HydrophobicContact CD1-CD2 4.36Å; I30-L90 HydrophobicContact CD1-CG 4.01Å; L60-L90 HydrophobicContact CD2-CD1 4.13Å; L61-L90 HydrophobicContact CD2-CB 4.38Å; L64-L90 HydrophobicContact CD1-CD1 4.38Å; I86-L90 HydrophobicContact CG2-CD1 4.45Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 PolarHBondContact O-N 2.9Å; R87-L90 PolarHBondContact O-N 2.96Å; L90-F94 HydrophobicContact CB-CD2 4.48Å; L90-F94 HydrophobicContact CD2-CD2 3.77Å; L90-F94 HydrophobicContact CD2-CE2 3.54Å; L90-F94 WeakPolarHBondContact O-CB 3.42Å; L90-F94 WeakPolarHBondContact O-CD2 3.29Å; L90-F94 PolarHBondContact O-N 3.3Å
91Q85.7Confident87.6Confident91 Ų9165.8 Ų65.843%0.42534%0.34SS..Hα-helixtrans-64.1-44.3178.7-168.4173.412.400111.2R87 V89 H95R87-Q91 WeakPolarHBondContact O-CB 3.42Å; R87-Q91 PolarHBondContact O-N 3.37Å; V89-Q91 PolarHBondContact O-N 2.91Å; Q91-H95 WeakPolarHBondContact O-CB 3.29Å; Q91-H95 PolarHBondContact O-N 2.89Å
92G84.6Confident87.6Confident67 Ų6760.3 Ų60.369%0.69132%0.315SS*.Hα-helixtrans-66-41.6178.200000113.8K88 V89K88-G92 PolarHBondContact O-N 3.34Å; V89-G92 PolarHBondContact O-N 3.47Å
93K83.3Confident87.5Confident93 Ų9361.5 Ų61.540%0.40432%0.322SS..Hα-helixtrans-76.9-40.7-175.9-76.4-173.5175.9-177.80113.4D24 N25 V89D24-K93 PolarHBondContact O-NZ 3.5Å; N25-K93 PolarHBondContact OD1-NZ 3.44Å; V89-K93 HydrophobicContact CG1-CD 3.77Å; V89-K93 HydrophobicContact CG1-CG 4.2Å; V89-K93 VanDerWaalsContact O-CB 3.3Å; V89-K93 WeakPolarHBondContact O-CB 3.47Å; V89-K93 WeakPolarHBondContact O-CG 3.42Å; V89-K93 PolarHBondContact O-N 3.26Å
94F85.3Confident87.5Confident1 Ų162.4 Ų62.40%0.00433%0.328CS..Hα-helixtrans-110.3-9.9-166.1-60-74.1000114.7N25 L57 L90 G96 N97 P98 H100 V101N25-F94 WeakPolarHBondContact O-CE2 3.42Å; N25-F94 WeakPolarHBondContact O-CZ 3.49Å; L57-F94 HydrophobicContact CD1-CB 4.29Å; L57-F94 HydrophobicContact CD2-CB 4.06Å; L90-F94 HydrophobicContact CB-CD2 4.48Å; L90-F94 HydrophobicContact CD2-CD2 3.77Å; L90-F94 HydrophobicContact CD2-CE2 3.54Å; L90-F94 WeakPolarHBondContact O-CB 3.42Å; L90-F94 WeakPolarHBondContact O-CD2 3.29Å; L90-F94 PolarHBondContact O-N 3.3Å; F94-G96 VanDerWaalsContact C-N 3.25Å; F94-G96 PolarHBondContact O-N 2.95Å; F94-N97 CarbonylContact O-C 3.58Å; F94-N97 PolarHBondContact O-N 2.98Å; F94-P98 VanDerWaalsContact O-N 3.13Å; F94-H100 HydrophobicContact CD1-CB 4.13Å; F94-H100 AromaticContact CD1-ND1 3.73Å; F94-H100 HydrophobicContact CE1-CB 4.26Å; F94-H100 AromaticContact CE1-CE1 3.94Å; F94-H100 AromaticContact CE1-CG 3.94Å; F94-H100 AromaticContact CE1-ND1 3.24Å; F94-H100 WeakPolarHBondContact CE1-ND1 3.45Å; F94-V101 HydrophobicContact CB-CB 4.09Å; F94-V101 HydrophobicContact CB-CG1 4.43Å; F94-V101 HydrophobicContact CD1-CB 3.58Å; F94-V101 HydrophobicContact CD1-CG2 4.39Å; F94-V101 HydrophobicContact CD2-CB 4.16Å; F94-V101 HydrophobicContact CD2-CG2 4.2Å; F94-V101 HydrophobicContact CE1-CB 3.91Å; F94-V101 HydrophobicContact CE1-CG2 4.43Å; F94-V101 HydrophobicContact CE2-CB 4.49Å; F94-V101 HydrophobicContact CE2-CG2 4.31Å; F94-V101 HydrophobicContact CG-CB 3.7Å; F94-V101 HydrophobicContact CG-CG2 4.26Å; F94-V101 HydrophobicContact CZ-CB 4.37Å; F94-V101 HydrophobicContact CZ-CG2 4.41Å
95H81.5Confident87.5Confident138 Ų13856.3 Ų56.364%0.63930%0.302SS*.THydrogen-bonded Turntrans-61.7-33.3180-171.477.6000113.2Q91Q91-H95 WeakPolarHBondContact O-CB 3.29Å; Q91-H95 PolarHBondContact O-N 2.89Å
96G81.7Confident87.4Confident79 Ų7950.5 Ų50.581%0.81428%0.281SS*.THydrogen-bonded Turntrans-85.5-7.4174.400000114.9F94F94-G96 VanDerWaalsContact C-N 3.25Å; F94-G96 PolarHBondContact O-N 2.95Å
97N86.8Confident87.4Confident81 Ų8153.4 Ų53.443%0.43330%0.296SS..  trans-152.977176.9-171.9-10.3000110.9F94 M99 H100F94-N97 CarbonylContact O-C 3.58Å; F94-N97 PolarHBondContact O-N 2.98Å; N97-M99 PolarHBondContact O-N 3.49Å; N97-H100 HydrophobicContact CB-CB 4.31Å; N97-H100 WeakPolarHBondContact O-CB 3.33Å; N97-H100 PolarHBondContact O-N 3.35Å; N97-H100 PolarHBondContact OD1-N 3.25Å
98P87.4Confident87.4Confident7 Ų750.6 Ų50.65%0.04529%0.287CS..Hα-helixtrans-63.9-28-178-2436000113.1A53 L57 F94 H100 V101 A102A53-P98 HydrophobicContact CB-CB 3.98Å; L57-P98 HydrophobicContact CB-CB 4.47Å; L57-P98 HydrophobicContact CD2-CB 4.03Å; L57-P98 HydrophobicContact CD2-CG 4.19Å; F94-P98 VanDerWaalsContact O-N 3.13Å; P98-H100 PolarHBondContact O-N 2.98Å; P98-V101 WeakPolarHBondContact O-CG1 3.19Å; P98-V101 PolarHBondContact O-N 2.93Å; P98-A102 PolarHBondContact O-N 3.41Å
99M89.8Confident87.6Confident44 Ų4443.4 Ų43.422%0.21726%0.256CS..Hα-helixtrans-60-37.2176.8-67.6-75.2-80.900112S47 N48 E50 A53 N97 V101 A102 V103S47-M99 VanDerWaalsContact C-CE 3.43Å; S47-M99 WeakPolarHBondContact O-CE 3.47Å; N48-M99 VanDerWaalsContact C-CE 3.49Å; E50-M99 WeakPolarHBondContact CA-SD 3.35Å; E50-M99 HydrophobicContact CB-CG 4.12Å; E50-M99 HydrophobicContact CB-SD 4.2Å; E50-M99 HydrophobicContact CG-CG 4.34Å; E50-M99 PolarHBondContact N-SD 2.6Å; A53-M99 HydrophobicContact CB-CG 4.23Å; A53-M99 HydrophobicContact CB-SD 3.78Å; N97-M99 PolarHBondContact O-N 3.49Å; M99-V101 VanDerWaalsContact C-N 3.34Å; M99-V101 PolarHBondContact O-N 2.94Å; M99-A102 PolarHBondContact O-N 3.4Å; M99-V103 WeakPolarHBondContact O-CG2 3.46Å; M99-V103 PolarHBondContact O-N 3.47Å
100H88.2Confident87.6Confident87 Ų8744.7 Ų44.740%0.40326%0.256SS..Hα-helixtrans-63.1-37.7179-173.3-128.6000112.3F94 N97 P98 A102 V103 V104F94-H100 HydrophobicContact CD1-CB 4.13Å; F94-H100 AromaticContact CD1-ND1 3.73Å; F94-H100 HydrophobicContact CE1-CB 4.26Å; F94-H100 AromaticContact CE1-CE1 3.94Å; F94-H100 AromaticContact CE1-CG 3.94Å; F94-H100 AromaticContact CE1-ND1 3.24Å; F94-H100 WeakPolarHBondContact CE1-ND1 3.45Å; N97-H100 HydrophobicContact CB-CB 4.31Å; N97-H100 WeakPolarHBondContact O-CB 3.33Å; N97-H100 PolarHBondContact O-N 3.35Å; N97-H100 PolarHBondContact OD1-N 3.25Å; P98-H100 PolarHBondContact O-N 2.98Å; H100-A102 VanDerWaalsContact C-N 3.33Å; H100-A102 PolarHBondContact O-N 2.92Å; H100-V103 PolarHBondContact O-N 3.23Å; H100-V104 VanDerWaalsContact O-CG2 3.28Å; H100-V104 WeakPolarHBondContact O-CG2 3.36Å; H100-V104 PolarHBondContact O-N 2.96Å
101V89.3Confident87.7Confident0 Ų047.4 Ų47.40%027%0.269CS..Hα-helixtrans-66.3-38176.568.50000111.5L57 F94 P98 M99 V104 I105L57-V101 HydrophobicContact CB-CG1 4.17Å; L57-V101 HydrophobicContact CD1-CG1 4Å; L57-V101 HydrophobicContact CG-CG1 4.46Å; F94-V101 HydrophobicContact CB-CB 4.09Å; F94-V101 HydrophobicContact CB-CG1 4.43Å; F94-V101 HydrophobicContact CD1-CB 3.58Å; F94-V101 HydrophobicContact CD1-CG2 4.39Å; F94-V101 HydrophobicContact CD2-CB 4.16Å; F94-V101 HydrophobicContact CD2-CG2 4.2Å; F94-V101 HydrophobicContact CE1-CB 3.91Å; F94-V101 HydrophobicContact CE1-CG2 4.43Å; F94-V101 HydrophobicContact CE2-CB 4.49Å; F94-V101 HydrophobicContact CE2-CG2 4.31Å; F94-V101 HydrophobicContact CG-CB 3.7Å; F94-V101 HydrophobicContact CG-CG2 4.26Å; F94-V101 HydrophobicContact CZ-CB 4.37Å; F94-V101 HydrophobicContact CZ-CG2 4.41Å; P98-V101 WeakPolarHBondContact O-CG1 3.19Å; P98-V101 PolarHBondContact O-N 2.93Å; M99-V101 VanDerWaalsContact C-N 3.34Å; M99-V101 PolarHBondContact O-N 2.94Å; V101-V104 PolarHBondContact O-N 2.74Å; V101-I105 HydrophobicContact CG2-CD1 3.77Å; V101-I105 HydrophobicContact CG2-CG1 4.2Å; V101-I105 WeakPolarHBondContact O-CG1 3.44Å; V101-I105 PolarHBondContact O-N 2.84Å
102A91Very high88Confident0 Ų043.1 Ų43.10%025%0.248CC..Hα-helixtrans-65.4-41.6178.200000111.5W43 A46 A53 P98 M99 H100 S106W43-A102 HydrophobicContact CE3-CB 4.15Å; A46-A102 HydrophobicContact CB-CB 3.81Å; A53-A102 HydrophobicContact CB-CB 4.41Å; P98-A102 PolarHBondContact O-N 3.41Å; M99-A102 PolarHBondContact O-N 3.4Å; H100-A102 VanDerWaalsContact C-N 3.33Å; H100-A102 PolarHBondContact O-N 2.92Å; A102-S106 WeakPolarHBondContact O-CB 3.5Å; A102-S106 PolarHBondContact O-N 2.83Å
103V89.3Confident88.1Confident54 Ų5443 Ų4333%0.32723%0.227SC..Hα-helixtrans-59.2-48.5172.7172.60000111M99 H100 N107M99-V103 WeakPolarHBondContact O-CG2 3.46Å; M99-V103 PolarHBondContact O-N 3.47Å; H100-V103 PolarHBondContact O-N 3.23Å; V103-N107 WeakPolarHBondContact CG1-ND2 3.24Å; V103-N107 VanDerWaalsContact O-CB 3.31Å; V103-N107 WeakPolarHBondContact O-CB 3.35Å; V103-N107 PolarHBondContact O-N 2.91Å; V103-N107 PolarHBondContact O-ND2 3.41Å; V103-N107 PolarHBondContact O-OD1 3.32Å
104V89.7Confident88.3Confident22 Ų2241 Ų4113%0.13322%0.217CC..Hα-helixtrans-61.5-51.8-178.5172.90000110.9F26 H100 V101 S106 N107 C108F26-V104 HydrophobicContact CB-CG1 3.59Å; F26-V104 HydrophobicContact CG-CG1 4.42Å; H100-V104 VanDerWaalsContact O-CG2 3.28Å; H100-V104 WeakPolarHBondContact O-CG2 3.36Å; H100-V104 PolarHBondContact O-N 2.96Å; V101-V104 PolarHBondContact O-N 2.74Å; V104-S106 PolarHBondContact O-N 3.38Å; V104-N107 PolarHBondContact O-N 2.92Å; V104-C108 PolarHBondContact O-N 3.47Å; V104-C108 PolarHBondContact O-SG 3.37Å
105I92.3Very high88.3Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-63.6-43.5-178.8-63.6175.1000111.1F26 I38 W43 L60 V101 N107 C108 L109F26-I105 HydrophobicContact CD1-CG1 4.39Å; F26-I105 HydrophobicContact CD2-CD1 4.24Å; F26-I105 HydrophobicContact CD2-CG1 3.82Å; F26-I105 HydrophobicContact CE1-CG1 4.21Å; F26-I105 HydrophobicContact CE2-CD1 3.75Å; F26-I105 HydrophobicContact CE2-CG1 3.62Å; F26-I105 HydrophobicContact CG-CG1 4.21Å; F26-I105 HydrophobicContact CZ-CD1 4.16Å; F26-I105 HydrophobicContact CZ-CG1 3.83Å; F26-I105 HydrophobicContact CZ-CG2 4.39Å; I38-I105 HydrophobicContact CG2-CG2 3.72Å; W43-I105 HydrophobicContact CD2-CB 4.02Å; W43-I105 HydrophobicContact CD2-CD1 4.29Å; W43-I105 HydrophobicContact CD2-CG2 3.71Å; W43-I105 HydrophobicContact CE3-CB 4.29Å; W43-I105 HydrophobicContact CE3-CD1 4.08Å; W43-I105 HydrophobicContact CE3-CG2 4.43Å; W43-I105 HydrophobicContact CG-CB 4.23Å; W43-I105 HydrophobicContact CG-CG2 3.75Å; W43-I105 HydrophobicContact CH2-CD1 3.64Å; W43-I105 HydrophobicContact CZ2-CD1 3.87Å; W43-I105 HydrophobicContact CZ2-CG2 4.27Å; W43-I105 HydrophobicContact CZ3-CD1 3.75Å; L60-I105 HydrophobicContact CD2-CD1 4.1Å; V101-I105 HydrophobicContact CG2-CD1 3.77Å; V101-I105 HydrophobicContact CG2-CG1 4.2Å; V101-I105 WeakPolarHBondContact O-CG1 3.44Å; V101-I105 PolarHBondContact O-N 2.84Å; I105-N107 VanDerWaalsContact C-N 3.31Å; I105-N107 PolarHBondContact O-N 2.78Å; I105-C108 PolarHBondContact O-N 3.41Å; I105-L109 HydrophobicContact CG2-CD1 4.11Å; I105-L109 HydrophobicContact CG2-CG 4.35Å; I105-L109 WeakPolarHBondContact O-CG 3.4Å; I105-L109 PolarHBondContact O-N 2.87Å
106S90.2Very high88.6Confident7 Ų735 Ų355%0.04919%0.189CC..Hα-helixtrans-58.7-43.2176-179.60000111.7A102 V104 L109 R110A102-S106 WeakPolarHBondContact O-CB 3.5Å; A102-S106 PolarHBondContact O-N 2.83Å; V104-S106 PolarHBondContact O-N 3.38Å; S106-L109 PolarHBondContact O-N 2.82Å; S106-R110 VanDerWaalsContact O-CB 3.31Å; S106-R110 WeakPolarHBondContact O-CB 3.48Å; S106-R110 PolarHBondContact O-N 2.88Å
107N88.4Confident88.8Confident65 Ų6532 Ų3235%0.34816%0.158SC..Hα-helixtrans-63.5-45.4176.8-69.2-18.9000111.9V103 V104 I105 R110 E111V103-N107 WeakPolarHBondContact CG1-ND2 3.24Å; V103-N107 VanDerWaalsContact O-CB 3.31Å; V103-N107 WeakPolarHBondContact O-CB 3.35Å; V103-N107 PolarHBondContact O-N 2.91Å; V103-N107 PolarHBondContact O-ND2 3.41Å; V103-N107 PolarHBondContact O-OD1 3.32Å; V104-N107 PolarHBondContact O-N 2.92Å; I105-N107 VanDerWaalsContact C-N 3.31Å; I105-N107 PolarHBondContact O-N 2.78Å; N107-R110 PolarHBondContact O-N 2.99Å; N107-R110 PolarHBondContact OD1-NH2 2.96Å; N107-E111 WeakPolarHBondContact O-CB 3.26Å; N107-E111 PolarHBondContact O-N 3.24Å
108C91.4Very high88.5Confident10 Ų1029.4 Ų29.47%0.06815%0.147CC..Hα-helixtrans-59.9-48.4177-66.20000111.7F21 Y22 F26 V104 I105 R110 E111 E112F21-C108 HydrophobicContact CD2-CB 4.5Å; F21-C108 HydrophobicContact CE2-CB 4.27Å; Y22-C108 HydrophobicContact CE1-CB 4.35Å; F26-C108 HydrophobicContact CD1-CB 4.24Å; V104-C108 PolarHBondContact O-N 3.47Å; V104-C108 PolarHBondContact O-SG 3.37Å; I105-C108 PolarHBondContact O-N 3.41Å; C108-R110 VanDerWaalsContact C-N 3.29Å; C108-R110 PolarHBondContact O-N 3.25Å; C108-E111 PolarHBondContact O-N 3.48Å; C108-E112 WeakPolarHBondContact O-CG 3.31Å; C108-E112 PolarHBondContact O-N 3.22Å
109L91.4Very high88.2Confident13 Ų1330.3 Ų30.37%0.06816%0.155CC..Hα-helixtrans-64.6-33.3178.3-68.1177.2000112.5Q3 I38 E39 I105 S106 R113Q3-L109 PolarHBondContact NE2-O 3.15Å; I38-L109 HydrophobicContact CG2-CD1 4Å; I38-L109 HydrophobicContact CG2-CD2 4.22Å; I38-L109 HydrophobicContact CG2-CG 4.42Å; E39-L109 HydrophobicContact CG-CD2 4.29Å; I105-L109 HydrophobicContact CG2-CD1 4.11Å; I105-L109 HydrophobicContact CG2-CG 4.35Å; I105-L109 WeakPolarHBondContact O-CG 3.4Å; I105-L109 PolarHBondContact O-N 2.87Å; S106-L109 PolarHBondContact O-N 2.82Å; L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 3.47Å; L109-R113 PolarHBondContact O-NE 2.84Å
110R87.4Confident87.8Confident78 Ų7834.1 Ų34.129%0.29418%0.176SC..Hα-helixtrans-70.1-40.2174.9-173.2172.463.8-133.8-5.5111.5S106 N107 C108 R113 R114S106-R110 VanDerWaalsContact O-CB 3.31Å; S106-R110 WeakPolarHBondContact O-CB 3.48Å; S106-R110 PolarHBondContact O-N 2.88Å; N107-R110 PolarHBondContact O-N 2.99Å; N107-R110 PolarHBondContact OD1-NH2 2.96Å; C108-R110 VanDerWaalsContact C-N 3.29Å; C108-R110 PolarHBondContact O-N 3.25Å; R110-R113 PolarHBondContact O-N 2.99Å; R110-R114 PolarHBondContact O-N 3.37Å
111E87.1Confident87.4Confident59 Ų5932.1 Ų32.128%0.27617%0.168SC..Hα-helixtrans-69.1-39.1179.1-167.658.4-158.200112F21 N107 C108 R113 R114 I115F21-E111 HydrophobicContact CD1-CB 4.47Å; F21-E111 HydrophobicContact CD1-CG 3.7Å; F21-E111 HydrophobicContact CE1-CB 4.18Å; F21-E111 HydrophobicContact CE1-CG 3.6Å; F21-E111 HydrophobicContact CE2-CB 4.36Å; F21-E111 HydrophobicContact CG-CG 4.23Å; F21-E111 HydrophobicContact CZ-CB 4.15Å; F21-E111 HydrophobicContact CZ-CG 4.09Å; N107-E111 WeakPolarHBondContact O-CB 3.26Å; N107-E111 PolarHBondContact O-N 3.24Å; C108-E111 PolarHBondContact O-N 3.48Å; E111-R113 PolarHBondContact O-N 3.4Å; E111-R114 VanDerWaalsContact CD-NE 3.31Å; E111-R114 WeakPolarHBondContact O-CA 3.4Å; E111-R114 WeakPolarHBondContact O-CB 3.44Å; E111-R114 PolarHBondContact O-N 2.93Å; E111-R114 VanDerWaalsContact O-N 3.14Å; E111-R114 IonicContact OE1-CZ 3.16Å; E111-R114 IonicContact OE1-NE 2.68Å; E111-R114 PolarHBondContact OE1-NE 3.33Å; E111-R114 IonicContact OE1-NH2 3.08Å; E111-R114 PolarHBondContact OE1-NH2 2.9Å; E111-R114 IonicContact OE2-NE 3.26Å; E111-R114 PolarHBondContact OE2-NE 3.45Å; E111-I115 WeakPolarHBondContact O-CG1 3.47Å; E111-I115 PolarHBondContact O-N 3.48Å
112E90.9Very high86.8Confident0 Ų036.6 Ų36.60%020%0.197CC..Hα-helixtrans-57.4-47.5169.5-77.9-180-173.700112.4Q3 W4 V7 F21 Y22 R31 C108 R114 I115 L116Q3-E112 PolarHBondContact NE2-OE2 3.3Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.33Å; V7-E112 HydrophobicContact CG2-CB 4.15Å; V7-E112 HydrophobicContact CG2-CG 4.12Å; F21-E112 HydrophobicContact CE2-CG 4.36Å; F21-E112 HydrophobicContact CZ-CG 3.93Å; Y22-E112 PolarHBondContact OH-OE1 3.46Å; R31-E112 IonicContact CZ-OE1 3.97Å; R31-E112 IonicContact CZ-OE2 3.9Å; R31-E112 IonicContact NE-OE1 2.69Å; R31-E112 PolarHBondContact NE-OE1 3.33Å; R31-E112 IonicContact NE-OE2 2.76Å; R31-E112 PolarHBondContact NE-OE2 2.98Å; R31-E112 IonicContact NH2-OE1 3.49Å; R31-E112 IonicContact NH2-OE2 3.37Å; R31-E112 PolarHBondContact NH2-OE2 3Å; C108-E112 WeakPolarHBondContact O-CG 3.31Å; C108-E112 PolarHBondContact O-N 3.22Å; E112-R114 PolarHBondContact O-N 3.02Å; E112-I115 PolarHBondContact O-N 3.36Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; E112-L116 PolarHBondContact O-N 3.04Å
113R88.6Confident86Confident64 Ų6439.6 Ų39.624%0.24222%0.215CC..Hα-helixtrans-60.6-37.4175.5-75.9-177.2-73.5-179.1-4.8111.6Q3 L109 R110 E111 L116 A117 I570Q3-R113 VanDerWaalsContact OE1-CG 3.28Å; L109-R113 WeakPolarHBondContact O-CG 3.39Å; L109-R113 PolarHBondContact O-N 3.47Å; L109-R113 PolarHBondContact O-NE 2.84Å; R110-R113 PolarHBondContact O-N 2.99Å; E111-R113 PolarHBondContact O-N 3.4Å; R113-L116 PolarHBondContact O-N 2.81Å; R113-A117 VanDerWaalsContact O-CB 3.28Å; R113-A117 WeakPolarHBondContact O-CB 3.42Å; R113-A117 PolarHBondContact O-N 2.87Å; R113-I570 HydrophobicContact CB-CG2 4.22Å
114R87.3Confident85.1Confident52 Ų5238.7 Ų38.720%0.19621%0.207CC..Hα-helixtrans-59.9-48174.3-162.1-169.670.477.93.5111.2R110 E111 E112 A117 A118R110-R114 PolarHBondContact O-N 3.37Å; E111-R114 VanDerWaalsContact CD-NE 3.31Å; E111-R114 WeakPolarHBondContact O-CA 3.4Å; E111-R114 WeakPolarHBondContact O-CB 3.44Å; E111-R114 PolarHBondContact O-N 2.93Å; E111-R114 VanDerWaalsContact O-N 3.14Å; E111-R114 IonicContact OE1-CZ 3.16Å; E111-R114 IonicContact OE1-NE 2.68Å; E111-R114 PolarHBondContact OE1-NE 3.33Å; E111-R114 IonicContact OE1-NH2 3.08Å; E111-R114 PolarHBondContact OE1-NH2 2.9Å; E111-R114 IonicContact OE2-NE 3.26Å; E111-R114 PolarHBondContact OE2-NE 3.45Å; E112-R114 PolarHBondContact O-N 3.02Å; R114-A117 PolarHBondContact O-N 2.99Å; R114-A118 WeakPolarHBondContact O-CB 3.34Å; R114-A118 PolarHBondContact O-N 3.14Å
115I85.4Confident84.5Confident0 Ų038.1 Ų38.10%021%0.206CC..Hα-helixtrans-66.1-43.6179.7-68.4172.4000111L10 F14 Q17 V18 F21 E111 E112 A117 A118 A119L10-I115 HydrophobicContact CD1-CG2 3.76Å; F14-I115 HydrophobicContact CB-CG2 3.92Å; F14-I115 HydrophobicContact CD1-CG2 4.04Å; F14-I115 HydrophobicContact CG-CG2 4.34Å; Q17-I115 HydrophobicContact CB-CD1 3.84Å; V18-I115 HydrophobicContact CG2-CD1 3.77Å; V18-I115 HydrophobicContact CG2-CG2 4.38Å; F21-I115 HydrophobicContact CE1-CD1 3.59Å; F21-I115 HydrophobicContact CZ-CD1 4.38Å; E111-I115 WeakPolarHBondContact O-CG1 3.47Å; E111-I115 PolarHBondContact O-N 3.48Å; E112-I115 PolarHBondContact O-N 3.36Å; I115-A117 VanDerWaalsContact C-N 3.33Å; I115-A117 PolarHBondContact O-N 3.29Å; I115-A118 PolarHBondContact O-N 3.24Å; I115-A119 WeakPolarHBondContact O-CB 3.32Å; I115-A119 PolarHBondContact O-N 2.98Å
116L87.9Confident83.8Confident12 Ų1242.3 Ų42.36%0.06323%0.233CC..Hα-helixtrans-59.7-44.2174.8-72.7170.7000111.6Q3 Q6 V7 L10 E112 R113 A118 A119 N120Q3-L116 HydrophobicContact CG-CD1 3.82Å; Q6-L116 HydrophobicContact CB-CD1 4.19Å; Q6-L116 HydrophobicContact CB-CD2 3.71Å; V7-L116 HydrophobicContact CG2-CD1 3.98Å; V7-L116 HydrophobicContact CG2-CD2 4.13Å; V7-L116 HydrophobicContact CG2-CG 4.03Å; L10-L116 HydrophobicContact CD1-CD2 4.02Å; L10-L116 HydrophobicContact CD2-CD2 4.13Å; L10-L116 HydrophobicContact CG-CD2 4.22Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; E112-L116 PolarHBondContact O-N 3.04Å; R113-L116 PolarHBondContact O-N 2.81Å; L116-A118 VanDerWaalsContact C-N 3.32Å; L116-A118 PolarHBondContact O-N 2.92Å; L116-A119 PolarHBondContact O-N 3.31Å; L116-N120 WeakPolarHBondContact O-CB 3.5Å; L116-N120 PolarHBondContact O-N 2.9Å; L116-N120 PolarHBondContact O-ND2 2.87Å; L116-N120 VanDerWaalsContact O-ND2 3.17Å
117A84.4Confident83.3Confident18 Ų1843 Ų4315%0.14924%0.236CC..Hα-helixtrans-61.8-42175.900000111.3R113 R114 I115 M121 R508 I570R113-A117 VanDerWaalsContact O-CB 3.28Å; R113-A117 WeakPolarHBondContact O-CB 3.42Å; R113-A117 PolarHBondContact O-N 2.87Å; R114-A117 PolarHBondContact O-N 2.99Å; I115-A117 VanDerWaalsContact C-N 3.33Å; I115-A117 PolarHBondContact O-N 3.29Å; A117-M121 WeakPolarHBondContact O-CG 3.31Å; A117-R508 HydrophobicContact CB-CB 4.41Å; A117-R508 HydrophobicContact CB-CG 4.47Å; A117-I570 HydrophobicContact CB-CG2 4.44Å
118A80.8Confident82.8Confident25 Ų2541.2 Ų41.221%0.20723%0.226CC..Hα-helixtrans-65.6-41.6176.200000112.7R114 I115 L116 N120 M121R114-A118 WeakPolarHBondContact O-CB 3.34Å; R114-A118 PolarHBondContact O-N 3.14Å; I115-A118 PolarHBondContact O-N 3.24Å; L116-A118 VanDerWaalsContact C-N 3.32Å; L116-A118 PolarHBondContact O-N 2.92Å; A118-N120 VanDerWaalsContact C-N 3.33Å; A118-N120 PolarHBondContact O-N 2.66Å; A118-M121 WeakPolarHBondContact O-CB 3.47Å; A118-M121 PolarHBondContact O-N 3.02Å
119A82.3Confident82.3Confident26 Ų2647.1 Ų47.122%0.21525%0.25CS..Hα-helixtrans-68.7-30.1-179.800000113.4L10 F14 I115 L116 M121L10-A119 HydrophobicContact CD2-CB 3.42Å; L10-A119 VanDerWaalsContact CD2-CB 3.42Å; F14-A119 HydrophobicContact CD1-CB 4.33Å; F14-A119 HydrophobicContact CD2-CB 3.89Å; F14-A119 HydrophobicContact CE1-CB 4.16Å; F14-A119 HydrophobicContact CE2-CB 3.69Å; F14-A119 HydrophobicContact CG-CB 4.2Å; F14-A119 HydrophobicContact CZ-CB 3.85Å; I115-A119 WeakPolarHBondContact O-CB 3.32Å; I115-A119 PolarHBondContact O-N 2.98Å; L116-A119 PolarHBondContact O-N 3.31Å; A119-M121 VanDerWaalsContact C-N 3.27Å; A119-M121 PolarHBondContact O-N 3.19Å
120N81.7Confident81.6Confident125 Ų12550.1 Ų50.167%0.66827%0.272SS*.THydrogen-bonded Turntrans-80.2-5.5176.6-72.6-31.9000113.5L116 A118L116-N120 WeakPolarHBondContact O-CB 3.5Å; L116-N120 PolarHBondContact O-N 2.9Å; L116-N120 PolarHBondContact O-ND2 2.87Å; L116-N120 VanDerWaalsContact O-ND2 3.17Å; A118-N120 VanDerWaalsContact C-N 3.33Å; A118-N120 PolarHBondContact O-N 2.66Å
121M78.9Confident80.8Confident45 Ų4547.6 Ų47.622%0.22226%0.264CS..SBendtrans-74.6131.7175.4-68.7-59.1-64.300110.1A117 A118 A119 Q124 R508 L510A117-M121 WeakPolarHBondContact O-CG 3.31Å; A118-M121 WeakPolarHBondContact O-CB 3.47Å; A118-M121 PolarHBondContact O-N 3.02Å; A119-M121 VanDerWaalsContact C-N 3.27Å; A119-M121 PolarHBondContact O-N 3.19Å; M121-Q124 VanDerWaalsContact CE-NE2 3.26Å; M121-R508 HydrophobicContact SD-CG 4.28Å; M121-L510 WeakPolarHBondContact CE-O 3.4Å
122P75.6Confident80Confident93 Ų9348.3 Ų48.360%0.60427%0.268SS*.PPolyproline II helixtrans-64.5154.7170.929.3-34.5000109.9Q124P122-Q124 PolarHBondContact O-N 3.4Å; P122-Q124 PolarHBondContact O-NE2 3.44Å; P122-Q124 VanDerWaalsContact O-NE2 3.07Å
123V75.1Confident78.9Confident64 Ų6450 Ų5039%0.38828%0.28SS..PPolyproline II helixtrans-53.9123.6173.9-176.70000109.4G125 E128 K129V123-G125 PolarHBondContact O-N 2.76Å; V123-E128 HydrophobicContact CG1-CB 3.76Å; V123-E128 HydrophobicContact CG1-CG 3.71Å; V123-K129 HydrophobicContact CB-CG 4.31Å; V123-K129 HydrophobicContact CG1-CB 4.44Å; V123-K129 HydrophobicContact CG1-CD 4.48Å; V123-K129 HydrophobicContact CG1-CG 3.45Å; V123-K129 VanDerWaalsContact CG1-CG 3.45Å
124Q69.4Low77.6Confident34 Ų3451.9 Ų51.916%0.15930%0.303CS..  trans-75.2-26.4-160.9-67.3-67.6-43.200113.5M121 P122 E128 E496 S499 L510M121-Q124 VanDerWaalsContact CE-NE2 3.26Å; P122-Q124 PolarHBondContact O-N 3.4Å; P122-Q124 PolarHBondContact O-NE2 3.44Å; P122-Q124 VanDerWaalsContact O-NE2 3.07Å; Q124-E128 WeakPolarHBondContact CB-OE2 3.47Å; Q124-E128 PolarHBondContact N-OE2 3.34Å; Q124-E496 HydrophobicContact CB-CG 3.86Å; Q124-S499 PolarHBondContact OE1-OG 3.22Å; Q124-L510 PolarHBondContact NE2-O 2.86Å; Q124-L510 PolarHBondContact OE1-O 3.48Å; Q124-L510 VanDerWaalsContact OE1-O 3.09Å
125G77.1Confident76.5Confident11 Ų1152.8 Ų52.811%0.11332%0.317CS..SBendtrans-175.1-172.617900000115.2V123 L127 K129 E496V123-G125 PolarHBondContact O-N 2.76Å; G125-L127 VanDerWaalsContact C-N 3.28Å; G125-L127 PolarHBondContact O-N 3.21Å; G125-K129 WeakPolarHBondContact O-CG 3.34Å; G125-K129 PolarHBondContact O-N 2.82Å; G125-E496 WeakPolarHBondContact CA-OE1 3.4Å; G125-E496 WeakPolarHBondContact CA-OE2 3.39Å; G125-E496 PolarHBondContact N-OE1 3.22Å; G125-E496 VanDerWaalsContact N-OE1 3.15Å
126P78Confident75.8Confident87 Ų8754 Ų5457%0.56533%0.325SS*.Hα-helixtrans-63.5-30.8-179-2133.1000113.4S130P126-S130 WeakPolarHBondContact O-CB 3.19Å; P126-S130 PolarHBondContact O-N 3.15Å
127L79.4Confident75.1Confident21 Ų2155.7 Ų55.711%0.1134%0.337CS..Hα-helixtrans-68.1-50.1-178.3-175.958.4000109.8G125 K129 S130 L131 I244 E496 W500G125-L127 VanDerWaalsContact C-N 3.28Å; G125-L127 PolarHBondContact O-N 3.21Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 3Å; L127-S130 PolarHBondContact O-N 2.77Å; L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.5Å; L127-L131 PolarHBondContact O-N 2.92Å; L127-L131 VanDerWaalsContact O-N 3.12Å; L127-I244 HydrophobicContact CD2-CD1 4.01Å; L127-E496 VanDerWaalsContact CB-OE2 3.23Å; L127-E496 WeakPolarHBondContact CB-OE2 3.27Å; L127-E496 PolarHBondContact N-OE2 2.98Å; L127-W500 HydrophobicContact CB-CH2 4.48Å; L127-W500 HydrophobicContact CD2-CH2 3.68Å; L127-W500 HydrophobicContact CD2-CZ3 4.18Å; L127-W500 HydrophobicContact CG-CH2 4.04Å
128E79.4Confident74.9Confident28 Ų2861.5 Ų61.513%0.13136%0.361CS..Hα-helixtrans-60.1-42.4175.6-170.8170.9-173.500112V123 Q124 S130 L131 Q132 P250 E496 W500V123-E128 HydrophobicContact CG1-CB 3.76Å; V123-E128 HydrophobicContact CG1-CG 3.71Å; Q124-E128 WeakPolarHBondContact CB-OE2 3.47Å; Q124-E128 PolarHBondContact N-OE2 3.34Å; E128-S130 VanDerWaalsContact C-N 3.33Å; E128-S130 PolarHBondContact O-N 2.75Å; E128-L131 PolarHBondContact O-N 3.29Å; E128-Q132 HydrophobicContact CG-CG 4.48Å; E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 3.1Å; E128-Q132 PolarHBondContact OE1-NE2 3.23Å; E128-P250 HydrophobicContact CG-CG 4.14Å; E128-E496 WeakPolarHBondContact CA-OE1 3.44Å; E128-E496 WeakPolarHBondContact CB-OE1 3.31Å; E128-E496 PolarHBondContact N-OE1 3.09Å; E128-W500 HydrophobicContact CB-CZ2 4.11Å
129K79.9Confident75Confident134 Ų13463.8 Ų63.858%0.58336%0.364SS*.Hα-helixtrans-59.6-42.9176.5-74.5179.6-176179.90112.4V123 G125 L127 L131 Q132 S133V123-K129 HydrophobicContact CB-CG 4.31Å; V123-K129 HydrophobicContact CG1-CB 4.44Å; V123-K129 HydrophobicContact CG1-CD 4.48Å; V123-K129 HydrophobicContact CG1-CG 3.45Å; V123-K129 VanDerWaalsContact CG1-CG 3.45Å; G125-K129 WeakPolarHBondContact O-CG 3.34Å; G125-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 3Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-Q132 PolarHBondContact O-N 2.94Å; K129-S133 PolarHBondContact O-N 3.08Å
130S76.4Confident75Confident77 Ų7763.4 Ų63.454%0.53836%0.358SS..Hα-helixtrans-62.8-43.2177.6175.60000111.1P126 L127 E128 Q132 S133P126-S130 WeakPolarHBondContact O-CB 3.19Å; P126-S130 PolarHBondContact O-N 3.15Å; L127-S130 PolarHBondContact O-N 2.77Å; E128-S130 VanDerWaalsContact C-N 3.33Å; E128-S130 PolarHBondContact O-N 2.75Å; S130-Q132 VanDerWaalsContact C-N 3.33Å; S130-Q132 PolarHBondContact O-N 3.37Å; S130-S133 PolarHBondContact O-N 2.7Å; S130-S133 PolarHBondContact O-OG 2.88Å
131L72.3Confident75.2Confident24 Ų2464.7 Ų64.713%0.12635%0.353CS..Hα-helixtrans-69.1-27-178.8-63.9177.6000113.9L127 E128 K129 R241 I244L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.5Å; L127-L131 PolarHBondContact O-N 2.92Å; L127-L131 VanDerWaalsContact O-N 3.12Å; E128-L131 PolarHBondContact O-N 3.29Å; K129-L131 VanDerWaalsContact C-N 3.34Å; L131-R241 HydrophobicContact CD2-CG 3.75Å; L131-I244 HydrophobicContact CD1-CB 4.18Å; L131-I244 HydrophobicContact CD1-CG1 4.32Å; L131-I244 HydrophobicContact CD1-CG2 3.75Å
132Q69.8Low75.7Confident75 Ų7566.1 Ų66.135%0.3536%0.362SS..THydrogen-bonded Turntrans-104.110.2-178.1-62.9-179.121.800113.7E128 K129 S130E128-Q132 HydrophobicContact CG-CG 4.48Å; E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 3.1Å; E128-Q132 PolarHBondContact OE1-NE2 3.23Å; K129-Q132 PolarHBondContact O-N 2.94Å; S130-Q132 VanDerWaalsContact C-N 3.33Å; S130-Q132 PolarHBondContact O-N 3.37Å
133S66.9Low76.4Confident36 Ų3661.9 Ų61.925%0.25233%0.334SS..  trans-68144.5-174.160.50000113.4K129 S130 S135 V136K129-S133 PolarHBondContact O-N 3.08Å; S130-S133 PolarHBondContact O-N 2.7Å; S130-S133 PolarHBondContact O-OG 2.88Å; S133-S135 PolarHBondContact O-N 2.98Å; S133-S135 PolarHBondContact OG-OG 2.92Å; S133-S135 VanDerWaalsContact OG-OG 3.11Å; S133-V136 PolarHBondContact O-N 2.85Å; S133-V136 VanDerWaalsContact O-N 3.11Å; S133-V136 WeakPolarHBondContact OG-CG2 3.38Å
134S61.6Low77.2Confident103 Ų10362 Ų6272%0.7233%0.331SS*.Hα-helixtrans-60.7-27.5178.857.70000113.2V136 S137 E138S134-V136 VanDerWaalsContact C-N 3.29Å; S134-V136 PolarHBondContact O-N 2.92Å; S134-S137 PolarHBondContact O-N 2.94Å; S134-E138 PolarHBondContact O-N 3.36Å; S134-E138 VanDerWaalsContact O-N 3.11Å
135S64.9Low78.3Confident70 Ų7066.9 Ų66.949%0.4935%0.353SS..Hα-helixtrans-62.6-32.4176.147.90000113S133 E138 R139S133-S135 PolarHBondContact O-N 2.98Å; S133-S135 PolarHBondContact OG-OG 2.92Å; S133-S135 VanDerWaalsContact OG-OG 3.11Å; S135-E138 PolarHBondContact O-N 3.21Å; S135-R139 VanDerWaalsContact O-CB 3.32Å; S135-R139 WeakPolarHBondContact O-CB 3.49Å; S135-R139 PolarHBondContact O-N 3.02Å
136V70.4Confident79.1Confident27 Ų2770.5 Ų70.516%0.16437%0.366CS..Hα-helixtrans-66.5-41.7176.21750000110.7S133 S134 R139 Q140S133-V136 PolarHBondContact O-N 2.85Å; S133-V136 VanDerWaalsContact O-N 3.11Å; S133-V136 WeakPolarHBondContact OG-CG2 3.38Å; S134-V136 VanDerWaalsContact C-N 3.29Å; S134-V136 PolarHBondContact O-N 2.92Å; V136-R139 PolarHBondContact O-N 3.25Å; V136-Q140 WeakPolarHBondContact O-CG 3.5Å; V136-Q140 PolarHBondContact O-N 3.34Å; V136-Q140 VanDerWaalsContact O-N 3.07Å
137S73.8Confident80Confident46 Ų4666.4 Ų66.432%0.32234%0.339SS..Hα-helixtrans-67.9-38.8177.6-172.60000112.3S134 Q140 R141S134-S137 PolarHBondContact O-N 2.94Å; S137-Q140 PolarHBondContact O-N 3.43Å; S137-R141 WeakPolarHBondContact O-CG 3.29Å; S137-R141 PolarHBondContact O-N 2.93Å; S137-R141 VanDerWaalsContact O-N 3.14Å
138E80.2Confident80.7Confident141 Ų14167.3 Ų67.366%0.65935%0.35SS*.Hα-helixtrans-65.3-42.4176.1-172.4175.5-17300111.8S134 S135 Q140 R141 N142S134-E138 PolarHBondContact O-N 3.36Å; S134-E138 VanDerWaalsContact O-N 3.11Å; S135-E138 PolarHBondContact O-N 3.21Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; E138-Q140 PolarHBondContact O-N 3.43Å; E138-R141 PolarHBondContact O-N 3.04Å; E138-N142 PolarHBondContact O-N 3.47Å
139R82.3Confident81.5Confident73 Ų7368.4 Ų68.428%0.27536%0.363SS..Hα-helixtrans-60.2-43.4175.9-170.4177.7168.816919.8111.9S135 V136 N142 V143 E233 E234 D237S135-R139 VanDerWaalsContact O-CB 3.32Å; S135-R139 WeakPolarHBondContact O-CB 3.49Å; S135-R139 PolarHBondContact O-N 3.02Å; V136-R139 PolarHBondContact O-N 3.25Å; R139-N142 WeakPolarHBondContact O-CB 3.4Å; R139-N142 PolarHBondContact O-N 3.02Å; R139-V143 WeakPolarHBondContact O-CG2 3.34Å; R139-V143 PolarHBondContact O-N 3.26Å; R139-V143 VanDerWaalsContact O-N 3.1Å; R139-E233 IonicContact CZ-OE2 2.72Å; R139-E233 IonicContact NH1-OE2 3.45Å; R139-E233 PolarHBondContact NH1-OE2 2.98Å; R139-E233 VanDerWaalsContact NH2-CB 3.27Å; R139-E233 IonicContact NH2-OE2 3.48Å; R139-E233 PolarHBondContact NH2-OE2 3.04Å; R139-E234 WeakPolarHBondContact CD-OE1 3.47Å; R139-E234 WeakPolarHBondContact CG-OE1 3.41Å; R139-E234 IonicContact CZ-OE1 3.34Å; R139-E234 IonicContact NE-OE1 3.88Å; R139-E234 PolarHBondContact NE-OE1 3.02Å; R139-D237 IonicContact NH1-OD2 3.04Å
140Q82.1Confident82.3Confident17 Ų1762.3 Ų62.38%0.07934%0.337CS..Hα-helixtrans-61.5-46.5176.3-77.9163.9000112.6V136 S137 E138 N142 V143 E144 E234V136-Q140 WeakPolarHBondContact O-CG 3.5Å; V136-Q140 PolarHBondContact O-N 3.34Å; V136-Q140 VanDerWaalsContact O-N 3.07Å; S137-Q140 PolarHBondContact O-N 3.43Å; E138-Q140 VanDerWaalsContact C-N 3.35Å; E138-Q140 PolarHBondContact O-N 3.43Å; Q140-N142 VanDerWaalsContact C-N 3.29Å; Q140-N142 PolarHBondContact O-N 2.87Å; Q140-V143 WeakPolarHBondContact O-CB 3.28Å; Q140-V143 PolarHBondContact O-N 3.16Å; Q140-V143 VanDerWaalsContact O-N 3.16Å; Q140-E144 PolarHBondContact O-N 3.04Å; Q140-E234 WeakPolarHBondContact CG-OE2 3.45Å; Q140-E234 PolarHBondContact NE2-OE2 3.32Å; Q140-E234 VanDerWaalsContact NE2-OE2 3.07Å
141R85.1Confident83.2Confident152 Ų15261.6 Ų61.657%0.57432%0.324SS*.Hα-helixtrans-61.3-38.5176.1-68.7179-162.5168.66.3112.2S137 E138 V143 E144 H145S137-R141 WeakPolarHBondContact O-CG 3.29Å; S137-R141 PolarHBondContact O-N 2.93Å; S137-R141 VanDerWaalsContact O-N 3.14Å; E138-R141 PolarHBondContact O-N 3.04Å; R141-V143 VanDerWaalsContact C-N 3.34Å; R141-V143 PolarHBondContact O-N 3.38Å; R141-E144 PolarHBondContact O-N 3.35Å; R141-H145 PolarHBondContact O-CD2 2.99Å; R141-H145 PolarHBondContact O-N 3.21Å
142N89.4Confident84.4Confident75 Ų7564.9 Ų64.940%0.40134%0.342SS..Hα-helixtrans-62.5-40.7176.5-172.311.4000111.8E138 R139 Q140 H145 K146 M230E138-N142 PolarHBondContact O-N 3.47Å; R139-N142 WeakPolarHBondContact O-CB 3.4Å; R139-N142 PolarHBondContact O-N 3.02Å; Q140-N142 VanDerWaalsContact C-N 3.29Å; Q140-N142 PolarHBondContact O-N 2.87Å; N142-H145 PolarHBondContact O-N 3.43Å; N142-K146 WeakPolarHBondContact O-CG 3.35Å; N142-K146 PolarHBondContact O-N 2.97Å; N142-M230 HydrophobicContact CB-CE 4.3Å
143V90.8Very high85.7Confident4 Ų463.5 Ų63.52%0.02434%0.341CS..Hα-helixtrans-59.9-50173.2176.40000110.6R139 Q140 R141 H145 K146 V147 M230 L231 E234R139-V143 WeakPolarHBondContact O-CG2 3.34Å; R139-V143 PolarHBondContact O-N 3.26Å; R139-V143 VanDerWaalsContact O-N 3.1Å; Q140-V143 WeakPolarHBondContact O-CB 3.28Å; Q140-V143 PolarHBondContact O-N 3.16Å; Q140-V143 VanDerWaalsContact O-N 3.16Å; R141-V143 VanDerWaalsContact C-N 3.34Å; R141-V143 PolarHBondContact O-N 3.38Å; V143-H145 VanDerWaalsContact C-N 3.34Å; V143-H145 PolarHBondContact O-N 3.41Å; V143-K146 PolarHBondContact O-N 2.99Å; V143-V147 HydrophobicContact CG1-CG2 4.25Å; V143-V147 WeakPolarHBondContact O-CG2 3.15Å; V143-V147 PolarHBondContact O-N 3.19Å; V143-M230 HydrophobicContact CG2-CB 3.86Å; V143-M230 HydrophobicContact CG2-CE 3.8Å; V143-L231 HydrophobicContact CG1-CD1 4.1Å; V143-E234 HydrophobicContact CG2-CG 4.16Å
144E91.6Very high87.1Confident68 Ų6861.9 Ų61.932%0.31833%0.329SS..Hα-helixtrans-57.3-45.8179.3-70.2175.2168.500112Q140 R141 K146 V147 A148 Q257Q140-E144 PolarHBondContact O-N 3.04Å; R141-E144 PolarHBondContact O-N 3.35Å; E144-K146 PolarHBondContact O-N 3.35Å; E144-V147 PolarHBondContact O-N 2.74Å; E144-A148 WeakPolarHBondContact O-CB 3.19Å; E144-A148 PolarHBondContact O-N 2.84Å; E144-Q257 WeakPolarHBondContact OE1-CB 3.37Å; E144-Q257 WeakPolarHBondContact OE1-CG 3.33Å
145H92.6Very high88.7Confident135 Ų13561.5 Ų61.563%0.62532%0.316SS*.Hα-helixtrans-60.9-42.4177.5-79.7-59.9000112.7R141 N142 V143 A148 A149R141-H145 PolarHBondContact O-CD2 2.99Å; R141-H145 PolarHBondContact O-N 3.21Å; N142-H145 PolarHBondContact O-N 3.43Å; V143-H145 VanDerWaalsContact C-N 3.34Å; V143-H145 PolarHBondContact O-N 3.41Å; H145-A148 PolarHBondContact O-N 3.01Å; H145-A149 WeakPolarHBondContact O-CB 3.25Å; H145-A149 PolarHBondContact O-N 2.7Å
146K94.3Very high90.2Very high88 Ų8863 Ų6338%0.38332%0.317SS..Hα-helixtrans-69.2-40.1177.6-73-174.3179-173.10112.6N142 V143 E144 A148 A149 I150 L226 M230N142-K146 WeakPolarHBondContact O-CG 3.35Å; N142-K146 PolarHBondContact O-N 2.97Å; V143-K146 PolarHBondContact O-N 2.99Å; E144-K146 PolarHBondContact O-N 3.35Å; K146-A148 VanDerWaalsContact C-N 3.32Å; K146-A148 PolarHBondContact O-N 2.89Å; K146-A149 PolarHBondContact O-N 3.49Å; K146-I150 WeakPolarHBondContact O-CG1 3.36Å; K146-I150 PolarHBondContact O-N 3.09Å; K146-L226 HydrophobicContact CB-CD1 3.69Å; K146-L226 HydrophobicContact CB-CD2 4.13Å; K146-L226 HydrophobicContact CD-CD1 3.8Å; K146-L226 HydrophobicContact CG-CD1 4.41Å; K146-M230 HydrophobicContact CD-CE 4.32Å; K146-M230 HydrophobicContact CD-SD 3.76Å; K146-M230 PolarHBondContact NZ-SD 3.23Å; K146-M230 VanDerWaalsContact NZ-SD 3.37Å
147V96Very high91.4Very high1 Ų161.9 Ų61.91%0.00631%0.31CS..Hα-helixtrans-60.5-44.7174.2173.70000110.4V143 E144 A149 I150 K151 L226 C261 L264V143-V147 HydrophobicContact CG1-CG2 4.25Å; V143-V147 WeakPolarHBondContact O-CG2 3.15Å; V143-V147 PolarHBondContact O-N 3.19Å; E144-V147 PolarHBondContact O-N 2.74Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 3.3Å; V147-I150 PolarHBondContact O-N 2.89Å; V147-K151 PolarHBondContact O-N 2.95Å; V147-L226 HydrophobicContact CG2-CD2 3.68Å; V147-C261 HydrophobicContact CG2-CB 4.11Å; V147-L264 HydrophobicContact CG1-CB 3.57Å; V147-L264 HydrophobicContact CG1-CD1 4.13Å
148A94.8Very high92.4Very high39 Ų3963.4 Ų63.432%0.32231%0.312SS..Hα-helixtrans-63-40.117700000112.2E144 H145 K146 K151 N152E144-A148 WeakPolarHBondContact O-CB 3.19Å; E144-A148 PolarHBondContact O-N 2.84Å; H145-A148 PolarHBondContact O-N 3.01Å; K146-A148 VanDerWaalsContact C-N 3.32Å; K146-A148 PolarHBondContact O-N 2.89Å; A148-K151 PolarHBondContact O-N 2.88Å; A148-N152 VanDerWaalsContact O-CG 3.27Å; A148-N152 PolarHBondContact O-N 2.88Å; A148-N152 PolarHBondContact O-ND2 3.3Å
149A96.1Very high93Very high51 Ų5161.6 Ų61.642%0.42130%0.304SS..Hα-helixtrans-61.6-45.6175.500000112H145 K146 V147 K151 N152 S153H145-A149 WeakPolarHBondContact O-CB 3.25Å; H145-A149 PolarHBondContact O-N 2.7Å; K146-A149 PolarHBondContact O-N 3.49Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 3.3Å; A149-K151 PolarHBondContact O-N 2.73Å; A149-N152 PolarHBondContact O-N 2.99Å; A149-S153 PolarHBondContact O-N 3.32Å; A149-S153 PolarHBondContact O-OG 2.97Å
150I96.8Very high93.5Very high6 Ų660.1 Ų60.13%0.03130%0.301CS..Hα-helixtrans-60.1-45.9175.9-70.8172.9000110.9K146 V147 N152 S153 V154 I219 E222 L226 L265K146-I150 WeakPolarHBondContact O-CG1 3.36Å; K146-I150 PolarHBondContact O-N 3.09Å; V147-I150 PolarHBondContact O-N 2.89Å; I150-N152 VanDerWaalsContact C-N 3.31Å; I150-N152 PolarHBondContact O-N 3.06Å; I150-S153 PolarHBondContact O-N 3.15Å; I150-S153 VanDerWaalsContact O-N 3.16Å; I150-V154 HydrophobicContact CG2-CG2 4.42Å; I150-V154 WeakPolarHBondContact O-CG2 3.31Å; I150-V154 PolarHBondContact O-N 3.49Å; I150-I219 HydrophobicContact CG2-CG2 4.25Å; I150-E222 HydrophobicContact CD1-CB 4.49Å; I150-L226 HydrophobicContact CD1-CB 4.34Å; I150-L226 HydrophobicContact CD1-CD2 3.54Å; I150-L265 HydrophobicContact CD1-CD1 4.36Å; I150-L265 HydrophobicContact CG2-CD1 4.22Å
151K96.6Very high94.1Very high62 Ų6259.5 Ų59.527%0.2730%0.298SS..Hα-helixtrans-57.9-44.6177.6177.8162.3-179.3161.30111.8V147 A148 A149 V154 Q155 L264 E267V147-K151 PolarHBondContact O-N 2.95Å; A148-K151 PolarHBondContact O-N 2.88Å; A149-K151 PolarHBondContact O-N 2.73Å; K151-V154 PolarHBondContact O-N 2.75Å; K151-Q155 PolarHBondContact O-N 2.99Å; K151-L264 HydrophobicContact CD-CB 4.42Å; K151-L264 HydrophobicContact CD-CD2 3.66Å; K151-L264 HydrophobicContact CD-CG 4.48Å; K151-E267 IonicContact NZ-OE2 2.75Å; K151-E267 PolarHBondContact NZ-OE2 2.91Å
152N96.6Very high94.5Very high94 Ų9458.2 Ų58.250%0.50330%0.297SS..Hα-helixtrans-63.1-43.8176.4-68.1-22.9000111.4A148 A149 I150 V154 Q155 M156A148-N152 VanDerWaalsContact O-CG 3.27Å; A148-N152 PolarHBondContact O-N 2.88Å; A148-N152 PolarHBondContact O-ND2 3.3Å; A149-N152 PolarHBondContact O-N 2.99Å; I150-N152 VanDerWaalsContact C-N 3.31Å; I150-N152 PolarHBondContact O-N 3.06Å; N152-V154 PolarHBondContact O-N 3.01Å; N152-Q155 WeakPolarHBondContact O-CB 3.28Å; N152-Q155 PolarHBondContact O-N 3.48Å; N152-M156 WeakPolarHBondContact O-CG 3.33Å; N152-M156 PolarHBondContact O-N 3.4Å
153S97Very high94.7Very high46 Ų4660.2 Ų60.232%0.32230%0.3SS..Hα-helixtrans-60.9-42.1176.8-640000112.5A149 I150 Q155 M156 T157A149-S153 PolarHBondContact O-N 3.32Å; A149-S153 PolarHBondContact O-OG 2.97Å; I150-S153 PolarHBondContact O-N 3.15Å; I150-S153 VanDerWaalsContact O-N 3.16Å; S153-Q155 VanDerWaalsContact C-N 3.32Å; S153-Q155 PolarHBondContact O-N 2.9Å; S153-M156 PolarHBondContact O-N 3.41Å; S153-T157 PolarHBondContact O-N 3.35Å
154V97.1Very high94.9Very high1 Ų160.1 Ų60.11%0.00630%0.299CS..Hα-helixtrans-64.4-36.91761720000111.9I150 K151 N152 M156 T157 E158 I219 Q271 Q275I150-V154 HydrophobicContact CG2-CG2 4.42Å; I150-V154 WeakPolarHBondContact O-CG2 3.31Å; I150-V154 PolarHBondContact O-N 3.49Å; K151-V154 PolarHBondContact O-N 2.75Å; N152-V154 PolarHBondContact O-N 3.01Å; V154-M156 VanDerWaalsContact C-N 3.34Å; V154-T157 PolarHBondContact O-N 3Å; V154-T157 PolarHBondContact O-OG1 3.44Å; V154-E158 PolarHBondContact O-N 3.3Å; V154-I219 HydrophobicContact CG2-CD1 4.21Å; V154-I219 HydrophobicContact CG2-CG2 3.57Å; V154-Q271 HydrophobicContact CG1-CB 3.92Å; V154-Q271 HydrophobicContact CG1-CG 3.9Å; V154-Q275 PolarHBondContact O-NE2 3.5Å
155Q95.4Very high95Very high95 Ų9558.6 Ų58.644%0.44429%0.292SS..Hα-helixtrans-66.6-37.6175-170.7177.74.200111.6K151 N152 S153 E158 Q159K151-Q155 PolarHBondContact O-N 2.99Å; N152-Q155 WeakPolarHBondContact O-CB 3.28Å; N152-Q155 PolarHBondContact O-N 3.48Å; S153-Q155 VanDerWaalsContact C-N 3.32Å; S153-Q155 PolarHBondContact O-N 2.9Å; Q155-E158 WeakPolarHBondContact O-CB 3.32Å; Q155-E158 PolarHBondContact O-N 3.47Å; Q155-Q159 PolarHBondContact O-N 3.41Å
156M95.1Very high95.2Very high102 Ų10256.2 Ų56.250%0.50228%0.284SS..Hα-helixtrans-66-42.2174-65.4-53.8-58.900111.8N152 S153 V154 E158 Q159 D160N152-M156 WeakPolarHBondContact O-CG 3.33Å; N152-M156 PolarHBondContact O-N 3.4Å; S153-M156 PolarHBondContact O-N 3.41Å; V154-M156 VanDerWaalsContact C-N 3.34Å; M156-E158 VanDerWaalsContact C-N 3.25Å; M156-E158 PolarHBondContact O-N 2.92Å; M156-Q159 WeakPolarHBondContact O-CB 3.45Å; M156-Q159 PolarHBondContact O-N 3.36Å; M156-Q159 VanDerWaalsContact O-N 3.16Å; M156-D160 PolarHBondContact O-N 2.99Å
157T95.5Very high95.1Very high3 Ų353.3 Ų53.32%0.01827%0.272CS..Hα-helixtrans-67.5-26.6176.860.20000112.8S153 V154 D160 T161 K215 M216 I219 Q275S153-T157 PolarHBondContact O-N 3.35Å; V154-T157 PolarHBondContact O-N 3Å; V154-T157 PolarHBondContact O-OG1 3.44Å; T157-D160 PolarHBondContact O-N 3.41Å; T157-T161 WeakPolarHBondContact O-CB 3.14Å; T157-T161 PolarHBondContact O-N 2.83Å; T157-T161 PolarHBondContact O-OG1 3.2Å; T157-K215 HydrophobicContact CG2-CB 3.8Å; T157-K215 HydrophobicContact CG2-CD 4.46Å; T157-M216 HydrophobicContact CG2-CG 4.33Å; T157-I219 HydrophobicContact CG2-CD1 3.55Å; T157-Q275 PolarHBondContact O-OE1 2.89Å; T157-Q275 PolarHBondContact OG1-OE1 2.78Å
158E94.4Very high95.1Very high78 Ų7853.5 Ų53.536%0.36427%0.273SS..Hα-helixtrans-64.9-43.2171.5-171.2175.4-149.100111.5V154 Q155 M156 T161 K162 Q271 Q275V154-E158 PolarHBondContact O-N 3.3Å; Q155-E158 WeakPolarHBondContact O-CB 3.32Å; Q155-E158 PolarHBondContact O-N 3.47Å; M156-E158 VanDerWaalsContact C-N 3.25Å; M156-E158 PolarHBondContact O-N 2.92Å; E158-T161 PolarHBondContact O-N 3.32Å; E158-K162 PolarHBondContact O-N 3.02Å; E158-Q271 PolarHBondContact OE2-NE2 3Å; E158-Q275 HydrophobicContact CB-CG 4.4Å; E158-Q275 HydrophobicContact CG-CG 4.49Å
159Q94.4Very high95Very high104 Ų10455.2 Ų55.249%0.48628%0.277SS..Hα-helixtrans-62.9-43.6174.9-66.5178.31.700111.1Q155 M156 T161 K162 Y163Q155-Q159 PolarHBondContact O-N 3.41Å; M156-Q159 WeakPolarHBondContact O-CB 3.45Å; M156-Q159 PolarHBondContact O-N 3.36Å; M156-Q159 VanDerWaalsContact O-N 3.16Å; Q159-T161 VanDerWaalsContact C-N 3.33Å; Q159-T161 PolarHBondContact O-N 3.12Å; Q159-K162 PolarHBondContact O-N 2.81Å; Q159-Y163 WeakPolarHBondContact O-CB 3.29Å; Q159-Y163 PolarHBondContact O-N 2.78Å
160D92.7Very high94.9Very high42 Ų4256.7 Ų56.723%0.22528%0.275CS..Hα-helixtrans-59.4-43.3175-71.5-19000111.3M156 T157 K162 Y163 L164 K215M156-D160 PolarHBondContact O-N 2.99Å; T157-D160 PolarHBondContact O-N 3.41Å; D160-K162 VanDerWaalsContact C-N 3.34Å; D160-K162 PolarHBondContact O-N 2.72Å; D160-Y163 PolarHBondContact O-N 3.06Å; D160-L164 WeakPolarHBondContact O-CB 3.17Å; D160-L164 PolarHBondContact O-N 2.79Å; D160-K215 WeakPolarHBondContact OD2-CD 3.43Å; D160-K215 IonicContact OD2-NZ 2.77Å; D160-K215 PolarHBondContact OD2-NZ 2.91Å
161T93.4Very high94.8Very high3 Ų357.4 Ų57.42%0.01828%0.278CS..Hα-helixtrans-65.7-37.1178.8-54.30000112T157 E158 Q159 L164 E165 M216 K278 L279 Q282T157-T161 WeakPolarHBondContact O-CB 3.14Å; T157-T161 PolarHBondContact O-N 2.83Å; T157-T161 PolarHBondContact O-OG1 3.2Å; E158-T161 PolarHBondContact O-N 3.32Å; Q159-T161 VanDerWaalsContact C-N 3.33Å; Q159-T161 PolarHBondContact O-N 3.12Å; T161-L164 PolarHBondContact O-N 3.06Å; T161-E165 PolarHBondContact O-N 2.52Å; T161-E165 VanDerWaalsContact O-N 3.14Å; T161-M216 VanDerWaalsContact OG1-CE 3.24Å; T161-M216 WeakPolarHBondContact OG1-CE 3.48Å; T161-K278 HydrophobicContact CG2-CB 4.47Å; T161-K278 HydrophobicContact CG2-CD 4.26Å; T161-K278 HydrophobicContact CG2-CG 4.43Å; T161-L279 HydrophobicContact CG2-CD2 4.1Å; T161-L279 HydrophobicContact CG2-CG 4.21Å; T161-Q282 PolarHBondContact O-NE2 3.45Å
162K94.5Very high94.6Very high125 Ų12557.2 Ų57.254%0.54328%0.28SS..Hα-helixtrans-68.3-45.3175.1-173.1179.6178.7-176.60111.5E158 Q159 D160 L164 E165 D166E158-K162 PolarHBondContact O-N 3.02Å; Q159-K162 PolarHBondContact O-N 2.81Å; D160-K162 VanDerWaalsContact C-N 3.34Å; D160-K162 PolarHBondContact O-N 2.72Å; K162-L164 PolarHBondContact O-N 3.14Å; K162-E165 WeakPolarHBondContact O-CA 3.21Å; K162-E165 WeakPolarHBondContact O-CB 3.4Å; K162-E165 PolarHBondContact O-N 2.91Å; K162-E165 VanDerWaalsContact O-N 3.07Å; K162-D166 PolarHBondContact O-N 2.87Å; K162-D166 VanDerWaalsContact O-N 3.07Å
163Y94.3Very high94.4Very high117 Ų11760.5 Ų60.546%0.45929%0.287SS..Hα-helixtrans-59.8-37.4175.2175.5-106.5000112.2Q159 D160 E165 D166 L167 K208Q159-Y163 WeakPolarHBondContact O-CB 3.29Å; Q159-Y163 PolarHBondContact O-N 2.78Å; D160-Y163 PolarHBondContact O-N 3.06Å; Y163-E165 VanDerWaalsContact C-N 3.32Å; Y163-E165 PolarHBondContact O-N 2.63Å; Y163-D166 PolarHBondContact O-N 2.99Å; Y163-L167 HydrophobicContact CD1-CD1 3.9Å; Y163-L167 HydrophobicContact CD1-CG 4.41Å; Y163-L167 HydrophobicContact CE1-CD1 3.25Å; Y163-L167 HydrophobicContact CE1-CG 3.91Å; Y163-L167 HydrophobicContact CE2-CD1 4.4Å; Y163-L167 HydrophobicContact CE2-CD2 4.47Å; Y163-L167 HydrophobicContact CE2-CG 4.18Å; Y163-L167 PolarHBondContact O-N 3.02Å; Y163-K208 HydrophobicContact CE1-CD 4.37Å
164L94.1Very high94Very high2 Ų262.1 Ų62.11%0.0129%0.286CS..Hα-helixtrans-64-37.7175.1-156.4150.8000112D160 T161 K162 Q168 L205 K208 R209D160-L164 WeakPolarHBondContact O-CB 3.17Å; D160-L164 PolarHBondContact O-N 2.79Å; T161-L164 PolarHBondContact O-N 3.06Å; K162-L164 PolarHBondContact O-N 3.14Å; L164-Q168 WeakPolarHBondContact O-CB 3.37Å; L164-Q168 PolarHBondContact O-N 3.12Å; L164-L205 HydrophobicContact CD2-CD2 4.39Å; L164-K208 HydrophobicContact CD1-CB 3.98Å; L164-K208 HydrophobicContact CG-CB 4.46Å; L164-R209 HydrophobicContact CD1-CB 4.32Å; L164-R209 HydrophobicContact CD1-CG 3.71Å; L164-R209 HydrophobicContact CD2-CG 3.9Å; L164-R209 HydrophobicContact CG-CG 4.34Å
165E94.3Very high93.7Very high36 Ų3667 Ų6717%0.16831%0.305CS..Hα-helixtrans-59.2-52172.2-160.3175.4-14900111.3T161 K162 Y163 L167 Q168 D169 K278 Q282T161-E165 PolarHBondContact O-N 2.52Å; T161-E165 VanDerWaalsContact O-N 3.14Å; K162-E165 WeakPolarHBondContact O-CA 3.21Å; K162-E165 WeakPolarHBondContact O-CB 3.4Å; K162-E165 PolarHBondContact O-N 2.91Å; K162-E165 VanDerWaalsContact O-N 3.07Å; Y163-E165 VanDerWaalsContact C-N 3.32Å; Y163-E165 PolarHBondContact O-N 2.63Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.1Å; E165-Q168 PolarHBondContact O-N 2.68Å; E165-Q168 VanDerWaalsContact O-N 3.07Å; E165-D169 PolarHBondContact O-N 2.77Å; E165-K278 WeakPolarHBondContact OE1-CE 3.4Å; E165-K278 IonicContact OE1-NZ 2.6Å; E165-K278 WeakPolarHBondContact OE2-CE 3.46Å; E165-K278 IonicContact OE2-NZ 2.7Å; E165-K278 PolarHBondContact OE2-NZ 3.07Å; E165-Q282 VanDerWaalsContact CA-NE2 3.28Å
166D95.2Very high93.4Very high86 Ų8667.8 Ų67.846%0.4631%0.306SS..Hα-helixtrans-60.7-42.3-177.4-62.9-29.9000111.2K162 Y163 Q168 D169 E170K162-D166 PolarHBondContact O-N 2.87Å; K162-D166 VanDerWaalsContact O-N 3.07Å; Y163-D166 PolarHBondContact O-N 2.99Å; D166-Q168 VanDerWaalsContact C-N 3.34Å; D166-Q168 PolarHBondContact O-N 3.19Å; D166-D169 PolarHBondContact O-N 2.76Å; D166-E170 PolarHBondContact O-N 3.02Å
167L94Very high93Very high26 Ų2665.5 Ų65.514%0.13630%0.298CS..Hα-helixtrans-63.1-39.4174.9-79179.4000112.6Y163 E165 F171 L205 K208Y163-L167 HydrophobicContact CD1-CD1 3.9Å; Y163-L167 HydrophobicContact CD1-CG 4.41Å; Y163-L167 HydrophobicContact CE1-CD1 3.25Å; Y163-L167 HydrophobicContact CE1-CG 3.91Å; Y163-L167 HydrophobicContact CE2-CD1 4.4Å; Y163-L167 HydrophobicContact CE2-CD2 4.47Å; Y163-L167 HydrophobicContact CE2-CG 4.18Å; Y163-L167 PolarHBondContact O-N 3.02Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.1Å; L167-F171 WeakPolarHBondContact O-CB 3.43Å; L167-F171 PolarHBondContact O-N 2.71Å; L167-L205 HydrophobicContact CB-CD2 3.7Å; L167-K208 HydrophobicContact CD1-CG 4.48Å
168Q94.4Very high92.4Very high5 Ų566.4 Ų66.42%0.02330%0.303CS..Hα-helixtrans-71.1-38.9-179.4-174.6174.5-46.400111.1L164 E165 D166 F171 D172 L205 Q282 M286L164-Q168 WeakPolarHBondContact O-CB 3.37Å; L164-Q168 PolarHBondContact O-N 3.12Å; E165-Q168 PolarHBondContact O-N 2.68Å; E165-Q168 VanDerWaalsContact O-N 3.07Å; D166-Q168 VanDerWaalsContact C-N 3.34Å; D166-Q168 PolarHBondContact O-N 3.19Å; Q168-F171 PolarHBondContact O-N 3.24Å; Q168-D172 WeakPolarHBondContact O-CB 3.3Å; Q168-D172 PolarHBondContact O-N 2.92Å; Q168-L205 HydrophobicContact CB-CD2 4.01Å; Q168-Q282 PolarHBondContact NE2-O 2.9Å; Q168-M286 HydrophobicContact CG-CB 4.42Å; Q168-M286 HydrophobicContact CG-SD 3.99Å
169D94.2Very high91.8Very high75 Ų7568.1 Ų68.140%0.40131%0.311SS..Hα-helixtrans-65.8-38.8175.4-72.8-13000111.3E165 D166 D172 Y173E165-D169 PolarHBondContact O-N 2.77Å; D166-D169 PolarHBondContact O-N 2.76Å; D169-D172 PolarHBondContact O-N 3.09Å; D169-Y173 WeakPolarHBondContact O-CB 3.36Å; D169-Y173 PolarHBondContact O-N 3.24Å
170E94Very high91.3Very high83 Ų8368.8 Ų68.839%0.38832%0.322SS..Hα-helixtrans-63-44.8172.8-168.5-172.6165.300111.5D166 Y173 R174 M201D166-E170 PolarHBondContact O-N 3.02Å; E170-Y173 PolarHBondContact O-N 2.91Å; E170-R174 WeakPolarHBondContact O-CG 3.15Å; E170-R174 PolarHBondContact O-N 3.1Å; E170-R174 IonicContact OE1-CZ 2.92Å; E170-R174 IonicContact OE1-NE 2.85Å; E170-R174 PolarHBondContact OE1-NE 2.71Å; E170-R174 IonicContact OE1-NH2 2.72Å; E170-R174 PolarHBondContact OE1-NH2 3.01Å; E170-M201 HydrophobicContact CB-CE 3.93Å; E170-M201 HydrophobicContact CG-CE 3.81Å
171F93.3Very high90.5Very high21 Ų2171.3 Ų71.39%0.09233%0.334CS..Hα-helixtrans-59.1-49.5176.3173.7-87.9000111.1L167 Q168 Y173 R174 Y175 L198 M201 L202 L205 M286L167-F171 WeakPolarHBondContact O-CB 3.43Å; L167-F171 PolarHBondContact O-N 2.71Å; Q168-F171 PolarHBondContact O-N 3.24Å; F171-Y173 VanDerWaalsContact C-N 3.33Å; F171-Y173 PolarHBondContact O-N 2.92Å; F171-R174 PolarHBondContact O-N 3.35Å; F171-Y175 HydrophobicContact CE1-CG 4.4Å; F171-Y175 HydrophobicContact CZ-CD2 4.43Å; F171-Y175 VanDerWaalsContact O-CB 3.24Å; F171-Y175 WeakPolarHBondContact O-CB 3.39Å; F171-Y175 PolarHBondContact O-N 3.27Å; F171-L198 HydrophobicContact CD2-CD2 3.75Å; F171-L198 HydrophobicContact CE2-CB 4.09Å; F171-L198 HydrophobicContact CE2-CD2 3.75Å; F171-L198 HydrophobicContact CE2-CG 4.47Å; F171-L198 WeakPolarHBondContact CE2-O 3.41Å; F171-M201 HydrophobicContact CB-CE 3.96Å; F171-M201 HydrophobicContact CD2-CB 3.89Å; F171-L202 HydrophobicContact CE2-CB 4.21Å; F171-L205 HydrophobicContact CB-CD1 3.96Å; F171-L205 HydrophobicContact CG-CD1 4.11Å; F171-M286 HydrophobicContact CD1-CE 3.51Å; F171-M286 HydrophobicContact CD1-SD 3.51Å; F171-M286 VanDerWaalsContact CD1-SD 3.51Å; F171-M286 HydrophobicContact CE1-CE 3.19Å; F171-M286 HydrophobicContact CE1-SD 3.68Å; F171-M286 HydrophobicContact CE2-CE 4.3Å; F171-M286 HydrophobicContact CG-CE 4.22Å; F171-M286 HydrophobicContact CG-SD 4.39Å; F171-M286 HydrophobicContact CZ-CE 3.62Å
172D92.4Very high89.4Confident58 Ų5877.1 Ų77.131%0.3137%0.365SS..Hα-helixtrans-61.3-42-179.4-179.958000111.5Q168 D169 Y175 K176Q168-D172 WeakPolarHBondContact O-CB 3.3Å; Q168-D172 PolarHBondContact O-N 2.92Å; D169-D172 PolarHBondContact O-N 3.09Å; D172-Y175 PolarHBondContact O-N 3.35Å; D172-K176 WeakPolarHBondContact O-CB 3.4Å; D172-K176 WeakPolarHBondContact O-CG 3.32Å; D172-K176 PolarHBondContact O-N 2.87Å; D172-K176 WeakPolarHBondContact OD1-CE 3.35Å; D172-K176 IonicContact OD1-NZ 3.3Å; D172-K176 PolarHBondContact OD1-NZ 3.16Å; D172-K176 VanDerWaalsContact OD2-CE 3.32Å; D172-K176 WeakPolarHBondContact OD2-CE 3.36Å; D172-K176 IonicContact OD2-NZ 2.65Å; D172-K176 PolarHBondContact OD2-NZ 3.45Å
173Y92.2Very high87.8Confident163 Ų16379.2 Ų79.264%0.63938%0.377SS*.Hα-helixtrans-59.9-49.6175.2178.1-96.5000112.2D169 E170 F171 T177D169-Y173 WeakPolarHBondContact O-CB 3.36Å; D169-Y173 PolarHBondContact O-N 3.24Å; E170-Y173 PolarHBondContact O-N 2.91Å; F171-Y173 VanDerWaalsContact C-N 3.33Å; F171-Y173 PolarHBondContact O-N 2.92Å; Y173-T177 WeakPolarHBondContact O-CB 3.43Å; Y173-T177 PolarHBondContact O-N 3.3Å; Y173-T177 PolarHBondContact O-OG1 3.02Å
174R90.3Very high86Confident80 Ų8078.6 Ų78.630%0.30239%0.389SS..Hα-helixtrans-64.7-43.3178.6-72.5-178.1-177.1-111.66.9111.6E170 F171 K176 T177 I178 E194 L198E170-R174 WeakPolarHBondContact O-CG 3.15Å; E170-R174 PolarHBondContact O-N 3.1Å; E170-R174 IonicContact OE1-CZ 2.92Å; E170-R174 IonicContact OE1-NE 2.85Å; E170-R174 PolarHBondContact OE1-NE 2.71Å; E170-R174 IonicContact OE1-NH2 2.72Å; E170-R174 PolarHBondContact OE1-NH2 3.01Å; F171-R174 PolarHBondContact O-N 3.35Å; R174-K176 PolarHBondContact O-N 3.39Å; R174-T177 WeakPolarHBondContact O-CB 3.45Å; R174-T177 PolarHBondContact O-N 2.98Å; R174-I178 WeakPolarHBondContact O-CG1 3.14Å; R174-I178 PolarHBondContact O-N 3.48Å; R174-E194 IonicContact NH1-OE1 2.82Å; R174-E194 PolarHBondContact NH1-OE1 3.17Å; R174-L198 HydrophobicContact CB-CD2 3.82Å
175Y88.8Confident84.4Confident104 Ų10482.8 Ų82.841%0.40841%0.412SS..Hα-helixtrans-60.5-46.6178.7-176.9-105.4000111.9F171 D172 T177 I178 Q179 L198F171-Y175 HydrophobicContact CE1-CG 4.4Å; F171-Y175 HydrophobicContact CZ-CD2 4.43Å; F171-Y175 VanDerWaalsContact O-CB 3.24Å; F171-Y175 WeakPolarHBondContact O-CB 3.39Å; F171-Y175 PolarHBondContact O-N 3.27Å; D172-Y175 PolarHBondContact O-N 3.35Å; Y175-T177 PolarHBondContact O-N 3.23Å; Y175-I178 PolarHBondContact O-N 3.39Å; Y175-Q179 HydrophobicContact CE1-CG 4.17Å; Y175-Q179 WeakPolarHBondContact O-CG 3.48Å; Y175-Q179 PolarHBondContact O-N 2.83Å; Y175-Q179 PolarHBondContact OH-NE2 3.02Å; Y175-L198 HydrophobicContact CD2-CD1 4.06Å
176K89.8Confident82.7Confident110 Ų11085.3 Ų85.348%0.47842%0.422SS..Hα-helixtrans-62.8-41175.1-75.9171.4176.9164.20112.4D172 R174 I178 Q179 T180D172-K176 WeakPolarHBondContact O-CB 3.4Å; D172-K176 WeakPolarHBondContact O-CG 3.32Å; D172-K176 PolarHBondContact O-N 2.87Å; D172-K176 WeakPolarHBondContact OD1-CE 3.35Å; D172-K176 IonicContact OD1-NZ 3.3Å; D172-K176 PolarHBondContact OD1-NZ 3.16Å; D172-K176 VanDerWaalsContact OD2-CE 3.32Å; D172-K176 WeakPolarHBondContact OD2-CE 3.36Å; D172-K176 IonicContact OD2-NZ 2.65Å; D172-K176 PolarHBondContact OD2-NZ 3.45Å; R174-K176 PolarHBondContact O-N 3.39Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 2.99Å; K176-Q179 PolarHBondContact O-N 3.22Å; K176-Q179 VanDerWaalsContact O-N 3.15Å; K176-T180 PolarHBondContact O-N 2.94Å; K176-T180 VanDerWaalsContact O-N 3.1Å; K176-T180 PolarHBondContact O-OG1 2.73Å
177T87.6Confident81.1Confident55 Ų5589 Ų8934%0.33744%0.442SS..Hα-helixtrans-57.3-44.8177.2-58.60000111Y173 R174 Y175 T180Y173-T177 WeakPolarHBondContact O-CB 3.43Å; Y173-T177 PolarHBondContact O-N 3.3Å; Y173-T177 PolarHBondContact O-OG1 3.02Å; R174-T177 WeakPolarHBondContact O-CB 3.45Å; R174-T177 PolarHBondContact O-N 2.98Å; Y175-T177 PolarHBondContact O-N 3.23Å; T177-T180 PolarHBondContact O-N 2.84Å; T177-T180 PolarHBondContact O-OG1 3.49Å
178I82.9Confident80.1Confident21 Ų2190 Ų9011%0.10845%0.451CS..Hα-helixtrans-66.1-40.4176.6-67.2175.7000112R174 Y175 K176 T180 M181 M191 E194 L198R174-I178 WeakPolarHBondContact O-CG1 3.14Å; R174-I178 PolarHBondContact O-N 3.48Å; Y175-I178 PolarHBondContact O-N 3.39Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 2.99Å; I178-T180 PolarHBondContact O-N 3.44Å; I178-M181 PolarHBondContact O-N 2.84Å; I178-M191 HydrophobicContact CG2-CE 3.22Å; I178-M191 HydrophobicContact CG2-SD 3.69Å; I178-E194 HydrophobicContact CD1-CB 3.94Å; I178-E194 HydrophobicContact CD1-CG 3.35Å; I178-E194 HydrophobicContact CG1-CG 4.08Å; I178-L198 HydrophobicContact CD1-CD1 3.37Å; I178-L198 HydrophobicContact CD1-CG 4.17Å
179Q81.4Confident79.2Confident115 Ų11593.7 Ų93.754%0.53748%0.482SS..Hα-helixtrans-61.6-32.2178-75.3-166.4-1300112.9Y175 K176Y175-Q179 HydrophobicContact CE1-CG 4.17Å; Y175-Q179 WeakPolarHBondContact O-CG 3.48Å; Y175-Q179 PolarHBondContact O-N 2.83Å; Y175-Q179 PolarHBondContact OH-NE2 3.02Å; K176-Q179 PolarHBondContact O-N 3.22Å; K176-Q179 VanDerWaalsContact O-N 3.15Å
180T82.9Confident78.3Confident118 Ų11897.5 Ų97.572%0.72450%0.5SS*.THydrogen-bonded Turntrans-81.9-4.7-179.753.10000115.1K176 T177 I178K176-T180 PolarHBondContact O-N 2.94Å; K176-T180 VanDerWaalsContact O-N 3.1Å; K176-T180 PolarHBondContact O-OG1 2.73Å; T177-T180 PolarHBondContact O-N 2.84Å; T177-T180 PolarHBondContact O-OG1 3.49Å; I178-T180 PolarHBondContact O-N 3.44Å
181M76.8Confident77.5Confident94 Ų9495.2 Ų95.246%0.46349%0.489SS..SBendtrans-75.9143.5178.5-76-174.2161.400113.3I178 K186I178-M181 PolarHBondContact O-N 2.84Å; M181-K186 WeakPolarHBondContact O-CE 3.42Å
182D69.3Low76.9Confident125 Ų12599.2 Ų99.267%0.66851%0.512SS*.  trans-64.1152.5-179.2-88.7-26.9000113.2S184 D185D182-S184 PolarHBondContact O-N 2.91Å; D182-S184 VanDerWaalsContact O-N 3.12Å; D182-D185 PolarHBondContact O-N 3.05Å
183Q61Low76.5Confident170 Ų170103 Ų10379%0.79453%0.528SS*.THydrogen-bonded Turntrans-63.2-20-173.3-72.1179.10.500114.5
184S58.4Low76.1Confident104 Ų10498 Ų9873%0.72751%0.51SS*.THydrogen-bonded Turntrans-72.5-24.1177.849.10000114D182D182-S184 PolarHBondContact O-N 2.91Å; D182-S184 VanDerWaalsContact O-N 3.12Å
185D60.2Low75.9Confident90 Ų9097.7 Ų97.748%0.48152%0.517SS..THydrogen-bonded Turntrans-94.2-8.5-175.3-71.5-30.5000113.8D182 N187 S188D182-D185 PolarHBondContact O-N 3.05Å; D185-N187 VanDerWaalsContact C-N 3.27Å; D185-N187 PolarHBondContact O-N 3.47Å; D185-S188 WeakPolarHBondContact O-CB 3.47Å; D185-S188 PolarHBondContact O-N 3Å; D185-S188 PolarHBondContact O-OG 2.87Å
186K58.2Low75.9Confident89 Ų8998.1 Ų98.139%0.38753%0.526SS..THydrogen-bonded Turntrans-70-15.6-174.3-67.9-173.7178.8-1770115M181M181-K186 WeakPolarHBondContact O-CE 3.42Å
187N62.1Low75.9Confident163 Ų16394.8 Ų94.887%0.87251%0.514SS*.THydrogen-bonded Turntrans-102.914.4177.7-80.2-16.7000113.5D185D185-N187 VanDerWaalsContact C-N 3.27Å; D185-N187 PolarHBondContact O-N 3.47Å
188S71.6Confident76Confident46 Ų4692.9 Ų92.932%0.32250%0.502SS..SBendtrans-80.1150.4178.9680000112.4D185 M190 M191 N192D185-S188 WeakPolarHBondContact O-CB 3.47Å; D185-S188 PolarHBondContact O-N 3Å; D185-S188 PolarHBondContact O-OG 2.87Å; S188-M190 PolarHBondContact O-N 3.03Å; S188-M191 WeakPolarHBondContact O-CB 3.31Å; S188-M191 PolarHBondContact O-N 3.04Å; S188-M191 VanDerWaalsContact O-N 3.09Å; S188-M191 PolarHBondContact OG-N 2.91Å; S188-N192 PolarHBondContact O-N 3.4Å
189A76.1Confident76.4Confident83 Ų8396.6 Ų96.669%0.68652%0.519SS*.Hα-helixtrans-59.2-28.9172.700000112.3N192 Q193A189-N192 PolarHBondContact O-N 2.89Å; A189-Q193 PolarHBondContact O-N 2.76Å; A189-Q193 VanDerWaalsContact O-N 3.16Å
190M74.7Confident77Confident156 Ų15697.4 Ų97.477%0.76852%0.523SS*.Hα-helixtrans-66.4-38.7174.4-71.4-15769.600112.7S188 Q193 E194S188-M190 PolarHBondContact O-N 3.03Å; M190-Q193 PolarHBondContact O-N 3.41Å; M190-E194 PolarHBondContact O-N 3.43Å
191M78.3Confident77.5Confident35 Ų3593.1 Ų93.117%0.17250%0.495CS..Hα-helixtrans-62.8-45.3175.6-177.371.5177.700111.6I178 S188 Q193 E194 V195I178-M191 HydrophobicContact CG2-CE 3.22Å; I178-M191 HydrophobicContact CG2-SD 3.69Å; S188-M191 WeakPolarHBondContact O-CB 3.31Å; S188-M191 PolarHBondContact O-N 3.04Å; S188-M191 VanDerWaalsContact O-N 3.09Å; S188-M191 PolarHBondContact OG-N 2.91Å; M191-Q193 VanDerWaalsContact C-N 3.25Å; M191-Q193 PolarHBondContact O-N 2.94Å; M191-E194 PolarHBondContact O-N 3.42Å; M191-V195 HydrophobicContact CE-CG2 4.26Å; M191-V195 VanDerWaalsContact O-CG2 3.31Å; M191-V195 WeakPolarHBondContact O-CG2 3.29Å; M191-V195 PolarHBondContact O-N 3.01Å
192N80.3Confident78.2Confident104 Ų10490.6 Ų90.656%0.55648%0.483SS*.Hα-helixtrans-61.3-36.4176.9-74.7-28.8000112S188 A189 L196S188-N192 PolarHBondContact O-N 3.4Å; A189-N192 PolarHBondContact O-N 2.89Å; N192-L196 WeakPolarHBondContact O-CG 3.28Å; N192-L196 PolarHBondContact O-N 3.28Å; N192-L196 VanDerWaalsContact O-N 3.14Å
193Q83.6Confident79.4Confident139 Ų13989 Ų8965%0.6548%0.475SS*.Hα-helixtrans-69.9-41.8177.4-168.9142.1200112.1A189 M190 M191 V195 L196 T197A189-Q193 PolarHBondContact O-N 2.76Å; A189-Q193 VanDerWaalsContact O-N 3.16Å; M190-Q193 PolarHBondContact O-N 3.41Å; M191-Q193 VanDerWaalsContact C-N 3.25Å; M191-Q193 PolarHBondContact O-N 2.94Å; Q193-V195 PolarHBondContact O-N 3.25Å; Q193-L196 WeakPolarHBondContact O-CB 3.28Å; Q193-L196 PolarHBondContact O-N 2.89Å; Q193-T197 PolarHBondContact O-N 3.42Å; Q193-T197 PolarHBondContact O-OG1 3.07Å; Q193-T197 VanDerWaalsContact O-OG1 3.1Å
194E84.6Confident81Confident58 Ų5883.3 Ų83.327%0.27145%0.454SS..Hα-helixtrans-68.4-34.6177.4-160.669.1-164.900112R174 I178 M190 M191 L196 T197 L198R174-E194 IonicContact NH1-OE1 2.82Å; R174-E194 PolarHBondContact NH1-OE1 3.17Å; I178-E194 HydrophobicContact CD1-CB 3.94Å; I178-E194 HydrophobicContact CD1-CG 3.35Å; I178-E194 HydrophobicContact CG1-CG 4.08Å; M190-E194 PolarHBondContact O-N 3.43Å; M191-E194 PolarHBondContact O-N 3.42Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-T197 PolarHBondContact O-N 3.45Å; E194-L198 WeakPolarHBondContact O-CG 3.47Å; E194-L198 PolarHBondContact O-N 2.89Å
195V85.6Confident82.7Confident72 Ų7278.5 Ų78.544%0.43642%0.419SS..Hα-helixtrans-63.2-40.5172.51710000111.3M191 Q193 L198 Q199M191-V195 HydrophobicContact CE-CG2 4.26Å; M191-V195 VanDerWaalsContact O-CG2 3.31Å; M191-V195 WeakPolarHBondContact O-CG2 3.29Å; M191-V195 PolarHBondContact O-N 3.01Å; Q193-V195 PolarHBondContact O-N 3.25Å; V195-L198 PolarHBondContact O-N 3.34Å; V195-Q199 PolarHBondContact O-N 3.23Å
196L88.8Confident84.3Confident114 Ų11475.7 Ų75.760%0.59740%0.404SS*.Hα-helixtrans-62.7-43.9173.2-72.9167.6000111.2N192 Q193 E194 L198 Q199 E200N192-L196 WeakPolarHBondContact O-CG 3.28Å; N192-L196 PolarHBondContact O-N 3.28Å; N192-L196 VanDerWaalsContact O-N 3.14Å; Q193-L196 WeakPolarHBondContact O-CB 3.28Å; Q193-L196 PolarHBondContact O-N 2.89Å; E194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.06Å; L196-Q199 WeakPolarHBondContact O-CB 3.3Å; L196-Q199 PolarHBondContact O-N 3.03Å; L196-E200 WeakPolarHBondContact O-CG 3.44Å; L196-E200 PolarHBondContact O-N 3.34Å
197T89.6Confident86Confident40 Ų4077.5 Ų77.525%0.24541%0.413CS..Hα-helixtrans-61-42.8175.9-56.90000112.1Q193 E194 Q199 E200 M201Q193-T197 PolarHBondContact O-N 3.42Å; Q193-T197 PolarHBondContact O-OG1 3.07Å; Q193-T197 VanDerWaalsContact O-OG1 3.1Å; E194-T197 PolarHBondContact O-N 3.45Å; T197-Q199 VanDerWaalsContact C-N 3.32Å; T197-Q199 PolarHBondContact O-N 2.86Å; T197-E200 PolarHBondContact O-N 3.42Å; T197-M201 WeakPolarHBondContact O-CG 3.45Å; T197-M201 PolarHBondContact O-N 2.82Å
198L90.4Very high87.5Confident15 Ų1572.5 Ų72.58%0.07938%0.383CS..Hα-helixtrans-62.1-39.3174.3-76.4178.2000112.3F171 R174 Y175 I178 E194 V195 L196 E200 M201 L202F171-L198 HydrophobicContact CD2-CD2 3.75Å; F171-L198 HydrophobicContact CE2-CB 4.09Å; F171-L198 HydrophobicContact CE2-CD2 3.75Å; F171-L198 HydrophobicContact CE2-CG 4.47Å; F171-L198 WeakPolarHBondContact CE2-O 3.41Å; R174-L198 HydrophobicContact CB-CD2 3.82Å; Y175-L198 HydrophobicContact CD2-CD1 4.06Å; I178-L198 HydrophobicContact CD1-CD1 3.37Å; I178-L198 HydrophobicContact CD1-CG 4.17Å; E194-L198 WeakPolarHBondContact O-CG 3.47Å; E194-L198 PolarHBondContact O-N 2.89Å; V195-L198 PolarHBondContact O-N 3.34Å; L196-L198 PolarHBondContact O-N 3.06Å; L198-E200 VanDerWaalsContact C-N 3.35Å; L198-M201 HydrophobicContact CD2-SD 4.48Å; L198-M201 PolarHBondContact O-N 3.05Å; L198-L202 WeakPolarHBondContact O-CB 3.39Å; L198-L202 PolarHBondContact O-N 2.96Å
199Q91.1Very high88.6Confident98 Ų9870.4 Ų70.446%0.45837%0.368SS..Hα-helixtrans-65-39.5176-173.961.657.100111.7V195 L196 T197 L202 N203V195-Q199 PolarHBondContact O-N 3.23Å; L196-Q199 WeakPolarHBondContact O-CB 3.3Å; L196-Q199 PolarHBondContact O-N 3.03Å; T197-Q199 VanDerWaalsContact C-N 3.32Å; T197-Q199 PolarHBondContact O-N 2.86Å; Q199-L202 PolarHBondContact O-N 3.43Å; Q199-N203 PolarHBondContact NE2-OD1 2.95Å; Q199-N203 WeakPolarHBondContact O-CB 3.37Å; Q199-N203 PolarHBondContact O-N 2.85Å; Q199-N203 PolarHBondContact O-ND2 3.41Å; Q199-N203 PolarHBondContact O-OD1 3.07Å
200E93.3Very high89.5Confident132 Ų13271.2 Ų71.262%0.61736%0.356SS*.Hα-helixtrans-63-42.9173.6-71.6177.1168.500111.8L196 T197 L198 N203 S204L196-E200 WeakPolarHBondContact O-CG 3.44Å; L196-E200 PolarHBondContact O-N 3.34Å; T197-E200 PolarHBondContact O-N 3.42Å; L198-E200 VanDerWaalsContact C-N 3.35Å; E200-N203 PolarHBondContact O-N 3Å; E200-S204 WeakPolarHBondContact O-CB 3.29Å; E200-S204 PolarHBondContact O-N 2.92Å
201M93.8Very high90.4Very high28 Ų2866.6 Ų66.614%0.13833%0.333CS..Hα-helixtrans-62.3-43175-70.6-179.979.300111.9E170 F171 T197 L198 S204 L205E170-M201 HydrophobicContact CB-CE 3.93Å; E170-M201 HydrophobicContact CG-CE 3.81Å; F171-M201 HydrophobicContact CB-CE 3.96Å; F171-M201 HydrophobicContact CD2-CB 3.89Å; T197-M201 WeakPolarHBondContact O-CG 3.45Å; T197-M201 PolarHBondContact O-N 2.82Å; L198-M201 HydrophobicContact CD2-SD 4.48Å; L198-M201 PolarHBondContact O-N 3.05Å; M201-S204 WeakPolarHBondContact O-CB 3.41Å; M201-S204 PolarHBondContact O-N 3.05Å; M201-L205 WeakPolarHBondContact O-CG 3.43Å; M201-L205 PolarHBondContact O-N 2.88Å
202L92.2Very high91.2Very high41 Ų4165 Ų6522%0.21533%0.326CS..Hα-helixtrans-62.2-43.9176.6-177.367000111.8F171 L198 Q199 S204 L205 D206 M286 Y288F171-L202 HydrophobicContact CE2-CB 4.21Å; L198-L202 WeakPolarHBondContact O-CB 3.39Å; L198-L202 PolarHBondContact O-N 2.96Å; Q199-L202 PolarHBondContact O-N 3.43Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.36Å; L202-L205 PolarHBondContact O-N 3.25Å; L202-D206 PolarHBondContact O-N 3.15Å; L202-M286 HydrophobicContact CD1-CE 3.13Å; L202-Y288 HydrophobicContact CD1-CD1 4.14Å; L202-Y288 HydrophobicContact CD1-CE1 4.44Å
203N93.8Very high91.9Very high93 Ų9360.1 Ų60.150%0.49730%0.299SS..Hα-helixtrans-63.3-39.3175.9-67.7-14.9000111.6Q199 E200 D206 F207Q199-N203 PolarHBondContact NE2-OD1 2.95Å; Q199-N203 WeakPolarHBondContact O-CB 3.37Å; Q199-N203 PolarHBondContact O-N 2.85Å; Q199-N203 PolarHBondContact O-ND2 3.41Å; Q199-N203 PolarHBondContact O-OD1 3.07Å; E200-N203 PolarHBondContact O-N 3Å; N203-D206 PolarHBondContact O-N 3.43Å; N203-F207 WeakPolarHBondContact O-CB 3.43Å; N203-F207 PolarHBondContact O-N 2.86Å
204S94.3Very high92.4Very high50 Ų5057.1 Ų57.135%0.3529%0.294SS..Hα-helixtrans-64.6-44.2175.2-173.80000111.8E200 M201 L202 F207 K208E200-S204 WeakPolarHBondContact O-CB 3.29Å; E200-S204 PolarHBondContact O-N 2.92Å; M201-S204 WeakPolarHBondContact O-CB 3.41Å; M201-S204 PolarHBondContact O-N 3.05Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.36Å; S204-F207 PolarHBondContact O-N 3.29Å; S204-K208 WeakPolarHBondContact O-CB 3.47Å; S204-K208 VanDerWaalsContact O-CG 3.26Å; S204-K208 WeakPolarHBondContact O-CG 3.46Å; S204-K208 PolarHBondContact O-N 3.05Å
205L93.9Very high92.9Very high2 Ų257.5 Ų57.51%0.0129%0.294CS..Hα-helixtrans-58.9-47.8174.1-78.5170.3000111.3L164 L167 Q168 F171 M201 L202 F207 K208 R209 M286L164-L205 HydrophobicContact CD2-CD2 4.39Å; L167-L205 HydrophobicContact CB-CD2 3.7Å; Q168-L205 HydrophobicContact CB-CD2 4.01Å; F171-L205 HydrophobicContact CB-CD1 3.96Å; F171-L205 HydrophobicContact CG-CD1 4.11Å; M201-L205 WeakPolarHBondContact O-CG 3.43Å; M201-L205 PolarHBondContact O-N 2.88Å; L202-L205 PolarHBondContact O-N 3.25Å; L205-F207 PolarHBondContact O-N 3.34Å; L205-K208 PolarHBondContact O-N 3.03Å; L205-R209 WeakPolarHBondContact O-CB 3.16Å; L205-R209 VanDerWaalsContact O-CG 3.31Å; L205-R209 WeakPolarHBondContact O-CG 3.31Å; L205-R209 PolarHBondContact O-N 2.92Å; L205-M286 HydrophobicContact CD1-CE 4.16Å; L205-M286 HydrophobicContact CD1-SD 4.13Å
206D93.6Very high93.5Very high31 Ų3154 Ų5417%0.16627%0.273CS..Hα-helixtrans-60.2-46.3177.9177.268.5000112.3L202 N203 K208 R209 K210 Y288L202-D206 PolarHBondContact O-N 3.15Å; N203-D206 PolarHBondContact O-N 3.43Å; D206-K208 VanDerWaalsContact C-N 3.32Å; D206-K208 PolarHBondContact O-N 2.85Å; D206-R209 PolarHBondContact O-N 2.71Å; D206-K210 WeakPolarHBondContact O-CG 3.46Å; D206-K210 PolarHBondContact O-N 3.4Å; D206-K210 WeakPolarHBondContact OD1-CE 3.01Å; D206-K210 IonicContact OD1-NZ 3.02Å; D206-K210 PolarHBondContact OD1-NZ 3.45Å; D206-K210 VanDerWaalsContact OD2-CE 3.28Å; D206-K210 WeakPolarHBondContact OD2-CE 3.21Å; D206-K210 IonicContact OD2-NZ 2.88Å; D206-K210 PolarHBondContact OD2-NZ 3.31Å; D206-Y288 VanDerWaalsContact CA-OH 3.24Å; D206-Y288 WeakPolarHBondContact CA-OH 3.24Å; D206-Y288 HydrophobicContact CB-CE2 4.3Å; D206-Y288 VanDerWaalsContact CB-OH 3.26Å; D206-Y288 WeakPolarHBondContact CB-OH 3.35Å; D206-Y288 WeakPolarHBondContact OD1-CE2 3.28Å; D206-Y288 PolarHBondContact OD1-OH 2.82Å
207F94.5Very high93.8Very high128 Ų12851.8 Ų51.856%0.56126%0.264SS*.Hα-helixtrans-58-45.9175.5178.5-94.2000111.4N203 S204 L205 K210 E211N203-F207 WeakPolarHBondContact O-CB 3.43Å; N203-F207 PolarHBondContact O-N 2.86Å; S204-F207 PolarHBondContact O-N 3.29Å; L205-F207 PolarHBondContact O-N 3.34Å; F207-K210 PolarHBondContact O-N 2.78Å; F207-E211 WeakPolarHBondContact O-CB 3.48Å; F207-E211 PolarHBondContact O-N 3.44Å
208K93.9Very high94.2Very high58 Ų5855.1 Ų55.125%0.25228%0.277SS..Hα-helixtrans-68.1-36.6-179.7-71.4-72.3165.2-165.30112.8Y163 L164 L167 S204 L205 D206 E211 A212Y163-K208 HydrophobicContact CE1-CD 4.37Å; L164-K208 HydrophobicContact CD1-CB 3.98Å; L164-K208 HydrophobicContact CG-CB 4.46Å; L167-K208 HydrophobicContact CD1-CG 4.48Å; S204-K208 WeakPolarHBondContact O-CB 3.47Å; S204-K208 VanDerWaalsContact O-CG 3.26Å; S204-K208 WeakPolarHBondContact O-CG 3.46Å; S204-K208 PolarHBondContact O-N 3.05Å; L205-K208 PolarHBondContact O-N 3.03Å; D206-K208 VanDerWaalsContact C-N 3.32Å; D206-K208 PolarHBondContact O-N 2.85Å; K208-E211 WeakPolarHBondContact CD-OE2 3.21Å; K208-E211 IonicContact NZ-OE2 3.61Å; K208-E211 PolarHBondContact NZ-OE2 2.97Å; K208-E211 PolarHBondContact O-N 2.84Å; K208-A212 WeakPolarHBondContact O-CB 3.31Å; K208-A212 PolarHBondContact O-N 3.3Å
209R94.4Very high94.5Very high1 Ų154.7 Ų54.70%0.00428%0.275CS..Hα-helixtrans-61.5-46.8173.1-74.1-179173.6-1674110.9L164 L205 D206 A212 L213 M286 D291 P292 I293L164-R209 HydrophobicContact CD1-CB 4.32Å; L164-R209 HydrophobicContact CD1-CG 3.71Å; L164-R209 HydrophobicContact CD2-CG 3.9Å; L164-R209 HydrophobicContact CG-CG 4.34Å; L205-R209 WeakPolarHBondContact O-CB 3.16Å; L205-R209 VanDerWaalsContact O-CG 3.31Å; L205-R209 WeakPolarHBondContact O-CG 3.31Å; L205-R209 PolarHBondContact O-N 2.92Å; D206-R209 PolarHBondContact O-N 2.71Å; R209-A212 PolarHBondContact O-N 3.16Å; R209-L213 WeakPolarHBondContact O-CB 3.2Å; R209-L213 VanDerWaalsContact O-CG 3.31Å; R209-L213 WeakPolarHBondContact O-CG 3.23Å; R209-L213 PolarHBondContact O-N 3.45Å; R209-M286 PolarHBondContact NH1-O 3.39Å; R209-M286 PolarHBondContact NH2-O 2.9Å; R209-D291 IonicContact NH1-OD1 2.71Å; R209-D291 PolarHBondContact NH1-OD1 2.79Å; R209-D291 VanDerWaalsContact NH1-OD1 3.1Å; R209-D291 IonicContact NH1-OD2 2.85Å; R209-D291 PolarHBondContact NH1-OD2 3.22Å; R209-P292 HydrophobicContact CB-CG 4.15Å; R209-I293 HydrophobicContact CB-CD1 4.43Å; R209-I293 HydrophobicContact CB-CG1 4.48Å; R209-I293 HydrophobicContact CG-CD1 3.85Å; R209-I293 HydrophobicContact CG-CG1 4.42Å
210K94.2Very high94.8Very high101 Ų10150.5 Ų50.544%0.43926%0.256SS..Hα-helixtrans-62.5-43.8176.4-70.5173178.9161.40112D206 F207 S214 P292D206-K210 WeakPolarHBondContact O-CG 3.46Å; D206-K210 PolarHBondContact O-N 3.4Å; D206-K210 WeakPolarHBondContact OD1-CE 3.01Å; D206-K210 IonicContact OD1-NZ 3.02Å; D206-K210 PolarHBondContact OD1-NZ 3.45Å; D206-K210 VanDerWaalsContact OD2-CE 3.28Å; D206-K210 WeakPolarHBondContact OD2-CE 3.21Å; D206-K210 IonicContact OD2-NZ 2.88Å; D206-K210 PolarHBondContact OD2-NZ 3.31Å; F207-K210 PolarHBondContact O-N 2.78Å; K210-S214 VanDerWaalsContact O-CB 3.3Å; K210-S214 WeakPolarHBondContact O-CB 3.4Å; K210-S214 PolarHBondContact O-N 3.2Å; K210-P292 HydrophobicContact CG-CB 4.34Å; K210-P292 HydrophobicContact CG-CG 3.83Å
211E94.5Very high94.9Very high58 Ų5850 Ų5027%0.27125%0.253SS..Hα-helixtrans-61.3-48.1177.9-172.7-175.6-173.200111.6F207 K208 S214 K215F207-E211 WeakPolarHBondContact O-CB 3.48Å; F207-E211 PolarHBondContact O-N 3.44Å; K208-E211 WeakPolarHBondContact CD-OE2 3.21Å; K208-E211 IonicContact NZ-OE2 3.61Å; K208-E211 PolarHBondContact NZ-OE2 2.97Å; K208-E211 PolarHBondContact O-N 2.84Å; E211-S214 PolarHBondContact O-N 2.95Å; E211-K215 HydrophobicContact CG-CD 4.37Å; E211-K215 WeakPolarHBondContact O-CG 3.48Å; E211-K215 PolarHBondContact O-N 3.45Å; E211-K215 WeakPolarHBondContact OE1-CE 3.4Å; E211-K215 IonicContact OE1-NZ 2.73Å; E211-K215 PolarHBondContact OE1-NZ 2.97Å
212A94.1Very high95Very high3 Ų352.1 Ų52.13%0.02526%0.262CS..Hα-helixtrans-61.9-47.9179.300000111.9K208 R209 S214 K215 M216K208-A212 WeakPolarHBondContact O-CB 3.31Å; K208-A212 PolarHBondContact O-N 3.3Å; R209-A212 PolarHBondContact O-N 3.16Å; A212-S214 VanDerWaalsContact C-N 3.32Å; A212-S214 PolarHBondContact O-N 3.45Å; A212-K215 PolarHBondContact O-N 3.36Å; A212-M216 WeakPolarHBondContact O-CB 3.34Å; A212-M216 VanDerWaalsContact O-CG 3.28Å; A212-M216 WeakPolarHBondContact O-CG 3.4Å; A212-M216 PolarHBondContact O-N 3.47Å
213L95Very high95.3Very high1 Ų150.2 Ų50.21%0.00525%0.253CS..Hα-helixtrans-62.4-38.4178-71.1169.9000112.5R209 T217 L279 P292 I293 M300R209-L213 WeakPolarHBondContact O-CB 3.2Å; R209-L213 VanDerWaalsContact O-CG 3.31Å; R209-L213 WeakPolarHBondContact O-CG 3.23Å; R209-L213 PolarHBondContact O-N 3.45Å; L213-T217 WeakPolarHBondContact O-CB 3.26Å; L213-T217 PolarHBondContact O-N 3.12Å; L213-T217 PolarHBondContact O-OG1 3.36Å; L213-L279 HydrophobicContact CD2-CD1 4.03Å; L213-P292 HydrophobicContact CD1-CB 3.67Å; L213-P292 HydrophobicContact CD1-CG 3.77Å; L213-I293 HydrophobicContact CD1-CG1 4.03Å; L213-M300 HydrophobicContact CD2-SD 3.89Å
214S95.1Very high95.3Very high76 Ų7646.8 Ų46.853%0.53124%0.235SC..Hα-helixtrans-62.6-49.4175.5-176.60000111.7K210 E211 A212 M216 T217 Q218K210-S214 VanDerWaalsContact O-CB 3.3Å; K210-S214 WeakPolarHBondContact O-CB 3.4Å; K210-S214 PolarHBondContact O-N 3.2Å; E211-S214 PolarHBondContact O-N 2.95Å; A212-S214 VanDerWaalsContact C-N 3.32Å; A212-S214 PolarHBondContact O-N 3.45Å; S214-M216 PolarHBondContact O-N 3.27Å; S214-T217 WeakPolarHBondContact O-CB 3.38Å; S214-T217 PolarHBondContact O-N 3.06Å; S214-Q218 PolarHBondContact O-N 3.48Å
215K95.6Very high95.3Very high65 Ų6548.6 Ų48.628%0.28324%0.24SC..Hα-helixtrans-59.3-46.9176.1-72.7170.8175.4167.10111.7T157 D160 E211 A212 T217 Q218 I219T157-K215 HydrophobicContact CG2-CB 3.8Å; T157-K215 HydrophobicContact CG2-CD 4.46Å; D160-K215 WeakPolarHBondContact OD2-CD 3.43Å; D160-K215 IonicContact OD2-NZ 2.77Å; D160-K215 PolarHBondContact OD2-NZ 2.91Å; E211-K215 HydrophobicContact CG-CD 4.37Å; E211-K215 WeakPolarHBondContact O-CG 3.48Å; E211-K215 PolarHBondContact O-N 3.45Å; E211-K215 WeakPolarHBondContact OE1-CE 3.4Å; E211-K215 IonicContact OE1-NZ 2.73Å; E211-K215 PolarHBondContact OE1-NZ 2.97Å; A212-K215 PolarHBondContact O-N 3.36Å; K215-T217 VanDerWaalsContact C-N 3.31Å; K215-T217 PolarHBondContact O-N 2.84Å; K215-Q218 WeakPolarHBondContact O-CB 3.24Å; K215-Q218 PolarHBondContact O-N 3.33Å; K215-I219 WeakPolarHBondContact O-CG1 3.43Å; K215-I219 PolarHBondContact O-N 2.92Å
216M96.7Very high95.3Very high0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-61.1-39.7176.9-72.2-177.3-168.600111.8T157 T161 A212 S214 I219 I220 L272 Q275 L276 L279 M300T157-M216 HydrophobicContact CG2-CG 4.33Å; T161-M216 VanDerWaalsContact OG1-CE 3.24Å; T161-M216 WeakPolarHBondContact OG1-CE 3.48Å; A212-M216 WeakPolarHBondContact O-CB 3.34Å; A212-M216 VanDerWaalsContact O-CG 3.28Å; A212-M216 WeakPolarHBondContact O-CG 3.4Å; A212-M216 PolarHBondContact O-N 3.47Å; S214-M216 PolarHBondContact O-N 3.27Å; M216-I219 PolarHBondContact O-N 3.37Å; M216-I220 VanDerWaalsContact O-CG1 3.28Å; M216-I220 WeakPolarHBondContact O-CG1 3.34Å; M216-I220 PolarHBondContact O-N 3.24Å; M216-L272 HydrophobicContact CB-CD1 3.99Å; M216-L272 HydrophobicContact CG-CD1 3.63Å; M216-L272 HydrophobicContact SD-CD1 4.05Å; M216-Q275 HydrophobicContact CE-CB 3.82Å; M216-L276 HydrophobicContact SD-CD2 3.89Å; M216-L276 HydrophobicContact SD-CG 4.45Å; M216-L279 HydrophobicContact CE-CD1 3.72Å; M216-L279 HydrophobicContact SD-CD1 3.83Å; M216-M300 HydrophobicContact CB-CE 3.38Å
217T96.6Very high95.2Very high66 Ų6647.4 Ų47.441%0.40523%0.233SC..Hα-helixtrans-62.6-43.2176.3-61.70000111.6L213 S214 K215 I220 H221 M300L213-T217 WeakPolarHBondContact O-CB 3.26Å; L213-T217 PolarHBondContact O-N 3.12Å; L213-T217 PolarHBondContact O-OG1 3.36Å; S214-T217 WeakPolarHBondContact O-CB 3.38Å; S214-T217 PolarHBondContact O-N 3.06Å; K215-T217 VanDerWaalsContact C-N 3.31Å; K215-T217 PolarHBondContact O-N 2.84Å; T217-I220 PolarHBondContact O-N 3Å; T217-H221 PolarHBondContact O-N 3.04Å; T217-M300 WeakPolarHBondContact OG1-CE 3.43Å
218Q96.9Very high95Very high110 Ų11044.2 Ų44.251%0.51422%0.222SC..Hα-helixtrans-60.4-45.8175.1-178.1-179.8-8.500111.4S214 K215 I220 H221 E222S214-Q218 PolarHBondContact O-N 3.48Å; K215-Q218 WeakPolarHBondContact O-CB 3.24Å; K215-Q218 PolarHBondContact O-N 3.33Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; Q218-I220 PolarHBondContact O-N 3.12Å; Q218-H221 WeakPolarHBondContact O-CB 3.43Å; Q218-H221 PolarHBondContact O-N 3.11Å; Q218-H221 VanDerWaalsContact O-N 3.17Å; Q218-E222 HydrophobicContact CG-CG 4.4Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.5Å; Q218-E222 PolarHBondContact NE2-OE1 3.3Å; Q218-E222 WeakPolarHBondContact O-CG 3.32Å; Q218-E222 PolarHBondContact O-N 3.34Å
219I97.1Very high94.7Very high7 Ų745.5 Ų45.54%0.03623%0.232CC..Hα-helixtrans-59.7-43.5177.8-68.4167.6000111.5I150 V154 T157 K215 M216 H221 E222 T223 L272I150-I219 HydrophobicContact CG2-CG2 4.25Å; V154-I219 HydrophobicContact CG2-CD1 4.21Å; V154-I219 HydrophobicContact CG2-CG2 3.57Å; T157-I219 HydrophobicContact CG2-CD1 3.55Å; K215-I219 WeakPolarHBondContact O-CG1 3.43Å; K215-I219 PolarHBondContact O-N 2.92Å; M216-I219 PolarHBondContact O-N 3.37Å; I219-H221 VanDerWaalsContact C-N 3.31Å; I219-H221 PolarHBondContact O-N 2.99Å; I219-E222 PolarHBondContact O-N 3.19Å; I219-T223 VanDerWaalsContact O-CB 3.3Å; I219-T223 WeakPolarHBondContact O-CB 3.48Å; I219-T223 PolarHBondContact O-N 2.91Å; I219-T223 PolarHBondContact O-OG1 3.23Å; I219-L272 HydrophobicContact CG2-CD2 4.25Å
220I97.4Very high94.5Very high10 Ų1046.5 Ų46.55%0.05124%0.237CC..Hα-helixtrans-60.5-44.1177.2-67.4167.3000110.2M216 T217 Q218 T223 D224 L272 M300 R303 V304 L307M216-I220 VanDerWaalsContact O-CG1 3.28Å; M216-I220 WeakPolarHBondContact O-CG1 3.34Å; M216-I220 PolarHBondContact O-N 3.24Å; T217-I220 PolarHBondContact O-N 3Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; Q218-I220 PolarHBondContact O-N 3.12Å; I220-T223 PolarHBondContact O-N 3.15Å; I220-D224 PolarHBondContact O-N 3.1Å; I220-L272 HydrophobicContact CD1-CD2 4.09Å; I220-L272 HydrophobicContact CG1-CD2 3.49Å; I220-L272 VanDerWaalsContact CG1-CD2 3.49Å; I220-M300 HydrophobicContact CD1-CB 3.89Å; I220-M300 HydrophobicContact CD1-CE 3.76Å; I220-M300 HydrophobicContact CD1-CG 4.15Å; I220-R303 HydrophobicContact CG2-CB 4.13Å; I220-R303 HydrophobicContact CG2-CG 3.5Å; I220-R303 VanDerWaalsContact CG2-CG 3.5Å; I220-V304 HydrophobicContact CD1-CG2 3.64Å; I220-V304 HydrophobicContact CG1-CG2 3.76Å; I220-L307 HydrophobicContact CG2-CD1 3.98Å
221H96.2Very high94.3Very high122 Ų12241.8 Ų41.857%0.56522%0.216SC*.Hα-helixtrans-64.3-47.2178.9-178.568.3000112.3T217 Q218 I219 T223 D224 L225T217-H221 PolarHBondContact O-N 3.04Å; Q218-H221 WeakPolarHBondContact O-CB 3.43Å; Q218-H221 PolarHBondContact O-N 3.11Å; Q218-H221 VanDerWaalsContact O-N 3.17Å; I219-H221 VanDerWaalsContact C-N 3.31Å; I219-H221 PolarHBondContact O-N 2.99Å; H221-T223 VanDerWaalsContact C-N 3.3Å; H221-T223 PolarHBondContact O-N 2.93Å; H221-D224 PolarHBondContact O-N 3.5Å; H221-L225 PolarHBondContact O-N 3.15Å
222E96.1Very high94.2Very high71 Ų7140.5 Ų40.533%0.33221%0.211SC..Hα-helixtrans-61.9-38.8176.9-72176.9-172.800111.9I150 Q218 I219 L225 L226I150-E222 HydrophobicContact CD1-CB 4.49Å; Q218-E222 HydrophobicContact CG-CG 4.4Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.5Å; Q218-E222 PolarHBondContact NE2-OE1 3.3Å; Q218-E222 WeakPolarHBondContact O-CG 3.32Å; Q218-E222 PolarHBondContact O-N 3.34Å; I219-E222 PolarHBondContact O-N 3.19Å; E222-L225 PolarHBondContact O-N 2.96Å; E222-L226 VanDerWaalsContact O-CB 3.3Å; E222-L226 WeakPolarHBondContact O-CB 3.42Å; E222-L226 PolarHBondContact O-N 3.16Å
223T96.6Very high94Very high2 Ų244.6 Ų44.61%0.01223%0.229CC..Hα-helixtrans-64.2-46176.4-59.80000112I219 I220 H221 L226 M227 L265 L269 L307I219-T223 VanDerWaalsContact O-CB 3.3Å; I219-T223 WeakPolarHBondContact O-CB 3.48Å; I219-T223 PolarHBondContact O-N 2.91Å; I219-T223 PolarHBondContact O-OG1 3.23Å; I220-T223 PolarHBondContact O-N 3.15Å; H221-T223 VanDerWaalsContact C-N 3.3Å; H221-T223 PolarHBondContact O-N 2.93Å; T223-L226 PolarHBondContact O-N 3.36Å; T223-M227 WeakPolarHBondContact O-CB 3.32Å; T223-M227 PolarHBondContact O-N 3.29Å; T223-L265 HydrophobicContact CG2-CD1 3.72Å; T223-L265 HydrophobicContact CG2-CD2 4.26Å; T223-L265 HydrophobicContact CG2-CG 4.12Å; T223-L269 HydrophobicContact CG2-CD1 4.38Å; T223-L269 HydrophobicContact CG2-CD2 3.86Å; T223-L269 HydrophobicContact CG2-CG 4.26Å; T223-L307 HydrophobicContact CG2-CD1 4.25Å
224D95Very high93.8Very high21 Ų2144.6 Ų44.611%0.11223%0.23CC..Hα-helixtrans-62.5-43.6177.8-172.950.2000111.6I220 H221 M227 N228 R303 L307I220-D224 PolarHBondContact O-N 3.1Å; H221-D224 PolarHBondContact O-N 3.5Å; D224-M227 PolarHBondContact O-N 2.98Å; D224-N228 PolarHBondContact O-N 3.49Å; D224-N228 PolarHBondContact O-ND2 3.4Å; D224-N228 VanDerWaalsContact O-ND2 3.07Å; D224-N228 PolarHBondContact OD1-ND2 3.01Å; D224-R303 VanDerWaalsContact CG-NH2 3.31Å; D224-R303 IonicContact OD1-NH1 3.48Å; D224-R303 IonicContact OD1-NH2 3.07Å; D224-R303 IonicContact OD2-CZ 2.76Å; D224-R303 IonicContact OD2-NH1 3.73Å; D224-R303 IonicContact OD2-NH2 3.68Å; D224-R303 PolarHBondContact OD2-NH2 3.28Å; D224-L307 HydrophobicContact CB-CD1 4.49Å; D224-L307 HydrophobicContact CB-CD2 3.86Å; D224-L307 VanDerWaalsContact OD1-CD2 3.31Å; D224-L307 WeakPolarHBondContact OD1-CD2 3.43Å
225L94.1Very high93.6Very high87 Ų8741 Ų4146%0.45520%0.204SC..Hα-helixtrans-62.5-45.8177.5-168.977.7000111.7H221 E222 N229H221-L225 PolarHBondContact O-N 3.15Å; E222-L225 PolarHBondContact O-N 2.96Å; L225-N229 WeakPolarHBondContact CD1-ND2 3.12Å; L225-N229 VanDerWaalsContact O-CB 3.31Å; L225-N229 WeakPolarHBondContact O-CB 3.14Å; L225-N229 PolarHBondContact O-N 2.82Å; L225-N229 VanDerWaalsContact O-N 3.07Å
226L94.1Very high93.4Very high6 Ų642.3 Ų42.33%0.03121%0.212CC..Hα-helixtrans-62.6-44.2178.3179.267.8000111.6K146 V147 I150 E222 T223 M230 L231K146-L226 HydrophobicContact CB-CD1 3.69Å; K146-L226 HydrophobicContact CB-CD2 4.13Å; K146-L226 HydrophobicContact CD-CD1 3.8Å; K146-L226 HydrophobicContact CG-CD1 4.41Å; V147-L226 HydrophobicContact CG2-CD2 3.68Å; I150-L226 HydrophobicContact CD1-CB 4.34Å; I150-L226 HydrophobicContact CD1-CD2 3.54Å; E222-L226 VanDerWaalsContact O-CB 3.3Å; E222-L226 WeakPolarHBondContact O-CB 3.42Å; E222-L226 PolarHBondContact O-N 3.16Å; T223-L226 PolarHBondContact O-N 3.36Å; L226-M230 HydrophobicContact CD1-CB 4.16Å; L226-M230 HydrophobicContact CD1-CG 4.38Å; L226-M230 HydrophobicContact CD1-SD 3.76Å; L226-M230 WeakPolarHBondContact O-CB 3.3Å; L226-M230 PolarHBondContact O-N 2.95Å; L226-M230 VanDerWaalsContact O-N 3.15Å; L226-L231 PolarHBondContact O-N 3.06Å
227M92Very high93Very high2 Ų245.5 Ų45.51%0.0123%0.229CC..Iπ-helixtrans-63.6-50.9-178.1-173.5-178.761.400111.1T223 D224 I232 L307 N310 L311T223-M227 WeakPolarHBondContact O-CB 3.32Å; T223-M227 PolarHBondContact O-N 3.29Å; D224-M227 PolarHBondContact O-N 2.98Å; M227-I232 HydrophobicContact CG-CD1 4.23Å; M227-I232 HydrophobicContact CG-CG1 4.44Å; M227-I232 VanDerWaalsContact O-CG1 3.29Å; M227-I232 WeakPolarHBondContact O-CG1 3.3Å; M227-I232 PolarHBondContact O-N 3.07Å; M227-L307 HydrophobicContact CE-CD2 3.35Å; M227-L307 HydrophobicContact SD-CD2 4.4Å; M227-N310 HydrophobicContact CE-CB 4.08Å; M227-N310 WeakPolarHBondContact CE-ND2 2.9Å; M227-N310 HydrophobicContact SD-CB 4.27Å; M227-L311 HydrophobicContact SD-CB 4.27Å; M227-L311 HydrophobicContact SD-CD1 4.41Å
228N88.5Confident92.7Very high61 Ų6143.2 Ų43.233%0.32621%0.212SC..Iπ-helixtrans-75.6-38.2-173.5-64.4-41.5000113.4D224D224-N228 PolarHBondContact O-N 3.49Å; D224-N228 PolarHBondContact O-ND2 3.4Å; D224-N228 VanDerWaalsContact O-ND2 3.07Å; D224-N228 PolarHBondContact OD1-ND2 3.01Å
229N87.7Confident92.5Very high85 Ų8541.2 Ų41.246%0.45520%0.202SC..Iπ-helixtrans-97.2-13.5-171.2-60.6-12.7000113.9L225L225-N229 WeakPolarHBondContact CD1-ND2 3.12Å; L225-N229 VanDerWaalsContact O-CB 3.31Å; L225-N229 WeakPolarHBondContact O-CB 3.14Å; L225-N229 PolarHBondContact O-N 2.82Å; L225-N229 VanDerWaalsContact O-N 3.07Å
230M90.3Very high92.1Very high23 Ų2342.8 Ų42.811%0.11321%0.208CC..Iπ-helixtrans-131.4-56.3-175.3-53-176.867.200112.4N142 V143 K146 L226 E233 E234N142-M230 HydrophobicContact CB-CE 4.3Å; V143-M230 HydrophobicContact CG2-CB 3.86Å; V143-M230 HydrophobicContact CG2-CE 3.8Å; K146-M230 HydrophobicContact CD-CE 4.32Å; K146-M230 HydrophobicContact CD-SD 3.76Å; K146-M230 PolarHBondContact NZ-SD 3.23Å; K146-M230 VanDerWaalsContact NZ-SD 3.37Å; L226-M230 HydrophobicContact CD1-CB 4.16Å; L226-M230 HydrophobicContact CD1-CG 4.38Å; L226-M230 HydrophobicContact CD1-SD 3.76Å; L226-M230 WeakPolarHBondContact O-CB 3.3Å; L226-M230 PolarHBondContact O-N 2.95Å; L226-M230 VanDerWaalsContact O-N 3.15Å; M230-E233 PolarHBondContact O-N 3.2Å; M230-E234 WeakPolarHBondContact O-CG 3.32Å; M230-E234 PolarHBondContact O-N 2.95Å
231L91.6Very high91.7Very high1 Ų143 Ų431%0.00521%0.208CC..Iπ-helixtrans-67.5-44.2-172.1-172.664000112.5V143 L226 E234 L235 L258 C261 F262 L265 L311V143-L231 HydrophobicContact CG1-CD1 4.1Å; L226-L231 PolarHBondContact O-N 3.06Å; L231-E234 PolarHBondContact O-N 3.03Å; L231-L235 PolarHBondContact O-N 2.59Å; L231-L235 VanDerWaalsContact O-N 3.1Å; L231-L258 HydrophobicContact CD1-CD2 4.27Å; L231-C261 HydrophobicContact CD1-CB 3.92Å; L231-F262 HydrophobicContact CD1-CD2 3.78Å; L231-F262 HydrophobicContact CD1-CE2 3.54Å; L231-F262 HydrophobicContact CD1-CZ 4.4Å; L231-F262 HydrophobicContact CD2-CD1 4.44Å; L231-F262 HydrophobicContact CD2-CD2 3.94Å; L231-F262 HydrophobicContact CD2-CE1 4.27Å; L231-F262 HydrophobicContact CD2-CE2 3.77Å; L231-F262 HydrophobicContact CD2-CG 4.28Å; L231-F262 HydrophobicContact CD2-CZ 3.94Å; L231-F262 HydrophobicContact CG-CD2 4.04Å; L231-F262 HydrophobicContact CG-CE2 3.5Å; L231-F262 HydrophobicContact CG-CZ 3.86Å; L231-L265 HydrophobicContact CD2-CD2 3.97Å; L231-L311 HydrophobicContact CD2-CD1 3.81Å
232I91.2Very high91.5Very high31 Ų3138.4 Ų38.416%0.15919%0.187CC..Hα-helixtrans-67.1-39.5177.8-68.5172.3000110.7M227 L235 Q236M227-I232 HydrophobicContact CG-CD1 4.23Å; M227-I232 HydrophobicContact CG-CG1 4.44Å; M227-I232 VanDerWaalsContact O-CG1 3.29Å; M227-I232 WeakPolarHBondContact O-CG1 3.3Å; M227-I232 PolarHBondContact O-N 3.07Å; I232-L235 WeakPolarHBondContact O-CB 3.33Å; I232-L235 PolarHBondContact O-N 3.38Å; I232-Q236 WeakPolarHBondContact O-CG 3.38Å; I232-Q236 PolarHBondContact O-N 3.2Å
233E90.5Very high91.3Very high89 Ų8935.3 Ų35.342%0.41617%0.172SC..Hα-helixtrans-62.4-45.8176.4-68.7-168-166.400111.8R139 M230 L235 Q236 D237R139-E233 IonicContact CZ-OE2 2.72Å; R139-E233 IonicContact NH1-OE2 3.45Å; R139-E233 PolarHBondContact NH1-OE2 2.98Å; R139-E233 VanDerWaalsContact NH2-CB 3.27Å; R139-E233 IonicContact NH2-OE2 3.48Å; R139-E233 PolarHBondContact NH2-OE2 3.04Å; M230-E233 PolarHBondContact O-N 3.2Å; E233-L235 VanDerWaalsContact C-N 3.25Å; E233-L235 PolarHBondContact O-N 2.98Å; E233-Q236 PolarHBondContact O-N 2.88Å; E233-Q236 VanDerWaalsContact O-N 3.07Å; E233-D237 PolarHBondContact O-N 3.18Å
234E90.4Very high91.1Very high2 Ų235.2 Ų35.21%0.00917%0.172CC..Hα-helixtrans-58.9-37.1174.3-78.4-60.5140.600112.7R139 Q140 V143 M230 L231 D237 W238 R241 L258R139-E234 WeakPolarHBondContact CD-OE1 3.47Å; R139-E234 WeakPolarHBondContact CG-OE1 3.41Å; R139-E234 IonicContact CZ-OE1 3.34Å; R139-E234 IonicContact NE-OE1 3.88Å; R139-E234 PolarHBondContact NE-OE1 3.02Å; Q140-E234 WeakPolarHBondContact CG-OE2 3.45Å; Q140-E234 PolarHBondContact NE2-OE2 3.32Å; Q140-E234 VanDerWaalsContact NE2-OE2 3.07Å; V143-E234 HydrophobicContact CG2-CG 4.16Å; M230-E234 WeakPolarHBondContact O-CG 3.32Å; M230-E234 PolarHBondContact O-N 2.95Å; L231-E234 PolarHBondContact O-N 3.03Å; E234-D237 PolarHBondContact O-N 3.07Å; E234-W238 WeakPolarHBondContact O-CB 3.39Å; E234-W238 PolarHBondContact O-N 2.98Å; E234-R241 IonicContact OE2-NH2 2.72Å; E234-L258 HydrophobicContact CB-CD2 4.04Å
235L92Very high90.8Very high0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-66.1-40.7175.3-179.665.8000111.8L231 I232 E233 W238 K239 L258 F262 N314 V317 L347L231-L235 PolarHBondContact O-N 2.59Å; L231-L235 VanDerWaalsContact O-N 3.1Å; I232-L235 WeakPolarHBondContact O-CB 3.33Å; I232-L235 PolarHBondContact O-N 3.38Å; E233-L235 VanDerWaalsContact C-N 3.25Å; E233-L235 PolarHBondContact O-N 2.98Å; L235-W238 HydrophobicContact CD1-CE3 4.31Å; L235-W238 PolarHBondContact O-N 3.21Å; L235-K239 WeakPolarHBondContact O-CG 3.29Å; L235-K239 PolarHBondContact O-N 3.27Å; L235-L258 HydrophobicContact CD1-CD1 4.23Å; L235-F262 HydrophobicContact CD2-CZ 4.05Å; L235-N314 HydrophobicContact CD2-CB 4.01Å; L235-N314 WeakPolarHBondContact CD2-O 3.48Å; L235-V317 HydrophobicContact CD1-CG1 4.17Å; L235-L347 HydrophobicContact CD1-CD1 3.82Å
236Q90.5Very high90.7Very high93 Ų9332.2 Ų32.244%0.43516%0.161SC..Hα-helixtrans-66.5-41.2175.8-63.8-57.6-24.200111.4I232 E233 W238 K239 R240I232-Q236 WeakPolarHBondContact O-CG 3.38Å; I232-Q236 PolarHBondContact O-N 3.2Å; E233-Q236 PolarHBondContact O-N 2.88Å; E233-Q236 VanDerWaalsContact O-N 3.07Å; Q236-W238 VanDerWaalsContact C-N 3.29Å; Q236-W238 PolarHBondContact O-N 3.36Å; Q236-K239 WeakPolarHBondContact O-CB 3.32Å; Q236-K239 PolarHBondContact O-N 3.26Å; Q236-K239 VanDerWaalsContact O-N 3.15Å; Q236-R240 PolarHBondContact O-N 3.46Å
237D88.4Confident90.7Very high67 Ų6732 Ų3236%0.35816%0.159SC..Hα-helixtrans-63-37.5174.7-73.1-17.9000111.5R139 E233 E234 R240 R241R139-D237 IonicContact NH1-OD2 3.04Å; E233-D237 PolarHBondContact O-N 3.18Å; E234-D237 PolarHBondContact O-N 3.07Å; D237-R240 PolarHBondContact O-N 3.46Å; D237-R241 WeakPolarHBondContact O-CB 3.43Å; D237-R241 WeakPolarHBondContact O-CG 3.48Å; D237-R241 PolarHBondContact O-N 3.12Å; D237-R241 PolarHBondContact O-NE 3.32Å
238W90.4Very high90.5Very high17 Ų1732.8 Ų32.86%0.06417%0.168CC..Hα-helixtrans-64.8-43.8171.6178.284.8000112.2E234 L235 Q236 R240 R241 Q242 L255 L258 V317E234-W238 WeakPolarHBondContact O-CB 3.39Å; E234-W238 PolarHBondContact O-N 2.98Å; L235-W238 HydrophobicContact CD1-CE3 4.31Å; L235-W238 PolarHBondContact O-N 3.21Å; Q236-W238 VanDerWaalsContact C-N 3.29Å; Q236-W238 PolarHBondContact O-N 3.36Å; W238-R240 VanDerWaalsContact C-N 3.31Å; W238-R240 PolarHBondContact O-N 3.24Å; W238-R241 WeakPolarHBondContact O-CB 3.05Å; W238-R241 PolarHBondContact O-N 2.99Å; W238-Q242 HydrophobicContact CZ2-CB 4.47Å; W238-Q242 PolarHBondContact O-N 3.2Å; W238-L255 HydrophobicContact CD2-CD1 3.79Å; W238-L255 VanDerWaalsContact CE2-CD1 3.48Å; W238-L255 HydrophobicContact CE3-CD1 4.1Å; W238-L255 HydrophobicContact CG-CD1 4.46Å; W238-L255 HydrophobicContact CH2-CD1 3.84Å; W238-L255 HydrophobicContact CH2-CD2 4.16Å; W238-L255 HydrophobicContact CZ2-CB 4.45Å; W238-L255 HydrophobicContact CZ2-CD1 3.52Å; W238-L255 HydrophobicContact CZ2-CD2 3.79Å; W238-L255 HydrophobicContact CZ2-CG 4.13Å; W238-L255 HydrophobicContact CZ3-CD1 4.12Å; W238-L258 HydrophobicContact CB-CD1 3.78Å; W238-L258 HydrophobicContact CG-CD1 3.94Å; W238-V317 HydrophobicContact CZ3-CB 4.36Å; W238-V317 HydrophobicContact CZ3-CG2 4.38Å
239K91.4Very high90.5Very high68 Ų6830.4 Ų30.430%0.29616%0.158SC..Hα-helixtrans-60.5-41175.4-74.2177.5180178.60111.5L235 Q236 Q242 Q243L235-K239 WeakPolarHBondContact O-CG 3.29Å; L235-K239 PolarHBondContact O-N 3.27Å; Q236-K239 WeakPolarHBondContact O-CB 3.32Å; Q236-K239 PolarHBondContact O-N 3.26Å; Q236-K239 VanDerWaalsContact O-N 3.15Å; K239-Q242 PolarHBondContact O-N 3.33Å; K239-Q243 WeakPolarHBondContact O-CB 3.3Å; K239-Q243 PolarHBondContact O-N 2.92Å
240R90.1Very high90.1Very high41 Ų4127.8 Ų27.816%0.15515%0.146CC..Hα-helixtrans-63.6-43.3174.5-179.655.5177.1169.2-2.9111.7Q236 D237 W238 Q242 Q243 I244 N471 V472 T474 N475Q236-R240 PolarHBondContact O-N 3.46Å; D237-R240 PolarHBondContact O-N 3.46Å; W238-R240 VanDerWaalsContact C-N 3.31Å; W238-R240 PolarHBondContact O-N 3.24Å; R240-Q242 PolarHBondContact O-N 2.98Å; R240-Q243 VanDerWaalsContact NH1-CD 3.35Å; R240-Q243 WeakPolarHBondContact O-CB 3.31Å; R240-Q243 PolarHBondContact O-N 3.46Å; R240-I244 WeakPolarHBondContact O-CG1 3.28Å; R240-I244 PolarHBondContact O-N 3Å; R240-N471 PolarHBondContact NH1-O 3.04Å; R240-V472 PolarHBondContact NH2-O 3.49Å; R240-T474 PolarHBondContact NH1-O 3.45Å; R240-N475 WeakPolarHBondContact CD-OD1 3.38Å; R240-N475 PolarHBondContact NE-OD1 2.99Å; R240-N475 PolarHBondContact NH1-OD1 2.83Å
241R88.6Confident89Confident15 Ų1533.3 Ų33.36%0.05718%0.175CC..Hα-helixtrans-59-45.1173.1-79.7176-75159.1-13.1111.8L131 E234 D237 W238 Q243 I244 A245 H252L131-R241 HydrophobicContact CD2-CG 3.75Å; E234-R241 IonicContact OE2-NH2 2.72Å; D237-R241 WeakPolarHBondContact O-CB 3.43Å; D237-R241 WeakPolarHBondContact O-CG 3.48Å; D237-R241 PolarHBondContact O-N 3.12Å; D237-R241 PolarHBondContact O-NE 3.32Å; W238-R241 WeakPolarHBondContact O-CB 3.05Å; W238-R241 PolarHBondContact O-N 2.99Å; R241-Q243 VanDerWaalsContact C-N 3.32Å; R241-Q243 PolarHBondContact O-N 2.84Å; R241-I244 PolarHBondContact O-N 3.41Å; R241-A245 WeakPolarHBondContact O-CB 3.36Å; R241-A245 PolarHBondContact O-N 3.29Å; R241-H252 PolarHBondContact NH1-CD2 3.34Å; R241-H252 VanDerWaalsContact NH1-CD2 3.28Å
242Q91.6Very high87.8Confident25 Ų2537.5 Ų37.512%0.11720%0.195CC..Hα-helixtrans-60.9-42.7176.3-172.3-166.356.600111.5W238 K239 R240 I244 A245 C246 V318 E319W238-Q242 HydrophobicContact CZ2-CB 4.47Å; W238-Q242 PolarHBondContact O-N 3.2Å; K239-Q242 PolarHBondContact O-N 3.33Å; R240-Q242 PolarHBondContact O-N 2.98Å; Q242-I244 VanDerWaalsContact C-N 3.35Å; Q242-I244 PolarHBondContact O-N 2.92Å; Q242-A245 PolarHBondContact O-N 3.19Å; Q242-C246 PolarHBondContact O-N 3.48Å; Q242-C246 PolarHBondContact O-SG 3.07Å; Q242-V318 PolarHBondContact NE2-O 3.13Å; Q242-V318 PolarHBondContact OE1-O 2.68Å; Q242-E319 VanDerWaalsContact NE2-C 3.34Å; Q242-E319 PolarHBondContact NE2-O 2.9Å
243Q91.9Very high86.7Confident6 Ų640.8 Ų40.83%0.02821%0.212CC..Hα-helixtrans-58.4-46177.3-167.2-172.513.700111.8K239 R240 R241 C246 L449 N471 T474K239-Q243 WeakPolarHBondContact O-CB 3.3Å; K239-Q243 PolarHBondContact O-N 2.92Å; R240-Q243 VanDerWaalsContact NH1-CD 3.35Å; R240-Q243 WeakPolarHBondContact O-CB 3.31Å; R240-Q243 PolarHBondContact O-N 3.46Å; R241-Q243 VanDerWaalsContact C-N 3.32Å; R241-Q243 PolarHBondContact O-N 2.84Å; Q243-C246 WeakPolarHBondContact O-CB 3.44Å; Q243-C246 PolarHBondContact O-N 3.15Å; Q243-L449 HydrophobicContact CB-CD1 4.13Å; Q243-L449 HydrophobicContact CG-CD1 3.86Å; Q243-L449 HydrophobicContact CG-CD2 4.2Å; Q243-N471 HydrophobicContact CG-CB 3.9Å; Q243-N471 WeakPolarHBondContact CG-OD1 3.44Å; Q243-N471 PolarHBondContact NE2-OD1 2.7Å; Q243-T474 PolarHBondContact NE2-O 3.46Å; Q243-T474 PolarHBondContact OE1-O 3.17Å
244I91.6Very high86Confident0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-68.8-39.8176.7-66.5-56.9000111.9L127 L131 R240 R241 Q242 C246 I247 G249 W500L127-I244 HydrophobicContact CD2-CD1 4.01Å; L131-I244 HydrophobicContact CD1-CB 4.18Å; L131-I244 HydrophobicContact CD1-CG1 4.32Å; L131-I244 HydrophobicContact CD1-CG2 3.75Å; R240-I244 WeakPolarHBondContact O-CG1 3.28Å; R240-I244 PolarHBondContact O-N 3Å; R241-I244 PolarHBondContact O-N 3.41Å; Q242-I244 VanDerWaalsContact C-N 3.35Å; Q242-I244 PolarHBondContact O-N 2.92Å; I244-C246 VanDerWaalsContact C-N 3.26Å; I244-C246 PolarHBondContact O-N 2.79Å; I244-I247 HydrophobicContact CD1-CD1 4.15Å; I244-I247 WeakPolarHBondContact O-CG1 3.48Å; I244-I247 PolarHBondContact O-N 3.25Å; I244-I247 VanDerWaalsContact O-N 3.14Å; I244-G249 PolarHBondContact O-N 3.15Å; I244-W500 HydrophobicContact CG2-CE3 4.34Å; I244-W500 HydrophobicContact CG2-CH2 3.55Å; I244-W500 HydrophobicContact CG2-CZ2 4.5Å; I244-W500 HydrophobicContact CG2-CZ3 3.46Å; I244-W500 VanDerWaalsContact CG2-CZ3 3.46Å
245A90.1Very high85.9Confident25 Ų2537.3 Ų37.321%0.20720%0.198CC..Hα-helixtrans-62.4-33.8175.200000112.1R241 Q242 I247 G248 L251R241-A245 WeakPolarHBondContact O-CB 3.36Å; R241-A245 PolarHBondContact O-N 3.29Å; Q242-A245 PolarHBondContact O-N 3.19Å; A245-I247 PolarHBondContact O-N 3.02Å; A245-G248 PolarHBondContact O-N 3.25Å; A245-L251 HydrophobicContact CB-CD1 4.33Å
246C92.1Very high85.7Confident20 Ų2040.5 Ų40.514%0.13522%0.215CC..Hα-helixtrans-60.4-32.2175.8-71.10000112.4Q242 Q243 I244 G248 P331 W464Q242-C246 PolarHBondContact O-N 3.48Å; Q242-C246 PolarHBondContact O-SG 3.07Å; Q243-C246 WeakPolarHBondContact O-CB 3.44Å; Q243-C246 PolarHBondContact O-N 3.15Å; I244-C246 VanDerWaalsContact C-N 3.26Å; I244-C246 PolarHBondContact O-N 2.79Å; C246-G248 VanDerWaalsContact C-N 3.32Å; C246-P331 HydrophobicContact CB-CG 4.14Å; C246-P331 WeakPolarHBondContact O-CG 3.45Å; C246-W464 WeakPolarHBondContact O-CH2 3.31Å
247I93.2Very high85.6Confident0 Ų039.5 Ų39.50%021%0.21CC..THydrogen-bonded Turntrans-93.818177.161.7171.8000113.1I244 A245 W464 I467 I468 N471 V472 V497 Q501I244-I247 HydrophobicContact CD1-CD1 4.15Å; I244-I247 WeakPolarHBondContact O-CG1 3.48Å; I244-I247 PolarHBondContact O-N 3.25Å; I244-I247 VanDerWaalsContact O-N 3.14Å; A245-I247 PolarHBondContact O-N 3.02Å; I247-W464 HydrophobicContact CB-CH2 4.47Å; I247-W464 HydrophobicContact CG2-CH2 4.18Å; I247-I467 HydrophobicContact CG2-CG2 4.31Å; I247-I468 HydrophobicContact CG2-CG1 4.46Å; I247-N471 HydrophobicContact CD1-CB 4.22Å; I247-N471 HydrophobicContact CG2-CB 3.79Å; I247-V472 HydrophobicContact CD1-CG2 3.52Å; I247-V497 HydrophobicContact CD1-CG1 3.99Å; I247-V497 HydrophobicContact CD1-CG2 4.15Å; I247-Q501 PolarHBondContact O-NE2 2.92Å
248G88.8Confident85.8Confident19 Ų1936.9 Ų36.920%0.19620%0.196CC..THydrogen-bonded Turntrans93.74.617400000115.2A245 C246 W500A245-G248 PolarHBondContact O-N 3.25Å; C246-G248 VanDerWaalsContact C-N 3.32Å; G248-W500 WeakPolarHBondContact O-CB 3.1Å
249G87.4Confident85.9Confident11 Ų1136.1 Ų36.111%0.11319%0.193CC..  trans-66.7176.2172.400000113.3I244 L251I244-G249 PolarHBondContact O-N 3.15Å; G249-L251 PolarHBondContact O-N 3.4Å
250P79.3Confident86Confident31 Ų3136.4 Ų36.420%0.20120%0.198CC..  trans-62.7133.4-175.429.1-38.4000111.7E128E128-P250 HydrophobicContact CG-CG 4.14Å
251L68.2Low86.2Confident139 Ų13934.8 Ų34.873%0.72819%0.193SC*.  trans-74.9131.8172.7-146.295.5000109.1A245 G249A245-L251 HydrophobicContact CB-CD1 4.33Å; G249-L251 PolarHBondContact O-N 3.4Å
252H66.2Low86.6Confident89 Ų8934.1 Ų34.141%0.41219%0.19SC..  trans-124.7121.2173-152.337.9000111.4R241 G254R241-H252 PolarHBondContact NH1-CD2 3.34Å; R241-H252 VanDerWaalsContact NH1-CD2 3.28Å; H252-G254 PolarHBondContact O-N 3.44Å
253N67.3Low86.7Confident100 Ų10033.5 Ų33.554%0.53519%0.188SC..  trans-75.7116.9174.6-62.2-21.3000108.1E16E16-N253 PolarHBondContact OE2-ND2 3Å
254G76.3Confident86.9Confident5 Ų535.8 Ų35.85%0.05220%0.2CC..  trans-154.9-6.4176.900000114.2H252 D256 Q257 L258H252-G254 PolarHBondContact O-N 3.44Å; G254-D256 VanDerWaalsContact C-N 3.29Å; G254-D256 PolarHBondContact O-N 3.46Å; G254-Q257 PolarHBondContact O-N 3.28Å; G254-L258 PolarHBondContact O-N 2.79Å; G254-L258 VanDerWaalsContact O-N 3.11Å
255L87.9Confident87.2Confident12 Ų1235.8 Ų35.86%0.06320%0.2CC..Hα-helixtrans-70.4-28.5-175.7-153.860.5000112.3W238 L258 Q259 V317 E319 L347W238-L255 HydrophobicContact CD2-CD1 3.79Å; W238-L255 VanDerWaalsContact CE2-CD1 3.48Å; W238-L255 HydrophobicContact CE3-CD1 4.1Å; W238-L255 HydrophobicContact CG-CD1 4.46Å; W238-L255 HydrophobicContact CH2-CD1 3.84Å; W238-L255 HydrophobicContact CH2-CD2 4.16Å; W238-L255 HydrophobicContact CZ2-CB 4.45Å; W238-L255 HydrophobicContact CZ2-CD1 3.52Å; W238-L255 HydrophobicContact CZ2-CD2 3.79Å; W238-L255 HydrophobicContact CZ2-CG 4.13Å; W238-L255 HydrophobicContact CZ3-CD1 4.12Å; L255-L258 HydrophobicContact CD1-CD1 4.37Å; L255-Q259 VanDerWaalsContact O-CB 3.26Å; L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.65Å; L255-V317 HydrophobicContact CD1-CG2 4.5Å; L255-E319 HydrophobicContact CD2-CB 4.06Å; L255-E319 HydrophobicContact CD2-CG 3.69Å; L255-L347 HydrophobicContact CD1-CD1 4.45Å; L255-L347 HydrophobicContact CD1-CD2 3.48Å; L255-L347 VanDerWaalsContact CD1-CD2 3.48Å; L255-L347 HydrophobicContact CD2-CD2 4.36Å; L255-L347 HydrophobicContact CG-CD2 3.64Å
256D88.4Confident87.5Confident67 Ų6734.6 Ų34.636%0.35819%0.19SC..Hα-helixtrans-70.5-39.5176.1-69.3-11.6000112.1G254 Q259 N260 R345G254-D256 VanDerWaalsContact C-N 3.29Å; G254-D256 PolarHBondContact O-N 3.46Å; D256-Q259 PolarHBondContact O-N 3.06Å; D256-N260 VanDerWaalsContact O-CG 3.23Å; D256-N260 PolarHBondContact O-N 3.1Å; D256-N260 PolarHBondContact O-ND2 3.07Å; D256-R345 IonicContact OD1-CZ 2.78Å; D256-R345 IonicContact OD1-NH1 2.77Å; D256-R345 PolarHBondContact OD1-NH1 3.04Å; D256-R345 VanDerWaalsContact OD1-NH1 3.16Å; D256-R345 IonicContact OD1-NH2 3.37Å; D256-R345 PolarHBondContact OD1-NH2 3.27Å
257Q88.4Confident87.7Confident72 Ų7237 Ų3734%0.33620%0.2SC..Hα-helixtrans-63.8-47.1174-68173.7-10.900110.6E144 G254 Q259 N260 C261E144-Q257 WeakPolarHBondContact OE1-CB 3.37Å; E144-Q257 WeakPolarHBondContact OE1-CG 3.33Å; G254-Q257 PolarHBondContact O-N 3.28Å; Q257-Q259 VanDerWaalsContact C-N 3.34Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q257-N260 PolarHBondContact O-N 2.93Å; Q257-C261 PolarHBondContact O-N 3.07Å; Q257-C261 PolarHBondContact O-SG 3.3Å
258L92.1Very high87.9Confident12 Ų1237.1 Ų37.16%0.06320%0.201CC..Hα-helixtrans-59.3-45.1173-71.8174.4000111.2L231 E234 L235 W238 G254 L255 N260 C261 F262 L347L231-L258 HydrophobicContact CD1-CD2 4.27Å; E234-L258 HydrophobicContact CB-CD2 4.04Å; L235-L258 HydrophobicContact CD1-CD1 4.23Å; W238-L258 HydrophobicContact CB-CD1 3.78Å; W238-L258 HydrophobicContact CG-CD1 3.94Å; G254-L258 PolarHBondContact O-N 2.79Å; G254-L258 VanDerWaalsContact O-N 3.11Å; L255-L258 HydrophobicContact CD1-CD1 4.37Å; L258-N260 VanDerWaalsContact C-N 3.29Å; L258-N260 PolarHBondContact O-N 3.36Å; L258-C261 PolarHBondContact O-N 3.39Å; L258-F262 HydrophobicContact CB-CD2 4.48Å; L258-F262 HydrophobicContact CD2-CE2 4.4Å; L258-F262 WeakPolarHBondContact O-CB 3.44Å; L258-F262 VanDerWaalsContact O-CD2 3.24Å; L258-F262 WeakPolarHBondContact O-CD2 3.49Å; L258-F262 PolarHBondContact O-N 3.46Å; L258-L347 HydrophobicContact CB-CD1 4.33Å
259Q93.4Very high88.3Confident2 Ų236.3 Ų36.31%0.00919%0.192CC..Hα-helixtrans-56.6-45.2177.2-175.5-177.1-87.100111.2L255 D256 Q257 T263 L347 K349 G393L255-Q259 VanDerWaalsContact O-CB 3.26Å; L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.65Å; D256-Q259 PolarHBondContact O-N 3.06Å; Q257-Q259 VanDerWaalsContact C-N 3.34Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q259-T263 WeakPolarHBondContact O-CB 3.42Å; Q259-T263 PolarHBondContact O-N 3.16Å; Q259-T263 PolarHBondContact O-OG1 3.36Å; Q259-L347 CarbonylContact C-O 3.59Å; Q259-L347 VanDerWaalsContact CA-O 3.31Å; Q259-L347 WeakPolarHBondContact CA-O 2.99Å; Q259-L347 HydrophobicContact CB-CD2 4.47Å; Q259-L347 WeakPolarHBondContact CG-O 3.33Å; Q259-K349 HydrophobicContact CG-CB 4.29Å; Q259-G393 PolarHBondContact NE2-O 3.32Å; Q259-G393 VanDerWaalsContact NE2-O 3.1Å
260N92.6Very high88.7Confident74 Ų7436.9 Ų36.940%0.39619%0.191SC..Hα-helixtrans-62-48.4177.6-68.7-16.7000111.1D256 Q257 L258 F262 T263 L264D256-N260 VanDerWaalsContact O-CG 3.23Å; D256-N260 PolarHBondContact O-N 3.1Å; D256-N260 PolarHBondContact O-ND2 3.07Å; Q257-N260 PolarHBondContact O-N 2.93Å; L258-N260 VanDerWaalsContact C-N 3.29Å; L258-N260 PolarHBondContact O-N 3.36Å; N260-F262 PolarHBondContact O-N 3.2Å; N260-T263 PolarHBondContact O-N 2.91Å; N260-L264 WeakPolarHBondContact O-CB 3.42Å; N260-L264 VanDerWaalsContact O-CG 3.23Å; N260-L264 WeakPolarHBondContact O-CG 3.45Å; N260-L264 PolarHBondContact O-N 3.37Å
261C94.9Very high89.5Confident6 Ų637.5 Ų37.54%0.04119%0.191CC..Hα-helixtrans-58.7-49.1177.5-71.70000112.7V147 L231 Q257 L258 L265V147-C261 HydrophobicContact CG2-CB 4.11Å; L231-C261 HydrophobicContact CD1-CB 3.92Å; Q257-C261 PolarHBondContact O-N 3.07Å; Q257-C261 PolarHBondContact O-SG 3.3Å; L258-C261 PolarHBondContact O-N 3.39Å; C261-L265 WeakPolarHBondContact O-CB 3.3Å; C261-L265 PolarHBondContact O-N 3.3Å
262F96Very high90.8Very high1 Ų130.9 Ų30.90%0.00416%0.157CC..Hα-helixtrans-63.2-42.3178.6-88.5-101.6000111.9L231 L235 L258 N260 A266 L311 N314 L347 I348L231-F262 HydrophobicContact CD1-CD2 3.78Å; L231-F262 HydrophobicContact CD1-CE2 3.54Å; L231-F262 HydrophobicContact CD1-CZ 4.4Å; L231-F262 HydrophobicContact CD2-CD1 4.44Å; L231-F262 HydrophobicContact CD2-CD2 3.94Å; L231-F262 HydrophobicContact CD2-CE1 4.27Å; L231-F262 HydrophobicContact CD2-CE2 3.77Å; L231-F262 HydrophobicContact CD2-CG 4.28Å; L231-F262 HydrophobicContact CD2-CZ 3.94Å; L231-F262 HydrophobicContact CG-CD2 4.04Å; L231-F262 HydrophobicContact CG-CE2 3.5Å; L231-F262 HydrophobicContact CG-CZ 3.86Å; L235-F262 HydrophobicContact CD2-CZ 4.05Å; L258-F262 HydrophobicContact CB-CD2 4.48Å; L258-F262 HydrophobicContact CD2-CE2 4.4Å; L258-F262 WeakPolarHBondContact O-CB 3.44Å; L258-F262 VanDerWaalsContact O-CD2 3.24Å; L258-F262 WeakPolarHBondContact O-CD2 3.49Å; L258-F262 PolarHBondContact O-N 3.46Å; N260-F262 PolarHBondContact O-N 3.2Å; F262-A266 VanDerWaalsContact O-CB 3.32Å; F262-A266 WeakPolarHBondContact O-CB 3.48Å; F262-A266 PolarHBondContact O-N 2.85Å; F262-L311 HydrophobicContact CD1-CD1 3.48Å; F262-L311 VanDerWaalsContact CD1-CD1 3.48Å; F262-L311 HydrophobicContact CD1-CG 4.03Å; F262-L311 HydrophobicContact CE1-CD1 3.68Å; F262-L311 HydrophobicContact CE1-CG 4.46Å; F262-L311 HydrophobicContact CG-CD1 4.25Å; F262-N314 HydrophobicContact CE1-CB 4.19Å; F262-N314 HydrophobicContact CZ-CB 4.47Å; F262-L347 HydrophobicContact CB-CB 3.93Å; F262-L347 HydrophobicContact CD1-CB 4.32Å; F262-L347 HydrophobicContact CD2-CB 4.3Å; F262-L347 HydrophobicContact CD2-CD1 4.05Å; F262-L347 HydrophobicContact CE2-CD1 4.01Å; F262-L347 HydrophobicContact CG-CB 3.93Å; F262-L347 HydrophobicContact CG-CD1 4.38Å; F262-L347 HydrophobicContact CZ-CD1 4.34Å; F262-I348 HydrophobicContact CB-CG1 4.18Å; F262-I348 HydrophobicContact CD1-CG1 4.48Å
263T95.5Very high92.2Very high13 Ų1328.3 Ų28.38%0.0814%0.143CC..Hα-helixtrans-66.1-49.7180-58.30000111.1Q259 N260 L265 A266 E267 L347 K349Q259-T263 WeakPolarHBondContact O-CB 3.42Å; Q259-T263 PolarHBondContact O-N 3.16Å; Q259-T263 PolarHBondContact O-OG1 3.36Å; N260-T263 PolarHBondContact O-N 2.91Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.47Å; T263-A266 PolarHBondContact O-N 3.14Å; T263-E267 WeakPolarHBondContact O-CG 3.47Å; T263-E267 PolarHBondContact O-N 3.32Å; T263-L347 PolarHBondContact OG1-O 3.26Å; T263-L347 VanDerWaalsContact OG1-O 3.1Å; T263-K349 HydrophobicContact CG2-CB 4.38Å; T263-K349 WeakPolarHBondContact CG2-O 3.34Å; T263-K349 PolarHBondContact OG1-N 3.41Å
264L95.8Very high93.5Very high53 Ų5331.9 Ų31.928%0.27715%0.15SC..Hα-helixtrans-61.8-38.2179.2-68.1179.4000112.2V147 K151 N260 S268V147-L264 HydrophobicContact CG1-CB 3.57Å; V147-L264 HydrophobicContact CG1-CD1 4.13Å; K151-L264 HydrophobicContact CD-CB 4.42Å; K151-L264 HydrophobicContact CD-CD2 3.66Å; K151-L264 HydrophobicContact CD-CG 4.48Å; N260-L264 WeakPolarHBondContact O-CB 3.42Å; N260-L264 VanDerWaalsContact O-CG 3.23Å; N260-L264 WeakPolarHBondContact O-CG 3.45Å; N260-L264 PolarHBondContact O-N 3.37Å; L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 3.48Å; L264-S268 PolarHBondContact O-OG 2.92Å
265L96.6Very high94.4Very high0 Ų032 Ų320%015%0.149CC..Hα-helixtrans-70.1-39177.5-162.563.7000111.8I150 T223 L231 C261 T263 S268 L269 L311I150-L265 HydrophobicContact CD1-CD1 4.36Å; I150-L265 HydrophobicContact CG2-CD1 4.22Å; T223-L265 HydrophobicContact CG2-CD1 3.72Å; T223-L265 HydrophobicContact CG2-CD2 4.26Å; T223-L265 HydrophobicContact CG2-CG 4.12Å; L231-L265 HydrophobicContact CD2-CD2 3.97Å; C261-L265 WeakPolarHBondContact O-CB 3.3Å; C261-L265 PolarHBondContact O-N 3.3Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.47Å; L265-S268 PolarHBondContact O-N 2.85Å; L265-L269 WeakPolarHBondContact O-CG 3.43Å; L265-L269 PolarHBondContact O-N 2.95Å; L265-L311 HydrophobicContact CB-CD2 4.1Å; L265-L311 HydrophobicContact CD2-CD1 4.05Å; L265-L311 HydrophobicContact CD2-CD2 4.39Å; L265-L311 HydrophobicContact CG-CD2 4.27Å
266A96.4Very high94.8Very high0 Ų031.4 Ų31.40%015%0.146CC..Hα-helixtrans-63.1-46.5174.900000111.6F262 T263 S268 L269 F270 L311 I348F262-A266 VanDerWaalsContact O-CB 3.32Å; F262-A266 WeakPolarHBondContact O-CB 3.48Å; F262-A266 PolarHBondContact O-N 2.85Å; T263-A266 PolarHBondContact O-N 3.14Å; A266-S268 VanDerWaalsContact C-N 3.32Å; A266-S268 PolarHBondContact O-N 3.2Å; A266-L269 PolarHBondContact O-N 3.47Å; A266-F270 WeakPolarHBondContact O-CD2 3.39Å; A266-F270 PolarHBondContact O-N 3.18Å; A266-L311 HydrophobicContact CB-CD2 3.78Å; A266-I348 HydrophobicContact CB-CD1 4.08Å; A266-I348 HydrophobicContact CB-CG1 4.12Å; A266-I348 HydrophobicContact CB-CG2 3.81Å
267E96Very high95Very high70 Ų7032.1 Ų32.133%0.32715%0.147SC..Hα-helixtrans-54.9-48.3173.3-73175.3172.900111.1K151 T263 L269 F270 Q271 L350K151-E267 IonicContact NZ-OE2 2.75Å; K151-E267 PolarHBondContact NZ-OE2 2.91Å; T263-E267 WeakPolarHBondContact O-CG 3.47Å; T263-E267 PolarHBondContact O-N 3.32Å; E267-L269 PolarHBondContact O-N 3.03Å; E267-F270 PolarHBondContact O-N 3.45Å; E267-Q271 VanDerWaalsContact O-CB 3.29Å; E267-Q271 WeakPolarHBondContact O-CB 3.31Å; E267-Q271 PolarHBondContact O-N 3.25Å; E267-L350 HydrophobicContact CG-CD2 4.14Å
268S97.4Very high95.2Very high3 Ų331.7 Ų31.72%0.02114%0.144CC..Hα-helixtrans-61-42.5-179.5-58.60000111.9L264 L265 A266 Q271 L272L264-S268 WeakPolarHBondContact O-CB 3.48Å; L264-S268 PolarHBondContact O-N 3.48Å; L264-S268 PolarHBondContact O-OG 2.92Å; L265-S268 PolarHBondContact O-N 2.85Å; A266-S268 VanDerWaalsContact C-N 3.32Å; A266-S268 PolarHBondContact O-N 3.2Å; S268-Q271 PolarHBondContact O-N 3.42Å; S268-L272 WeakPolarHBondContact O-CB 3.38Å; S268-L272 PolarHBondContact O-N 3.47Å
269L97.2Very high95.3Very high2 Ų231.1 Ų31.11%0.0114%0.141CC..Hα-helixtrans-68-41.7177.6-74.1169.9000112.7T223 L265 A266 E267 L272 R273 V304 L307 I308 L311T223-L269 HydrophobicContact CG2-CD1 4.38Å; T223-L269 HydrophobicContact CG2-CD2 3.86Å; T223-L269 HydrophobicContact CG2-CG 4.26Å; L265-L269 WeakPolarHBondContact O-CG 3.43Å; L265-L269 PolarHBondContact O-N 2.95Å; A266-L269 PolarHBondContact O-N 3.47Å; E267-L269 PolarHBondContact O-N 3.03Å; L269-L272 PolarHBondContact O-N 3.42Å; L269-R273 WeakPolarHBondContact O-CB 3.32Å; L269-R273 PolarHBondContact O-N 3.48Å; L269-V304 HydrophobicContact CD2-CG1 4.32Å; L269-V304 WeakPolarHBondContact O-CG1 2.97Å; L269-L307 HydrophobicContact CD1-CB 3.98Å; L269-L307 HydrophobicContact CD2-CB 3.96Å; L269-L307 HydrophobicContact CD2-CD1 4.01Å; L269-I308 HydrophobicContact CB-CD1 4.23Å; L269-I308 HydrophobicContact CB-CG1 3.68Å; L269-I308 HydrophobicContact CD1-CG1 4.14Å; L269-I308 HydrophobicContact CG-CG1 4.45Å; L269-L311 HydrophobicContact CD1-CD2 4.03Å
270F96.1Very high95.2Very high23 Ų2335.2 Ų35.210%0.10116%0.16CC..Hα-helixtrans-66.7-38.9175.4-79.6-61.7000112.1A266 E267 R273 R274 I308 F312 L350 L437 Y438 L440A266-F270 WeakPolarHBondContact O-CD2 3.39Å; A266-F270 PolarHBondContact O-N 3.18Å; E267-F270 PolarHBondContact O-N 3.45Å; F270-R273 WeakPolarHBondContact O-CB 3.36Å; F270-R273 PolarHBondContact O-N 2.88Å; F270-R274 PolarHBondContact O-N 3.18Å; F270-I308 HydrophobicContact CD1-CD1 3.96Å; F270-I308 HydrophobicContact CE1-CD1 3.97Å; F270-I308 HydrophobicContact CE1-CG2 4.13Å; F270-I308 HydrophobicContact CE2-CG2 4.43Å; F270-I308 HydrophobicContact CZ-CG2 3.79Å; F270-F312 AromaticContact CE2-CE2 3.59Å; F270-F312 HydrophobicContact CE2-CE2 3.59Å; F270-F312 AromaticContact CE2-CZ 3.87Å; F270-F312 HydrophobicContact CE2-CZ 3.87Å; F270-F312 AromaticContact CZ-CE2 3.73Å; F270-F312 HydrophobicContact CZ-CE2 3.73Å; F270-F312 HydrophobicContact CZ-CZ 4.11Å; F270-L350 HydrophobicContact CD2-CD1 4.46Å; F270-L350 HydrophobicContact CE2-CD1 4.09Å; F270-L437 HydrophobicContact CE2-CD2 3.92Å; F270-L437 HydrophobicContact CZ-CD2 3.74Å; F270-Y438 AromaticContact CD1-CD2 3.7Å; F270-Y438 HydrophobicContact CD1-CD2 3.7Å; F270-Y438 HydrophobicContact CD1-CE2 4.41Å; F270-Y438 AromaticContact CE1-CD2 3.74Å; F270-Y438 HydrophobicContact CE1-CD2 3.74Å; F270-Y438 HydrophobicContact CG-CD2 4.18Å; F270-Y438 HydrophobicContact CG-CE2 4.45Å; F270-Y438 HydrophobicContact CZ-CD2 4.23Å; F270-L440 HydrophobicContact CE1-CD1 4.19Å
271Q96.1Very high95.2Very high44 Ų4436.4 Ų36.421%0.20616%0.163CC..Hα-helixtrans-63.5-43.3175.3-169.4-177.4-6.800110.8V154 E158 E267 S268 R274 Q275V154-Q271 HydrophobicContact CG1-CB 3.92Å; V154-Q271 HydrophobicContact CG1-CG 3.9Å; E158-Q271 PolarHBondContact OE2-NE2 3Å; E267-Q271 VanDerWaalsContact O-CB 3.29Å; E267-Q271 WeakPolarHBondContact O-CB 3.31Å; E267-Q271 PolarHBondContact O-N 3.25Å; S268-Q271 PolarHBondContact O-N 3.42Å; Q271-R274 PolarHBondContact O-N 3.4Å; Q271-Q275 WeakPolarHBondContact O-CG 3.28Å; Q271-Q275 PolarHBondContact O-N 3.43Å
272L96.6Very high94.9Very high1 Ų136.2 Ų36.21%0.00516%0.162CC..Hα-helixtrans-63.7-41.1175.5-173.263.1000112.3M216 I219 I220 S268 L269 R274 Q275 L276 V304M216-L272 HydrophobicContact CB-CD1 3.99Å; M216-L272 HydrophobicContact CG-CD1 3.63Å; M216-L272 HydrophobicContact SD-CD1 4.05Å; I219-L272 HydrophobicContact CG2-CD2 4.25Å; I220-L272 HydrophobicContact CD1-CD2 4.09Å; I220-L272 HydrophobicContact CG1-CD2 3.49Å; I220-L272 VanDerWaalsContact CG1-CD2 3.49Å; S268-L272 WeakPolarHBondContact O-CB 3.38Å; S268-L272 PolarHBondContact O-N 3.47Å; L269-L272 PolarHBondContact O-N 3.42Å; L272-R274 VanDerWaalsContact C-N 3.33Å; L272-R274 PolarHBondContact O-N 3.26Å; L272-Q275 WeakPolarHBondContact O-CB 3.4Å; L272-Q275 PolarHBondContact O-N 3.29Å; L272-L276 WeakPolarHBondContact O-CG 3.21Å; L272-L276 PolarHBondContact O-N 2.87Å; L272-V304 HydrophobicContact CD2-CG2 3.84Å; L272-V304 HydrophobicContact CG-CG2 4.29Å
273R95.8Very high94.7Very high34 Ų3436.6 Ų36.613%0.12817%0.165CC..Hα-helixtrans-56.8-46.8172.9-175.9-172.1174.6115.9-7.5111.4L269 F270 Q275 L276 E277 L301 V304 T305L269-R273 WeakPolarHBondContact O-CB 3.32Å; L269-R273 PolarHBondContact O-N 3.48Å; F270-R273 WeakPolarHBondContact O-CB 3.36Å; F270-R273 PolarHBondContact O-N 2.88Å; R273-Q275 VanDerWaalsContact C-N 3.34Å; R273-Q275 PolarHBondContact O-N 3.05Å; R273-L276 WeakPolarHBondContact O-CB 3.39Å; R273-L276 PolarHBondContact O-N 3.37Å; R273-E277 IonicContact NE-OE1 3.22Å; R273-E277 PolarHBondContact NE-OE1 3.23Å; R273-E277 VanDerWaalsContact NE-OE1 3.14Å; R273-E277 WeakPolarHBondContact O-CG 3.48Å; R273-E277 PolarHBondContact O-N 3.33Å; R273-L301 HydrophobicContact CG-CD1 3.72Å; R273-V304 HydrophobicContact CB-CG1 3.99Å; R273-T305 PolarHBondContact NH1-OG1 3.47Å
274R94.8Very high94.5Very high176 Ų17641.5 Ų41.566%0.66420%0.195SC*.Hα-helixtrans-63.5-38.5177.9-172.6-178.4178.6-169.4-0.3112.3F270 Q271 L272 L276 E277 K278F270-R274 PolarHBondContact O-N 3.18Å; Q271-R274 PolarHBondContact O-N 3.4Å; L272-R274 VanDerWaalsContact C-N 3.33Å; L272-R274 PolarHBondContact O-N 3.26Å; R274-L276 VanDerWaalsContact C-N 3.34Å; R274-E277 PolarHBondContact O-N 2.77Å; R274-K278 WeakPolarHBondContact O-CB 3.25Å; R274-K278 PolarHBondContact O-N 3.1Å
275Q94.9Very high94.1Very high7 Ų744.2 Ų44.23%0.03320%0.204CC..Hα-helixtrans-61.1-42.3173.8-69.4172.744.400111.2V154 T157 E158 M216 Q271 L272 R273 K278 L279V154-Q275 PolarHBondContact O-NE2 3.5Å; T157-Q275 PolarHBondContact O-OE1 2.89Å; T157-Q275 PolarHBondContact OG1-OE1 2.78Å; E158-Q275 HydrophobicContact CB-CG 4.4Å; E158-Q275 HydrophobicContact CG-CG 4.49Å; M216-Q275 HydrophobicContact CE-CB 3.82Å; Q271-Q275 WeakPolarHBondContact O-CG 3.28Å; Q271-Q275 PolarHBondContact O-N 3.43Å; L272-Q275 WeakPolarHBondContact O-CB 3.4Å; L272-Q275 PolarHBondContact O-N 3.29Å; R273-Q275 VanDerWaalsContact C-N 3.34Å; R273-Q275 PolarHBondContact O-N 3.05Å; Q275-K278 PolarHBondContact O-N 2.96Å; Q275-L279 WeakPolarHBondContact O-CG 3.26Å; Q275-L279 PolarHBondContact O-N 3.41Å
276L95Very high93.7Very high0 Ų045.7 Ų45.70%021%0.211CC..Hα-helixtrans-66-36.1176-68.6171.2000113.3M216 L272 R273 R274 L279 E280 R297 M300 V304M216-L276 HydrophobicContact SD-CD2 3.89Å; M216-L276 HydrophobicContact SD-CG 4.45Å; L272-L276 WeakPolarHBondContact O-CG 3.21Å; L272-L276 PolarHBondContact O-N 2.87Å; R273-L276 WeakPolarHBondContact O-CB 3.39Å; R273-L276 PolarHBondContact O-N 3.37Å; R274-L276 VanDerWaalsContact C-N 3.34Å; L276-L279 HydrophobicContact CD2-CD1 4.5Å; L276-E280 PolarHBondContact O-N 3.27Å; L276-R297 HydrophobicContact CB-CG 4.34Å; L276-R297 HydrophobicContact CD2-CG 4.32Å; L276-M300 HydrophobicContact CD1-CB 3.93Å; L276-M300 HydrophobicContact CD2-CB 4.17Å; L276-M300 HydrophobicContact CD2-CE 4.1Å; L276-M300 HydrophobicContact CD2-SD 4.22Å; L276-V304 HydrophobicContact CD1-CG2 4.22Å
277E93.2Very high93.5Very high81 Ų8149.8 Ų49.838%0.37924%0.237SC..Hα-helixtrans-65.4-39.2172.2-70.5167.6-175.200111.2R273 R274 E280 E281R273-E277 IonicContact NE-OE1 3.22Å; R273-E277 PolarHBondContact NE-OE1 3.23Å; R273-E277 VanDerWaalsContact NE-OE1 3.14Å; R273-E277 WeakPolarHBondContact O-CG 3.48Å; R273-E277 PolarHBondContact O-N 3.33Å; R274-E277 PolarHBondContact O-N 2.77Å; E277-E280 WeakPolarHBondContact O-CB 3.15Å; E277-E280 PolarHBondContact O-N 3.09Å; E277-E281 PolarHBondContact O-N 2.76Å; E277-E281 VanDerWaalsContact O-N 3.1Å
278K93.3Very high93.2Very high63 Ų6349 Ų4927%0.27423%0.231SC..Hα-helixtrans-67.7-39.1176.5-167.9170.4-178.1179.70113.1T161 E165 R274 Q275 E280 E281 Q282T161-K278 HydrophobicContact CG2-CB 4.47Å; T161-K278 HydrophobicContact CG2-CD 4.26Å; T161-K278 HydrophobicContact CG2-CG 4.43Å; E165-K278 WeakPolarHBondContact OE1-CE 3.4Å; E165-K278 IonicContact OE1-NZ 2.6Å; E165-K278 WeakPolarHBondContact OE2-CE 3.46Å; E165-K278 IonicContact OE2-NZ 2.7Å; E165-K278 PolarHBondContact OE2-NZ 3.07Å; R274-K278 WeakPolarHBondContact O-CB 3.25Å; R274-K278 PolarHBondContact O-N 3.1Å; Q275-K278 PolarHBondContact O-N 2.96Å; K278-E280 VanDerWaalsContact C-N 3.28Å; K278-E280 PolarHBondContact O-N 3.41Å; K278-E281 WeakPolarHBondContact O-CB 3.34Å; K278-E281 PolarHBondContact O-N 3.47Å; K278-Q282 WeakPolarHBondContact O-CG 3.48Å; K278-Q282 PolarHBondContact O-N 3.27Å
279L93.3Very high92.8Very high1 Ų158.3 Ų58.31%0.00527%0.274CS..Hα-helixtrans-62.4-35.1172.9-73.2175.4000111.9T161 L213 M216 Q275 L276 Q282 S283 I293T161-L279 HydrophobicContact CG2-CD2 4.1Å; T161-L279 HydrophobicContact CG2-CG 4.21Å; L213-L279 HydrophobicContact CD2-CD1 4.03Å; M216-L279 HydrophobicContact CE-CD1 3.72Å; M216-L279 HydrophobicContact SD-CD1 3.83Å; Q275-L279 WeakPolarHBondContact O-CG 3.26Å; Q275-L279 PolarHBondContact O-N 3.41Å; L276-L279 HydrophobicContact CD2-CD1 4.5Å; L279-Q282 PolarHBondContact O-N 3.04Å; L279-S283 WeakPolarHBondContact O-CB 3Å; L279-S283 PolarHBondContact O-N 3.26Å; L279-I293 HydrophobicContact CB-CD1 4.33Å; L279-I293 HydrophobicContact CB-CG2 4.22Å; L279-I293 HydrophobicContact CD2-CD1 4.24Å
280E92.3Very high92.3Very high87 Ų8761.4 Ų61.441%0.40731%0.307SS..Hα-helixtrans-65.3-44.1172.9173-179.8-129.500111.7L276 E277 K278 Q282 S283 T284 R297L276-E280 PolarHBondContact O-N 3.27Å; E277-E280 WeakPolarHBondContact O-CB 3.15Å; E277-E280 PolarHBondContact O-N 3.09Å; K278-E280 VanDerWaalsContact C-N 3.28Å; K278-E280 PolarHBondContact O-N 3.41Å; E280-Q282 VanDerWaalsContact C-N 3.27Å; E280-Q282 PolarHBondContact O-N 2.87Å; E280-S283 PolarHBondContact O-N 3.44Å; E280-T284 WeakPolarHBondContact O-CB 3.42Å; E280-T284 PolarHBondContact O-N 2.83Å; E280-T284 PolarHBondContact O-OG1 3.28Å; E280-R297 VanDerWaalsContact CD-CZ 3.41Å; E280-R297 IonicContact OE1-CZ 2.77Å; E280-R297 IonicContact OE1-NH1 3.93Å; E280-R297 PolarHBondContact OE1-NH1 2.96Å; E280-R297 IonicContact OE1-NH2 3.63Å; E280-R297 IonicContact OE2-CZ 2.93Å; E280-R297 IonicContact OE2-NH1 2.64Å; E280-R297 PolarHBondContact OE2-NH1 3.48Å; E280-R297 IonicContact OE2-NH2 3.05Å; E280-R297 PolarHBondContact OE2-NH2 2.97Å
281E92.4Very high92.1Very high99 Ų9960.7 Ų60.746%0.46330%0.304SS..Hα-helixtrans-57.7-43.9175.3-168.2-165.6147.300110.9E277 K278 T284 K285E277-E281 PolarHBondContact O-N 2.76Å; E277-E281 VanDerWaalsContact O-N 3.1Å; K278-E281 WeakPolarHBondContact O-CB 3.34Å; K278-E281 PolarHBondContact O-N 3.47Å; E281-T284 WeakPolarHBondContact O-CB 3.3Å; E281-T284 PolarHBondContact O-N 2.92Å; E281-K285 WeakPolarHBondContact O-CG 3.43Å; E281-K285 PolarHBondContact O-N 3.39Å; E281-K285 WeakPolarHBondContact OE1-CE 3.34Å; E281-K285 IonicContact OE1-NZ 3Å; E281-K285 PolarHBondContact OE1-NZ 3.4Å
282Q89.4Confident91.8Very high2 Ų259 Ų591%0.00930%0.297CS..Hα-helixtrans-63.9-44.4176.3-72.7173.3-5.600112.6T161 E165 Q168 K278 L279 E280 T284 K285 M286T161-Q282 PolarHBondContact O-NE2 3.45Å; E165-Q282 VanDerWaalsContact CA-NE2 3.28Å; Q168-Q282 PolarHBondContact NE2-O 2.9Å; K278-Q282 WeakPolarHBondContact O-CG 3.48Å; K278-Q282 PolarHBondContact O-N 3.27Å; L279-Q282 PolarHBondContact O-N 3.04Å; E280-Q282 VanDerWaalsContact C-N 3.27Å; E280-Q282 PolarHBondContact O-N 2.87Å; Q282-T284 VanDerWaalsContact C-N 3.27Å; Q282-T284 PolarHBondContact O-N 2.63Å; Q282-K285 PolarHBondContact O-N 3.38Å; Q282-M286 PolarHBondContact O-N 2.89Å
283S90.5Very high91.6Very high10 Ų1059.1 Ų59.17%0.0730%0.297CS..Hα-helixtrans-64.5-34.1176.3-174.10000111.6L279 E280 M286 T287 D291 P294L279-S283 WeakPolarHBondContact O-CB 3Å; L279-S283 PolarHBondContact O-N 3.26Å; E280-S283 PolarHBondContact O-N 3.44Å; S283-M286 WeakPolarHBondContact CA-O 3.43Å; S283-M286 CarbonylContact O-C 3.54Å; S283-M286 PolarHBondContact O-N 2.94Å; S283-M286 VanDerWaalsContact O-O 3.13Å; S283-T287 WeakPolarHBondContact O-CB 3.19Å; S283-T287 PolarHBondContact O-N 3.15Å; S283-D291 PolarHBondContact OG-OD2 3.34Å; S283-P294 WeakPolarHBondContact OG-CG 3.47Å
284T90.8Very high91.4Very high116 Ų11660.8 Ų60.871%0.71231%0.312SS*.Hα-helixtrans-65.9-38.4174.8-53.20000112E280 E281 Q282E280-T284 WeakPolarHBondContact O-CB 3.42Å; E280-T284 PolarHBondContact O-N 2.83Å; E280-T284 PolarHBondContact O-OG1 3.28Å; E281-T284 WeakPolarHBondContact O-CB 3.3Å; E281-T284 PolarHBondContact O-N 2.92Å; Q282-T284 VanDerWaalsContact C-N 3.27Å; Q282-T284 PolarHBondContact O-N 2.63Å
285K88.9Confident91Very high110 Ų11058 Ų5848%0.47832%0.315SS..Hα-helixtrans-67.8-38174.4-70.3172.6-172.6168.30111.9E281 Q282E281-K285 WeakPolarHBondContact O-CG 3.43Å; E281-K285 PolarHBondContact O-N 3.39Å; E281-K285 WeakPolarHBondContact OE1-CE 3.34Å; E281-K285 IonicContact OE1-NZ 3Å; E281-K285 PolarHBondContact OE1-NZ 3.4Å; Q282-K285 PolarHBondContact O-N 3.38Å
286M87.8Confident90.8Very high30 Ų3061.5 Ų61.515%0.14833%0.331CS..SBendtrans-153.2119.2-176.5-177.6-168.5174.200111.4Q168 F171 L202 L205 R209 Q282 S283Q168-M286 HydrophobicContact CG-CB 4.42Å; Q168-M286 HydrophobicContact CG-SD 3.99Å; F171-M286 HydrophobicContact CD1-CE 3.51Å; F171-M286 HydrophobicContact CD1-SD 3.51Å; F171-M286 VanDerWaalsContact CD1-SD 3.51Å; F171-M286 HydrophobicContact CE1-CE 3.19Å; F171-M286 HydrophobicContact CE1-SD 3.68Å; F171-M286 HydrophobicContact CE2-CE 4.3Å; F171-M286 HydrophobicContact CG-CE 4.22Å; F171-M286 HydrophobicContact CG-SD 4.39Å; F171-M286 HydrophobicContact CZ-CE 3.62Å; L202-M286 HydrophobicContact CD1-CE 3.13Å; L205-M286 HydrophobicContact CD1-CE 4.16Å; L205-M286 HydrophobicContact CD1-SD 4.13Å; R209-M286 PolarHBondContact NH1-O 3.39Å; R209-M286 PolarHBondContact NH2-O 2.9Å; Q282-M286 PolarHBondContact O-N 2.89Å; S283-M286 WeakPolarHBondContact CA-O 3.43Å; S283-M286 CarbonylContact O-C 3.54Å; S283-M286 PolarHBondContact O-N 2.94Å; S283-M286 VanDerWaalsContact O-O 3.13Å
287T91.2Very high90.7Very high86 Ų8662.8 Ų62.853%0.52834%0.336SS..  trans-135.8168.3174.8-164.10000111S283 D291S283-T287 WeakPolarHBondContact O-CB 3.19Å; S283-T287 PolarHBondContact O-N 3.15Å; T287-D291 WeakPolarHBondContact OG1-CB 3.43Å; T287-D291 PolarHBondContact OG1-OD2 2.71Å
288Y89.6Confident90.5Very high53 Ų5362.4 Ų62.421%0.20834%0.34CS..  trans-154164.6-177.149.6-92.9000110.4L202 D206 G290 D291L202-Y288 HydrophobicContact CD1-CD1 4.14Å; L202-Y288 HydrophobicContact CD1-CE1 4.44Å; D206-Y288 VanDerWaalsContact CA-OH 3.24Å; D206-Y288 WeakPolarHBondContact CA-OH 3.24Å; D206-Y288 HydrophobicContact CB-CE2 4.3Å; D206-Y288 VanDerWaalsContact CB-OH 3.26Å; D206-Y288 WeakPolarHBondContact CB-OH 3.35Å; D206-Y288 WeakPolarHBondContact OD1-CE2 3.28Å; D206-Y288 PolarHBondContact OD1-OH 2.82Å; Y288-G290 PolarHBondContact O-N 3.07Å; Y288-D291 HydrophobicContact CD1-CB 4.43Å; Y288-D291 HydrophobicContact CD2-CB 4.05Å; Y288-D291 HydrophobicContact CE1-CB 4.29Å; Y288-D291 HydrophobicContact CE2-CB 3.92Å; Y288-D291 HydrophobicContact CG-CB 4.31Å; Y288-D291 VanDerWaalsContact O-CB 3.31Å; Y288-D291 WeakPolarHBondContact O-CB 3.37Å; Y288-D291 PolarHBondContact O-N 3.1Å; Y288-D291 VanDerWaalsContact O-N 3.08Å
289E89.2Confident90.5Very high200 Ų20065.5 Ų65.594%0.93535%0.354SS*.THydrogen-bonded Turntrans-61.5124.9174.8-75.2-147.8157.300110.9
290G87.2Confident90.5Very high67 Ų6765.7 Ų65.769%0.69136%0.356SS*.THydrogen-bonded Turntrans84.210-176.400000115.1Y288 P292Y288-G290 PolarHBondContact O-N 3.07Å; G290-P292 WeakPolarHBondContact O-CD 3.36Å
291D91.4Very high90.6Very high7 Ų763 Ų634%0.03734%0.344CS..  trans-54.3121.4170.2-1786.1000110.1R209 S283 T287 Y288 I293 P294R209-D291 IonicContact NH1-OD1 2.71Å; R209-D291 PolarHBondContact NH1-OD1 2.79Å; R209-D291 VanDerWaalsContact NH1-OD1 3.1Å; R209-D291 IonicContact NH1-OD2 2.85Å; R209-D291 PolarHBondContact NH1-OD2 3.22Å; S283-D291 PolarHBondContact OG-OD2 3.34Å; T287-D291 WeakPolarHBondContact OG1-CB 3.43Å; T287-D291 PolarHBondContact OG1-OD2 2.71Å; Y288-D291 HydrophobicContact CD1-CB 4.43Å; Y288-D291 HydrophobicContact CD2-CB 4.05Å; Y288-D291 HydrophobicContact CE1-CB 4.29Å; Y288-D291 HydrophobicContact CE2-CB 3.92Å; Y288-D291 HydrophobicContact CG-CB 4.31Å; Y288-D291 VanDerWaalsContact O-CB 3.31Å; Y288-D291 WeakPolarHBondContact O-CB 3.37Å; Y288-D291 PolarHBondContact O-N 3.1Å; Y288-D291 VanDerWaalsContact O-N 3.08Å; D291-I293 VanDerWaalsContact C-N 3.29Å; D291-I293 PolarHBondContact O-N 2.74Å; D291-I293 PolarHBondContact OD1-N 2.7Å; D291-P294 WeakPolarHBondContact O-CD 3.32Å
292P90.9Very high90.7Very high10 Ų1064.4 Ų64.47%0.06535%0.35CS..Hα-helixtrans-72.8-20.4-176.531.4-39.5000113.2R209 K210 L213 G290 Q296R209-P292 HydrophobicContact CB-CG 4.15Å; K210-P292 HydrophobicContact CG-CB 4.34Å; K210-P292 HydrophobicContact CG-CG 3.83Å; L213-P292 HydrophobicContact CD1-CB 3.67Å; L213-P292 HydrophobicContact CD1-CG 3.77Å; G290-P292 WeakPolarHBondContact O-CD 3.36Å; P292-Q296 WeakPolarHBondContact O-CB 3.1Å; P292-Q296 PolarHBondContact O-N 3.38Å
293I92.5Very high91Very high2 Ų268.3 Ų68.31%0.0137%0.365CS..Hα-helixtrans-63.5-55.1-173-62.6172.9000111.7R209 L213 L279 D291 V295 Q296 R297R209-I293 HydrophobicContact CB-CD1 4.43Å; R209-I293 HydrophobicContact CB-CG1 4.48Å; R209-I293 HydrophobicContact CG-CD1 3.85Å; R209-I293 HydrophobicContact CG-CG1 4.42Å; L213-I293 HydrophobicContact CD1-CG1 4.03Å; L279-I293 HydrophobicContact CB-CD1 4.33Å; L279-I293 HydrophobicContact CB-CG2 4.22Å; L279-I293 HydrophobicContact CD2-CD1 4.24Å; D291-I293 VanDerWaalsContact C-N 3.29Å; D291-I293 PolarHBondContact O-N 2.74Å; D291-I293 PolarHBondContact OD1-N 2.7Å; I293-V295 PolarHBondContact O-N 3.1Å; I293-V295 VanDerWaalsContact O-N 3.15Å; I293-Q296 PolarHBondContact O-N 3.42Å; I293-R297 HydrophobicContact CG2-CB 4.3Å; I293-R297 WeakPolarHBondContact O-CB 3.32Å; I293-R297 PolarHBondContact O-N 3.38Å
294P90.4Very high91.3Very high69 Ų6967.9 Ų67.945%0.44836%0.362SS..Hα-helixtrans-60.2-30.2-176.4-2535.8000113.8S283 D291S283-P294 WeakPolarHBondContact OG-CG 3.47Å; D291-P294 WeakPolarHBondContact O-CD 3.32Å
295V86.9Confident91.6Very high117 Ų11764.2 Ų64.271%0.70934%0.34SS*.Hα-helixtrans-81.5-47.9-176.9-175.90000111.7I293I293-V295 PolarHBondContact O-N 3.1Å; I293-V295 VanDerWaalsContact O-N 3.15Å
296Q91.4Very high91.9Very high81 Ų8164.1 Ų64.138%0.37934%0.339SS..Hα-helixtrans-85.8-32.2-172-62.8-176.523.200113P292 I293 T298 H299 M300P292-Q296 WeakPolarHBondContact O-CB 3.1Å; P292-Q296 PolarHBondContact O-N 3.38Å; I293-Q296 PolarHBondContact O-N 3.42Å; Q296-T298 VanDerWaalsContact C-N 3.35Å; Q296-T298 PolarHBondContact O-N 3.02Å; Q296-H299 PolarHBondContact O-N 2.71Å; Q296-M300 HydrophobicContact CB-SD 4.36Å; Q296-M300 WeakPolarHBondContact O-CG 3.33Å; Q296-M300 PolarHBondContact O-N 2.88Å
297R91.2Very high92.3Very high27 Ų2762.7 Ų62.710%0.10233%0.332CS..Hα-helixtrans-61.1-39.7-171.3179.4-94.7-179.8157.15.3113.1L276 E280 I293 H299 M300 L301L276-R297 HydrophobicContact CB-CG 4.34Å; L276-R297 HydrophobicContact CD2-CG 4.32Å; E280-R297 VanDerWaalsContact CD-CZ 3.41Å; E280-R297 IonicContact OE1-CZ 2.77Å; E280-R297 IonicContact OE1-NH1 3.93Å; E280-R297 PolarHBondContact OE1-NH1 2.96Å; E280-R297 IonicContact OE1-NH2 3.63Å; E280-R297 IonicContact OE2-CZ 2.93Å; E280-R297 IonicContact OE2-NH1 2.64Å; E280-R297 PolarHBondContact OE2-NH1 3.48Å; E280-R297 IonicContact OE2-NH2 3.05Å; E280-R297 PolarHBondContact OE2-NH2 2.97Å; I293-R297 HydrophobicContact CG2-CB 4.3Å; I293-R297 WeakPolarHBondContact O-CB 3.32Å; I293-R297 PolarHBondContact O-N 3.38Å; R297-H299 PolarHBondContact O-N 2.88Å; R297-M300 PolarHBondContact O-N 3.03Å; R297-L301 WeakPolarHBondContact O-CB 3.19Å; R297-L301 PolarHBondContact O-N 3.24Å
298T90.2Very high92.6Very high74 Ų7458.7 Ų58.745%0.45431%0.307SS..Hα-helixtrans-58.7-50.4-178.4-530000111.3Q296 M300 L301 E302Q296-T298 VanDerWaalsContact C-N 3.35Å; Q296-T298 PolarHBondContact O-N 3.02Å; T298-M300 VanDerWaalsContact C-N 3.35Å; T298-M300 PolarHBondContact O-N 3.26Å; T298-L301 PolarHBondContact O-N 3.26Å; T298-E302 WeakPolarHBondContact O-CG 3.45Å; T298-E302 PolarHBondContact O-N 3.43Å
299H92.6Very high92.8Very high127 Ų12760.8 Ų60.859%0.58832%0.316SS*.Hα-helixtrans-62.7-40.6177.4173.2-94.9000112.1Q296 R297 R303Q296-H299 PolarHBondContact O-N 2.71Å; R297-H299 PolarHBondContact O-N 2.88Å; H299-R303 WeakPolarHBondContact O-CB 3.46Å; H299-R303 PolarHBondContact O-N 2.9Å
300M94.7Very high93.1Very high6 Ų652.8 Ų52.83%0.0328%0.279CS..Hα-helixtrans-64.9-42.3177.6-65.2173.877.700112L213 M216 T217 I220 L276 Q296 R297 T298 R303 V304L213-M300 HydrophobicContact CD2-SD 3.89Å; M216-M300 HydrophobicContact CB-CE 3.38Å; T217-M300 WeakPolarHBondContact OG1-CE 3.43Å; I220-M300 HydrophobicContact CD1-CB 3.89Å; I220-M300 HydrophobicContact CD1-CE 3.76Å; I220-M300 HydrophobicContact CD1-CG 4.15Å; L276-M300 HydrophobicContact CD1-CB 3.93Å; L276-M300 HydrophobicContact CD2-CB 4.17Å; L276-M300 HydrophobicContact CD2-CE 4.1Å; L276-M300 HydrophobicContact CD2-SD 4.22Å; Q296-M300 HydrophobicContact CB-SD 4.36Å; Q296-M300 WeakPolarHBondContact O-CG 3.33Å; Q296-M300 PolarHBondContact O-N 2.88Å; R297-M300 PolarHBondContact O-N 3.03Å; T298-M300 VanDerWaalsContact C-N 3.35Å; T298-M300 PolarHBondContact O-N 3.26Å; M300-R303 PolarHBondContact O-N 3.45Å; M300-V304 WeakPolarHBondContact O-CB 3.32Å; M300-V304 VanDerWaalsContact O-CG2 3.31Å; M300-V304 WeakPolarHBondContact O-CG2 3.48Å; M300-V304 PolarHBondContact O-N 3.45Å
301L94.4Very high93.5Very high31 Ų3149.7 Ų49.716%0.16225%0.247CC..Hα-helixtrans-65.5-42.4179.1-17764.7000111.8R273 R297 T298 R303 V304 T305R273-L301 HydrophobicContact CG-CD1 3.72Å; R297-L301 WeakPolarHBondContact O-CB 3.19Å; R297-L301 PolarHBondContact O-N 3.24Å; T298-L301 PolarHBondContact O-N 3.26Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-V304 PolarHBondContact O-N 3.04Å; L301-T305 VanDerWaalsContact O-CB 3.29Å; L301-T305 WeakPolarHBondContact O-CB 3.36Å; L301-T305 PolarHBondContact O-N 3.03Å; L301-T305 PolarHBondContact O-OG1 3.41Å
302E94.3Very high93.7Very high128 Ų12849.4 Ų49.460%0.59825%0.245SC*.Hα-helixtrans-58.7-46.6173.1-74.5176.817700110.9T298 T305 F306T298-E302 WeakPolarHBondContact O-CG 3.45Å; T298-E302 PolarHBondContact O-N 3.43Å; E302-T305 PolarHBondContact O-N 3.39Å; E302-F306 WeakPolarHBondContact O-CB 3.44Å; E302-F306 PolarHBondContact O-N 2.94Å
303R96Very high93.9Very high84 Ų8454.7 Ų54.732%0.31727%0.267SS..Hα-helixtrans-63.7-46.6179.6-164.562.2159.6138.32.1112.3I220 D224 H299 M300 L301 T305 F306 L307I220-R303 HydrophobicContact CG2-CB 4.13Å; I220-R303 HydrophobicContact CG2-CG 3.5Å; I220-R303 VanDerWaalsContact CG2-CG 3.5Å; D224-R303 VanDerWaalsContact CG-NH2 3.31Å; D224-R303 IonicContact OD1-NH1 3.48Å; D224-R303 IonicContact OD1-NH2 3.07Å; D224-R303 IonicContact OD2-CZ 2.76Å; D224-R303 IonicContact OD2-NH1 3.73Å; D224-R303 IonicContact OD2-NH2 3.68Å; D224-R303 PolarHBondContact OD2-NH2 3.28Å; H299-R303 WeakPolarHBondContact O-CB 3.46Å; H299-R303 PolarHBondContact O-N 2.9Å; M300-R303 PolarHBondContact O-N 3.45Å; L301-R303 VanDerWaalsContact C-N 3.33Å; R303-T305 VanDerWaalsContact C-N 3.34Å; R303-T305 PolarHBondContact O-N 3.21Å; R303-F306 WeakPolarHBondContact O-CB 3.44Å; R303-F306 PolarHBondContact O-N 3.29Å; R303-L307 VanDerWaalsContact O-CG 3.29Å; R303-L307 WeakPolarHBondContact O-CG 3.46Å; R303-L307 PolarHBondContact O-N 3.4Å
304V96.8Very high94Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-61.5-43.1176170.90000110.9I220 L269 L272 R273 L276 M300 L301 F306 L307 I308I220-V304 HydrophobicContact CD1-CG2 3.64Å; I220-V304 HydrophobicContact CG1-CG2 3.76Å; L269-V304 HydrophobicContact CD2-CG1 4.32Å; L269-V304 WeakPolarHBondContact O-CG1 2.97Å; L272-V304 HydrophobicContact CD2-CG2 3.84Å; L272-V304 HydrophobicContact CG-CG2 4.29Å; R273-V304 HydrophobicContact CB-CG1 3.99Å; L276-V304 HydrophobicContact CD1-CG2 4.22Å; M300-V304 WeakPolarHBondContact O-CB 3.32Å; M300-V304 VanDerWaalsContact O-CG2 3.31Å; M300-V304 WeakPolarHBondContact O-CG2 3.48Å; M300-V304 PolarHBondContact O-N 3.45Å; L301-V304 PolarHBondContact O-N 3.04Å; V304-F306 VanDerWaalsContact C-N 3.34Å; V304-F306 PolarHBondContact O-N 3.22Å; V304-L307 PolarHBondContact O-N 3.32Å; V304-I308 HydrophobicContact CG1-CD1 3.94Å; V304-I308 HydrophobicContact CG1-CG1 4.48Å; V304-I308 VanDerWaalsContact O-CG1 3.32Å; V304-I308 WeakPolarHBondContact O-CG1 3.49Å; V304-I308 PolarHBondContact O-N 3.22Å
305T95.6Very high94.3Very high40 Ų4052.7 Ų52.725%0.24525%0.253CS..Hα-helixtrans-62.7-41.7178-58.10000111.6R273 L301 E302 R303 I308 Y309 L440R273-T305 PolarHBondContact NH1-OG1 3.47Å; L301-T305 VanDerWaalsContact O-CB 3.29Å; L301-T305 WeakPolarHBondContact O-CB 3.36Å; L301-T305 PolarHBondContact O-N 3.03Å; L301-T305 PolarHBondContact O-OG1 3.41Å; E302-T305 PolarHBondContact O-N 3.39Å; R303-T305 VanDerWaalsContact C-N 3.34Å; R303-T305 PolarHBondContact O-N 3.21Å; T305-I308 PolarHBondContact O-N 3.46Å; T305-Y309 PolarHBondContact O-N 3.21Å; T305-L440 HydrophobicContact CG2-CD2 3.86Å
306F95.6Very high94.8Very high107 Ų10747.2 Ų47.247%0.46922%0.22SC..Hα-helixtrans-61.2-44.9173.8173.4-94.6000112.1E302 R303 V304 I308 Y309 N310E302-F306 WeakPolarHBondContact O-CB 3.44Å; E302-F306 PolarHBondContact O-N 2.94Å; R303-F306 WeakPolarHBondContact O-CB 3.44Å; R303-F306 PolarHBondContact O-N 3.29Å; V304-F306 VanDerWaalsContact C-N 3.34Å; V304-F306 PolarHBondContact O-N 3.22Å; F306-I308 PolarHBondContact O-N 3.29Å; F306-Y309 PolarHBondContact O-N 3.27Å; F306-N310 WeakPolarHBondContact O-CB 3.35Å; F306-N310 PolarHBondContact O-N 3Å
307L96.7Very high95Very high0 Ų043.4 Ų43.40%020%0.202CC..Hα-helixtrans-61.4-43177.5-69173.2000111.7I220 T223 D224 M227 L269 R303 V304 N310 L311I220-L307 HydrophobicContact CG2-CD1 3.98Å; T223-L307 HydrophobicContact CG2-CD1 4.25Å; D224-L307 HydrophobicContact CB-CD1 4.49Å; D224-L307 HydrophobicContact CB-CD2 3.86Å; D224-L307 VanDerWaalsContact OD1-CD2 3.31Å; D224-L307 WeakPolarHBondContact OD1-CD2 3.43Å; M227-L307 HydrophobicContact CE-CD2 3.35Å; M227-L307 HydrophobicContact SD-CD2 4.4Å; L269-L307 HydrophobicContact CD1-CB 3.98Å; L269-L307 HydrophobicContact CD2-CB 3.96Å; L269-L307 HydrophobicContact CD2-CD1 4.01Å; R303-L307 VanDerWaalsContact O-CG 3.29Å; R303-L307 WeakPolarHBondContact O-CG 3.46Å; R303-L307 PolarHBondContact O-N 3.4Å; V304-L307 PolarHBondContact O-N 3.32Å; L307-N310 PolarHBondContact O-N 3.17Å; L307-L311 VanDerWaalsContact O-CB 3.29Å; L307-L311 WeakPolarHBondContact O-CB 3.1Å; L307-L311 PolarHBondContact O-N 2.68Å
308I96.6Very high95.2Very high2 Ų242.4 Ų42.41%0.0120%0.199CC..Hα-helixtrans-58.2-51.3174.1-68.4167000109.7L269 F270 V304 T305 F306 N310 L311 F312 L440 I442L269-I308 HydrophobicContact CB-CD1 4.23Å; L269-I308 HydrophobicContact CB-CG1 3.68Å; L269-I308 HydrophobicContact CD1-CG1 4.14Å; L269-I308 HydrophobicContact CG-CG1 4.45Å; F270-I308 HydrophobicContact CD1-CD1 3.96Å; F270-I308 HydrophobicContact CE1-CD1 3.97Å; F270-I308 HydrophobicContact CE1-CG2 4.13Å; F270-I308 HydrophobicContact CE2-CG2 4.43Å; F270-I308 HydrophobicContact CZ-CG2 3.79Å; V304-I308 HydrophobicContact CG1-CD1 3.94Å; V304-I308 HydrophobicContact CG1-CG1 4.48Å; V304-I308 VanDerWaalsContact O-CG1 3.32Å; V304-I308 WeakPolarHBondContact O-CG1 3.49Å; V304-I308 PolarHBondContact O-N 3.22Å; T305-I308 PolarHBondContact O-N 3.46Å; F306-I308 PolarHBondContact O-N 3.29Å; I308-N310 VanDerWaalsContact C-N 3.33Å; I308-N310 PolarHBondContact O-N 2.96Å; I308-L311 PolarHBondContact O-N 2.93Å; I308-F312 HydrophobicContact CG2-CD2 3.73Å; I308-F312 HydrophobicContact CG2-CE2 3.85Å; I308-F312 WeakPolarHBondContact O-CD2 3.49Å; I308-F312 PolarHBondContact O-N 3.45Å; I308-L440 HydrophobicContact CD1-CD1 4.46Å; I308-L440 HydrophobicContact CG2-CD1 4Å; I308-I442 HydrophobicContact CG2-CD1 4.22Å
309Y95.2Very high95.4Very high97 Ų9741.1 Ų41.138%0.3819%0.188SC..Hα-helixtrans-57.8-46.3-179.4-168.1-88.4000112T305 F306 F312 K313 I442T305-Y309 PolarHBondContact O-N 3.21Å; F306-Y309 PolarHBondContact O-N 3.27Å; Y309-F312 PolarHBondContact O-N 3.3Å; Y309-K313 HydrophobicContact CE1-CD 4.46Å; Y309-K313 WeakPolarHBondContact O-CB 3.38Å; Y309-K313 PolarHBondContact O-N 3.48Å; Y309-I442 HydrophobicContact CD2-CB 4.44Å; Y309-I442 HydrophobicContact CD2-CG1 4.17Å; Y309-I442 HydrophobicContact CD2-CG2 3.91Å; Y309-I442 HydrophobicContact CE2-CB 4.39Å; Y309-I442 HydrophobicContact CE2-CG2 3.85Å
310N94.7Very high95.5Very high32 Ų3241.1 Ų41.117%0.17118%0.182CC..Hα-helixtrans-65.5-40.7179.5-165.730000112.1M227 F306 L307 I308 K313 N314M227-N310 HydrophobicContact CE-CB 4.08Å; M227-N310 WeakPolarHBondContact CE-ND2 2.9Å; M227-N310 HydrophobicContact SD-CB 4.27Å; F306-N310 WeakPolarHBondContact O-CB 3.35Å; F306-N310 PolarHBondContact O-N 3Å; L307-N310 PolarHBondContact O-N 3.17Å; I308-N310 VanDerWaalsContact C-N 3.33Å; I308-N310 PolarHBondContact O-N 2.96Å; N310-K313 PolarHBondContact O-N 2.94Å; N310-N314 PolarHBondContact O-N 3.06Å; N310-N314 VanDerWaalsContact O-N 3.15Å; N310-N314 PolarHBondContact O-ND2 2.9Å; N310-N314 PolarHBondContact OD1-ND2 3.41Å
311L96.3Very high95.5Very high2 Ų241.4 Ų41.41%0.0118%0.184CC..Hα-helixtrans-62.9-47.5177.7-171.767.1000111.3M227 L231 F262 L265 A266 L269 L307 I308 K313 N314 S315 I348M227-L311 HydrophobicContact SD-CB 4.27Å; M227-L311 HydrophobicContact SD-CD1 4.41Å; L231-L311 HydrophobicContact CD2-CD1 3.81Å; F262-L311 HydrophobicContact CD1-CD1 3.48Å; F262-L311 VanDerWaalsContact CD1-CD1 3.48Å; F262-L311 HydrophobicContact CD1-CG 4.03Å; F262-L311 HydrophobicContact CE1-CD1 3.68Å; F262-L311 HydrophobicContact CE1-CG 4.46Å; F262-L311 HydrophobicContact CG-CD1 4.25Å; L265-L311 HydrophobicContact CB-CD2 4.1Å; L265-L311 HydrophobicContact CD2-CD1 4.05Å; L265-L311 HydrophobicContact CD2-CD2 4.39Å; L265-L311 HydrophobicContact CG-CD2 4.27Å; A266-L311 HydrophobicContact CB-CD2 3.78Å; L269-L311 HydrophobicContact CD1-CD2 4.03Å; L307-L311 VanDerWaalsContact O-CB 3.29Å; L307-L311 WeakPolarHBondContact O-CB 3.1Å; L307-L311 PolarHBondContact O-N 2.68Å; I308-L311 PolarHBondContact O-N 2.93Å; L311-K313 PolarHBondContact O-N 3.11Å; L311-N314 PolarHBondContact O-N 3.47Å; L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.28Å; L311-I348 HydrophobicContact CD2-CD1 4.35Å; L311-I348 HydrophobicContact CG-CD1 4.11Å
312F95.8Very high95.7Very high1 Ų139.9 Ų39.90%0.00418%0.176CC..Hα-helixtrans-61.2-45.3177.1-91.1-91000111.9F270 I308 Y309 N314 S315 I348 L350 L353 I435 L437 I442 L444F270-F312 AromaticContact CE2-CE2 3.59Å; F270-F312 HydrophobicContact CE2-CE2 3.59Å; F270-F312 AromaticContact CE2-CZ 3.87Å; F270-F312 HydrophobicContact CE2-CZ 3.87Å; F270-F312 AromaticContact CZ-CE2 3.73Å; F270-F312 HydrophobicContact CZ-CE2 3.73Å; F270-F312 HydrophobicContact CZ-CZ 4.11Å; I308-F312 HydrophobicContact CG2-CD2 3.73Å; I308-F312 HydrophobicContact CG2-CE2 3.85Å; I308-F312 WeakPolarHBondContact O-CD2 3.49Å; I308-F312 PolarHBondContact O-N 3.45Å; Y309-F312 PolarHBondContact O-N 3.3Å; F312-N314 VanDerWaalsContact C-N 3.28Å; F312-N314 PolarHBondContact O-N 3.29Å; F312-S315 PolarHBondContact O-N 2.7Å; F312-S315 PolarHBondContact O-OG 3.39Å; F312-I348 HydrophobicContact CB-CD1 4.3Å; F312-I348 HydrophobicContact CD1-CD1 3.75Å; F312-I348 HydrophobicContact CD2-CD1 3.62Å; F312-I348 HydrophobicContact CE1-CB 4.44Å; F312-I348 HydrophobicContact CE1-CD1 3.89Å; F312-I348 HydrophobicContact CE1-CG2 4.16Å; F312-I348 HydrophobicContact CE2-CD1 3.76Å; F312-I348 HydrophobicContact CG-CD1 3.62Å; F312-I348 HydrophobicContact CZ-CD1 3.91Å; F312-I348 HydrophobicContact CZ-CG2 3.95Å; F312-L350 HydrophobicContact CZ-CD1 4.28Å; F312-L353 HydrophobicContact CE1-CD1 4.19Å; F312-I435 HydrophobicContact CD1-CD1 4.04Å; F312-I435 HydrophobicContact CE1-CD1 4.12Å; F312-L437 HydrophobicContact CZ-CD2 4.31Å; F312-I442 HydrophobicContact CB-CD1 4.12Å; F312-I442 HydrophobicContact CB-CG2 4.06Å; F312-I442 HydrophobicContact CD1-CD1 4.41Å; F312-I442 HydrophobicContact CD2-CD1 3.9Å; F312-I442 HydrophobicContact CE2-CD1 4.43Å; F312-I442 HydrophobicContact CG-CD1 3.88Å; F312-L444 HydrophobicContact CB-CD2 4.17Å
313K94.2Very high95.8Very high121 Ų12134.6 Ų34.653%0.52615%0.153SC..Hα-helixtrans-57.1-40.3178.3-170.4176.7179.9-179.30112.5Y309 N310 L311Y309-K313 HydrophobicContact CE1-CD 4.46Å; Y309-K313 WeakPolarHBondContact O-CB 3.38Å; Y309-K313 PolarHBondContact O-N 3.48Å; N310-K313 PolarHBondContact O-N 2.94Å; L311-K313 PolarHBondContact O-N 3.11Å
314N95.2Very high95.8Very high30 Ų3030.7 Ų30.716%0.1614%0.138CC..Hα-helixtrans-80.9-18.7178.5-71.7-72.1000113.4L235 F262 N310 L311 F312L235-N314 HydrophobicContact CD2-CB 4.01Å; L235-N314 WeakPolarHBondContact CD2-O 3.48Å; F262-N314 HydrophobicContact CE1-CB 4.19Å; F262-N314 HydrophobicContact CZ-CB 4.47Å; N310-N314 PolarHBondContact O-N 3.06Å; N310-N314 VanDerWaalsContact O-N 3.15Å; N310-N314 PolarHBondContact O-ND2 2.9Å; N310-N314 PolarHBondContact OD1-ND2 3.41Å; L311-N314 PolarHBondContact O-N 3.47Å; F312-N314 VanDerWaalsContact C-N 3.28Å; F312-N314 PolarHBondContact O-N 3.29Å
315S96Very high95.5Very high0 Ų034.5 Ų34.50%016%0.163CC..Hα-helixtrans-77.2-16.6-178.375.60000114.7L311 F312 V317 L346 L347L311-S315 WeakPolarHBondContact O-CB 3.42Å; L311-S315 PolarHBondContact O-N 3.28Å; F312-S315 PolarHBondContact O-N 2.7Å; F312-S315 PolarHBondContact O-OG 3.39Å; S315-V317 PolarHBondContact O-N 2.76Å; S315-L346 WeakPolarHBondContact OG-CD1 3.45Å; S315-L347 WeakPolarHBondContact O-CG 3.39Å; S315-L347 PolarHBondContact O-N 2.98Å
316F97.1Very high95.3Very high2 Ų237 Ų371%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-90.8106.4-176.9-174-133000111.4L344 L346 V359 M385 F431 T433 L444 T446F316-L344 HydrophobicContact CE2-CB 4.08Å; F316-L344 HydrophobicContact CE2-CD1 4.2Å; F316-L344 HydrophobicContact CE2-CD2 4.38Å; F316-L344 HydrophobicContact CE2-CG 4.48Å; F316-L344 HydrophobicContact CZ-CD1 3.94Å; F316-L344 HydrophobicContact CZ-CD2 4.31Å; F316-L346 HydrophobicContact CB-CD1 4.02Å; F316-L346 HydrophobicContact CD2-CD1 4.34Å; F316-V359 HydrophobicContact CE2-CG2 4.26Å; F316-V359 HydrophobicContact CZ-CG1 3.93Å; F316-V359 HydrophobicContact CZ-CG2 4.1Å; F316-M385 HydrophobicContact CD2-CE 4Å; F316-M385 HydrophobicContact CE2-CE 3.67Å; F316-M385 HydrophobicContact CE2-SD 4.43Å; F316-F431 HydrophobicContact CE1-CB 4.17Å; F316-F431 HydrophobicContact CZ-CB 4.12Å; F316-T433 HydrophobicContact CE1-CG2 4.18Å; F316-T433 HydrophobicContact CZ-CG2 4.16Å; F316-L444 HydrophobicContact CB-CB 4.35Å; F316-L444 HydrophobicContact CB-CD1 4.21Å; F316-L444 HydrophobicContact CD1-CB 3.88Å; F316-L444 HydrophobicContact CG-CB 4.31Å; F316-T446 HydrophobicContact CD1-CG2 3.51Å; F316-T446 HydrophobicContact CE1-CG2 3.48Å; F316-T446 VanDerWaalsContact CE1-CG2 3.48Å; F316-T446 HydrophobicContact CG-CG2 4.1Å; F316-T446 HydrophobicContact CZ-CG2 4.03Å; F316-T446 VanDerWaalsContact O-CB 3.31Å; F316-T446 WeakPolarHBondContact O-CB 3.33Å; F316-T446 PolarHBondContact O-OG1 2.94Å
317V96Very high95Very high1 Ų134.8 Ų34.81%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-131154.2-170.5-61.70000113L235 W238 L255 S315 E319 L344 R345 L347L235-V317 HydrophobicContact CD1-CG1 4.17Å; W238-V317 HydrophobicContact CZ3-CB 4.36Å; W238-V317 HydrophobicContact CZ3-CG2 4.38Å; L255-V317 HydrophobicContact CD1-CG2 4.5Å; S315-V317 PolarHBondContact O-N 2.76Å; V317-E319 PolarHBondContact O-N 3.34Å; V317-L344 WeakPolarHBondContact O-CA 3.47Å; V317-R345 HydrophobicContact CG2-CB 4.49Å; V317-R345 PolarHBondContact N-O 3.19Å; V317-R345 PolarHBondContact O-N 3.19Å; V317-L347 HydrophobicContact CG2-CD1 4.48Å; V317-L347 HydrophobicContact CG2-CD2 4.17Å; V317-L347 HydrophobicContact CG2-CG 4.17Å
318V95.9Very high94.6Very high6 Ų639.1 Ų39.14%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-79.4110.2166.2-175.20000107.8Q242 R320 Q321 V342 L344 F431 T446Q242-V318 PolarHBondContact NE2-O 3.13Å; Q242-V318 PolarHBondContact OE1-O 2.68Å; V318-R320 WeakPolarHBondContact CG1-O 3.27Å; V318-Q321 HydrophobicContact CG1-CG 4.48Å; V318-V342 HydrophobicContact CG1-CG2 3.93Å; V318-L344 HydrophobicContact CB-CD2 4.27Å; V318-L344 HydrophobicContact CG2-CD2 3.65Å; V318-F431 HydrophobicContact CG2-CD2 4.24Å; V318-F431 HydrophobicContact CG2-CE2 4.08Å; V318-T446 HydrophobicContact CG2-CG2 4.25Å
319E93.9Very high94.2Very high46 Ų4642.4 Ų42.422%0.21521%0.212CC..EExtended strand (participates in β ladder)trans-79.8-42.1178.1175.6175.2-138.100111.4Q242 L255 V317 K343 R345Q242-E319 VanDerWaalsContact NE2-C 3.34Å; Q242-E319 PolarHBondContact NE2-O 2.9Å; L255-E319 HydrophobicContact CD2-CB 4.06Å; L255-E319 HydrophobicContact CD2-CG 3.69Å; V317-E319 PolarHBondContact O-N 3.34Å; E319-K343 PolarHBondContact N-O 3.35Å; E319-K343 WeakPolarHBondContact OE2-CD 3.34Å; E319-K343 WeakPolarHBondContact OE2-CE 3.49Å; E319-K343 IonicContact OE2-NZ 3.2Å; E319-K343 PolarHBondContact OE2-NZ 3.14Å; E319-R345 HydrophobicContact CB-CB 3.97Å; E319-R345 WeakPolarHBondContact OE1-CD 3.49Å; E319-R345 IonicContact OE1-CZ 2.7Å; E319-R345 IonicContact OE1-NH1 2.92Å; E319-R345 PolarHBondContact OE1-NH1 2.73Å
320R93.9Very high94.1Very high127 Ų12738.3 Ų38.348%0.47920%0.196SC..EExtended strand (participates in β ladder)trans-124.3114.6174.7-171.1-176.8-66.7158-2.6109.2V318 V342 K343 E398V318-R320 WeakPolarHBondContact CG1-O 3.27Å; R320-V342 VanDerWaalsContact O-CG2 3.3Å; R320-V342 WeakPolarHBondContact O-CG2 3.28Å; R320-K343 HydrophobicContact CB-CB 3.71Å; R320-K343 PolarHBondContact N-O 3.4Å; R320-K343 PolarHBondContact O-N 3.29Å; R320-E398 IonicContact NH1-OE1 3.34Å; R320-E398 PolarHBondContact NH1-OE1 3.41Å
321Q95.9Very high94.1Very high12 Ų1237.6 Ų37.66%0.05619%0.194CC..EExtended strand (participates in β ladder)trans-61.6155.5179.9-67.9-65.4-18.300112.2V318 C323 L332 L449V318-Q321 HydrophobicContact CG1-CG 4.48Å; Q321-C323 PolarHBondContact O-N 3.19Å; Q321-L332 HydrophobicContact CB-CD2 3.85Å; Q321-L332 HydrophobicContact CG-CD2 4.35Å; Q321-L449 HydrophobicContact CG-CD1 4.19Å
322P97.3Very high94.2Very high0 Ų037.5 Ų37.50%019%0.193CC..EExtended strand (participates in β ladder)trans-51.7123.5179.1-27.234.3000112.7L332 L334 F340 T341 V342 I429 V451P322-L332 PolarHBondContact O-N 3.2Å; P322-L334 HydrophobicContact CB-CD1 4.15Å; P322-L334 HydrophobicContact CB-CD2 4.23Å; P322-F340 HydrophobicContact CB-CD2 4Å; P322-F340 HydrophobicContact CB-CE2 4.15Å; P322-T341 WeakPolarHBondContact CA-O 3.33Å; P322-V342 HydrophobicContact CG-CB 4.37Å; P322-V342 HydrophobicContact CG-CG2 4.11Å; P322-I429 HydrophobicContact CB-CD1 4.22Å; P322-I429 HydrophobicContact CG-CD1 3.91Å; P322-V451 HydrophobicContact CB-CG1 4.18Å; P322-V451 HydrophobicContact CG-CG1 4.12Å
323C96.7Very high94.3Very high16 Ų1637.5 Ų37.511%0.10819%0.193CC..EExtended strand (participates in β ladder)trans-147.6140.5-178.3-171.70000111.3Q321 P331 F340 T341Q321-C323 PolarHBondContact O-N 3.19Å; C323-P331 HydrophobicContact CB-CB 4.23Å; C323-F340 WeakPolarHBondContact O-CA 3.18Å; C323-F340 WeakPolarHBondContact O-CB 3.37Å; C323-T341 PolarHBondContact N-O 3.09Å; C323-T341 PolarHBondContact O-N 3.45Å; C323-T341 PolarHBondContact O-OG1 3.02Å
324M95.4Very high94.4Very high3 Ų331.8 Ų31.82%0.01517%0.168CC..  trans-82.1126174.4-65.1-172.3-71.900110T326 H327 V333 L334 K335 I338 F340 L460M324-T326 PolarHBondContact O-N 3.4Å; M324-T326 VanDerWaalsContact O-N 3.09Å; M324-H327 HydrophobicContact CE-CB 4.34Å; M324-H327 CarbonylContact O-C 3.54Å; M324-H327 PolarHBondContact O-N 2.88Å; M324-V333 WeakPolarHBondContact CE-O 3.48Å; M324-L334 HydrophobicContact CG-CD2 4.15Å; M324-K335 HydrophobicContact CE-CB 4.14Å; M324-K335 HydrophobicContact SD-CB 3.66Å; M324-K335 PolarHBondContact SD-N 3.5Å; M324-I338 HydrophobicContact CG-CG2 4.3Å; M324-I338 HydrophobicContact SD-CB 4.11Å; M324-I338 HydrophobicContact SD-CG2 3.74Å; M324-F340 HydrophobicContact CG-CB 4.31Å; M324-L460 HydrophobicContact CE-CD1 4.4Å
325P91.8Very high94.4Very high79 Ų7933 Ų3351%0.51317%0.172SC..THydrogen-bonded Turntrans-57.6-25.4175.7-27.736000114.2H327 Q339 T341P325-H327 VanDerWaalsContact C-N 3.3Å; P325-Q339 WeakPolarHBondContact CD-O 3.33Å; P325-T341 HydrophobicContact CG-CG2 3.72Å
326T90.7Very high94.3Very high93 Ų9333.9 Ų33.957%0.57118%0.177SC*.THydrogen-bonded Turntrans-74.2-19.1175.758.10000113.4M324M324-T326 PolarHBondContact O-N 3.4Å; M324-T326 VanDerWaalsContact O-N 3.09Å
327H90.1Very high94Very high60 Ų6039.1 Ų39.128%0.27821%0.205SC..  trans-138.363.6-178.9-61.8-67.3000111.1M324 P325 Q329 R330M324-H327 HydrophobicContact CE-CB 4.34Å; M324-H327 CarbonylContact O-C 3.54Å; M324-H327 PolarHBondContact O-N 2.88Å; P325-H327 VanDerWaalsContact C-N 3.3Å; H327-Q329 PolarHBondContact O-N 3.26Å; H327-R330 PolarHBondContact O-N 2.67Å; H327-R330 VanDerWaalsContact O-N 3.12Å
328P88.4Confident93.9Very high91 Ų9141.6 Ų41.659%0.59122%0.218SC*.THydrogen-bonded Turntrans-63.7-20.2-173.326.4-35.1000113.8R330P328-R330 VanDerWaalsContact C-N 3.29Å; P328-R330 PolarHBondContact O-N 3.42Å
329Q87.6Confident93.9Very high71 Ų7145.5 Ų45.533%0.33224%0.236SC..THydrogen-bonded Turntrans-81.5-2.7-178.9-67-75.8-10.600113.9H327 S504 Y505H327-Q329 PolarHBondContact O-N 3.26Å; Q329-S504 PolarHBondContact NE2-O 3.16Å; Q329-S504 PolarHBondContact OE1-O 2.83Å; Q329-Y505 HydrophobicContact CB-CD2 3.73Å; Q329-Y505 HydrophobicContact CB-CE2 3.96Å; Q329-Y505 HydrophobicContact CG-CD2 3.78Å; Q329-Y505 HydrophobicContact CG-CE2 4.09Å
330R93.6Very high94Very high12 Ų1243.4 Ų43.45%0.04523%0.226CC..SBendtrans-13664.9-173.6-58.2-67.2179.9-109.55.9110H327 P328 L460 W464H327-R330 PolarHBondContact O-N 2.67Å; H327-R330 VanDerWaalsContact O-N 3.12Å; P328-R330 VanDerWaalsContact C-N 3.29Å; P328-R330 PolarHBondContact O-N 3.42Å; R330-L460 HydrophobicContact CB-CD1 4.37Å; R330-L460 HydrophobicContact CG-CD2 4.37Å; R330-W464 HydrophobicContact CB-CE3 4.31Å; R330-W464 VanDerWaalsContact CD-CD1 3.45Å
331P95.2Very high94.2Very high17 Ų1738.4 Ų38.411%0.1121%0.209CC..THydrogen-bonded Turntrans-61.6163.4175.829.8-36.1000110.9C246 C323 V333 W464C246-P331 HydrophobicContact CB-CG 4.14Å; C246-P331 WeakPolarHBondContact O-CG 3.45Å; C323-P331 HydrophobicContact CB-CB 4.23Å; P331-V333 PolarHBondContact O-N 3.07Å; P331-W464 HydrophobicContact CG-CH2 4.2Å; P331-W464 HydrophobicContact CG-CZ3 4.23Å; P331-W464 WeakPolarHBondContact O-CZ3 3.48Å
332L97.1Very high94.2Very high0 Ų037.8 Ų37.80%021%0.207CC..THydrogen-bonded Turntrans64.4-4.7179.8-50.5173.1000115.9Q321 P322 L449 V451 V452 I467Q321-L332 HydrophobicContact CB-CD2 3.85Å; Q321-L332 HydrophobicContact CG-CD2 4.35Å; P322-L332 PolarHBondContact O-N 3.2Å; L332-L449 HydrophobicContact CD1-CB 3.83Å; L332-L449 HydrophobicContact CD1-CD1 4.02Å; L332-L449 HydrophobicContact CD2-CB 3.84Å; L332-V451 HydrophobicContact CB-CG1 4.37Å; L332-V451 HydrophobicContact CD2-CG1 3.99Å; L332-V451 CarbonylContact O-C 3.55Å; L332-V451 WeakPolarHBondContact O-CA 3.29Å; L332-V451 VanDerWaalsContact O-CB 3.3Å; L332-V451 WeakPolarHBondContact O-CB 2.72Å; L332-V452 PolarHBondContact O-N 3.45Å; L332-I467 HydrophobicContact CB-CD1 3.69Å; L332-I467 HydrophobicContact CB-CG1 4.1Å; L332-I467 HydrophobicContact CB-CG2 4.05Å; L332-I467 HydrophobicContact CD1-CG2 3.91Å
333V97.4Very high94.1Very high0 Ų038.7 Ų38.70%021%0.21CC..EExtended strand (participates in β ladder)trans-100.5120.9167.4-171.70000108.5M324 P331 I454 L460 A463 W464 I467M324-V333 WeakPolarHBondContact CE-O 3.48Å; P331-V333 PolarHBondContact O-N 3.07Å; V333-I454 HydrophobicContact CG1-CD1 3.88Å; V333-I454 HydrophobicContact CG1-CG1 4.19Å; V333-I454 HydrophobicContact CG1-CG2 3.94Å; V333-L460 HydrophobicContact CB-CD1 4.11Å; V333-L460 HydrophobicContact CG1-CD1 3.72Å; V333-A463 HydrophobicContact CG1-CB 3.61Å; V333-A463 HydrophobicContact CG2-CB 4.05Å; V333-W464 HydrophobicContact CG2-CE3 4.17Å; V333-I467 HydrophobicContact CG2-CG1 3.73Å
334L96.7Very high94.1Very high1 Ų137.9 Ų37.91%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-121.1130.6-175.5-59.2-177.8000110.2P322 M324 F340 P404 I429 V451 V452 M453 I454P322-L334 HydrophobicContact CB-CD1 4.15Å; P322-L334 HydrophobicContact CB-CD2 4.23Å; M324-L334 HydrophobicContact CG-CD2 4.15Å; L334-F340 HydrophobicContact CD1-CD1 4.18Å; L334-F340 HydrophobicContact CD1-CD2 4.35Å; L334-F340 HydrophobicContact CD1-CE1 4.2Å; L334-F340 HydrophobicContact CD1-CE2 4.39Å; L334-F340 HydrophobicContact CD1-CG 4.24Å; L334-F340 HydrophobicContact CD1-CZ 4.3Å; L334-F340 HydrophobicContact CD2-CB 3.69Å; L334-F340 HydrophobicContact CD2-CD1 4.3Å; L334-F340 HydrophobicContact CD2-CD2 4.26Å; L334-F340 HydrophobicContact CD2-CG 3.84Å; L334-P404 HydrophobicContact CB-CG 4.35Å; L334-I429 HydrophobicContact CD1-CD1 3.94Å; L334-V451 HydrophobicContact CD1-CB 4.25Å; L334-V451 HydrophobicContact CD1-CG1 4.32Å; L334-V451 HydrophobicContact CD1-CG2 4.17Å; L334-V451 HydrophobicContact CG-CB 4.47Å; L334-V452 PolarHBondContact N-O 3.46Å; L334-M453 HydrophobicContact CB-CE 4.33Å; L334-M453 HydrophobicContact CB-SD 3.69Å; L334-M453 HydrophobicContact CD1-CE 3.89Å; L334-M453 HydrophobicContact CD1-SD 4.35Å; L334-M453 WeakPolarHBondContact O-CA 3.44Å; L334-I454 WeakPolarHBondContact O-CG1 3.33Å; L334-I454 PolarHBondContact O-N 3.11Å
335K95.3Very high94.1Very high55 Ų5538.2 Ų38.224%0.23921%0.206CC..EExtended strand (participates in β ladder)trans-92.5135.5174.9-175.3178.8165.3-1580110.6M324 I338 I454 S455 V457M324-K335 HydrophobicContact CE-CB 4.14Å; M324-K335 HydrophobicContact SD-CB 3.66Å; M324-K335 PolarHBondContact SD-N 3.5Å; K335-I338 HydrophobicContact CB-CB 4.18Å; K335-I338 HydrophobicContact CB-CG1 3.91Å; K335-I338 HydrophobicContact CD-CG1 3.79Å; K335-I338 HydrophobicContact CG-CG1 3.9Å; K335-I338 PolarHBondContact O-N 3.14Å; K335-I454 CarbonylContact C-O 3.37Å; K335-I454 VanDerWaalsContact CA-O 3.32Å; K335-I454 WeakPolarHBondContact CA-O 3.42Å; K335-I454 HydrophobicContact CB-CD1 4.21Å; K335-I454 HydrophobicContact CB-CG1 3.81Å; K335-I454 HydrophobicContact CG-CG1 4.19Å; K335-S455 WeakPolarHBondContact CE-O 3.38Å; K335-V457 HydrophobicContact CD-CG2 4.11Å
336T93.4Very high94.3Very high19 Ų1934.4 Ų34.412%0.11718%0.182CC..THydrogen-bonded Turntrans-54.9140.1174.355.70000111.4I338 F375 P404 I454T336-I338 PolarHBondContact O-N 3.26Å; T336-I338 VanDerWaalsContact O-N 3.09Å; T336-F375 HydrophobicContact CG2-CD1 4.33Å; T336-F375 HydrophobicContact CG2-CE1 3.7Å; T336-P404 WeakPolarHBondContact CA-O 3.39Å; T336-I454 PolarHBondContact N-O 3.48Å
337L91.6Very high94.6Very high112 Ų11230 Ų3059%0.58615%0.154SC*.THydrogen-bonded Turntrans651.4-178.9-48.3174.6000115.7P404 K405L337-P404 PolarHBondContact N-O 3.29Å; L337-K405 HydrophobicContact CD2-CB 4.39Å; L337-K405 HydrophobicContact CD2-CG 4.11Å
338I94.6Very high94.8Very high53 Ų5327.1 Ų27.127%0.27214%0.141SC..  trans-96.7142.4175.3-59.7-57.5000110.2M324 K335 T336 P404M324-I338 HydrophobicContact CG-CG2 4.3Å; M324-I338 HydrophobicContact SD-CB 4.11Å; M324-I338 HydrophobicContact SD-CG2 3.74Å; K335-I338 HydrophobicContact CB-CB 4.18Å; K335-I338 HydrophobicContact CB-CG1 3.91Å; K335-I338 HydrophobicContact CD-CG1 3.79Å; K335-I338 HydrophobicContact CG-CG1 3.9Å; K335-I338 PolarHBondContact O-N 3.14Å; T336-I338 PolarHBondContact O-N 3.26Å; T336-I338 VanDerWaalsContact O-N 3.09Å; I338-P404 WeakPolarHBondContact O-CD 3.34Å
339Q95.3Very high95Very high89 Ų8925.6 Ų25.642%0.41613%0.125SC..  trans-71.3140.2177.2-62.3-175.610.600110.8P325 H401 L402 Q403P325-Q339 WeakPolarHBondContact CD-O 3.33Å; Q339-H401 PolarHBondContact OE1-ND1 3.26Å; Q339-L402 CarbonylContact C-O 3.48Å; Q339-L402 VanDerWaalsContact CA-O 3.29Å; Q339-L402 WeakPolarHBondContact CA-O 3.41Å; Q339-Q403 HydrophobicContact CB-CG 4.3Å; Q339-Q403 HydrophobicContact CG-CG 3.61Å
340F96.6Very high95.2Very high1 Ų122.7 Ų22.70%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-130.6160.2170.671.6-87.8000111.2P322 C323 M324 L334 V342 L377 R400 L402 P404 I429P322-F340 HydrophobicContact CB-CD2 4Å; P322-F340 HydrophobicContact CB-CE2 4.15Å; C323-F340 WeakPolarHBondContact O-CA 3.18Å; C323-F340 WeakPolarHBondContact O-CB 3.37Å; M324-F340 HydrophobicContact CG-CB 4.31Å; L334-F340 HydrophobicContact CD1-CD1 4.18Å; L334-F340 HydrophobicContact CD1-CD2 4.35Å; L334-F340 HydrophobicContact CD1-CE1 4.2Å; L334-F340 HydrophobicContact CD1-CE2 4.39Å; L334-F340 HydrophobicContact CD1-CG 4.24Å; L334-F340 HydrophobicContact CD1-CZ 4.3Å; L334-F340 HydrophobicContact CD2-CB 3.69Å; L334-F340 HydrophobicContact CD2-CD1 4.3Å; L334-F340 HydrophobicContact CD2-CD2 4.26Å; L334-F340 HydrophobicContact CD2-CG 3.84Å; F340-V342 HydrophobicContact CE2-CG1 4.28Å; F340-L377 HydrophobicContact CE1-CD2 3.94Å; F340-L377 HydrophobicContact CZ-CD2 3.84Å; F340-R400 CarbonylContact O-C 3.57Å; F340-L402 HydrophobicContact CD1-CB 4.04Å; F340-L402 WeakPolarHBondContact CD1-O 3.32Å; F340-L402 HydrophobicContact CD2-CB 4.39Å; F340-L402 HydrophobicContact CE1-CB 3.47Å; F340-L402 VanDerWaalsContact CE1-CB 3.47Å; F340-L402 HydrophobicContact CE2-CB 3.87Å; F340-L402 HydrophobicContact CE2-CD1 3.87Å; F340-L402 HydrophobicContact CG-CB 4.47Å; F340-L402 HydrophobicContact CZ-CB 3.38Å; F340-L402 HydrophobicContact CZ-CD1 3.82Å; F340-L402 HydrophobicContact CZ-CG 4.25Å; F340-L402 PolarHBondContact N-O 3.18Å; F340-P404 HydrophobicContact CE1-CG 4.42Å; F340-I429 HydrophobicContact CE2-CD1 3.76Å; F340-I429 HydrophobicContact CZ-CD1 3.66Å
341T96.6Very high95Very high22 Ų2226.6 Ų26.614%0.13514%0.139CC..EExtended strand (participates in β ladder)trans-111.2142.7178.461.40000110.6P322 C323 P325 F399 R400P322-T341 WeakPolarHBondContact CA-O 3.33Å; C323-T341 PolarHBondContact N-O 3.09Å; C323-T341 PolarHBondContact O-N 3.45Å; C323-T341 PolarHBondContact O-OG1 3.02Å; P325-T341 HydrophobicContact CG-CG2 3.72Å; T341-F399 CarbonylContact C-O 3.6Å; T341-F399 WeakPolarHBondContact CA-O 3.38Å; T341-R400 HydrophobicContact CG2-CB 4.34Å; T341-R400 HydrophobicContact CG2-CG 4.39Å
342V96.9Very high94.8Very high0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans-144.5140168.860.40000108.6V318 R320 P322 F340 F399 L402 F431V318-V342 HydrophobicContact CG1-CG2 3.93Å; R320-V342 VanDerWaalsContact O-CG2 3.3Å; R320-V342 WeakPolarHBondContact O-CG2 3.28Å; P322-V342 HydrophobicContact CG-CB 4.37Å; P322-V342 HydrophobicContact CG-CG2 4.11Å; F340-V342 HydrophobicContact CE2-CG1 4.28Å; V342-F399 HydrophobicContact CG1-CB 3.81Å; V342-F399 HydrophobicContact CG1-CD2 4.13Å; V342-F399 HydrophobicContact CG1-CG 4.31Å; V342-F399 PolarHBondContact N-O 3.28Å; V342-F399 PolarHBondContact O-N 2.93Å; V342-L402 HydrophobicContact CG1-CD1 3.92Å; V342-F431 HydrophobicContact CB-CZ 4.33Å; V342-F431 HydrophobicContact CG1-CE1 3.86Å; V342-F431 HydrophobicContact CG1-CZ 3.75Å; V342-F431 HydrophobicContact CG2-CE1 4.49Å; V342-F431 HydrophobicContact CG2-CE2 4.26Å; V342-F431 HydrophobicContact CG2-CZ 3.7Å
343K95.9Very high94.5Very high18 Ų1829.5 Ų29.58%0.07815%0.151CC..EExtended strand (participates in β ladder)trans-120.8128.2179.1-168.6178.7177.8-168.90110E319 R320 E388 S396 V397 E398E319-K343 PolarHBondContact N-O 3.35Å; E319-K343 WeakPolarHBondContact OE2-CD 3.34Å; E319-K343 WeakPolarHBondContact OE2-CE 3.49Å; E319-K343 IonicContact OE2-NZ 3.2Å; E319-K343 PolarHBondContact OE2-NZ 3.14Å; R320-K343 HydrophobicContact CB-CB 3.71Å; R320-K343 PolarHBondContact N-O 3.4Å; R320-K343 PolarHBondContact O-N 3.29Å; K343-E388 WeakPolarHBondContact CE-OE1 3.46Å; K343-E388 IonicContact NZ-OE1 2.76Å; K343-E388 PolarHBondContact NZ-OE1 3.43Å; K343-E388 IonicContact NZ-OE2 2.77Å; K343-E388 PolarHBondContact NZ-OE2 2.97Å; K343-S396 VanDerWaalsContact CE-OG 3.25Å; K343-S396 WeakPolarHBondContact CE-OG 3.08Å; K343-V397 WeakPolarHBondContact CA-O 3.29Å; K343-E398 HydrophobicContact CB-CB 4.44Å; K343-E398 HydrophobicContact CB-CG 4.3Å; K343-E398 HydrophobicContact CG-CB 4.16Å; K343-E398 HydrophobicContact CG-CG 4.49Å
344L96.4Very high94.2Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-106.9152.3173.2-62.4159.6000109.4F316 V317 V318 V359 S396 V397 F399 F431 T446F316-L344 HydrophobicContact CE2-CB 4.08Å; F316-L344 HydrophobicContact CE2-CD1 4.2Å; F316-L344 HydrophobicContact CE2-CD2 4.38Å; F316-L344 HydrophobicContact CE2-CG 4.48Å; F316-L344 HydrophobicContact CZ-CD1 3.94Å; F316-L344 HydrophobicContact CZ-CD2 4.31Å; V317-L344 WeakPolarHBondContact O-CA 3.47Å; V318-L344 HydrophobicContact CB-CD2 4.27Å; V318-L344 HydrophobicContact CG2-CD2 3.65Å; L344-V359 HydrophobicContact CD1-CG1 3.6Å; L344-S396 CarbonylContact O-C 3.52Å; L344-S396 WeakPolarHBondContact O-CA 3.39Å; L344-S396 WeakPolarHBondContact O-CB 3.34Å; L344-V397 HydrophobicContact CB-CG1 3.79Å; L344-V397 HydrophobicContact CD1-CG1 3.93Å; L344-V397 HydrophobicContact CG-CG1 4.41Å; L344-V397 PolarHBondContact N-O 3.49Å; L344-V397 PolarHBondContact O-N 2.87Å; L344-F399 HydrophobicContact CD1-CD2 4.46Å; L344-F399 HydrophobicContact CD1-CE2 3.83Å; L344-F431 HydrophobicContact CD1-CB 3.71Å; L344-F431 HydrophobicContact CD1-CD1 3.52Å; L344-F431 HydrophobicContact CD1-CD2 4.24Å; L344-F431 HydrophobicContact CD1-CE1 4.16Å; L344-F431 HydrophobicContact CD1-CG 3.55Å; L344-F431 HydrophobicContact CD2-CB 4.14Å; L344-F431 HydrophobicContact CD2-CD1 4.41Å; L344-F431 HydrophobicContact CD2-CD2 3.67Å; L344-F431 HydrophobicContact CD2-CE2 4.14Å; L344-F431 HydrophobicContact CD2-CG 3.81Å; L344-F431 HydrophobicContact CG-CD1 4.37Å; L344-F431 HydrophobicContact CG-CD2 4.45Å; L344-F431 HydrophobicContact CG-CG 4.22Å; L344-T446 HydrophobicContact CD2-CG2 3.75Å
345R95.3Very high93.9Very high9 Ų939.3 Ų39.33%0.03419%0.193CC..EExtended strand (participates in β ladder)trans-137.4140176-173171.4178.3171.7-4.1109.7D256 V317 E319D256-R345 IonicContact OD1-CZ 2.78Å; D256-R345 IonicContact OD1-NH1 2.77Å; D256-R345 PolarHBondContact OD1-NH1 3.04Å; D256-R345 VanDerWaalsContact OD1-NH1 3.16Å; D256-R345 IonicContact OD1-NH2 3.37Å; D256-R345 PolarHBondContact OD1-NH2 3.27Å; V317-R345 HydrophobicContact CG2-CB 4.49Å; V317-R345 PolarHBondContact N-O 3.19Å; V317-R345 PolarHBondContact O-N 3.19Å; E319-R345 HydrophobicContact CB-CB 3.97Å; E319-R345 WeakPolarHBondContact OE1-CD 3.49Å; E319-R345 IonicContact OE1-CZ 2.7Å; E319-R345 IonicContact OE1-NH1 2.92Å; E319-R345 PolarHBondContact OE1-NH1 2.73Å
346L96.4Very high93.7Very high0 Ų042.7 Ų42.70%021%0.209CC..EExtended strand (participates in β ladder)trans-95.9117.4164.8-167.169.6000107.6S315 F316 I348 L353 M385 L395 I435 L444S315-L346 WeakPolarHBondContact OG-CD1 3.45Å; F316-L346 HydrophobicContact CB-CD1 4.02Å; F316-L346 HydrophobicContact CD2-CD1 4.34Å; L346-I348 HydrophobicContact CG-CB 4.37Å; L346-I348 PolarHBondContact O-N 3.02Å; L346-L353 HydrophobicContact CD2-CD1 3.76Å; L346-M385 HydrophobicContact CB-CE 4.21Å; L346-M385 HydrophobicContact CB-SD 4.28Å; L346-L395 HydrophobicContact CB-CD2 4.13Å; L346-L395 HydrophobicContact CB-CG 4.35Å; L346-L395 HydrophobicContact CD2-CD2 3.78Å; L346-L395 PolarHBondContact N-O 3.3Å; L346-I435 HydrophobicContact CD2-CD1 3.87Å; L346-L444 HydrophobicContact CD1-CD1 4.01Å
347L95.6Very high93.7Very high0 Ų041.9 Ų41.90%021%0.205CC..SBendtrans-68.8-14.6179.7-59179.4000112.8L235 L255 L258 Q259 F262 T263 S315 V317L235-L347 HydrophobicContact CD1-CD1 3.82Å; L255-L347 HydrophobicContact CD1-CD1 4.45Å; L255-L347 HydrophobicContact CD1-CD2 3.48Å; L255-L347 VanDerWaalsContact CD1-CD2 3.48Å; L255-L347 HydrophobicContact CD2-CD2 4.36Å; L255-L347 HydrophobicContact CG-CD2 3.64Å; L258-L347 HydrophobicContact CB-CD1 4.33Å; Q259-L347 CarbonylContact C-O 3.59Å; Q259-L347 VanDerWaalsContact CA-O 3.31Å; Q259-L347 WeakPolarHBondContact CA-O 2.99Å; Q259-L347 HydrophobicContact CB-CD2 4.47Å; Q259-L347 WeakPolarHBondContact CG-O 3.33Å; F262-L347 HydrophobicContact CB-CB 3.93Å; F262-L347 HydrophobicContact CD1-CB 4.32Å; F262-L347 HydrophobicContact CD2-CB 4.3Å; F262-L347 HydrophobicContact CD2-CD1 4.05Å; F262-L347 HydrophobicContact CE2-CD1 4.01Å; F262-L347 HydrophobicContact CG-CB 3.93Å; F262-L347 HydrophobicContact CG-CD1 4.38Å; F262-L347 HydrophobicContact CZ-CD1 4.34Å; T263-L347 PolarHBondContact OG1-O 3.26Å; T263-L347 VanDerWaalsContact OG1-O 3.1Å; S315-L347 WeakPolarHBondContact O-CG 3.39Å; S315-L347 PolarHBondContact O-N 2.98Å; V317-L347 HydrophobicContact CG2-CD1 4.48Å; V317-L347 HydrophobicContact CG2-CD2 4.17Å; V317-L347 HydrophobicContact CG2-CG 4.17Å
348I95.1Very high93.9Very high0 Ų043.3 Ų43.30%021%0.206CC..  trans-90.8110170.7-63.1168.7000107.9F262 A266 L311 F312 L346 L350F262-I348 HydrophobicContact CB-CG1 4.18Å; F262-I348 HydrophobicContact CD1-CG1 4.48Å; A266-I348 HydrophobicContact CB-CD1 4.08Å; A266-I348 HydrophobicContact CB-CG1 4.12Å; A266-I348 HydrophobicContact CB-CG2 3.81Å; L311-I348 HydrophobicContact CD2-CD1 4.35Å; L311-I348 HydrophobicContact CG-CD1 4.11Å; F312-I348 HydrophobicContact CB-CD1 4.3Å; F312-I348 HydrophobicContact CD1-CD1 3.75Å; F312-I348 HydrophobicContact CD2-CD1 3.62Å; F312-I348 HydrophobicContact CE1-CB 4.44Å; F312-I348 HydrophobicContact CE1-CD1 3.89Å; F312-I348 HydrophobicContact CE1-CG2 4.16Å; F312-I348 HydrophobicContact CE2-CD1 3.76Å; F312-I348 HydrophobicContact CG-CD1 3.62Å; F312-I348 HydrophobicContact CZ-CD1 3.91Å; F312-I348 HydrophobicContact CZ-CG2 3.95Å; L346-I348 HydrophobicContact CG-CB 4.37Å; L346-I348 PolarHBondContact O-N 3.02Å; I348-L350 HydrophobicContact CG2-CD1 3.86Å; I348-L350 HydrophobicContact CG2-CG 3.77Å
349K92.8Very high94Very high58 Ų5840.8 Ų40.825%0.25219%0.193SC..  trans-101.590.6180-173.9-164.6178.7-176.30110.1Q259 T263 N392 G393Q259-K349 HydrophobicContact CG-CB 4.29Å; T263-K349 HydrophobicContact CG2-CB 4.38Å; T263-K349 WeakPolarHBondContact CG2-O 3.34Å; T263-K349 PolarHBondContact OG1-N 3.41Å; K349-N392 PolarHBondContact NZ-O 3.11Å; K349-G393 WeakPolarHBondContact CD-O 2.93Å; K349-G393 VanDerWaalsContact CE-O 3.28Å; K349-G393 WeakPolarHBondContact CE-O 3.43Å; K349-G393 PolarHBondContact NZ-O 2.99Å; K349-G393 VanDerWaalsContact NZ-O 3.12Å
350L91.6Very high94.1Very high10 Ų1041.6 Ų41.65%0.05220%0.195CC..  trans-108.6126.6173.1-66176.1000109.7E267 F270 F312 I348 E352 L353 L437E267-L350 HydrophobicContact CG-CD2 4.14Å; F270-L350 HydrophobicContact CD2-CD1 4.46Å; F270-L350 HydrophobicContact CE2-CD1 4.09Å; F312-L350 HydrophobicContact CZ-CD1 4.28Å; I348-L350 HydrophobicContact CG2-CD1 3.86Å; I348-L350 HydrophobicContact CG2-CG 3.77Å; L350-E352 WeakPolarHBondContact CB-OE2 3.47Å; L350-E352 PolarHBondContact O-N 3.47Å; L350-E352 VanDerWaalsContact O-N 3.16Å; L350-L353 HydrophobicContact CB-CD1 4.01Å; L350-L353 HydrophobicContact CB-CG 4.06Å; L350-L353 HydrophobicContact CD1-CD1 4.39Å; L350-L353 WeakPolarHBondContact O-CB 3.36Å; L350-L353 PolarHBondContact O-N 3.5Å; L350-L437 HydrophobicContact CD1-CD2 3.79Å
351P89.1Confident94.1Very high95 Ų9541.7 Ų41.762%0.61720%0.196SC*.G310 helixtrans-53.6-32.8179.1-27.334.9000114.2L353 N354P351-L353 PolarHBondContact O-N 3.03Å; P351-N354 VanDerWaalsContact O-CB 3.29Å; P351-N354 WeakPolarHBondContact O-CB 3.47Å; P351-N354 PolarHBondContact O-N 3.17Å
352E91.1Very high93.9Very high76 Ų7641.7 Ų41.736%0.35520%0.197SC..G310 helixtrans-61.3-27.1179.2-57.590.7150.300112.3L350 N354 Q356 L437 Y438L350-E352 WeakPolarHBondContact CB-OE2 3.47Å; L350-E352 PolarHBondContact O-N 3.47Å; L350-E352 VanDerWaalsContact O-N 3.16Å; E352-N354 VanDerWaalsContact C-N 3.32Å; E352-Q356 WeakPolarHBondContact O-CG 3.32Å; E352-Q356 PolarHBondContact O-NE2 3.37Å; E352-Q356 VanDerWaalsContact O-NE2 3.09Å; E352-Q356 PolarHBondContact O-OE1 3.42Å; E352-L437 HydrophobicContact CB-CD1 4.09Å; E352-Y438 PolarHBondContact OE1-OH 3.38Å
353L91.1Very high93.7Very high1 Ų142.6 Ų42.61%0.00520%0.202CC..G310 helixtrans-83.3-8-178.1-62.7178.4000113.4F312 L346 L350 P351 Y355 Q356 V357 L395 I435 L437F312-L353 HydrophobicContact CE1-CD1 4.19Å; L346-L353 HydrophobicContact CD2-CD1 3.76Å; L350-L353 HydrophobicContact CB-CD1 4.01Å; L350-L353 HydrophobicContact CB-CG 4.06Å; L350-L353 HydrophobicContact CD1-CD1 4.39Å; L350-L353 WeakPolarHBondContact O-CB 3.36Å; L350-L353 PolarHBondContact O-N 3.5Å; P351-L353 PolarHBondContact O-N 3.03Å; L353-Y355 PolarHBondContact O-N 3.38Å; L353-Q356 PolarHBondContact O-N 3.12Å; L353-Q356 VanDerWaalsContact O-N 3.11Å; L353-V357 HydrophobicContact CB-CG2 4.05Å; L353-V357 HydrophobicContact CD2-CG2 4.15Å; L353-L395 HydrophobicContact CB-CD2 3.69Å; L353-L395 HydrophobicContact CD1-CD2 4.15Å; L353-I435 HydrophobicContact CD2-CG2 3.62Å; L353-L437 HydrophobicContact CD2-CD1 4.3Å; L353-L437 HydrophobicContact CD2-CD2 4.32Å
354N91.9Very high93.1Very high53 Ų5342.9 Ų42.928%0.28320%0.204SC..THydrogen-bonded Turntrans-60.7124.4-176.8-166.523.2000111.2P351 E352 Q356 S386 I387P351-N354 VanDerWaalsContact O-CB 3.29Å; P351-N354 WeakPolarHBondContact O-CB 3.47Å; P351-N354 PolarHBondContact O-N 3.17Å; E352-N354 VanDerWaalsContact C-N 3.32Å; N354-Q356 PolarHBondContact O-N 3.29Å; N354-S386 WeakPolarHBondContact OD1-CA 3.32Å; N354-I387 HydrophobicContact CB-CD1 3.83Å; N354-I387 HydrophobicContact CB-CG1 4.09Å; N354-I387 PolarHBondContact OD1-N 2.97Å
355Y90.1Very high92.1Very high155 Ų15547.3 Ų47.361%0.60822%0.224SC*.THydrogen-bonded Turntrans60.5-1.3-174.4-58.5-74.9000116.6L353 M385L353-Y355 PolarHBondContact O-N 3.38Å; Y355-M385 VanDerWaalsContact CA-O 3.25Å; Y355-M385 WeakPolarHBondContact CA-O 3.49Å; Y355-M385 PolarHBondContact N-O 3.19Å
356Q90.8Very high90.6Very high125 Ų12552.3 Ų52.358%0.58425%0.251SS*.THydrogen-bonded Turntrans-84.1-30.6178.9-61.2-162.2000112.5E352 L353 N354 K358E352-Q356 WeakPolarHBondContact O-CG 3.32Å; E352-Q356 PolarHBondContact O-NE2 3.37Å; E352-Q356 VanDerWaalsContact O-NE2 3.09Å; E352-Q356 PolarHBondContact O-OE1 3.42Å; L353-Q356 PolarHBondContact O-N 3.12Å; L353-Q356 VanDerWaalsContact O-N 3.11Å; N354-Q356 PolarHBondContact O-N 3.29Å; Q356-K358 PolarHBondContact O-N 3.42Å
357V93.3Very high88.8Confident2 Ų253.3 Ų53.31%0.01226%0.257CS..  trans-88.7110.7-175.1-167.80000110.6L353 A384 M385 T433 I435L353-V357 HydrophobicContact CB-CG2 4.05Å; L353-V357 HydrophobicContact CD2-CG2 4.15Å; V357-A384 CarbonylContact O-C 3.13Å; V357-A384 VanDerWaalsContact O-CA 3.3Å; V357-A384 WeakPolarHBondContact O-CA 3.45Å; V357-M385 HydrophobicContact CB-CB 4.39Å; V357-M385 HydrophobicContact CB-CE 4.03Å; V357-M385 HydrophobicContact CB-CG 4.18Å; V357-M385 HydrophobicContact CG1-CE 3.38Å; V357-M385 HydrophobicContact CG1-CG 4.35Å; V357-M385 PolarHBondContact O-N 2.96Å; V357-T433 HydrophobicContact CG1-CG2 3.8Å; V357-T433 WeakPolarHBondContact CG1-OG1 3.3Å; V357-I435 HydrophobicContact CG1-CD1 4.25Å; V357-I435 HydrophobicContact CG1-CG1 3.95Å; V357-I435 HydrophobicContact CG2-CD1 4.06Å; V357-I435 HydrophobicContact CG2-CG1 4.03Å
358K95.5Very high86.7Confident143 Ų14358.3 Ų58.362%0.62229%0.292SS*.EExtended strand (participates in β ladder)trans-101.2112.7178.8-70.2-178.7-176.9174.20111Q356 A384 T433Q356-K358 PolarHBondContact O-N 3.42Å; K358-A384 HydrophobicContact CG-CB 4.33Å; K358-T433 PolarHBondContact O-OG1 3.31Å
359V97.1Very high84.6Confident0 Ų064.2 Ų64.20%033%0.328CS..EExtended strand (participates in β ladder)trans-93.7133.5-179.3-175.10000111F316 L344 V382 K383 M385 V397 F399 F431 E432 T433F316-V359 HydrophobicContact CE2-CG2 4.26Å; F316-V359 HydrophobicContact CZ-CG1 3.93Å; F316-V359 HydrophobicContact CZ-CG2 4.1Å; L344-V359 HydrophobicContact CD1-CG1 3.6Å; V359-V382 CarbonylContact O-C 3.19Å; V359-V382 VanDerWaalsContact O-CA 3.24Å; V359-V382 WeakPolarHBondContact O-CA 3.5Å; V359-K383 PolarHBondContact N-O 3.18Å; V359-K383 PolarHBondContact O-N 3.37Å; V359-M385 HydrophobicContact CG2-CE 3.73Å; V359-M385 HydrophobicContact CG2-CG 3.8Å; V359-M385 HydrophobicContact CG2-SD 4.2Å; V359-V397 HydrophobicContact CB-CG1 4.22Å; V359-V397 HydrophobicContact CG2-CG1 3.87Å; V359-F399 HydrophobicContact CB-CE2 4.44Å; V359-F399 HydrophobicContact CB-CZ 4.17Å; V359-F399 HydrophobicContact CG1-CE2 4.22Å; V359-F399 HydrophobicContact CG1-CZ 4.14Å; V359-F431 HydrophobicContact CG1-CB 3.99Å; V359-E432 CarbonylContact C-O 3.42Å; V359-E432 WeakPolarHBondContact CA-O 3.31Å; V359-T433 HydrophobicContact CG2-CG2 4.35Å
360K96.8Very high82.9Confident105 Ų10566.7 Ų66.746%0.45734%0.344SS..EExtended strand (participates in β ladder)trans-108.8129173179.9-178.5175.7-1690110.4N381 V382 F431 E432K360-N381 CarbonylContact C-O 3.54Å; K360-N381 WeakPolarHBondContact CA-O 3Å; K360-V382 HydrophobicContact CB-CG2 4.05Å; K360-V382 HydrophobicContact CG-CG2 3.96Å; K360-F431 CarbonylContact O-C 3.11Å; K360-F431 WeakPolarHBondContact O-CA 3.26Å; K360-E432 PolarHBondContact N-O 3.49Å; K360-E432 PolarHBondContact O-N 3.38Å
361A96.4Very high81.5Confident3 Ų367.6 Ų67.63%0.02535%0.351CS..EExtended strand (participates in β ladder)trans-96.8136173.300000111L377 N381 F399 L402 F431A361-L377 HydrophobicContact CB-CD1 4.08Å; A361-N381 PolarHBondContact N-O 2.89Å; A361-F399 HydrophobicContact CB-CE1 4.4Å; A361-F399 HydrophobicContact CB-CZ 4.48Å; A361-L402 HydrophobicContact CB-CD1 4.26Å; A361-F431 HydrophobicContact CB-CD1 3.72Å; A361-F431 HydrophobicContact CB-CE1 3.71Å
362S93.5Very high80.5Confident23 Ų2368.7 Ų68.716%0.16135%0.352CS..EExtended strand (participates in β ladder)trans-139.8165174.365.60000110.1I429 T430S362-I429 CarbonylContact O-C 3.56Å; S362-I429 WeakPolarHBondContact O-CA 3.31Å; S362-I429 WeakPolarHBondContact O-CG2 3.42Å; S362-T430 PolarHBondContact N-O 2.8Å; S362-T430 PolarHBondContact O-N 2.89Å; S362-T430 PolarHBondContact OG-O 3.45Å
363I91.4Very high80.2Confident19 Ų1966.6 Ų66.610%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-127.4138.9178.8-174.5162.7000109.3K365 F375 L377 H427 S428 I429 M453I363-K365 PolarHBondContact O-N 3.47Å; I363-K365 VanDerWaalsContact O-N 3.14Å; I363-F375 HydrophobicContact CD1-CB 4.01Å; I363-F375 HydrophobicContact CG2-CB 4.32Å; I363-F375 WeakPolarHBondContact CG2-O 3.4Å; I363-L377 HydrophobicContact CB-CD1 4.35Å; I363-L377 HydrophobicContact CB-CD2 4.43Å; I363-L377 HydrophobicContact CB-CG 4.08Å; I363-L377 HydrophobicContact CG2-CD2 4.45Å; I363-L377 HydrophobicContact CG2-CG 3.97Å; I363-H427 HydrophobicContact CD1-CB 4.38Å; I363-S428 WeakPolarHBondContact CA-O 3.47Å; I363-I429 HydrophobicContact CD1-CG1 4.29Å; I363-I429 HydrophobicContact CG1-CG1 4.44Å; I363-M453 HydrophobicContact CD1-CE 3.25Å
364D83.5Confident79.8Confident24 Ų2473.8 Ų73.813%0.12837%0.367CS..SBendtrans54.131.8175.6-58-30.7000115N366 V367 H427 S428D364-N366 VanDerWaalsContact C-N 3.28Å; D364-N366 PolarHBondContact O-N 2.79Å; D364-V367 HydrophobicContact CB-CB 4.21Å; D364-V367 HydrophobicContact CB-CG2 4.43Å; D364-V367 PolarHBondContact O-N 2.85Å; D364-H427 WeakPolarHBondContact OD1-CA 3.5Å; D364-H427 WeakPolarHBondContact OD1-CB 3.48Å; D364-H427 IonicContact OD1-CG 3.4Å; D364-H427 IonicContact OD1-ND1 2.66Å; D364-H427 IonicContact OD2-CE1 2.7Å; D364-H427 IonicContact OD2-CG 3.16Å; D364-H427 IonicContact OD2-ND1 3.28Å; D364-H427 PolarHBondContact OD2-ND1 3.11Å; D364-S428 PolarHBondContact N-O 3.03Å; D364-S428 PolarHBondContact OD1-N 3.22Å; D364-S428 VanDerWaalsContact OD1-N 3.12Å
365K75.9Confident79.7Confident93 Ų9371.6 Ų71.640%0.40436%0.355SS..THydrogen-bonded Turntrans-56.4-39.2-176-172.9-174.9168.3-161.70113.1I363 E432 E445I363-K365 PolarHBondContact O-N 3.47Å; I363-K365 VanDerWaalsContact O-N 3.14Å; K365-E432 WeakPolarHBondContact CD-OE2 3.42Å; K365-E432 IonicContact NZ-OE1 3.38Å; K365-E432 PolarHBondContact NZ-OE1 3.08Å; K365-E432 IonicContact NZ-OE2 2.74Å; K365-E432 PolarHBondContact NZ-OE2 3Å; K365-E432 VanDerWaalsContact NZ-OE2 3.12Å; K365-E445 IonicContact NZ-OE2 3.42Å
366N63.8Low79.8Confident113 Ų11367.1 Ų67.160%0.60434%0.344SS*.THydrogen-bonded Turntrans-101.98.5-175.6-61.8-24.3000113.5D364D364-N366 VanDerWaalsContact C-N 3.28Å; D364-N366 PolarHBondContact O-N 2.79Å
367V59.2Low79.9Confident21 Ų2161.8 Ų61.813%0.12732%0.319CS..  trans-118.324.1-162.6-160.80000112.2D364 T369 L370 L480D364-V367 HydrophobicContact CB-CB 4.21Å; D364-V367 HydrophobicContact CB-CG2 4.43Å; D364-V367 PolarHBondContact O-N 2.85Å; V367-T369 PolarHBondContact O-N 3.29Å; V367-L370 HydrophobicContact CG1-CB 3.98Å; V367-L370 HydrophobicContact CG1-CD1 4.32Å; V367-L370 PolarHBondContact O-N 3.24Å; V367-L480 HydrophobicContact CB-CD1 4.28Å; V367-L480 HydrophobicContact CG1-CD1 3.75Å; V367-L480 HydrophobicContact CG2-CD1 3.47Å; V367-L480 VanDerWaalsContact CG2-CD1 3.47Å
368S51.3Low79.8Confident105 Ų10563.9 Ų63.973%0.73433%0.333SS*.THydrogen-bonded Turntrans-60.9-3.9-170.957.50000116
369T50.6Low79.5Confident125 Ų12559.6 Ų59.677%0.76733%0.33SS*.THydrogen-bonded Turntrans-122.3-3.9-175.454.40000116.2V367V367-T369 PolarHBondContact O-N 3.29Å
370L57.3Low79.2Confident110 Ų11063.4 Ų63.458%0.57635%0.354SS*.THydrogen-bonded Turntrans-116.6-25.1-165.7-70.4161000115.6V367 V481V367-L370 HydrophobicContact CG1-CB 3.98Å; V367-L370 HydrophobicContact CG1-CD1 4.32Å; V367-L370 PolarHBondContact O-N 3.24Å; L370-V481 HydrophobicContact CD1-CG1 4.35Å; L370-V481 HydrophobicContact CD2-CG1 3.89Å; L370-V481 HydrophobicContact CG-CG1 4.49Å
371S61.6Low78.8Confident28 Ų2861.5 Ų61.520%0.19635%0.348CS..  trans-107.7136.6-175.5163.10000111.1R373 E425 H427S371-R373 PolarHBondContact OG-O 3.29Å; S371-E425 WeakPolarHBondContact CB-OE1 3.47Å; S371-E425 PolarHBondContact OG-OE1 3.38Å; S371-H427 PolarHBondContact OG-CE1 2.91Å
372N69.1Low78.7Confident119 Ų11964.5 Ų64.564%0.63637%0.366SS*.SBendtrans-77.3-27.8-176.5-68-44.7000111.6G418 E425N372-G418 WeakPolarHBondContact ND2-CA 3.17Å; N372-E425 PolarHBondContact N-OE1 3.09Å
373R83.5Confident78.8Confident31 Ų3167.4 Ų67.412%0.11738%0.376CS..SBendtrans-108.7135.1177.8-67.3-177.4-63.81565.3110.7S371 F375 E406 V422 E425 H427 M453S371-R373 PolarHBondContact OG-O 3.29Å; R373-F375 HydrophobicContact CB-CE2 3.69Å; R373-F375 HydrophobicContact CB-CZ 3.95Å; R373-E406 WeakPolarHBondContact CD-OE1 3.16Å; R373-V422 PolarHBondContact NH2-O 3.38Å; R373-E425 IonicContact CZ-OE2 3.12Å; R373-E425 PolarHBondContact N-OE1 3.4Å; R373-E425 IonicContact NE-OE2 2.58Å; R373-E425 PolarHBondContact NE-OE2 3.29Å; R373-E425 IonicContact NH2-OE2 3.64Å; R373-E425 PolarHBondContact NH2-OE2 3.33Å; R373-H427 PolarHBondContact O-CE1 3.45Å; R373-M453 PolarHBondContact NH1-O 2.95Å; R373-M453 PolarHBondContact NH2-O 3.49Å
374R84.3Confident78.9Confident152 Ų15267.9 Ų67.957%0.57438%0.383SS*.EExtended strand (participates in β ladder)trans-110.1141.9176.9-65.2-168.1-60.9172.40.7110.8M407R374-M407 HydrophobicContact CB-CB 4.37Å; R374-M407 PolarHBondContact O-N 3.46Å
375F89.8Confident79.4Confident8 Ų866.8 Ų66.84%0.03538%0.377CS..EExtended strand (participates in β ladder)trans-123.8156.5-179.5-62.2-86.3000110.9T336 I363 R373 K405 E406 H427 M453T336-F375 HydrophobicContact CG2-CD1 4.33Å; T336-F375 HydrophobicContact CG2-CE1 3.7Å; I363-F375 HydrophobicContact CD1-CB 4.01Å; I363-F375 HydrophobicContact CG2-CB 4.32Å; I363-F375 WeakPolarHBondContact CG2-O 3.4Å; R373-F375 HydrophobicContact CB-CE2 3.69Å; R373-F375 HydrophobicContact CB-CZ 3.95Å; F375-K405 CarbonylContact C-O 3.56Å; F375-K405 WeakPolarHBondContact CA-O 3.44Å; F375-E406 HydrophobicContact CD1-CB 4Å; F375-E406 HydrophobicContact CD1-CG 4.41Å; F375-E406 HydrophobicContact CE1-CB 3.71Å; F375-E406 HydrophobicContact CE1-CG 3.91Å; F375-E406 HydrophobicContact CZ-CG 4.33Å; F375-H427 AromaticContact CD2-CE1 3.53Å; F375-H427 AromaticContact CD2-ND1 3.8Å; F375-H427 AromaticContact CD2-NE2 3.95Å; F375-H427 AromaticContact CE2-CE1 3.39Å; F375-H427 WeakPolarHBondContact CE2-CE1 3.41Å; F375-H427 AromaticContact CE2-NE2 3.45Å; F375-H427 WeakPolarHBondContact CE2-NE2 3.41Å; F375-M453 HydrophobicContact CD1-CG 4.4Å; F375-M453 HydrophobicContact CD2-CB 4.44Å; F375-M453 HydrophobicContact CD2-CG 4Å; F375-M453 HydrophobicContact CE1-CB 4.02Å; F375-M453 HydrophobicContact CE1-CG 4.26Å; F375-M453 HydrophobicContact CE2-CB 3.8Å; F375-M453 HydrophobicContact CE2-CG 3.85Å; F375-M453 HydrophobicContact CG-CG 4.29Å; F375-M453 HydrophobicContact CZ-CB 3.56Å; F375-M453 HydrophobicContact CZ-CG 3.99Å
376V92Very high80.2Confident60 Ų6064 Ų6436%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-131.5145.6168.2169.20000109.2K405 M407V376-K405 PolarHBondContact N-O 3.46Å; V376-K405 PolarHBondContact O-N 3.03Å; V376-M407 HydrophobicContact CB-CE 4.32Å; V376-M407 HydrophobicContact CB-CG 4.48Å; V376-M407 HydrophobicContact CG2-CE 3.38Å; V376-M407 HydrophobicContact CG2-CG 3.88Å; V376-M407 HydrophobicContact CG2-SD 3.45Å; V376-M407 WeakPolarHBondContact CG2-SD 3.4Å
377L92.6Very high81.4Confident13 Ų1361 Ų617%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-84.7118.8174.4-60.6178.5000110.2F340 A361 I363 Q403 I429F340-L377 HydrophobicContact CE1-CD2 3.94Å; F340-L377 HydrophobicContact CZ-CD2 3.84Å; A361-L377 HydrophobicContact CB-CD1 4.08Å; I363-L377 HydrophobicContact CB-CD1 4.35Å; I363-L377 HydrophobicContact CB-CD2 4.43Å; I363-L377 HydrophobicContact CB-CG 4.08Å; I363-L377 HydrophobicContact CG2-CD2 4.45Å; I363-L377 HydrophobicContact CG2-CG 3.97Å; L377-Q403 WeakPolarHBondContact CA-O 3.44Å; L377-I429 HydrophobicContact CD1-CG2 4.07Å
378C90.6Very high82.5Confident46 Ų4663 Ų6331%0.31136%0.361SS..EExtended strand (participates in β ladder)trans-93.7160.2168.1-60.90000110.6Q403C378-Q403 HydrophobicContact CB-CB 4.34Å; C378-Q403 PolarHBondContact N-O 3.25Å; C378-Q403 PolarHBondContact O-N 3.13Å
379G89.6Confident83.3Confident54 Ų5467.7 Ų67.756%0.55737%0.371SS*.SBendtrans98.4-155.4-178.200000113N381G379-N381 PolarHBondContact O-N 3.14Å
380T90.6Very high83.8Confident80 Ų8064.8 Ų64.849%0.49136%0.356SS..  trans-8087179.7-49.60000110.1V382 F399T380-V382 VanDerWaalsContact CG2-O 3.3Å; T380-V382 WeakPolarHBondContact CG2-O 3.43Å; T380-F399 VanDerWaalsContact O-CD1 3.29Å; T380-F399 WeakPolarHBondContact O-CD1 3.45Å
381N88.9Confident83.5Confident64 Ų6465.6 Ų65.634%0.34237%0.371SS..  trans-84.8-4.6-179.866.2-12.7000114.2K360 A361 G379 L402K360-N381 CarbonylContact C-O 3.54Å; K360-N381 WeakPolarHBondContact CA-O 3Å; A361-N381 PolarHBondContact N-O 2.89Å; G379-N381 PolarHBondContact O-N 3.14Å; N381-L402 HydrophobicContact CB-CD2 4.35Å
382V94.2Very high83.5Confident66 Ų6668 Ų6840%0.438%0.381SS..EExtended strand (participates in β ladder)trans-126.1128.2172-178.60000109.4V359 K360 T380V359-V382 CarbonylContact O-C 3.19Å; V359-V382 VanDerWaalsContact O-CA 3.24Å; V359-V382 WeakPolarHBondContact O-CA 3.5Å; K360-V382 HydrophobicContact CB-CG2 4.05Å; K360-V382 HydrophobicContact CG-CG2 3.96Å; T380-V382 VanDerWaalsContact CG2-O 3.3Å; T380-V382 WeakPolarHBondContact CG2-O 3.43Å
383K95.2Very high83.8Confident84 Ų8462.6 Ų62.637%0.36535%0.353SS..EExtended strand (participates in β ladder)trans-147.6142179.7-167.4174.2174.2179.40111.3V359 V397 E398 F399V359-K383 PolarHBondContact N-O 3.18Å; V359-K383 PolarHBondContact O-N 3.37Å; K383-V397 HydrophobicContact CB-CG2 3.65Å; K383-V397 HydrophobicContact CD-CG2 3.67Å; K383-V397 HydrophobicContact CG-CG2 3.57Å; K383-E398 WeakPolarHBondContact CD-O 3.47Å; K383-E398 WeakPolarHBondContact CE-O 3.36Å; K383-E398 PolarHBondContact NZ-O 3.42Å; K383-F399 HydrophobicContact CB-CD1 4.23Å; K383-F399 HydrophobicContact CB-CE1 3.66Å; K383-F399 HydrophobicContact CB-CZ 3.93Å
384A94.4Very high84Confident30 Ų3061.2 Ų61.225%0.24835%0.349CS..EExtended strand (participates in β ladder)trans-79.8144.7176.500000111.4V357 K358V357-A384 CarbonylContact O-C 3.13Å; V357-A384 VanDerWaalsContact O-CA 3.3Å; V357-A384 WeakPolarHBondContact O-CA 3.45Å; K358-A384 HydrophobicContact CG-CB 4.33Å
385M93.6Very high84.4Confident0 Ų054 Ų540%032%0.322CS..  trans-75.1143.8170.2-53.6-146.9-125.600110.9F316 L346 Y355 V357 V359 L395 S396 V397 T433F316-M385 HydrophobicContact CD2-CE 4Å; F316-M385 HydrophobicContact CE2-CE 3.67Å; F316-M385 HydrophobicContact CE2-SD 4.43Å; L346-M385 HydrophobicContact CB-CE 4.21Å; L346-M385 HydrophobicContact CB-SD 4.28Å; Y355-M385 VanDerWaalsContact CA-O 3.25Å; Y355-M385 WeakPolarHBondContact CA-O 3.49Å; Y355-M385 PolarHBondContact N-O 3.19Å; V357-M385 HydrophobicContact CB-CB 4.39Å; V357-M385 HydrophobicContact CB-CE 4.03Å; V357-M385 HydrophobicContact CB-CG 4.18Å; V357-M385 HydrophobicContact CG1-CE 3.38Å; V357-M385 HydrophobicContact CG1-CG 4.35Å; V357-M385 PolarHBondContact O-N 2.96Å; V359-M385 HydrophobicContact CG2-CE 3.73Å; V359-M385 HydrophobicContact CG2-CG 3.8Å; V359-M385 HydrophobicContact CG2-SD 4.2Å; M385-L395 HydrophobicContact CB-CD1 3.87Å; M385-L395 HydrophobicContact CB-CG 4.23Å; M385-S396 WeakPolarHBondContact CA-O 3.07Å; M385-V397 HydrophobicContact CB-CB 4.4Å; M385-V397 HydrophobicContact CG-CB 3.92Å; M385-V397 HydrophobicContact CG-CG1 3.83Å; M385-V397 HydrophobicContact SD-CG1 4.15Å; M385-T433 HydrophobicContact CE-CG2 4.37Å
386S92.1Very high84.6Confident34 Ų3453.7 Ų53.724%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-134.2154178.857.10000110.6N354 S396N354-S386 WeakPolarHBondContact OD1-CA 3.32Å; S386-S396 PolarHBondContact N-O 2.77Å; S386-S396 PolarHBondContact O-N 3.22Å; S386-S396 VanDerWaalsContact O-N 3.08Å
387I89.1Confident84.8Confident50 Ų5050.9 Ų50.926%0.25630%0.303SS..EExtended strand (participates in β ladder)trans-79.5119.6171.5-61.2174000109.3N354 S394 L395N354-I387 HydrophobicContact CB-CD1 3.83Å; N354-I387 HydrophobicContact CB-CG1 4.09Å; N354-I387 PolarHBondContact OD1-N 2.97Å; I387-S394 CarbonylContact C-O 3.58Å; I387-S394 VanDerWaalsContact CA-O 3.31Å; I387-S394 WeakPolarHBondContact CA-O 3.46Å; I387-L395 HydrophobicContact CG1-CD1 4.09Å
388E83.1Confident84.9Confident64 Ų6451.4 Ų51.430%0.29931%0.306SS..  trans-77.9144.2173.7-68.4179.7160.100111.5K343 S390 G393 S394 S396K343-E388 WeakPolarHBondContact CE-OE1 3.46Å; K343-E388 IonicContact NZ-OE1 2.76Å; K343-E388 PolarHBondContact NZ-OE1 3.43Å; K343-E388 IonicContact NZ-OE2 2.77Å; K343-E388 PolarHBondContact NZ-OE2 2.97Å; E388-S390 PolarHBondContact O-N 2.68Å; E388-S390 VanDerWaalsContact O-N 3.15Å; E388-G393 WeakPolarHBondContact O-CA 3.43Å; E388-S394 PolarHBondContact N-O 3.39Å; E388-S394 PolarHBondContact OE2-OG 3.26Å; E388-S396 PolarHBondContact OE1-OG 3.26Å
389E67.6Low85.2Confident203 Ų20349.4 Ų49.495%0.94929%0.291SS*.  trans-79.921-177.5-64-179.1168.900114.5
390S59.8Low85.4Confident65 Ų6553.6 Ų53.646%0.45529%0.29SS..SBendtrans-68.7166176.457.40000112.4E388 N392 G393E388-S390 PolarHBondContact O-N 2.68Å; E388-S390 VanDerWaalsContact O-N 3.15Å; S390-N392 PolarHBondContact O-N 3.01Å; S390-G393 PolarHBondContact O-N 3.01Å
391S51.3Low85.4Confident126 Ų12654.8 Ų54.888%0.88129%0.29SS*.THydrogen-bonded Turntrans-49.1-33.7-174.349.70000115.2
392N61.4Low85.7Confident79 Ų7951.8 Ų51.842%0.42227%0.274SS..THydrogen-bonded Turntrans-107.7-9.5174.2-73.8-17.5000114.4K349 S390K349-N392 PolarHBondContact NZ-O 3.11Å; S390-N392 PolarHBondContact O-N 3.01Å
393G76.3Confident85.6Confident5 Ų551.4 Ų51.45%0.05227%0.268CS..  trans52.6133.7-172.400000115.3Q259 K349 E388 S390Q259-G393 PolarHBondContact NE2-O 3.32Å; Q259-G393 VanDerWaalsContact NE2-O 3.1Å; K349-G393 WeakPolarHBondContact CD-O 2.93Å; K349-G393 VanDerWaalsContact CE-O 3.28Å; K349-G393 WeakPolarHBondContact CE-O 3.43Å; K349-G393 PolarHBondContact NZ-O 2.99Å; K349-G393 VanDerWaalsContact NZ-O 3.12Å; E388-G393 WeakPolarHBondContact O-CA 3.43Å; S390-G393 PolarHBondContact O-N 3.01Å
394S87.6Confident85.6Confident3 Ų347.4 Ų47.42%0.02125%0.251CS..  trans-121.4140.5179.676.20000111.3I387 E388 S396I387-S394 CarbonylContact C-O 3.58Å; I387-S394 VanDerWaalsContact CA-O 3.31Å; I387-S394 WeakPolarHBondContact CA-O 3.46Å; E388-S394 PolarHBondContact N-O 3.39Å; E388-S394 PolarHBondContact OE2-OG 3.26Å; S394-S396 PolarHBondContact O-N 2.88Å; S394-S396 PolarHBondContact OG-OG 3.29Å; S394-S396 VanDerWaalsContact OG-OG 3.1Å
395L93.2Very high85.5Confident0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans-85.199.9168-177.562.3000108.1L346 L353 M385 I387L346-L395 HydrophobicContact CB-CD2 4.13Å; L346-L395 HydrophobicContact CB-CG 4.35Å; L346-L395 HydrophobicContact CD2-CD2 3.78Å; L346-L395 PolarHBondContact N-O 3.3Å; L353-L395 HydrophobicContact CB-CD2 3.69Å; L353-L395 HydrophobicContact CD1-CD2 4.15Å; M385-L395 HydrophobicContact CB-CD1 3.87Å; M385-L395 HydrophobicContact CB-CG 4.23Å; I387-L395 HydrophobicContact CG1-CD1 4.09Å
396S94.3Very high85.3Confident1 Ų155.3 Ų55.31%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-140.8163.8-171.360.60000112.4K343 L344 M385 S386 E388 S394K343-S396 VanDerWaalsContact CE-OG 3.25Å; K343-S396 WeakPolarHBondContact CE-OG 3.08Å; L344-S396 CarbonylContact O-C 3.52Å; L344-S396 WeakPolarHBondContact O-CA 3.39Å; L344-S396 WeakPolarHBondContact O-CB 3.34Å; M385-S396 WeakPolarHBondContact CA-O 3.07Å; S386-S396 PolarHBondContact N-O 2.77Å; S386-S396 PolarHBondContact O-N 3.22Å; S386-S396 VanDerWaalsContact O-N 3.08Å; E388-S396 PolarHBondContact OE1-OG 3.26Å; S394-S396 PolarHBondContact O-N 2.88Å; S394-S396 PolarHBondContact OG-OG 3.29Å; S394-S396 VanDerWaalsContact OG-OG 3.1Å
397V95.3Very high84.9Confident2 Ų258.3 Ų58.31%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-137.3126.2172.359.50000109.7K343 L344 V359 K383 M385 F399K343-V397 WeakPolarHBondContact CA-O 3.29Å; L344-V397 HydrophobicContact CB-CG1 3.79Å; L344-V397 HydrophobicContact CD1-CG1 3.93Å; L344-V397 HydrophobicContact CG-CG1 4.41Å; L344-V397 PolarHBondContact N-O 3.49Å; L344-V397 PolarHBondContact O-N 2.87Å; V359-V397 HydrophobicContact CB-CG1 4.22Å; V359-V397 HydrophobicContact CG2-CG1 3.87Å; K383-V397 HydrophobicContact CB-CG2 3.65Å; K383-V397 HydrophobicContact CD-CG2 3.67Å; K383-V397 HydrophobicContact CG-CG2 3.57Å; M385-V397 HydrophobicContact CB-CB 4.4Å; M385-V397 HydrophobicContact CG-CB 3.92Å; M385-V397 HydrophobicContact CG-CG1 3.83Å; M385-V397 HydrophobicContact SD-CG1 4.15Å; V397-F399 HydrophobicContact CG1-CE2 4.01Å; V397-F399 HydrophobicContact CG2-CD2 4.43Å; V397-F399 HydrophobicContact CG2-CE2 4.03Å; V397-F399 HydrophobicContact CG2-CZ 4.36Å
398E95.6Very high84.2Confident24 Ų2465.5 Ų65.511%0.11232%0.322CS..EExtended strand (participates in β ladder)trans-108.2118.6175.8-170.5179.6-151.600110.4R320 K343 K383 R400R320-E398 IonicContact NH1-OE1 3.34Å; R320-E398 PolarHBondContact NH1-OE1 3.41Å; K343-E398 HydrophobicContact CB-CB 4.44Å; K343-E398 HydrophobicContact CB-CG 4.3Å; K343-E398 HydrophobicContact CG-CB 4.16Å; K343-E398 HydrophobicContact CG-CG 4.49Å; K383-E398 WeakPolarHBondContact CD-O 3.47Å; K383-E398 WeakPolarHBondContact CE-O 3.36Å; K383-E398 PolarHBondContact NZ-O 3.42Å; E398-R400 HydrophobicContact CG-CG 3.94Å; E398-R400 IonicContact OE2-CZ 3.6Å; E398-R400 IonicContact OE2-NE 3.1Å; E398-R400 PolarHBondContact OE2-NE 2.89Å; E398-R400 IonicContact OE2-NH2 3.14Å; E398-R400 PolarHBondContact OE2-NH2 3.08Å
399F96.1Very high82.9Confident3 Ų366.8 Ų66.81%0.01334%0.338CS..EExtended strand (participates in β ladder)trans-89.5114.5170-66.9-92.9000108.3T341 V342 L344 V359 A361 T380 K383 V397 L402 F431T341-F399 CarbonylContact C-O 3.6Å; T341-F399 WeakPolarHBondContact CA-O 3.38Å; V342-F399 HydrophobicContact CG1-CB 3.81Å; V342-F399 HydrophobicContact CG1-CD2 4.13Å; V342-F399 HydrophobicContact CG1-CG 4.31Å; V342-F399 PolarHBondContact N-O 3.28Å; V342-F399 PolarHBondContact O-N 2.93Å; L344-F399 HydrophobicContact CD1-CD2 4.46Å; L344-F399 HydrophobicContact CD1-CE2 3.83Å; V359-F399 HydrophobicContact CB-CE2 4.44Å; V359-F399 HydrophobicContact CB-CZ 4.17Å; V359-F399 HydrophobicContact CG1-CE2 4.22Å; V359-F399 HydrophobicContact CG1-CZ 4.14Å; A361-F399 HydrophobicContact CB-CE1 4.4Å; A361-F399 HydrophobicContact CB-CZ 4.48Å; T380-F399 VanDerWaalsContact O-CD1 3.29Å; T380-F399 WeakPolarHBondContact O-CD1 3.45Å; K383-F399 HydrophobicContact CB-CD1 4.23Å; K383-F399 HydrophobicContact CB-CE1 3.66Å; K383-F399 HydrophobicContact CB-CZ 3.93Å; V397-F399 HydrophobicContact CG1-CE2 4.01Å; V397-F399 HydrophobicContact CG2-CD2 4.43Å; V397-F399 HydrophobicContact CG2-CE2 4.03Å; V397-F399 HydrophobicContact CG2-CZ 4.36Å; F399-L402 HydrophobicContact CB-CD1 3.55Å; F399-L402 HydrophobicContact CB-CG 3.89Å; F399-L402 HydrophobicContact CD1-CD1 4.1Å; F399-L402 HydrophobicContact CD1-CD2 4.32Å; F399-L402 HydrophobicContact CD1-CG 4.3Å; F399-L402 HydrophobicContact CG-CD1 3.92Å; F399-L402 HydrophobicContact CG-CG 4.42Å; F399-F431 HydrophobicContact CD2-CE1 4.47Å; F399-F431 HydrophobicContact CE2-CD1 4.35Å; F399-F431 HydrophobicContact CE2-CE1 4.47Å
400R92.9Very high81.8Confident142 Ų14263.4 Ų63.454%0.53634%0.336SS..EExtended strand (participates in β ladder)trans-102.8-19.7-177.5-63.7-175.1-177170.91.3115.2F340 T341 E398F340-R400 CarbonylContact O-C 3.57Å; T341-R400 HydrophobicContact CG2-CB 4.34Å; T341-R400 HydrophobicContact CG2-CG 4.39Å; E398-R400 HydrophobicContact CG-CG 3.94Å; E398-R400 IonicContact OE2-CZ 3.6Å; E398-R400 IonicContact OE2-NE 3.1Å; E398-R400 PolarHBondContact OE2-NE 2.89Å; E398-R400 IonicContact OE2-NH2 3.14Å; E398-R400 PolarHBondContact OE2-NH2 3.08Å
401H91.1Very high81.1Confident106 Ų10664 Ų6449%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-122.931.7-168-54.6-57000112.3Q339Q339-H401 PolarHBondContact OE1-ND1 3.26Å
402L94.6Very high80.7Confident1 Ų162.5 Ų62.51%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-80138.9172.8-67.8174.4000109.7Q339 F340 V342 A361 N381 F399Q339-L402 CarbonylContact C-O 3.48Å; Q339-L402 VanDerWaalsContact CA-O 3.29Å; Q339-L402 WeakPolarHBondContact CA-O 3.41Å; F340-L402 HydrophobicContact CD1-CB 4.04Å; F340-L402 WeakPolarHBondContact CD1-O 3.32Å; F340-L402 HydrophobicContact CD2-CB 4.39Å; F340-L402 HydrophobicContact CE1-CB 3.47Å; F340-L402 VanDerWaalsContact CE1-CB 3.47Å; F340-L402 HydrophobicContact CE2-CB 3.87Å; F340-L402 HydrophobicContact CE2-CD1 3.87Å; F340-L402 HydrophobicContact CG-CB 4.47Å; F340-L402 HydrophobicContact CZ-CB 3.38Å; F340-L402 HydrophobicContact CZ-CD1 3.82Å; F340-L402 HydrophobicContact CZ-CG 4.25Å; F340-L402 PolarHBondContact N-O 3.18Å; V342-L402 HydrophobicContact CG1-CD1 3.92Å; A361-L402 HydrophobicContact CB-CD1 4.26Å; N381-L402 HydrophobicContact CB-CD2 4.35Å; F399-L402 HydrophobicContact CB-CD1 3.55Å; F399-L402 HydrophobicContact CB-CG 3.89Å; F399-L402 HydrophobicContact CD1-CD1 4.1Å; F399-L402 HydrophobicContact CD1-CD2 4.32Å; F399-L402 HydrophobicContact CD1-CG 4.3Å; F399-L402 HydrophobicContact CG-CD1 3.92Å; F399-L402 HydrophobicContact CG-CG 4.42Å
403Q94Very high79.6Confident57 Ų5761.6 Ų61.627%0.26636%0.359SS..EExtended strand (participates in β ladder)trans-133.6126177.9-68.1179-24.500110Q339 L377 C378Q339-Q403 HydrophobicContact CB-CG 4.3Å; Q339-Q403 HydrophobicContact CG-CG 3.61Å; L377-Q403 WeakPolarHBondContact CA-O 3.44Å; C378-Q403 HydrophobicContact CB-CB 4.34Å; C378-Q403 PolarHBondContact N-O 3.25Å; C378-Q403 PolarHBondContact O-N 3.13Å
404P93.5Very high78.2Confident0 Ų072.2 Ų72.20%040%0.404CS..EExtended strand (participates in β ladder)trans-80.5129.6174.130.4-26.8000109.6L334 T336 L337 I338 F340 M453L334-P404 HydrophobicContact CB-CG 4.35Å; T336-P404 WeakPolarHBondContact CA-O 3.39Å; L337-P404 PolarHBondContact N-O 3.29Å; I338-P404 WeakPolarHBondContact O-CD 3.34Å; F340-P404 HydrophobicContact CE1-CG 4.42Å; P404-M453 HydrophobicContact CB-CE 3.74Å; P404-M453 HydrophobicContact CB-SD 3.82Å; P404-M453 HydrophobicContact CG-CE 4.29Å; P404-M453 HydrophobicContact CG-SD 3.96Å
405K92.1Very high75.9Confident114 Ų11475.1 Ų75.150%0.49643%0.434SS..EExtended strand (participates in β ladder)trans-122.1127175.4-176.7176.7178.7-179.70109.7L337 F375 V376L337-K405 HydrophobicContact CD2-CB 4.39Å; L337-K405 HydrophobicContact CD2-CG 4.11Å; F375-K405 CarbonylContact C-O 3.56Å; F375-K405 WeakPolarHBondContact CA-O 3.44Å; V376-K405 PolarHBondContact N-O 3.46Å; V376-K405 PolarHBondContact O-N 3.03Å
406E90.4Very high73.2Confident82 Ų8282.6 Ų82.638%0.38347%0.474SS..EExtended strand (participates in β ladder)trans-69.3132.6176.6-167.4171.5-176.300110.8R373 F375R373-E406 WeakPolarHBondContact CD-OE1 3.16Å; F375-E406 HydrophobicContact CD1-CB 4Å; F375-E406 HydrophobicContact CD1-CG 4.41Å; F375-E406 HydrophobicContact CE1-CB 3.71Å; F375-E406 HydrophobicContact CE1-CG 3.91Å; F375-E406 HydrophobicContact CZ-CG 4.33Å
407M83.8Confident70.7Confident98 Ų9892.1 Ų92.148%0.48352%0.518SS..EExtended strand (participates in β ladder)trans-89.6120.1172.8-73-166.4136.500109.5R374 V376 S409R374-M407 HydrophobicContact CB-CB 4.37Å; R374-M407 PolarHBondContact O-N 3.46Å; V376-M407 HydrophobicContact CB-CE 4.32Å; V376-M407 HydrophobicContact CB-CG 4.48Å; V376-M407 HydrophobicContact CG2-CE 3.38Å; V376-M407 HydrophobicContact CG2-CG 3.88Å; V376-M407 HydrophobicContact CG2-SD 3.45Å; V376-M407 WeakPolarHBondContact CG2-SD 3.4Å; M407-S409 PolarHBondContact O-N 3.28Å
408K73.6Confident68.4Low200 Ų20093.6 Ų93.687%0.8754%0.535SS*.PPolyproline II helixtrans-67.9126170-64-174.3179.3-1760109S410K408-S410 PolarHBondContact O-N 2.92Å
409S56.9Low66.2Low92 Ų9298.3 Ų98.364%0.64357%0.568SS**PPolyproline II helixtrans-67.4126.2172.8440000110.1M407 A411M407-S409 PolarHBondContact O-N 3.28Å; S409-A411 PolarHBondContact O-N 3.05Å
410S43.7Very low64.3Low131 Ų131101.4 Ų101.492%0.91658%0.583SS**SBendtrans-772.3178.2-34.90000113.7K408K408-S410 PolarHBondContact O-N 2.92Å
411A45.3Very low63.2Low79 Ų7998.5 Ų98.565%0.65358%0.576SS**  trans-104.9102.8-179.200000109.5S409 G413S409-A411 PolarHBondContact O-N 3.05Å; A411-G413 PolarHBondContact O-N 3.41Å
412G44.1Very low62.7Low93 Ų9396 Ų9696%0.95957%0.569SS**  trans-64.199.7164.400000109.5
413G37.9Very low62.3Low60 Ų6096.4 Ų96.462%0.61957%0.571SS**  trans-143.2106170.400000108.5A411 G415A411-G413 PolarHBondContact O-N 3.41Å; G413-G415 VanDerWaalsContact C-N 3.34Å; G413-G415 PolarHBondContact O-N 3.47Å
414K47.2Very low62.1Low228 Ų22894.2 Ų94.299%0.99156%0.561SS**  trans-61.1100.5159.4-79.3180173-179.80106.6
415G37.3Very low61.9Low64 Ų6495.4 Ų95.466%0.6657%0.566SS**  trans-166.2106.9-179.500000110.8G413G413-G415 VanDerWaalsContact C-N 3.34Å; G413-G415 PolarHBondContact O-N 3.47Å
416N37.9Very low61.8Low158 Ų15890.2 Ų90.285%0.84554%0.544SS*.  trans59.697179.9-75-1.8000116.6G418N416-G418 PolarHBondContact O-N 3.2Å
417E41.8Very low61.9Low200 Ų20086.3 Ų86.394%0.93553%0.526SS*.  trans-51.7113.8147.9-70-178.3160.500107.4
418G46.7Very low62.3Low34 Ų3481.8 Ų81.835%0.35150%0.504SS..  trans-57.6145.5-178.900000112N372 N416 H420N372-G418 WeakPolarHBondContact ND2-CA 3.17Å; N416-G418 PolarHBondContact O-N 3.2Å; G418-H420 PolarHBondContact O-N 3.07Å
419C48.9Very low63.3Low122 Ų12272.2 Ų72.282%0.82446%0.462SS*.SBendtrans-62.3-9.8-176.7-156.30000114.8
420H57.2Low65.1Low69 Ų6968.1 Ų68.132%0.31943%0.433SS..SBendtrans-116.4143.2-170.9-61.8-63.5000113.1G418 E424 F483 N484G418-H420 PolarHBondContact O-N 3.07Å; H420-E424 HydrophobicContact CB-CB 4.47Å; H420-F483 PolarHBondContact CE1-O 3.44Å; H420-N484 PolarHBondContact CE1-OD1 3.41Å; H420-N484 PolarHBondContact NE2-OD1 3.35Å
421M68.9Low67.7Low80 Ų8061.9 Ų61.939%0.39439%0.39SS..  trans-65.9150.3172.4-62.7-170.6-39.400110.1T423 E424 K540M421-T423 PolarHBondContact O-N 2.91Å; M421-E424 HydrophobicContact CB-CG 4.32Å; M421-E424 HydrophobicContact CE-CG 4.37Å; M421-E424 PolarHBondContact N-OE2 2.84Å; M421-E424 PolarHBondContact O-N 3.39Å; M421-K540 HydrophobicContact CE-CD 4.14Å; M421-K540 VanDerWaalsContact CE-CE 3.49Å; M421-K540 HydrophobicContact SD-CD 4.36Å; M421-K540 PolarHBondContact SD-NZ 2.94Å
422V80.1Confident70.1Confident54 Ų5460.5 Ų60.533%0.32737%0.37SS..THydrogen-bonded Turntrans-48.2-31.1175.2162.30000113.6R373R373-V422 PolarHBondContact NH2-O 3.38Å
423T86.2Confident72.6Confident9 Ų956.7 Ų56.76%0.05533%0.328CS..THydrogen-bonded Turntrans-85.1-5.6-178.157.90000114.4M421 V452 Q459 N462 A463 S466M421-T423 PolarHBondContact O-N 2.91Å; T423-V452 WeakPolarHBondContact O-CG1 3.41Å; T423-Q459 HydrophobicContact CG2-CB 3.95Å; T423-N462 HydrophobicContact CG2-CB 4.05Å; T423-A463 HydrophobicContact CG2-CB 4.24Å; T423-S466 VanDerWaalsContact O-CB 3.28Å; T423-S466 WeakPolarHBondContact O-CB 3.11Å; T423-S466 PolarHBondContact O-OG 3.33Å
424E89.6Confident75.3Confident11 Ų1158.8 Ų58.85%0.05132%0.321CS..THydrogen-bonded Turntrans-106.7-7.3180-63.1175.2145.400112.2H420 M421 L426 F483 W535 K540H420-E424 HydrophobicContact CB-CB 4.47Å; M421-E424 HydrophobicContact CB-CG 4.32Å; M421-E424 HydrophobicContact CE-CG 4.37Å; M421-E424 PolarHBondContact N-OE2 2.84Å; M421-E424 PolarHBondContact O-N 3.39Å; E424-L426 PolarHBondContact O-N 2.91Å; E424-F483 HydrophobicContact CB-CB 4Å; E424-F483 HydrophobicContact CB-CD1 4.49Å; E424-F483 HydrophobicContact CB-CD2 4.07Å; E424-F483 HydrophobicContact CB-CG 3.92Å; E424-F483 HydrophobicContact CG-CD1 4.37Å; E424-F483 HydrophobicContact CG-CG 4.3Å; E424-F483 WeakPolarHBondContact O-CD2 3.48Å; E424-W535 HydrophobicContact CG-CZ2 4.41Å; E424-W535 PolarHBondContact OE1-NE1 3.04Å; E424-K540 WeakPolarHBondContact OE1-CE 3.48Å; E424-K540 IonicContact OE1-NZ 3.89Å; E424-K540 PolarHBondContact OE1-NZ 3.33Å; E424-K540 IonicContact OE2-NZ 2.78Å; E424-K540 PolarHBondContact OE2-NZ 2.7Å
425E89.4Confident77.5Confident26 Ų2648.1 Ų48.112%0.12128%0.275CS..  trans-77.1118.9175.6-167.6177.3-158.300109.9S371 N372 R373 H427S371-E425 WeakPolarHBondContact CB-OE1 3.47Å; S371-E425 PolarHBondContact OG-OE1 3.38Å; N372-E425 PolarHBondContact N-OE1 3.09Å; R373-E425 IonicContact CZ-OE2 3.12Å; R373-E425 PolarHBondContact N-OE1 3.4Å; R373-E425 IonicContact NE-OE2 2.58Å; R373-E425 PolarHBondContact NE-OE2 3.29Å; R373-E425 IonicContact NH2-OE2 3.64Å; R373-E425 PolarHBondContact NH2-OE2 3.33Å; E425-H427 IonicContact OE2-NE2 3.58Å
426L91.8Very high80.2Confident4 Ų448.7 Ų48.72%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-101.2136.7-177.6-63179000110.7E424 P450 V452 Y470 L480 F482 F483E424-L426 PolarHBondContact O-N 2.91Å; L426-P450 HydrophobicContact CB-CB 4.01Å; L426-P450 HydrophobicContact CD1-CB 4.13Å; L426-P450 HydrophobicContact CD2-CB 4.14Å; L426-P450 HydrophobicContact CG-CB 4.32Å; L426-V452 HydrophobicContact CD2-CG2 3.73Å; L426-Y470 HydrophobicContact CD1-CD2 3.52Å; L426-Y470 HydrophobicContact CD1-CE2 3.73Å; L426-Y470 HydrophobicContact CD1-CG 4.42Å; L426-L480 HydrophobicContact CB-CB 4.37Å; L426-L480 HydrophobicContact CB-CD2 3.98Å; L426-F482 HydrophobicContact CD1-CB 4.04Å; L426-F483 HydrophobicContact CD1-CD2 4.12Å; L426-F483 HydrophobicContact CD1-CE2 4.11Å; L426-F483 HydrophobicContact CD2-CE2 4.19Å; L426-F483 HydrophobicContact CG-CD2 4.2Å; L426-F483 HydrophobicContact CG-CE2 4.24Å
427H91.7Very high82.7Confident0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-123.7159.4178.5-61.4-89.5000110.3I363 D364 S371 R373 F375 E425 P450 V451I363-H427 HydrophobicContact CD1-CB 4.38Å; D364-H427 WeakPolarHBondContact OD1-CA 3.5Å; D364-H427 WeakPolarHBondContact OD1-CB 3.48Å; D364-H427 IonicContact OD1-CG 3.4Å; D364-H427 IonicContact OD1-ND1 2.66Å; D364-H427 IonicContact OD2-CE1 2.7Å; D364-H427 IonicContact OD2-CG 3.16Å; D364-H427 IonicContact OD2-ND1 3.28Å; D364-H427 PolarHBondContact OD2-ND1 3.11Å; S371-H427 PolarHBondContact OG-CE1 2.91Å; R373-H427 PolarHBondContact O-CE1 3.45Å; F375-H427 AromaticContact CD2-CE1 3.53Å; F375-H427 AromaticContact CD2-ND1 3.8Å; F375-H427 AromaticContact CD2-NE2 3.95Å; F375-H427 AromaticContact CE2-CE1 3.39Å; F375-H427 WeakPolarHBondContact CE2-CE1 3.41Å; F375-H427 AromaticContact CE2-NE2 3.45Å; F375-H427 WeakPolarHBondContact CE2-NE2 3.41Å; E425-H427 IonicContact OE2-NE2 3.58Å; H427-P450 CarbonylContact O-C 3.33Å; H427-P450 VanDerWaalsContact O-CA 3.3Å; H427-P450 WeakPolarHBondContact O-CA 3.48Å; H427-V451 HydrophobicContact CB-CG2 3.89Å; H427-V451 PolarHBondContact N-O 3.41Å; H427-V451 PolarHBondContact O-N 2.63Å
428S92.3Very high84.9Confident3 Ų338.5 Ų38.52%0.02121%0.211CC..  trans-126.7133.2178-169.30000111.2I363 D364 Q478I363-S428 WeakPolarHBondContact CA-O 3.47Å; D364-S428 PolarHBondContact N-O 3.03Å; D364-S428 PolarHBondContact OD1-N 3.22Å; D364-S428 VanDerWaalsContact OD1-N 3.12Å; S428-Q478 PolarHBondContact OG-OE1 3.31Å
429I94.6Very high86.8Confident0 Ų040.8 Ų40.80%024%0.235CC..EExtended strand (participates in β ladder)trans-97.6117.3173.7-57.6177.1000107.9P322 L334 F340 S362 I363 L377 F431 S447 S448 V451P322-I429 HydrophobicContact CB-CD1 4.22Å; P322-I429 HydrophobicContact CG-CD1 3.91Å; L334-I429 HydrophobicContact CD1-CD1 3.94Å; F340-I429 HydrophobicContact CE2-CD1 3.76Å; F340-I429 HydrophobicContact CZ-CD1 3.66Å; S362-I429 CarbonylContact O-C 3.56Å; S362-I429 WeakPolarHBondContact O-CA 3.31Å; S362-I429 WeakPolarHBondContact O-CG2 3.42Å; I363-I429 HydrophobicContact CD1-CG1 4.29Å; I363-I429 HydrophobicContact CG1-CG1 4.44Å; L377-I429 HydrophobicContact CD1-CG2 4.07Å; I429-F431 HydrophobicContact CB-CE2 4.32Å; I429-F431 HydrophobicContact CB-CZ 4.2Å; I429-F431 HydrophobicContact CG2-CE1 3.8Å; I429-F431 HydrophobicContact CG2-CE2 3.84Å; I429-F431 HydrophobicContact CG2-CZ 3.36Å; I429-F431 WeakPolarHBondContact O-CE2 3.24Å; I429-S447 CarbonylContact O-C 3.45Å; I429-S447 VanDerWaalsContact O-CA 3.29Å; I429-S447 WeakPolarHBondContact O-CA 3.39Å; I429-S448 PolarHBondContact N-OG 3.22Å; I429-S448 PolarHBondContact O-N 2.85Å; I429-V451 HydrophobicContact CG1-CG2 4.48Å
430T95.3Very high88.8Confident6 Ų636.2 Ų36.24%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-102.5136.6-178-54.30000110.4S362 E432 E445 S447S362-T430 PolarHBondContact N-O 2.8Å; S362-T430 PolarHBondContact O-N 2.89Å; S362-T430 PolarHBondContact OG-O 3.45Å; T430-E432 HydrophobicContact CG2-CG 4.31Å; T430-E445 HydrophobicContact CG2-CG 3.53Å; T430-S447 PolarHBondContact OG1-OG 2.94Å
431F96.6Very high90.5Very high0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-119.1128.1179.4-53.6-82.6000109.5F316 V318 V342 L344 V359 K360 A361 F399 I429 E445 T446F316-F431 HydrophobicContact CE1-CB 4.17Å; F316-F431 HydrophobicContact CZ-CB 4.12Å; V318-F431 HydrophobicContact CG2-CD2 4.24Å; V318-F431 HydrophobicContact CG2-CE2 4.08Å; V342-F431 HydrophobicContact CB-CZ 4.33Å; V342-F431 HydrophobicContact CG1-CE1 3.86Å; V342-F431 HydrophobicContact CG1-CZ 3.75Å; V342-F431 HydrophobicContact CG2-CE1 4.49Å; V342-F431 HydrophobicContact CG2-CE2 4.26Å; V342-F431 HydrophobicContact CG2-CZ 3.7Å; L344-F431 HydrophobicContact CD1-CB 3.71Å; L344-F431 HydrophobicContact CD1-CD1 3.52Å; L344-F431 HydrophobicContact CD1-CD2 4.24Å; L344-F431 HydrophobicContact CD1-CE1 4.16Å; L344-F431 HydrophobicContact CD1-CG 3.55Å; L344-F431 HydrophobicContact CD2-CB 4.14Å; L344-F431 HydrophobicContact CD2-CD1 4.41Å; L344-F431 HydrophobicContact CD2-CD2 3.67Å; L344-F431 HydrophobicContact CD2-CE2 4.14Å; L344-F431 HydrophobicContact CD2-CG 3.81Å; L344-F431 HydrophobicContact CG-CD1 4.37Å; L344-F431 HydrophobicContact CG-CD2 4.45Å; L344-F431 HydrophobicContact CG-CG 4.22Å; V359-F431 HydrophobicContact CG1-CB 3.99Å; K360-F431 CarbonylContact O-C 3.11Å; K360-F431 WeakPolarHBondContact O-CA 3.26Å; A361-F431 HydrophobicContact CB-CD1 3.72Å; A361-F431 HydrophobicContact CB-CE1 3.71Å; F399-F431 HydrophobicContact CD2-CE1 4.47Å; F399-F431 HydrophobicContact CE2-CD1 4.35Å; F399-F431 HydrophobicContact CE2-CE1 4.47Å; I429-F431 HydrophobicContact CB-CE2 4.32Å; I429-F431 HydrophobicContact CB-CZ 4.2Å; I429-F431 HydrophobicContact CG2-CE1 3.8Å; I429-F431 HydrophobicContact CG2-CE2 3.84Å; I429-F431 HydrophobicContact CG2-CZ 3.36Å; I429-F431 WeakPolarHBondContact O-CE2 3.24Å; F431-E445 WeakPolarHBondContact O-CA 3.3Å; F431-T446 HydrophobicContact CB-CG2 4.2Å; F431-T446 HydrophobicContact CD2-CG2 4.32Å; F431-T446 PolarHBondContact N-O 3.41Å; F431-T446 PolarHBondContact O-N 3.3Å
432E96.5Very high91.8Very high50 Ų5033.3 Ų33.323%0.23419%0.194CC..EExtended strand (participates in β ladder)trans-124.8142.1-175.3-59.5179.279.800110.3V359 K360 K365 T430 L444 E445V359-E432 CarbonylContact C-O 3.42Å; V359-E432 WeakPolarHBondContact CA-O 3.31Å; K360-E432 PolarHBondContact N-O 3.49Å; K360-E432 PolarHBondContact O-N 3.38Å; K365-E432 WeakPolarHBondContact CD-OE2 3.42Å; K365-E432 IonicContact NZ-OE1 3.38Å; K365-E432 PolarHBondContact NZ-OE1 3.08Å; K365-E432 IonicContact NZ-OE2 2.74Å; K365-E432 PolarHBondContact NZ-OE2 3Å; K365-E432 VanDerWaalsContact NZ-OE2 3.12Å; T430-E432 HydrophobicContact CG2-CG 4.31Å; E432-L444 CarbonylContact C-O 3.06Å; E432-L444 WeakPolarHBondContact CA-O 3.31Å; E432-E445 HydrophobicContact CG-CG 4.25Å
433T96.1Very high92.6Very high12 Ų1235.1 Ų35.17%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-153.4159.4170.6-171.60000110.3F316 V357 K358 V359 M385 L444F316-T433 HydrophobicContact CE1-CG2 4.18Å; F316-T433 HydrophobicContact CZ-CG2 4.16Å; V357-T433 HydrophobicContact CG1-CG2 3.8Å; V357-T433 WeakPolarHBondContact CG1-OG1 3.3Å; K358-T433 PolarHBondContact O-OG1 3.31Å; V359-T433 HydrophobicContact CG2-CG2 4.35Å; M385-T433 HydrophobicContact CE-CG2 4.37Å; T433-L444 HydrophobicContact CG2-CB 3.74Å; T433-L444 HydrophobicContact CG2-CD1 4.07Å; T433-L444 HydrophobicContact CG2-CG 4.34Å; T433-L444 PolarHBondContact N-O 3.22Å; T433-L444 PolarHBondContact O-N 3.22Å
434Q95.4Very high93.1Very high104 Ų10434.9 Ų34.949%0.48620%0.2SC..EExtended strand (participates in β ladder)trans-119.4137.5171.2-178.2172.875.600108.8T441 I442 D443Q434-T441 HydrophobicContact CG-CG2 3.71Å; Q434-I442 WeakPolarHBondContact CA-O 3.41Å; Q434-D443 VanDerWaalsContact CG-OD1 3.32Å; Q434-D443 WeakPolarHBondContact CG-OD1 3.24Å; Q434-D443 PolarHBondContact NE2-OD1 3.29Å
435I94.1Very high93.3Very high4 Ų438.6 Ų38.62%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-115.2127.8175.9-59.1-170.1000108.5F312 L346 L353 V357 L437 T441 I442 L444F312-I435 HydrophobicContact CD1-CD1 4.04Å; F312-I435 HydrophobicContact CE1-CD1 4.12Å; L346-I435 HydrophobicContact CD2-CD1 3.87Å; L353-I435 HydrophobicContact CD2-CG2 3.62Å; V357-I435 HydrophobicContact CG1-CD1 4.25Å; V357-I435 HydrophobicContact CG1-CG1 3.95Å; V357-I435 HydrophobicContact CG2-CD1 4.06Å; V357-I435 HydrophobicContact CG2-CG1 4.03Å; I435-L437 HydrophobicContact CG2-CB 4.14Å; I435-T441 CarbonylContact O-C 3.53Å; I435-T441 WeakPolarHBondContact O-CA 3.36Å; I435-I442 PolarHBondContact N-O 3.23Å; I435-I442 PolarHBondContact O-N 2.98Å; I435-L444 HydrophobicContact CD1-CD1 3.41Å; I435-L444 VanDerWaalsContact CD1-CD1 3.41Å; I435-L444 HydrophobicContact CG1-CD1 3.89Å
436C92.1Very high93.6Very high77 Ų7738.3 Ų38.352%0.5222%0.217SC..EExtended strand (participates in β ladder)trans-113.3106.7172.8-60.30000108.8L440C436-L440 CarbonylContact C-O 3.54Å; C436-L440 VanDerWaalsContact CA-O 3.29Å; C436-L440 WeakPolarHBondContact CA-O 3.44Å
437L90.9Very high93.8Very high14 Ų1439.4 Ų39.47%0.07323%0.226CC..EExtended strand (participates in β ladder)trans-143.1131-175-17371.4000110.6F270 F312 L350 E352 L353 I435 G439 L440F270-L437 HydrophobicContact CE2-CD2 3.92Å; F270-L437 HydrophobicContact CZ-CD2 3.74Å; F312-L437 HydrophobicContact CZ-CD2 4.31Å; L350-L437 HydrophobicContact CD1-CD2 3.79Å; E352-L437 HydrophobicContact CB-CD1 4.09Å; L353-L437 HydrophobicContact CD2-CD1 4.3Å; L353-L437 HydrophobicContact CD2-CD2 4.32Å; I435-L437 HydrophobicContact CG2-CB 4.14Å; L437-G439 PolarHBondContact O-N 3.14Å; L437-G439 VanDerWaalsContact O-N 3.15Å; L437-L440 PolarHBondContact N-O 3.09Å; L437-L440 WeakPolarHBondContact O-CB 3.43Å; L437-L440 PolarHBondContact O-N 3.46Å
438Y87.9Confident94Very high129 Ų12939.5 Ų39.551%0.50623%0.226SC..THydrogen-bonded Turntrans48.940.4178.2-57.4-57000114.3F270 E352 L440F270-Y438 AromaticContact CD1-CD2 3.7Å; F270-Y438 HydrophobicContact CD1-CD2 3.7Å; F270-Y438 HydrophobicContact CD1-CE2 4.41Å; F270-Y438 AromaticContact CE1-CD2 3.74Å; F270-Y438 HydrophobicContact CE1-CD2 3.74Å; F270-Y438 HydrophobicContact CG-CD2 4.18Å; F270-Y438 HydrophobicContact CG-CE2 4.45Å; F270-Y438 HydrophobicContact CZ-CD2 4.23Å; E352-Y438 PolarHBondContact OE1-OH 3.38Å; Y438-L440 PolarHBondContact O-N 3.14Å
439G86.3Confident94.1Very high82 Ų8239.9 Ų39.985%0.84523%0.228SC*.THydrogen-bonded Turntrans77.90.2-17900000115.2L437L437-G439 PolarHBondContact O-N 3.14Å; L437-G439 VanDerWaalsContact O-N 3.15Å
440L90.9Very high94.1Very high27 Ų2739.9 Ų39.914%0.14123%0.228CC..EExtended strand (participates in β ladder)trans-93.7140172.6-63.1177.4000110.9F270 T305 I308 C436 L437 Y438 I442F270-L440 HydrophobicContact CE1-CD1 4.19Å; T305-L440 HydrophobicContact CG2-CD2 3.86Å; I308-L440 HydrophobicContact CD1-CD1 4.46Å; I308-L440 HydrophobicContact CG2-CD1 4Å; C436-L440 CarbonylContact C-O 3.54Å; C436-L440 VanDerWaalsContact CA-O 3.29Å; C436-L440 WeakPolarHBondContact CA-O 3.44Å; L437-L440 PolarHBondContact N-O 3.09Å; L437-L440 WeakPolarHBondContact O-CB 3.43Å; L437-L440 PolarHBondContact O-N 3.46Å; Y438-L440 PolarHBondContact O-N 3.14Å; L440-I442 HydrophobicContact CB-CG1 4.36Å
441T94.4Very high94.1Very high84 Ų8439.6 Ų39.652%0.51523%0.226SC..EExtended strand (participates in β ladder)trans-112.7118.8168.8-55.10000108.1Q434 I435Q434-T441 HydrophobicContact CG-CG2 3.71Å; I435-T441 CarbonylContact O-C 3.53Å; I435-T441 WeakPolarHBondContact O-CA 3.36Å
442I95.6Very high94Very high4 Ų439.6 Ų39.62%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-123.4116.9-174.5-53.7176.3000108.6I308 Y309 F312 Q434 I435 L440 L444I308-I442 HydrophobicContact CG2-CD1 4.22Å; Y309-I442 HydrophobicContact CD2-CB 4.44Å; Y309-I442 HydrophobicContact CD2-CG1 4.17Å; Y309-I442 HydrophobicContact CD2-CG2 3.91Å; Y309-I442 HydrophobicContact CE2-CB 4.39Å; Y309-I442 HydrophobicContact CE2-CG2 3.85Å; F312-I442 HydrophobicContact CB-CD1 4.12Å; F312-I442 HydrophobicContact CB-CG2 4.06Å; F312-I442 HydrophobicContact CD1-CD1 4.41Å; F312-I442 HydrophobicContact CD2-CD1 3.9Å; F312-I442 HydrophobicContact CE2-CD1 4.43Å; F312-I442 HydrophobicContact CG-CD1 3.88Å; Q434-I442 WeakPolarHBondContact CA-O 3.41Å; I435-I442 PolarHBondContact N-O 3.23Å; I435-I442 PolarHBondContact O-N 2.98Å; L440-I442 HydrophobicContact CB-CG1 4.36Å; I442-L444 HydrophobicContact CG2-CD2 3.71Å; I442-L444 HydrophobicContact CG2-CG 4.28Å
443D95.9Very high93.9Very high91 Ų9137.2 Ų37.249%0.48722%0.215SC..EExtended strand (participates in β ladder)trans-87.8127.4173.6-62.8-38.7000109.9Q434Q434-D443 VanDerWaalsContact CG-OD1 3.32Å; Q434-D443 WeakPolarHBondContact CG-OD1 3.24Å; Q434-D443 PolarHBondContact NE2-OD1 3.29Å
444L96.6Very high93.8Very high4 Ų436.7 Ų36.72%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-118.4131.1-178.8-56.7179.1000109.8F312 F316 L346 E432 T433 I435 I442F312-L444 HydrophobicContact CB-CD2 4.17Å; F316-L444 HydrophobicContact CB-CB 4.35Å; F316-L444 HydrophobicContact CB-CD1 4.21Å; F316-L444 HydrophobicContact CD1-CB 3.88Å; F316-L444 HydrophobicContact CG-CB 4.31Å; L346-L444 HydrophobicContact CD1-CD1 4.01Å; E432-L444 CarbonylContact C-O 3.06Å; E432-L444 WeakPolarHBondContact CA-O 3.31Å; T433-L444 HydrophobicContact CG2-CB 3.74Å; T433-L444 HydrophobicContact CG2-CD1 4.07Å; T433-L444 HydrophobicContact CG2-CG 4.34Å; T433-L444 PolarHBondContact N-O 3.22Å; T433-L444 PolarHBondContact O-N 3.22Å; I435-L444 HydrophobicContact CD1-CD1 3.41Å; I435-L444 VanDerWaalsContact CD1-CD1 3.41Å; I435-L444 HydrophobicContact CG1-CD1 3.89Å; I442-L444 HydrophobicContact CG2-CD2 3.71Å; I442-L444 HydrophobicContact CG2-CG 4.28Å
445E95.6Very high93.7Very high89 Ų8934.4 Ų34.442%0.41621%0.207SC..EExtended strand (participates in β ladder)trans-133.1135174.5-172.317896.300109K365 T430 F431 E432K365-E445 IonicContact NZ-OE2 3.42Å; T430-E445 HydrophobicContact CG2-CG 3.53Å; F431-E445 WeakPolarHBondContact O-CA 3.3Å; E432-E445 HydrophobicContact CG-CG 4.25Å
446T95.5Very high93.6Very high20 Ų2038.6 Ų38.612%0.12323%0.229CC..EExtended strand (participates in β ladder)trans-145.3155.6172.8-156.70000109.3F316 V318 L344 F431F316-T446 HydrophobicContact CD1-CG2 3.51Å; F316-T446 HydrophobicContact CE1-CG2 3.48Å; F316-T446 VanDerWaalsContact CE1-CG2 3.48Å; F316-T446 HydrophobicContact CG-CG2 4.1Å; F316-T446 HydrophobicContact CZ-CG2 4.03Å; F316-T446 VanDerWaalsContact O-CB 3.31Å; F316-T446 WeakPolarHBondContact O-CB 3.33Å; F316-T446 PolarHBondContact O-OG1 2.94Å; V318-T446 HydrophobicContact CG2-CG2 4.25Å; L344-T446 HydrophobicContact CD2-CG2 3.75Å; F431-T446 HydrophobicContact CB-CG2 4.2Å; F431-T446 HydrophobicContact CD2-CG2 4.32Å; F431-T446 PolarHBondContact N-O 3.41Å; F431-T446 PolarHBondContact O-N 3.3Å
447S95Very high93.6Very high28 Ų2837.8 Ų37.820%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-129.3152-176.6-690000111.2I429 T430I429-S447 CarbonylContact O-C 3.45Å; I429-S447 VanDerWaalsContact O-CA 3.29Å; I429-S447 WeakPolarHBondContact O-CA 3.39Å; T430-S447 PolarHBondContact OG1-OG 2.94Å
448S95.4Very high93.6Very high1 Ų141.3 Ų41.31%0.00725%0.248CC..PPolyproline II helixtrans-65.4165.9169.569.90000111.2I429 Q478I429-S448 PolarHBondContact N-OG 3.22Å; I429-S448 PolarHBondContact O-N 2.85Å; S448-Q478 PolarHBondContact O-NE2 3.43Å
449L95.5Very high93.9Very high12 Ų1237.3 Ų37.36%0.06323%0.234CC..SBendtrans-60.5158.5158.3-69.9171.5000109.6Q243 Q321 L332 V451Q243-L449 HydrophobicContact CB-CD1 4.13Å; Q243-L449 HydrophobicContact CG-CD1 3.86Å; Q243-L449 HydrophobicContact CG-CD2 4.2Å; Q321-L449 HydrophobicContact CG-CD1 4.19Å; L332-L449 HydrophobicContact CD1-CB 3.83Å; L332-L449 HydrophobicContact CD1-CD1 4.02Å; L332-L449 HydrophobicContact CD2-CB 3.84Å; L449-V451 PolarHBondContact O-N 3.31Å
450P94.6Very high94.3Very high0 Ų034.3 Ų34.30%020%0.198CC..PPolyproline II helixtrans-62.4137.3-178.4-25.939.3000111.6L426 H427 Y470 S477 L480L426-P450 HydrophobicContact CB-CB 4.01Å; L426-P450 HydrophobicContact CD1-CB 4.13Å; L426-P450 HydrophobicContact CD2-CB 4.14Å; L426-P450 HydrophobicContact CG-CB 4.32Å; H427-P450 CarbonylContact O-C 3.33Å; H427-P450 VanDerWaalsContact O-CA 3.3Å; H427-P450 WeakPolarHBondContact O-CA 3.48Å; P450-Y470 HydrophobicContact CG-CD1 4.42Å; P450-Y470 HydrophobicContact CG-CE1 3.69Å; P450-Y470 HydrophobicContact CG-CE2 4.06Å; P450-Y470 VanDerWaalsContact CG-CZ 3.49Å; P450-S477 VanDerWaalsContact CD-O 3.32Å; P450-S477 WeakPolarHBondContact CD-O 3.37Å; P450-L480 HydrophobicContact CB-CD2 3.84Å; P450-L480 HydrophobicContact CG-CD2 3.98Å
451V95.3Very high94.4Very high0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-112.2147.2-178-57.40000110.9P322 L332 L334 H427 I429 L449 M453P322-V451 HydrophobicContact CB-CG1 4.18Å; P322-V451 HydrophobicContact CG-CG1 4.12Å; L332-V451 HydrophobicContact CB-CG1 4.37Å; L332-V451 HydrophobicContact CD2-CG1 3.99Å; L332-V451 CarbonylContact O-C 3.55Å; L332-V451 WeakPolarHBondContact O-CA 3.29Å; L332-V451 VanDerWaalsContact O-CB 3.3Å; L332-V451 WeakPolarHBondContact O-CB 2.72Å; L334-V451 HydrophobicContact CD1-CB 4.25Å; L334-V451 HydrophobicContact CD1-CG1 4.32Å; L334-V451 HydrophobicContact CD1-CG2 4.17Å; L334-V451 HydrophobicContact CG-CB 4.47Å; H427-V451 HydrophobicContact CB-CG2 3.89Å; H427-V451 PolarHBondContact N-O 3.41Å; H427-V451 PolarHBondContact O-N 2.63Å; I429-V451 HydrophobicContact CG1-CG2 4.48Å; L449-V451 PolarHBondContact O-N 3.31Å; V451-M453 HydrophobicContact CG2-CE 3.9Å
452V95.4Very high94.4Very high0 Ų033 Ų330%019%0.19CC..EExtended strand (participates in β ladder)trans-102.7128.6173.8175.70000109.5L332 L334 T423 L426 I454 A463 I467L332-V452 PolarHBondContact O-N 3.45Å; L334-V452 PolarHBondContact N-O 3.46Å; T423-V452 WeakPolarHBondContact O-CG1 3.41Å; L426-V452 HydrophobicContact CD2-CG2 3.73Å; V452-I454 HydrophobicContact CG1-CG2 4.25Å; V452-A463 HydrophobicContact CB-CB 4.18Å; V452-A463 HydrophobicContact CG1-CB 3.56Å; V452-I467 HydrophobicContact CB-CD1 4.4Å; V452-I467 HydrophobicContact CG2-CD1 3.7Å; V452-I467 HydrophobicContact CG2-CG1 4.13Å
453M93.7Very high94.4Very high0 Ų032.8 Ų32.80%019%0.189CC..EExtended strand (participates in β ladder)trans-97.3114.7179.8-67.7-63.8-176.700112L334 I363 R373 F375 P404 V451L334-M453 HydrophobicContact CB-CE 4.33Å; L334-M453 HydrophobicContact CB-SD 3.69Å; L334-M453 HydrophobicContact CD1-CE 3.89Å; L334-M453 HydrophobicContact CD1-SD 4.35Å; L334-M453 WeakPolarHBondContact O-CA 3.44Å; I363-M453 HydrophobicContact CD1-CE 3.25Å; R373-M453 PolarHBondContact NH1-O 2.95Å; R373-M453 PolarHBondContact NH2-O 3.49Å; F375-M453 HydrophobicContact CD1-CG 4.4Å; F375-M453 HydrophobicContact CD2-CB 4.44Å; F375-M453 HydrophobicContact CD2-CG 4Å; F375-M453 HydrophobicContact CE1-CB 4.02Å; F375-M453 HydrophobicContact CE1-CG 4.26Å; F375-M453 HydrophobicContact CE2-CB 3.8Å; F375-M453 HydrophobicContact CE2-CG 3.85Å; F375-M453 HydrophobicContact CG-CG 4.29Å; F375-M453 HydrophobicContact CZ-CB 3.56Å; F375-M453 HydrophobicContact CZ-CG 3.99Å; P404-M453 HydrophobicContact CB-CE 3.74Å; P404-M453 HydrophobicContact CB-SD 3.82Å; P404-M453 HydrophobicContact CG-CE 4.29Å; P404-M453 HydrophobicContact CG-SD 3.96Å; V451-M453 HydrophobicContact CG2-CE 3.9Å
454I94.7Very high94.4Very high1 Ų128.6 Ų28.61%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-108151.717965.7173.6000112.2V333 L334 K335 T336 V452 Q459 L460 A463V333-I454 HydrophobicContact CG1-CD1 3.88Å; V333-I454 HydrophobicContact CG1-CG1 4.19Å; V333-I454 HydrophobicContact CG1-CG2 3.94Å; L334-I454 WeakPolarHBondContact O-CG1 3.33Å; L334-I454 PolarHBondContact O-N 3.11Å; K335-I454 CarbonylContact C-O 3.37Å; K335-I454 VanDerWaalsContact CA-O 3.32Å; K335-I454 WeakPolarHBondContact CA-O 3.42Å; K335-I454 HydrophobicContact CB-CD1 4.21Å; K335-I454 HydrophobicContact CB-CG1 3.81Å; K335-I454 HydrophobicContact CG-CG1 4.19Å; T336-I454 PolarHBondContact N-O 3.48Å; V452-I454 HydrophobicContact CG1-CG2 4.25Å; I454-Q459 HydrophobicContact CB-CB 4.12Å; I454-Q459 HydrophobicContact CG2-CB 3.9Å; I454-L460 HydrophobicContact CD1-CB 4.14Å; I454-L460 HydrophobicContact CD1-CD1 3.89Å; I454-A463 HydrophobicContact CG2-CB 3.64Å
455S92.3Very high94.4Very high56 Ų5628.4 Ų28.439%0.39217%0.165SC..SBendtrans-100.6-30.4175-56.20000111.8K335K335-S455 WeakPolarHBondContact CE-O 3.38Å
456N92.2Very high94.4Very high91 Ų9124.1 Ų24.149%0.48715%0.145SC..SBendtrans-130.3147-179.7-164-44.1000111.4S458 Q459N456-S458 PolarHBondContact O-N 3.34Å; N456-S458 PolarHBondContact OD1-N 2.77Å; N456-S458 PolarHBondContact OD1-OG 2.49Å; N456-Q459 WeakPolarHBondContact O-CB 3.43Å; N456-Q459 PolarHBondContact O-N 2.97Å
457V91.3Very high94.4Very high60 Ų6023.2 Ų23.236%0.36414%0.14SC..G310 helixtrans-61.2-25.9175.9-176.20000111.8K335 Q459 L460K335-V457 HydrophobicContact CD-CG2 4.11Å; V457-Q459 PolarHBondContact O-N 3.49Å; V457-Q459 VanDerWaalsContact O-N 3.12Å; V457-L460 WeakPolarHBondContact O-CB 3.14Å; V457-L460 PolarHBondContact O-N 2.95Å
458S91.8Very high94.5Very high88 Ų8821.9 Ų21.962%0.61513%0.13SC*.G310 helixtrans-59.6-21.2173.1610000113.9N456N456-S458 PolarHBondContact O-N 3.34Å; N456-S458 PolarHBondContact OD1-N 2.77Å; N456-S458 PolarHBondContact OD1-OG 2.49Å
459Q93.9Very high94.5Very high45 Ų4521.8 Ų21.821%0.2113%0.13CC..G310 helixtrans-86.8-13.7177.7-58.3172.9-62.300112.6T423 I454 N456 V457 N462 A463T423-Q459 HydrophobicContact CG2-CB 3.95Å; I454-Q459 HydrophobicContact CB-CB 4.12Å; I454-Q459 HydrophobicContact CG2-CB 3.9Å; N456-Q459 WeakPolarHBondContact O-CB 3.43Å; N456-Q459 PolarHBondContact O-N 2.97Å; V457-Q459 PolarHBondContact O-N 3.49Å; V457-Q459 VanDerWaalsContact O-N 3.12Å; Q459-N462 PolarHBondContact O-N 3.37Å; Q459-A463 WeakPolarHBondContact O-CB 3.28Å; Q459-A463 PolarHBondContact O-N 3.28Å
460L94.2Very high94.4Very high20 Ų2021.2 Ų21.211%0.10513%0.127CC..Hα-helixtrans-54.3-43.7-176.2-17279000112.7M324 R330 V333 I454 V457 N462 W464M324-L460 HydrophobicContact CE-CD1 4.4Å; R330-L460 HydrophobicContact CB-CD1 4.37Å; R330-L460 HydrophobicContact CG-CD2 4.37Å; V333-L460 HydrophobicContact CB-CD1 4.11Å; V333-L460 HydrophobicContact CG1-CD1 3.72Å; I454-L460 HydrophobicContact CD1-CB 4.14Å; I454-L460 HydrophobicContact CD1-CD1 3.89Å; V457-L460 WeakPolarHBondContact O-CB 3.14Å; V457-L460 PolarHBondContact O-N 2.95Å; L460-N462 PolarHBondContact O-N 3.47Å; L460-W464 VanDerWaalsContact O-CB 3.32Å; L460-W464 WeakPolarHBondContact O-CB 3.26Å; L460-W464 PolarHBondContact O-N 3.14Å
461P93.4Very high94.4Very high31 Ų3121.2 Ų21.220%0.20113%0.127CC..Hα-helixtrans-56.8-49.7176.2-29.639.6000113.3W464 A465 W551 E555P461-W464 WeakPolarHBondContact O-CB 3.42Å; P461-W464 PolarHBondContact O-N 2.94Å; P461-A465 PolarHBondContact O-N 3.18Å; P461-A465 VanDerWaalsContact O-N 3.1Å; P461-W551 PolarHBondContact O-NE1 2.93Å; P461-E555 HydrophobicContact CB-CG 3.94Å; P461-E555 HydrophobicContact CG-CG 4.28Å
462N94.4Very high94.2Very high52 Ų5221.5 Ų21.528%0.27813%0.128SC..Hα-helixtrans-72.7-37.8-176.2-68.8-19.3000111.9T423 Q459 L460 W464 A465 S466T423-N462 HydrophobicContact CG2-CB 4.05Å; Q459-N462 PolarHBondContact O-N 3.37Å; L460-N462 PolarHBondContact O-N 3.47Å; N462-W464 VanDerWaalsContact C-N 3.27Å; N462-W464 PolarHBondContact O-N 3.08Å; N462-A465 WeakPolarHBondContact O-CB 3.41Å; N462-A465 PolarHBondContact O-N 3.18Å; N462-S466 PolarHBondContact O-N 2.9Å; N462-S466 PolarHBondContact O-OG 3.21Å
463A95.9Very high93.8Very high0 Ų023.1 Ų23.10%014%0.14CC..Hα-helixtrans-60.9-39171.900000111.5V333 T423 V452 I454 Q459 S466 I467V333-A463 HydrophobicContact CG1-CB 3.61Å; V333-A463 HydrophobicContact CG2-CB 4.05Å; T423-A463 HydrophobicContact CG2-CB 4.24Å; V452-A463 HydrophobicContact CB-CB 4.18Å; V452-A463 HydrophobicContact CG1-CB 3.56Å; I454-A463 HydrophobicContact CG2-CB 3.64Å; Q459-A463 WeakPolarHBondContact O-CB 3.28Å; Q459-A463 PolarHBondContact O-N 3.28Å; A463-S466 WeakPolarHBondContact O-CB 3.44Å; A463-S466 PolarHBondContact O-N 2.9Å; A463-I467 WeakPolarHBondContact O-CG1 3.24Å; A463-I467 PolarHBondContact O-N 3.34Å
464W96.6Very high93.5Very high2 Ų224.4 Ų24.41%0.00815%0.148CC..Hα-helixtrans-65.1-38.9175.9-174-129.1000112.7C246 I247 R330 P331 V333 L460 P461 N462 S466 I467 I468 W551C246-W464 WeakPolarHBondContact O-CH2 3.31Å; I247-W464 HydrophobicContact CB-CH2 4.47Å; I247-W464 HydrophobicContact CG2-CH2 4.18Å; R330-W464 HydrophobicContact CB-CE3 4.31Å; R330-W464 VanDerWaalsContact CD-CD1 3.45Å; P331-W464 HydrophobicContact CG-CH2 4.2Å; P331-W464 HydrophobicContact CG-CZ3 4.23Å; P331-W464 WeakPolarHBondContact O-CZ3 3.48Å; V333-W464 HydrophobicContact CG2-CE3 4.17Å; L460-W464 VanDerWaalsContact O-CB 3.32Å; L460-W464 WeakPolarHBondContact O-CB 3.26Å; L460-W464 PolarHBondContact O-N 3.14Å; P461-W464 WeakPolarHBondContact O-CB 3.42Å; P461-W464 PolarHBondContact O-N 2.94Å; N462-W464 VanDerWaalsContact C-N 3.27Å; N462-W464 PolarHBondContact O-N 3.08Å; W464-S466 VanDerWaalsContact C-N 3.29Å; W464-S466 PolarHBondContact O-N 3.06Å; W464-I467 HydrophobicContact CE3-CB 3.9Å; W464-I467 HydrophobicContact CE3-CG1 4.48Å; W464-I467 HydrophobicContact CE3-CG2 3.9Å; W464-I467 HydrophobicContact CH2-CG2 4.34Å; W464-I467 HydrophobicContact CZ3-CB 4.07Å; W464-I467 HydrophobicContact CZ3-CG2 3.52Å; W464-I467 PolarHBondContact O-N 3.46Å; W464-I468 HydrophobicContact CD2-CD1 4.36Å; W464-I468 HydrophobicContact CD2-CG1 4.31Å; W464-I468 HydrophobicContact CG-CD1 4.21Å; W464-I468 HydrophobicContact CZ2-CG1 4.19Å; W464-I468 WeakPolarHBondContact O-CG1 3.38Å; W464-I468 PolarHBondContact O-N 3.5Å; W464-W551 HydrophobicContact CB-CZ2 4.48Å; W464-W551 AromaticContact CD1-CH2 3.74Å; W464-W551 AromaticContact CD1-CZ2 3.57Å; W464-W551 HydrophobicContact CG-CZ2 4.35Å
465A95.8Very high92.9Very high0 Ų029.9 Ų29.90%018%0.177CC..Hα-helixtrans-59.1-40.8172.400000112.4P461 N462 I468 W469 W535 F538 C539 W551P461-A465 PolarHBondContact O-N 3.18Å; P461-A465 VanDerWaalsContact O-N 3.1Å; N462-A465 WeakPolarHBondContact O-CB 3.41Å; N462-A465 PolarHBondContact O-N 3.18Å; A465-I468 PolarHBondContact O-N 3Å; A465-W469 WeakPolarHBondContact O-CB 3.48Å; A465-W469 PolarHBondContact O-N 2.96Å; A465-W535 HydrophobicContact CB-CH2 3.75Å; A465-W535 HydrophobicContact CB-CZ3 4.04Å; A465-W535 WeakPolarHBondContact O-CZ3 3.32Å; A465-F538 HydrophobicContact CB-CE1 4.04Å; A465-C539 HydrophobicContact CB-CB 4.42Å; A465-W551 HydrophobicContact CB-CD2 4.01Å; A465-W551 HydrophobicContact CB-CG 3.81Å
466S95.5Very high92.5Very high0 Ų031 Ų310%018%0.179CC..Hα-helixtrans-63.8-42.6176.6-65.70000111.7T423 N462 A463 W464 W469 Y470 F483T423-S466 VanDerWaalsContact O-CB 3.28Å; T423-S466 WeakPolarHBondContact O-CB 3.11Å; T423-S466 PolarHBondContact O-OG 3.33Å; N462-S466 PolarHBondContact O-N 2.9Å; N462-S466 PolarHBondContact O-OG 3.21Å; A463-S466 WeakPolarHBondContact O-CB 3.44Å; A463-S466 PolarHBondContact O-N 2.9Å; W464-S466 VanDerWaalsContact C-N 3.29Å; W464-S466 PolarHBondContact O-N 3.06Å; S466-W469 PolarHBondContact O-N 2.88Å; S466-Y470 WeakPolarHBondContact O-CB 3.47Å; S466-Y470 PolarHBondContact O-N 3.11Å; S466-F483 WeakPolarHBondContact O-CZ 3.31Å
467I96.3Very high91.9Very high0 Ų029.3 Ų29.30%017%0.174CC..Hα-helixtrans-62.7-43.5174.2-64.9-56.4000111.6I247 L332 V333 V452 A463 W464 N471I247-I467 HydrophobicContact CG2-CG2 4.31Å; L332-I467 HydrophobicContact CB-CD1 3.69Å; L332-I467 HydrophobicContact CB-CG1 4.1Å; L332-I467 HydrophobicContact CB-CG2 4.05Å; L332-I467 HydrophobicContact CD1-CG2 3.91Å; V333-I467 HydrophobicContact CG2-CG1 3.73Å; V452-I467 HydrophobicContact CB-CD1 4.4Å; V452-I467 HydrophobicContact CG2-CD1 3.7Å; V452-I467 HydrophobicContact CG2-CG1 4.13Å; A463-I467 WeakPolarHBondContact O-CG1 3.24Å; A463-I467 PolarHBondContact O-N 3.34Å; W464-I467 HydrophobicContact CE3-CB 3.9Å; W464-I467 HydrophobicContact CE3-CG1 4.48Å; W464-I467 HydrophobicContact CE3-CG2 3.9Å; W464-I467 HydrophobicContact CH2-CG2 4.34Å; W464-I467 HydrophobicContact CZ3-CB 4.07Å; W464-I467 HydrophobicContact CZ3-CG2 3.52Å; W464-I467 PolarHBondContact O-N 3.46Å; I467-N471 WeakPolarHBondContact CG2-ND2 3.49Å; I467-N471 WeakPolarHBondContact O-CB 3.22Å; I467-N471 PolarHBondContact O-N 2.98Å; I467-N471 VanDerWaalsContact O-N 3.09Å; I467-N471 PolarHBondContact O-ND2 3.49Å
468I95.6Very high91.5Very high0 Ų029.9 Ų29.90%017%0.173CC..Hα-helixtrans-58.1-52.9175.1-71.6164.5000110.1I247 W464 A465 Y470 N471 V472 V497 M498 Q501 W551I247-I468 HydrophobicContact CG2-CG1 4.46Å; W464-I468 HydrophobicContact CD2-CD1 4.36Å; W464-I468 HydrophobicContact CD2-CG1 4.31Å; W464-I468 HydrophobicContact CG-CD1 4.21Å; W464-I468 HydrophobicContact CZ2-CG1 4.19Å; W464-I468 WeakPolarHBondContact O-CG1 3.38Å; W464-I468 PolarHBondContact O-N 3.5Å; A465-I468 PolarHBondContact O-N 3Å; I468-Y470 PolarHBondContact O-N 3.21Å; I468-N471 PolarHBondContact O-N 3.11Å; I468-V472 HydrophobicContact CG2-CG2 4.23Å; I468-V472 WeakPolarHBondContact O-CB 3.43Å; I468-V472 VanDerWaalsContact O-CG2 3.27Å; I468-V472 WeakPolarHBondContact O-CG2 3.43Å; I468-V472 PolarHBondContact O-N 3.06Å; I468-V497 HydrophobicContact CG2-CG1 3.76Å; I468-M498 HydrophobicContact CD1-CE 4.47Å; I468-M498 HydrophobicContact CG2-CE 4.16Å; I468-Q501 HydrophobicContact CD1-CG 4.15Å; I468-W551 HydrophobicContact CD1-CH2 3.45Å; I468-W551 VanDerWaalsContact CD1-CH2 3.45Å; I468-W551 HydrophobicContact CD1-CZ2 4.09Å; I468-W551 HydrophobicContact CD1-CZ3 3.86Å
469W95.3Very high91.3Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-63.2-42.1-175-158.4-91.9000112.4A465 S466 S473 F482 F483 P487 A489 L494 L533 T534 W535 F538A465-W469 WeakPolarHBondContact O-CB 3.48Å; A465-W469 PolarHBondContact O-N 2.96Å; S466-W469 PolarHBondContact O-N 2.88Å; W469-S473 VanDerWaalsContact O-CB 3.29Å; W469-S473 WeakPolarHBondContact O-CB 3.47Å; W469-S473 PolarHBondContact O-N 3.24Å; W469-S473 VanDerWaalsContact O-N 3.1Å; W469-S473 PolarHBondContact O-OG 3.03Å; W469-S473 VanDerWaalsContact O-OG 3.07Å; W469-F482 AromaticContact CD1-CE1 3.73Å; W469-F482 AromaticContact CD1-CZ 3.79Å; W469-F483 HydrophobicContact CB-CZ 4.5Å; W469-P487 PolarHBondContact NE1-O 2.93Å; W469-P487 VanDerWaalsContact NE1-O 3.14Å; W469-A489 HydrophobicContact CH2-CB 3.79Å; W469-A489 HydrophobicContact CZ2-CB 3.76Å; W469-A489 HydrophobicContact CZ3-CB 4.29Å; W469-L494 HydrophobicContact CE3-CD1 4.29Å; W469-L494 HydrophobicContact CH2-CD2 4.36Å; W469-L494 HydrophobicContact CZ3-CD1 4.08Å; W469-L494 HydrophobicContact CZ3-CD2 3.74Å; W469-L533 HydrophobicContact CH2-CB 4.25Å; W469-L533 HydrophobicContact CH2-CD2 4.22Å; W469-L533 HydrophobicContact CH2-CG 4.29Å; W469-L533 VanDerWaalsContact CH2-O 3.3Å; W469-L533 WeakPolarHBondContact CH2-O 3.42Å; W469-L533 VanDerWaalsContact CZ2-O 3.26Å; W469-L533 WeakPolarHBondContact CZ2-O 3.19Å; W469-L533 HydrophobicContact CZ3-CD2 4.34Å; W469-T534 VanDerWaalsContact CZ2-C 3.48Å; W469-W535 HydrophobicContact CB-CE3 3.65Å; W469-W535 HydrophobicContact CB-CZ3 3.61Å; W469-W535 HydrophobicContact CD2-CB 4.41Å; W469-W535 HydrophobicContact CD2-CD2 4.47Å; W469-W535 AromaticContact CD2-CE3 3.54Å; W469-W535 HydrophobicContact CD2-CE3 3.54Å; W469-W535 HydrophobicContact CD2-CZ3 4.25Å; W469-W535 AromaticContact CE3-CE3 3.85Å; W469-W535 HydrophobicContact CE3-CE3 3.85Å; W469-W535 HydrophobicContact CE3-CZ3 4.33Å; W469-W535 HydrophobicContact CG-CD2 4.28Å; W469-W535 AromaticContact CG-CE3 3.44Å; W469-W535 HydrophobicContact CG-CE3 3.44Å; W469-W535 VanDerWaalsContact CG-CE3 3.44Å; W469-W535 AromaticContact CG-CZ3 3.95Å; W469-W535 HydrophobicContact CG-CZ3 3.95Å; W469-W535 HydrophobicContact CZ2-CB 4.18Å; W469-F538 HydrophobicContact CE3-CB 4.15Å; W469-F538 AromaticContact CE3-CD1 3.65Å; W469-F538 HydrophobicContact CE3-CD1 3.65Å; W469-F538 HydrophobicContact CE3-CE1 4.2Å; W469-F538 AromaticContact CE3-CG 3.93Å; W469-F538 HydrophobicContact CE3-CG 3.93Å; W469-F538 HydrophobicContact CH2-CB 4.11Å; W469-F538 HydrophobicContact CZ3-CB 3.54Å; W469-F538 AromaticContact CZ3-CD1 3.83Å; W469-F538 HydrophobicContact CZ3-CD1 3.83Å; W469-F538 HydrophobicContact CZ3-CD2 4.18Å; W469-F538 AromaticContact CZ3-CG 3.59Å; W469-F538 HydrophobicContact CZ3-CG 3.59Å
470Y94.8Very high91Very high0 Ų027.1 Ų27.10%015%0.152CC..Hα-helixtrans-57.8-52.8175.2-175.2-86.9000111.2L426 P450 S466 I468 V472 S473 T474 D476 N479 F482L426-Y470 HydrophobicContact CD1-CD2 3.52Å; L426-Y470 HydrophobicContact CD1-CE2 3.73Å; L426-Y470 HydrophobicContact CD1-CG 4.42Å; P450-Y470 HydrophobicContact CG-CD1 4.42Å; P450-Y470 HydrophobicContact CG-CE1 3.69Å; P450-Y470 HydrophobicContact CG-CE2 4.06Å; P450-Y470 VanDerWaalsContact CG-CZ 3.49Å; S466-Y470 WeakPolarHBondContact O-CB 3.47Å; S466-Y470 PolarHBondContact O-N 3.11Å; I468-Y470 PolarHBondContact O-N 3.21Å; Y470-V472 VanDerWaalsContact C-N 3.34Å; Y470-V472 PolarHBondContact O-N 3.08Å; Y470-S473 PolarHBondContact O-N 3.36Å; Y470-T474 HydrophobicContact CD1-CG2 4.15Å; Y470-T474 HydrophobicContact CD2-CG2 4.17Å; Y470-T474 HydrophobicContact CE1-CG2 3.81Å; Y470-T474 HydrophobicContact CE2-CG2 3.86Å; Y470-T474 HydrophobicContact CG-CG2 4.3Å; Y470-T474 VanDerWaalsContact O-CG2 3.26Å; Y470-T474 WeakPolarHBondContact O-CG2 3.34Å; Y470-T474 PolarHBondContact O-N 3.22Å; Y470-T474 VanDerWaalsContact O-N 3.15Å; Y470-D476 PolarHBondContact OH-O 2.91Å; Y470-N479 HydrophobicContact CE2-CB 4.33Å; Y470-N479 WeakPolarHBondContact CE2-O 3.5Å; Y470-N479 PolarHBondContact OH-N 2.87Å; Y470-N479 VanDerWaalsContact OH-N 3.15Å; Y470-F482 HydrophobicContact CD2-CB 3.77Å; Y470-F482 AromaticContact CD2-CD1 3.75Å; Y470-F482 HydrophobicContact CD2-CD1 3.75Å; Y470-F482 AromaticContact CD2-CD2 3.9Å; Y470-F482 HydrophobicContact CD2-CD2 3.9Å; Y470-F482 HydrophobicContact CD2-CE1 4.27Å; Y470-F482 HydrophobicContact CD2-CE2 4.41Å; Y470-F482 AromaticContact CD2-CG 3.54Å; Y470-F482 HydrophobicContact CD2-CG 3.54Å; Y470-F482 HydrophobicContact CE2-CB 3.73Å; Y470-F482 HydrophobicContact CE2-CD2 4.05Å; Y470-F482 AromaticContact CE2-CG 3.87Å; Y470-F482 HydrophobicContact CE2-CG 3.87Å
471N93.7Very high90.7Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-74.5-24.1-171.9-71.7-62.9000113.7R240 Q243 I247 I467 I468R240-N471 PolarHBondContact NH1-O 3.04Å; Q243-N471 HydrophobicContact CG-CB 3.9Å; Q243-N471 WeakPolarHBondContact CG-OD1 3.44Å; Q243-N471 PolarHBondContact NE2-OD1 2.7Å; I247-N471 HydrophobicContact CD1-CB 4.22Å; I247-N471 HydrophobicContact CG2-CB 3.79Å; I467-N471 WeakPolarHBondContact CG2-ND2 3.49Å; I467-N471 WeakPolarHBondContact O-CB 3.22Å; I467-N471 PolarHBondContact O-N 2.98Å; I467-N471 VanDerWaalsContact O-N 3.09Å; I467-N471 PolarHBondContact O-ND2 3.49Å; I468-N471 PolarHBondContact O-N 3.11Å
472V91Very high90.6Very high5 Ų527.7 Ų27.73%0.0316%0.155CC..Hα-helixtrans-75.4-46.2172.61730000110.8R240 I247 I468 Y470 A489 Q493 V497R240-V472 PolarHBondContact NH2-O 3.49Å; I247-V472 HydrophobicContact CD1-CG2 3.52Å; I468-V472 HydrophobicContact CG2-CG2 4.23Å; I468-V472 WeakPolarHBondContact O-CB 3.43Å; I468-V472 VanDerWaalsContact O-CG2 3.27Å; I468-V472 WeakPolarHBondContact O-CG2 3.43Å; I468-V472 PolarHBondContact O-N 3.06Å; Y470-V472 VanDerWaalsContact C-N 3.34Å; Y470-V472 PolarHBondContact O-N 3.08Å; V472-A489 HydrophobicContact CG1-CB 4.46Å; V472-Q493 HydrophobicContact CG1-CB 4.41Å; V472-V497 HydrophobicContact CG2-CB 4.17Å; V472-V497 HydrophobicContact CG2-CG1 4.01Å; V472-V497 HydrophobicContact CG2-CG2 3.44Å; V472-V497 VanDerWaalsContact CG2-CG2 3.44Å
473S88.4Confident90.4Very high34 Ų3425.8 Ų25.824%0.23814%0.144CC..Hα-helixtrans-89.6-12.4-165.6-54.90000115.5W469 Y470W469-S473 VanDerWaalsContact O-CB 3.29Å; W469-S473 WeakPolarHBondContact O-CB 3.47Å; W469-S473 PolarHBondContact O-N 3.24Å; W469-S473 VanDerWaalsContact O-N 3.1Å; W469-S473 PolarHBondContact O-OG 3.03Å; W469-S473 VanDerWaalsContact O-OG 3.07Å; Y470-S473 PolarHBondContact O-N 3.36Å
474T86.9Confident90Very high27 Ų2730.5 Ų30.517%0.16617%0.17CC..  trans-139.6148.1177.5-171.70000113.8R240 Q243 Y470 D476 F482R240-T474 PolarHBondContact NH1-O 3.45Å; Q243-T474 PolarHBondContact NE2-O 3.46Å; Q243-T474 PolarHBondContact OE1-O 3.17Å; Y470-T474 HydrophobicContact CD1-CG2 4.15Å; Y470-T474 HydrophobicContact CD2-CG2 4.17Å; Y470-T474 HydrophobicContact CE1-CG2 3.81Å; Y470-T474 HydrophobicContact CE2-CG2 3.86Å; Y470-T474 HydrophobicContact CG-CG2 4.3Å; Y470-T474 VanDerWaalsContact O-CG2 3.26Å; Y470-T474 WeakPolarHBondContact O-CG2 3.34Å; Y470-T474 PolarHBondContact O-N 3.22Å; Y470-T474 VanDerWaalsContact O-N 3.15Å; T474-D476 WeakPolarHBondContact OG1-CB 3.3Å; T474-D476 PolarHBondContact OG1-N 3.02Å; T474-F482 HydrophobicContact CG2-CD2 4.01Å; T474-F482 HydrophobicContact CG2-CE2 3.9Å
475N82.5Confident89.5Confident117 Ų11737.1 Ų37.163%0.62621%0.205SC*.  trans-96.5-9168.3-62.4-15.6000111.9R240 S477R240-N475 WeakPolarHBondContact CD-OD1 3.38Å; R240-N475 PolarHBondContact NE-OD1 2.99Å; R240-N475 PolarHBondContact NH1-OD1 2.83Å; N475-S477 PolarHBondContact O-N 3.12Å
476D83.3Confident89.2Confident79 Ų7938.7 Ų38.742%0.42222%0.216SC..  trans-67.9125.4173.4-172.6-9.8000108.9Y470 T474 Q478 N479Y470-D476 PolarHBondContact OH-O 2.91Å; T474-D476 WeakPolarHBondContact OG1-CB 3.3Å; T474-D476 PolarHBondContact OG1-N 3.02Å; D476-Q478 PolarHBondContact OD1-N 3.03Å; D476-N479 HydrophobicContact CB-CB 4.34Å
477S79.3Confident89Confident56 Ų5641 Ų4139%0.39223%0.231SC..SBendtrans-88.3-6.9-177.760.50000113.6P450 N475P450-S477 VanDerWaalsContact CD-O 3.32Å; P450-S477 WeakPolarHBondContact CD-O 3.37Å; N475-S477 PolarHBondContact O-N 3.12Å
478Q83.8Confident88.7Confident72 Ų7244.5 Ų44.534%0.33625%0.253SS..  trans-132.115.4-171.8-60.9-59.4-49.900114.5S428 S448 D476 L480S428-Q478 PolarHBondContact OG-OE1 3.31Å; S448-Q478 PolarHBondContact O-NE2 3.43Å; D476-Q478 PolarHBondContact OD1-N 3.03Å; Q478-L480 PolarHBondContact O-N 3.24Å
479N87.3Confident88.4Confident48 Ų4844.6 Ų44.626%0.25725%0.254SS..  trans-77.781.3177.4-174.60.4000112.1Y470 D476 V481 F482Y470-N479 HydrophobicContact CE2-CB 4.33Å; Y470-N479 WeakPolarHBondContact CE2-O 3.5Å; Y470-N479 PolarHBondContact OH-N 2.87Å; Y470-N479 VanDerWaalsContact OH-N 3.15Å; D476-N479 HydrophobicContact CB-CB 4.34Å; N479-V481 PolarHBondContact O-N 3.43Å; N479-V481 VanDerWaalsContact OD1-CG2 3.31Å; N479-V481 WeakPolarHBondContact OD1-CG2 3.11Å; N479-V481 PolarHBondContact OD1-N 2.95Å; N479-F482 VanDerWaalsContact O-CB 3.28Å; N479-F482 WeakPolarHBondContact O-CB 3.43Å; N479-F482 PolarHBondContact O-N 3.49Å; N479-F482 PolarHBondContact OD1-N 2.96Å
480L87.5Confident88.1Confident27 Ų2746.7 Ų46.714%0.14127%0.267CS..THydrogen-bonded Turntrans-71.6-16.3-177.9-56.4-178.2000114.2V367 L426 P450 Q478 F482V367-L480 HydrophobicContact CB-CD1 4.28Å; V367-L480 HydrophobicContact CG1-CD1 3.75Å; V367-L480 HydrophobicContact CG2-CD1 3.47Å; V367-L480 VanDerWaalsContact CG2-CD1 3.47Å; L426-L480 HydrophobicContact CB-CB 4.37Å; L426-L480 HydrophobicContact CB-CD2 3.98Å; P450-L480 HydrophobicContact CB-CD2 3.84Å; P450-L480 HydrophobicContact CG-CD2 3.98Å; Q478-L480 PolarHBondContact O-N 3.24Å; L480-F482 VanDerWaalsContact C-N 3.34Å
481V87.2Confident87.8Confident56 Ų5647.5 Ų47.534%0.33927%0.271SS..THydrogen-bonded Turntrans-97.116.6178.4-650000112.9L370 N479 F483 N484L370-V481 HydrophobicContact CD1-CG1 4.35Å; L370-V481 HydrophobicContact CD2-CG1 3.89Å; L370-V481 HydrophobicContact CG-CG1 4.49Å; N479-V481 PolarHBondContact O-N 3.43Å; N479-V481 VanDerWaalsContact OD1-CG2 3.31Å; N479-V481 WeakPolarHBondContact OD1-CG2 3.11Å; N479-V481 PolarHBondContact OD1-N 2.95Å; V481-F483 VanDerWaalsContact C-N 3.26Å; V481-F483 PolarHBondContact O-N 3.21Å; V481-N484 VanDerWaalsContact O-CB 3.25Å; V481-N484 WeakPolarHBondContact O-CB 3.03Å; V481-N484 PolarHBondContact O-N 3.37Å
482F90.8Very high87.5Confident6 Ų650.4 Ų50.43%0.02629%0.292CS..G310 helixtrans-53.7-38.6-174.2172.5-90.1000113.8L426 W469 Y470 T474 N479 L480 N484 N485 P486 P487L426-F482 HydrophobicContact CD1-CB 4.04Å; W469-F482 AromaticContact CD1-CE1 3.73Å; W469-F482 AromaticContact CD1-CZ 3.79Å; Y470-F482 HydrophobicContact CD2-CB 3.77Å; Y470-F482 AromaticContact CD2-CD1 3.75Å; Y470-F482 HydrophobicContact CD2-CD1 3.75Å; Y470-F482 AromaticContact CD2-CD2 3.9Å; Y470-F482 HydrophobicContact CD2-CD2 3.9Å; Y470-F482 HydrophobicContact CD2-CE1 4.27Å; Y470-F482 HydrophobicContact CD2-CE2 4.41Å; Y470-F482 AromaticContact CD2-CG 3.54Å; Y470-F482 HydrophobicContact CD2-CG 3.54Å; Y470-F482 HydrophobicContact CE2-CB 3.73Å; Y470-F482 HydrophobicContact CE2-CD2 4.05Å; Y470-F482 AromaticContact CE2-CG 3.87Å; Y470-F482 HydrophobicContact CE2-CG 3.87Å; T474-F482 HydrophobicContact CG2-CD2 4.01Å; T474-F482 HydrophobicContact CG2-CE2 3.9Å; N479-F482 VanDerWaalsContact O-CB 3.28Å; N479-F482 WeakPolarHBondContact O-CB 3.43Å; N479-F482 PolarHBondContact O-N 3.49Å; N479-F482 PolarHBondContact OD1-N 2.96Å; L480-F482 VanDerWaalsContact C-N 3.34Å; F482-N484 PolarHBondContact O-N 3.07Å; F482-N485 CarbonylContact O-C 3.6Å; F482-N485 PolarHBondContact O-N 3.31Å; F482-P486 HydrophobicContact CE1-CB 4.3Å; F482-P486 WeakPolarHBondContact O-CA 3.45Å; F482-P487 VanDerWaalsContact CE2-CD 3.46Å; F482-P487 HydrophobicContact CE2-CG 3.66Å; F482-P487 HydrophobicContact CZ-CG 4.01Å
483F90.3Very high87.4Confident12 Ų1253.2 Ų53.25%0.05330%0.304CS..G310 helixtrans-79.10.4-179.6-71.3-74.3000114.7H420 E424 L426 S466 W469 V481 N485 P486 W535H420-F483 PolarHBondContact CE1-O 3.44Å; E424-F483 HydrophobicContact CB-CB 4Å; E424-F483 HydrophobicContact CB-CD1 4.49Å; E424-F483 HydrophobicContact CB-CD2 4.07Å; E424-F483 HydrophobicContact CB-CG 3.92Å; E424-F483 HydrophobicContact CG-CD1 4.37Å; E424-F483 HydrophobicContact CG-CG 4.3Å; E424-F483 WeakPolarHBondContact O-CD2 3.48Å; L426-F483 HydrophobicContact CD1-CD2 4.12Å; L426-F483 HydrophobicContact CD1-CE2 4.11Å; L426-F483 HydrophobicContact CD2-CE2 4.19Å; L426-F483 HydrophobicContact CG-CD2 4.2Å; L426-F483 HydrophobicContact CG-CE2 4.24Å; S466-F483 WeakPolarHBondContact O-CZ 3.31Å; W469-F483 HydrophobicContact CB-CZ 4.5Å; V481-F483 VanDerWaalsContact C-N 3.26Å; V481-F483 PolarHBondContact O-N 3.21Å; F483-N485 VanDerWaalsContact C-N 3.31Å; F483-P486 HydrophobicContact CD1-CB 4.3Å; F483-W535 HydrophobicContact CD1-CD2 4.43Å; F483-W535 HydrophobicContact CD1-CZ2 4.44Å; F483-W535 AromaticContact CD1-NE1 3.84Å; F483-W535 AromaticContact CE1-CD2 3.93Å; F483-W535 HydrophobicContact CE1-CD2 3.93Å; F483-W535 AromaticContact CE1-CE2 3.69Å; F483-W535 HydrophobicContact CE1-CE3 4.32Å; F483-W535 HydrophobicContact CE1-CG 4.39Å; F483-W535 HydrophobicContact CE1-CH2 4.27Å; F483-W535 AromaticContact CE1-CZ2 3.88Å; F483-W535 HydrophobicContact CE1-CZ2 3.88Å; F483-W535 HydrophobicContact CE1-CZ3 4.47Å; F483-W535 AromaticContact CE1-NE1 4Å
484N87.5Confident87.6Confident99 Ų9951.7 Ų51.753%0.52929%0.293SS..G310 helixtrans-67.7-36.2169.4-65.112.3000111.1H420 V481 F482H420-N484 PolarHBondContact CE1-OD1 3.41Å; H420-N484 PolarHBondContact NE2-OD1 3.35Å; V481-N484 VanDerWaalsContact O-CB 3.25Å; V481-N484 WeakPolarHBondContact O-CB 3.03Å; V481-N484 PolarHBondContact O-N 3.37Å; F482-N484 PolarHBondContact O-N 3.07Å
485N87.4Confident87.8Confident141 Ų14151.3 Ų51.375%0.75429%0.29SS*.SBendtrans-148.676.3175.6-172.224.6000109.5F482 F483 P487F482-N485 CarbonylContact O-C 3.6Å; F482-N485 PolarHBondContact O-N 3.31Å; F483-N485 VanDerWaalsContact C-N 3.31Å; N485-P487 WeakPolarHBondContact O-CD 3.37Å
486P89.6Confident88.2Confident34 Ų3445.9 Ų45.922%0.22126%0.261CS..PPolyproline II helixtrans-67.8122.2-17326.2-32.4000110.1F482 F483 W535F482-P486 HydrophobicContact CE1-CB 4.3Å; F482-P486 WeakPolarHBondContact O-CA 3.45Å; F483-P486 HydrophobicContact CD1-CB 4.3Å; P486-W535 HydrophobicContact CB-CB 3.87Å; P486-W535 HydrophobicContact CB-CG 4.28Å; P486-W535 HydrophobicContact CG-CB 3.71Å; P486-W535 HydrophobicContact CG-CG 4.06Å
487P91.3Very high88.7Confident49 Ų4942.1 Ų42.132%0.31824%0.241SC..PPolyproline II helixtrans-63.3148.5177.925.9-34000110.8W469 F482 N485W469-P487 PolarHBondContact NE1-O 2.93Å; W469-P487 VanDerWaalsContact NE1-O 3.14Å; F482-P487 VanDerWaalsContact CE2-CD 3.46Å; F482-P487 HydrophobicContact CE2-CG 3.66Å; F482-P487 HydrophobicContact CZ-CG 4.01Å; N485-P487 WeakPolarHBondContact O-CD 3.37Å
488P89.3Confident89.4Confident73 Ų7339.4 Ų39.447%0.47422%0.222SC..PPolyproline II helixtrans-68.6143.1173.431-34.6000110.4H532 L533P488-H532 HydrophobicContact CB-CB 4.19Å; P488-L533 CarbonylContact C-O 3.54Å; P488-L533 VanDerWaalsContact CA-O 3.24Å; P488-L533 WeakPolarHBondContact CA-O 3.46Å; P488-L533 WeakPolarHBondContact CB-O 3.39Å
489A89.5Confident89.8Confident2 Ų236 Ų362%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-99.3146.3177.800000110.4W469 V472 L491 H532 L533W469-A489 HydrophobicContact CH2-CB 3.79Å; W469-A489 HydrophobicContact CZ2-CB 3.76Å; W469-A489 HydrophobicContact CZ3-CB 4.29Å; V472-A489 HydrophobicContact CG1-CB 4.46Å; A489-L491 PolarHBondContact O-N 3.2Å; A489-H532 CarbonylContact O-C 3.55Å; A489-H532 WeakPolarHBondContact O-CA 3.18Å; A489-L533 PolarHBondContact N-O 2.93Å; A489-L533 PolarHBondContact O-N 3.46Å
490T89.1Confident90.1Very high43 Ų4334 Ų3426%0.26420%0.195SC..EExtended strand (participates in β ladder)trans-67.1130.8172.7-49.50000110S492 Q493 L494 G531T490-S492 VanDerWaalsContact C-N 3.29Å; T490-S492 WeakPolarHBondContact CG2-OG 3.29Å; T490-S492 PolarHBondContact O-N 3.11Å; T490-Q493 PolarHBondContact O-N 3.22Å; T490-L494 PolarHBondContact O-N 3.44Å; T490-G531 CarbonylContact C-O 3.43Å; T490-G531 WeakPolarHBondContact CA-O 3.39Å
491L88.6Confident90.4Very high18 Ų1832.8 Ų32.89%0.09419%0.189CC..Hα-helixtrans-58.3-40.3-177.5-179.862.8000112A489 Q493 L494 L495 A519 L522 T523 G531A489-L491 PolarHBondContact O-N 3.2Å; L491-Q493 PolarHBondContact O-N 3.09Å; L491-L494 PolarHBondContact O-N 3.01Å; L491-L495 HydrophobicContact CD1-CD1 4.13Å; L491-L495 HydrophobicContact CD1-CG 4.06Å; L491-L495 HydrophobicContact CG-CD1 3.86Å; L491-L495 HydrophobicContact CG-CG 4.26Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.39Å; L491-L495 PolarHBondContact O-N 2.86Å; L491-A519 HydrophobicContact CD2-CB 4.33Å; L491-L522 HydrophobicContact CD1-CB 4.39Å; L491-L522 HydrophobicContact CD1-CD1 3.94Å; L491-T523 HydrophobicContact CD2-CG2 3.53Å; L491-G531 WeakPolarHBondContact CB-O 3.46Å; L491-G531 PolarHBondContact N-O 3.4Å
492S87.9Confident90.7Very high61 Ų6130.1 Ų30.143%0.42717%0.173SC..Hα-helixtrans-60.8-45.4177.6570000112.4T490 L495 E496T490-S492 VanDerWaalsContact C-N 3.29Å; T490-S492 WeakPolarHBondContact CG2-OG 3.29Å; T490-S492 PolarHBondContact O-N 3.11Å; S492-L495 PolarHBondContact O-N 3.01Å; S492-E496 WeakPolarHBondContact O-CB 3.49Å; S492-E496 PolarHBondContact O-N 3.02Å; S492-E496 VanDerWaalsContact O-N 3.07Å
493Q89.1Confident90.6Very high64 Ų6431.1 Ų31.130%0.29918%0.181SC..Hα-helixtrans-64.8-40.5176.7-69.1175.7-29.100111.4V472 T490 L491 E496 V497V472-Q493 HydrophobicContact CG1-CB 4.41Å; T490-Q493 PolarHBondContact O-N 3.22Å; L491-Q493 PolarHBondContact O-N 3.09Å; Q493-E496 WeakPolarHBondContact O-CB 3.28Å; Q493-E496 PolarHBondContact O-N 3.34Å; Q493-V497 WeakPolarHBondContact O-CG2 3.45Å; Q493-V497 PolarHBondContact O-N 3.13Å
494L91.1Very high90.4Very high1 Ų132 Ų321%0.00519%0.188CC..Hα-helixtrans-68-42.1179-173.567.3000112W469 T490 L491 E496 V497 M498 L533 F538W469-L494 HydrophobicContact CE3-CD1 4.29Å; W469-L494 HydrophobicContact CH2-CD2 4.36Å; W469-L494 HydrophobicContact CZ3-CD1 4.08Å; W469-L494 HydrophobicContact CZ3-CD2 3.74Å; T490-L494 PolarHBondContact O-N 3.44Å; L491-L494 PolarHBondContact O-N 3.01Å; L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 3.25Å; L494-V497 CarbonylContact O-C 3.55Å; L494-V497 WeakPolarHBondContact O-CB 3.03Å; L494-V497 PolarHBondContact O-N 3.2Å; L494-M498 HydrophobicContact CD1-CE 4.02Å; L494-M498 WeakPolarHBondContact O-CG 3.35Å; L494-M498 PolarHBondContact O-N 2.74Å; L494-L533 HydrophobicContact CD2-CD2 3.33Å; L494-F538 HydrophobicContact CD1-CE2 4.2Å; L494-F538 HydrophobicContact CD1-CZ 4.39Å; L494-F538 HydrophobicContact CD2-CD2 3.8Å; L494-F538 HydrophobicContact CD2-CE2 4.03Å; L494-F538 HydrophobicContact CG-CE2 4.4Å
495L91.6Very high90.4Very high20 Ų2029.2 Ų29.211%0.10517%0.171CC..Hα-helixtrans-62-40.7176.6-74.5171.8000111.8L491 S492 V497 M498 S499 L515 L518 A519L491-L495 HydrophobicContact CD1-CD1 4.13Å; L491-L495 HydrophobicContact CD1-CG 4.06Å; L491-L495 HydrophobicContact CG-CD1 3.86Å; L491-L495 HydrophobicContact CG-CG 4.26Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.39Å; L491-L495 PolarHBondContact O-N 2.86Å; S492-L495 PolarHBondContact O-N 3.01Å; L495-V497 VanDerWaalsContact C-N 3.34Å; L495-V497 PolarHBondContact O-N 3.42Å; L495-M498 WeakPolarHBondContact O-CB 3.34Å; L495-M498 PolarHBondContact O-N 3.15Å; L495-S499 PolarHBondContact O-N 3.03Å; L495-L515 HydrophobicContact CB-CD2 4.19Å; L495-L515 HydrophobicContact CD2-CD2 4.45Å; L495-L515 WeakPolarHBondContact O-CD2 3.39Å; L495-L518 HydrophobicContact CD2-CB 3.91Å; L495-A519 HydrophobicContact CD1-CB 3.66Å; L495-A519 HydrophobicContact CD2-CB 4.46Å
496E91.4Very high90.5Very high2 Ų222.6 Ų22.61%0.00914%0.135CC..Hα-helixtrans-58-46.7172.1178.2170.1-163.200111.3Q124 G125 L127 E128 S492 Q493 L494 M498 S499 W500Q124-E496 HydrophobicContact CB-CG 3.86Å; G125-E496 WeakPolarHBondContact CA-OE1 3.4Å; G125-E496 WeakPolarHBondContact CA-OE2 3.39Å; G125-E496 PolarHBondContact N-OE1 3.22Å; G125-E496 VanDerWaalsContact N-OE1 3.15Å; L127-E496 VanDerWaalsContact CB-OE2 3.23Å; L127-E496 WeakPolarHBondContact CB-OE2 3.27Å; L127-E496 PolarHBondContact N-OE2 2.98Å; E128-E496 WeakPolarHBondContact CA-OE1 3.44Å; E128-E496 WeakPolarHBondContact CB-OE1 3.31Å; E128-E496 PolarHBondContact N-OE1 3.09Å; S492-E496 WeakPolarHBondContact O-CB 3.49Å; S492-E496 PolarHBondContact O-N 3.02Å; S492-E496 VanDerWaalsContact O-N 3.07Å; Q493-E496 WeakPolarHBondContact O-CB 3.28Å; Q493-E496 PolarHBondContact O-N 3.34Å; L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 3.25Å; E496-M498 VanDerWaalsContact C-N 3.33Å; E496-M498 PolarHBondContact O-N 3.3Å; E496-S499 VanDerWaalsContact O-CB 3.27Å; E496-S499 WeakPolarHBondContact O-CB 3.45Å; E496-S499 PolarHBondContact O-N 3.42Å; E496-S499 VanDerWaalsContact O-N 3.13Å; E496-W500 HydrophobicContact CG-CH2 4.13Å; E496-W500 HydrophobicContact CG-CZ2 3.54Å; E496-W500 PolarHBondContact O-N 3.12Å; E496-W500 VanDerWaalsContact O-N 3.09Å
497V93.3Very high90.1Very high0 Ų021 Ų210%013%0.125CC..Hα-helixtrans-65.6-34.6176.1175.70000112.4I247 I468 V472 Q493 L494 L495 S499 W500 Q501I247-V497 HydrophobicContact CD1-CG1 3.99Å; I247-V497 HydrophobicContact CD1-CG2 4.15Å; I468-V497 HydrophobicContact CG2-CG1 3.76Å; V472-V497 HydrophobicContact CG2-CB 4.17Å; V472-V497 HydrophobicContact CG2-CG1 4.01Å; V472-V497 HydrophobicContact CG2-CG2 3.44Å; V472-V497 VanDerWaalsContact CG2-CG2 3.44Å; Q493-V497 WeakPolarHBondContact O-CG2 3.45Å; Q493-V497 PolarHBondContact O-N 3.13Å; L494-V497 CarbonylContact O-C 3.55Å; L494-V497 WeakPolarHBondContact O-CB 3.03Å; L494-V497 PolarHBondContact O-N 3.2Å; L495-V497 VanDerWaalsContact C-N 3.34Å; L495-V497 PolarHBondContact O-N 3.42Å; V497-S499 VanDerWaalsContact C-N 3.33Å; V497-W500 HydrophobicContact CB-CE3 4.08Å; V497-W500 HydrophobicContact CB-CZ3 4.4Å; V497-W500 HydrophobicContact CG1-CE3 4.36Å; V497-W500 HydrophobicContact CG2-CE3 3.68Å; V497-W500 HydrophobicContact CG2-CH2 4.4Å; V497-W500 HydrophobicContact CG2-CZ3 3.51Å; V497-W500 WeakPolarHBondContact O-CB 3Å; V497-W500 PolarHBondContact O-N 3.43Å; V497-Q501 WeakPolarHBondContact O-CG 3.36Å; V497-Q501 PolarHBondContact O-N 3.42Å; V497-Q501 PolarHBondContact O-NE2 3.11Å
498M93.8Very high89.9Confident0 Ų020.2 Ų20.20%012%0.116CC..Hα-helixtrans-62.1-44172.6-67.6-54.393.600110.1I468 L494 L495 E496 W500 Q501 F502 F538 W551 L554I468-M498 HydrophobicContact CD1-CE 4.47Å; I468-M498 HydrophobicContact CG2-CE 4.16Å; L494-M498 HydrophobicContact CD1-CE 4.02Å; L494-M498 WeakPolarHBondContact O-CG 3.35Å; L494-M498 PolarHBondContact O-N 2.74Å; L495-M498 WeakPolarHBondContact O-CB 3.34Å; L495-M498 PolarHBondContact O-N 3.15Å; E496-M498 VanDerWaalsContact C-N 3.33Å; E496-M498 PolarHBondContact O-N 3.3Å; M498-W500 VanDerWaalsContact C-N 3.25Å; M498-W500 PolarHBondContact O-N 3.24Å; M498-Q501 HydrophobicContact CE-CG 4.16Å; M498-Q501 WeakPolarHBondContact O-CB 3.44Å; M498-Q501 PolarHBondContact O-N 3.18Å; M498-F502 VanDerWaalsContact O-CD2 3.31Å; M498-F502 WeakPolarHBondContact O-CD2 3.46Å; M498-F502 PolarHBondContact O-N 3.49Å; M498-F538 HydrophobicContact CE-CE2 4.18Å; M498-F538 HydrophobicContact CE-CZ 3.93Å; M498-F538 HydrophobicContact SD-CE2 3.99Å; M498-F538 HydrophobicContact SD-CZ 4.15Å; M498-W551 HydrophobicContact CE-CZ3 4.15Å; M498-W551 HydrophobicContact SD-CE3 4.3Å; M498-W551 HydrophobicContact SD-CZ3 3.95Å; M498-L554 HydrophobicContact CB-CD2 4.47Å; M498-L554 HydrophobicContact CG-CD2 4.12Å; M498-L554 HydrophobicContact SD-CD2 3.36Å; M498-L554 WeakPolarHBondContact SD-CD2 3.39Å
499S93.4Very high90Very high1 Ų116.8 Ų16.81%0.0079%0.093CC..Hα-helixtrans-56.8-41174.1-165.50000112.3Q124 L495 E496 V497 Q501 F502 S503 L510Q124-S499 PolarHBondContact OE1-OG 3.22Å; L495-S499 PolarHBondContact O-N 3.03Å; E496-S499 VanDerWaalsContact O-CB 3.27Å; E496-S499 WeakPolarHBondContact O-CB 3.45Å; E496-S499 PolarHBondContact O-N 3.42Å; E496-S499 VanDerWaalsContact O-N 3.13Å; V497-S499 VanDerWaalsContact C-N 3.33Å; S499-Q501 VanDerWaalsContact C-N 3.32Å; S499-Q501 PolarHBondContact O-N 3.46Å; S499-F502 PolarHBondContact O-N 3.22Å; S499-S503 PolarHBondContact O-N 3Å; S499-L510 PolarHBondContact OG-N 2.89Å; S499-L510 PolarHBondContact OG-O 3.22Å
500W92.5Very high90.1Very high6 Ų616.7 Ų16.72%0.0239%0.093CC..Hα-helixtrans-63.2-33.2174.6-60.9-20.2000113.8L127 E128 I244 G248 E496 V497 M498 F502 S503 S504L127-W500 HydrophobicContact CB-CH2 4.48Å; L127-W500 HydrophobicContact CD2-CH2 3.68Å; L127-W500 HydrophobicContact CD2-CZ3 4.18Å; L127-W500 HydrophobicContact CG-CH2 4.04Å; E128-W500 HydrophobicContact CB-CZ2 4.11Å; I244-W500 HydrophobicContact CG2-CE3 4.34Å; I244-W500 HydrophobicContact CG2-CH2 3.55Å; I244-W500 HydrophobicContact CG2-CZ2 4.5Å; I244-W500 HydrophobicContact CG2-CZ3 3.46Å; I244-W500 VanDerWaalsContact CG2-CZ3 3.46Å; G248-W500 WeakPolarHBondContact O-CB 3.1Å; E496-W500 HydrophobicContact CG-CH2 4.13Å; E496-W500 HydrophobicContact CG-CZ2 3.54Å; E496-W500 PolarHBondContact O-N 3.12Å; E496-W500 VanDerWaalsContact O-N 3.09Å; V497-W500 HydrophobicContact CB-CE3 4.08Å; V497-W500 HydrophobicContact CB-CZ3 4.4Å; V497-W500 HydrophobicContact CG1-CE3 4.36Å; V497-W500 HydrophobicContact CG2-CE3 3.68Å; V497-W500 HydrophobicContact CG2-CH2 4.4Å; V497-W500 HydrophobicContact CG2-CZ3 3.51Å; V497-W500 WeakPolarHBondContact O-CB 3Å; V497-W500 PolarHBondContact O-N 3.43Å; M498-W500 VanDerWaalsContact C-N 3.25Å; M498-W500 PolarHBondContact O-N 3.24Å; W500-F502 PolarHBondContact O-N 3.1Å; W500-S503 WeakPolarHBondContact CA-OG 3.5Å; W500-S503 PolarHBondContact O-N 3.11Å; W500-S503 PolarHBondContact O-OG 3.01Å; W500-S504 VanDerWaalsContact O-CB 3.32Å; W500-S504 WeakPolarHBondContact O-CB 3.48Å; W500-S504 PolarHBondContact O-N 3.01Å; W500-S504 PolarHBondContact O-OG 3.22Å
501Q94Very high90.2Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-61.7-36.3172.9-58.4-42.2-65.200111.3I247 I468 V497 M498 S499 Y505 W551 L558I247-Q501 PolarHBondContact O-NE2 2.92Å; I468-Q501 HydrophobicContact CD1-CG 4.15Å; V497-Q501 WeakPolarHBondContact O-CG 3.36Å; V497-Q501 PolarHBondContact O-N 3.42Å; V497-Q501 PolarHBondContact O-NE2 3.11Å; M498-Q501 HydrophobicContact CE-CG 4.16Å; M498-Q501 WeakPolarHBondContact O-CB 3.44Å; M498-Q501 PolarHBondContact O-N 3.18Å; S499-Q501 VanDerWaalsContact C-N 3.32Å; S499-Q501 PolarHBondContact O-N 3.46Å; Q501-Y505 WeakPolarHBondContact O-CB 3.4Å; Q501-Y505 PolarHBondContact O-N 3.48Å; Q501-W551 HydrophobicContact CG-CH2 4.44Å; Q501-L558 HydrophobicContact CB-CD1 4.02Å
502F93.1Very high90.3Very high0 Ų020.4 Ų20.40%012%0.117CC..Hα-helixtrans-75.1-46.4177.3-77.3-101.7000111.6M498 S499 W500 S504 V506 G507 R508 L510 L554 I557 L558 I561 W569 F577M498-F502 VanDerWaalsContact O-CD2 3.31Å; M498-F502 WeakPolarHBondContact O-CD2 3.46Å; M498-F502 PolarHBondContact O-N 3.49Å; S499-F502 PolarHBondContact O-N 3.22Å; W500-F502 PolarHBondContact O-N 3.1Å; F502-S504 PolarHBondContact O-N 3.25Å; F502-V506 HydrophobicContact CB-CG2 4.09Å; F502-V506 HydrophobicContact CD1-CG2 3.9Å; F502-V506 HydrophobicContact CG-CG2 4.35Å; F502-V506 CarbonylContact O-C 3.57Å; F502-V506 WeakPolarHBondContact O-CA 3.23Å; F502-V506 WeakPolarHBondContact O-CG2 3.37Å; F502-V506 PolarHBondContact O-N 3.18Å; F502-G507 PolarHBondContact O-N 3.5Å; F502-R508 CarbonylContact C-O 3.57Å; F502-R508 WeakPolarHBondContact CB-O 3.33Å; F502-L510 HydrophobicContact CB-CD2 4.28Å; F502-L510 HydrophobicContact CB-CG 4.23Å; F502-L510 HydrophobicContact CD1-CD2 3.77Å; F502-L510 HydrophobicContact CD1-CG 4.49Å; F502-L510 HydrophobicContact CD2-CD1 3.78Å; F502-L510 HydrophobicContact CD2-CD2 3.89Å; F502-L510 HydrophobicContact CD2-CG 3.79Å; F502-L510 HydrophobicContact CE1-CD2 4.08Å; F502-L510 HydrophobicContact CE2-CD1 3.97Å; F502-L510 HydrophobicContact CE2-CD2 4.21Å; F502-L510 HydrophobicContact CE2-CG 4.34Å; F502-L510 HydrophobicContact CG-CD1 4.4Å; F502-L510 HydrophobicContact CG-CD2 3.69Å; F502-L510 HydrophobicContact CG-CG 3.9Å; F502-L510 HydrophobicContact CZ-CD2 4.32Å; F502-L554 HydrophobicContact CE2-CD1 3.8Å; F502-L554 HydrophobicContact CE2-CD2 4.31Å; F502-L554 HydrophobicContact CE2-CG 4.07Å; F502-L554 HydrophobicContact CZ-CD1 3.75Å; F502-L554 HydrophobicContact CZ-CG 4.27Å; F502-I557 HydrophobicContact CE1-CG2 4.35Å; F502-I557 HydrophobicContact CZ-CG2 4.41Å; F502-L558 HydrophobicContact CB-CD2 4.4Å; F502-L558 HydrophobicContact CD1-CD2 3.61Å; F502-L558 HydrophobicContact CD2-CD2 3.83Å; F502-L558 HydrophobicContact CD2-CG 4.49Å; F502-L558 HydrophobicContact CE1-CD2 3.63Å; F502-L558 HydrophobicContact CE1-CG 4.18Å; F502-L558 HydrophobicContact CE2-CD1 4.36Å; F502-L558 HydrophobicContact CE2-CD2 3.84Å; F502-L558 HydrophobicContact CE2-CG 4.05Å; F502-L558 HydrophobicContact CG-CD2 3.7Å; F502-L558 HydrophobicContact CZ-CD2 3.71Å; F502-L558 HydrophobicContact CZ-CG 3.85Å; F502-I561 HydrophobicContact CD1-CD1 4.04Å; F502-I561 HydrophobicContact CE1-CD1 3.59Å; F502-W569 HydrophobicContact CB-CZ2 4.45Å; F502-W569 HydrophobicContact CD1-CH2 4.08Å; F502-W569 AromaticContact CD1-CZ2 3.56Å; F502-W569 HydrophobicContact CD1-CZ2 3.56Å; F502-W569 HydrophobicContact CE1-CH2 4.4Å; F502-W569 HydrophobicContact CE1-CZ2 4.3Å; F502-W569 HydrophobicContact CG-CZ2 4.34Å; F502-F577 AromaticContact CE1-CE2 3.78Å; F502-F577 HydrophobicContact CE1-CE2 3.78Å; F502-F577 AromaticContact CE1-CZ 3.94Å; F502-F577 HydrophobicContact CE1-CZ 3.94Å; F502-F577 HydrophobicContact CE2-CE2 4.45Å; F502-F577 HydrophobicContact CE2-CZ 4.37Å; F502-F577 AromaticContact CZ-CE2 3.7Å; F502-F577 HydrophobicContact CZ-CE2 3.7Å; F502-F577 AromaticContact CZ-CZ 3.51Å; F502-F577 HydrophobicContact CZ-CZ 3.51Å
503S89.3Confident90.4Very high28 Ų2821.8 Ų21.820%0.19612%0.12CC..Hα-helixtrans-65-42.2-178.465.10000112.9S499 W500 G507S499-S503 PolarHBondContact O-N 3Å; W500-S503 WeakPolarHBondContact CA-OG 3.5Å; W500-S503 PolarHBondContact O-N 3.11Å; W500-S503 PolarHBondContact O-OG 3.01Å; S503-G507 CarbonylContact O-C 3.58Å; S503-G507 WeakPolarHBondContact O-CA 3.46Å; S503-G507 PolarHBondContact O-N 3.47Å; S503-G507 VanDerWaalsContact O-N 3.11Å
504S86.4Confident90.6Very high30 Ų3018.9 Ų18.921%0.2111%0.107CC..Hα-helixtrans-72.5-42.3-18059.80000112.8Q329 W500 F502Q329-S504 PolarHBondContact NE2-O 3.16Å; Q329-S504 PolarHBondContact OE1-O 2.83Å; W500-S504 VanDerWaalsContact O-CB 3.32Å; W500-S504 WeakPolarHBondContact O-CB 3.48Å; W500-S504 PolarHBondContact O-N 3.01Å; W500-S504 PolarHBondContact O-OG 3.22Å; F502-S504 PolarHBondContact O-N 3.25Å
505Y87.3Confident90.7Very high41 Ų4119.8 Ų19.816%0.16111%0.111CC..Hα-helixtrans-88.1-42.6-172-164.6-121000113.5Q329 Q501 L558 K562Q329-Y505 HydrophobicContact CB-CD2 3.73Å; Q329-Y505 HydrophobicContact CB-CE2 3.96Å; Q329-Y505 HydrophobicContact CG-CD2 3.78Å; Q329-Y505 HydrophobicContact CG-CE2 4.09Å; Q501-Y505 WeakPolarHBondContact O-CB 3.4Å; Q501-Y505 PolarHBondContact O-N 3.48Å; Y505-L558 HydrophobicContact CD1-CB 4.03Å; Y505-L558 HydrophobicContact CD1-CD2 4.32Å; Y505-L558 HydrophobicContact CE1-CB 4.3Å; Y505-K562 HydrophobicContact CD1-CB 4.49Å; Y505-K562 HydrophobicContact CE1-CB 3.97Å; Y505-K562 HydrophobicContact CE1-CG 4.16Å; Y505-K562 WeakPolarHBondContact O-CD 3.39Å; Y505-K562 PolarHBondContact O-NZ 3.43Å
506V88.3Confident90.7Very high1 Ų122.3 Ų22.31%0.00613%0.125CC..Hα-helixtrans-119.98.7-175.3-62.40000113.3F502 R508 L558 I561 K562 L566F502-V506 HydrophobicContact CB-CG2 4.09Å; F502-V506 HydrophobicContact CD1-CG2 3.9Å; F502-V506 HydrophobicContact CG-CG2 4.35Å; F502-V506 CarbonylContact O-C 3.57Å; F502-V506 WeakPolarHBondContact O-CA 3.23Å; F502-V506 WeakPolarHBondContact O-CG2 3.37Å; F502-V506 PolarHBondContact O-N 3.18Å; V506-R508 VanDerWaalsContact C-N 3.33Å; V506-R508 PolarHBondContact O-N 3.05Å; V506-L558 HydrophobicContact CG1-CD2 4.29Å; V506-L558 HydrophobicContact CG2-CD2 3.96Å; V506-I561 HydrophobicContact CB-CB 4.47Å; V506-I561 HydrophobicContact CB-CG2 3.67Å; V506-I561 HydrophobicContact CG1-CB 3.97Å; V506-I561 HydrophobicContact CG1-CG2 3.64Å; V506-I561 HydrophobicContact CG2-CG2 4.04Å; V506-K562 HydrophobicContact CG1-CB 3.99Å; V506-K562 HydrophobicContact CG1-CD 4.25Å; V506-L566 HydrophobicContact CB-CD1 3.91Å; V506-L566 HydrophobicContact CG1-CD1 4.36Å; V506-L566 VanDerWaalsContact O-CD1 3.3Å; V506-L566 WeakPolarHBondContact O-CD1 3.23Å
507G81.4Confident90.7Very high1 Ų122.7 Ų22.71%0.0113%0.127CC..SBendtrans90.8-30.1162.100000116.5F502 S503F502-G507 PolarHBondContact O-N 3.5Å; S503-G507 CarbonylContact O-C 3.58Å; S503-G507 WeakPolarHBondContact O-CA 3.46Å; S503-G507 PolarHBondContact O-N 3.47Å; S503-G507 VanDerWaalsContact O-N 3.11Å
508R88.5Confident90.7Very high32 Ų3222.7 Ų22.712%0.12113%0.127CC..  trans-120.5130.4175.1-175.5-171.474.2141-5.6109.2A117 M121 F502 V506 W569 V574A117-R508 HydrophobicContact CB-CB 4.41Å; A117-R508 HydrophobicContact CB-CG 4.47Å; M121-R508 HydrophobicContact SD-CG 4.28Å; F502-R508 CarbonylContact C-O 3.57Å; F502-R508 WeakPolarHBondContact CB-O 3.33Å; V506-R508 VanDerWaalsContact C-N 3.33Å; V506-R508 PolarHBondContact O-N 3.05Å; R508-W569 WeakPolarHBondContact CD-O 3.38Å; R508-W569 PolarHBondContact NE-O 3.07Å; R508-W569 VanDerWaalsContact NH2-CE3 3.32Å; R508-W569 PolarHBondContact O-NE1 3.46Å; R508-V574 PolarHBondContact NH2-O 3.46Å; R508-V574 VanDerWaalsContact NH2-O 3.16Å
509G90.5Very high90.5Very high1 Ų122.9 Ų22.91%0.0113%0.128CC..  trans-72.5-170176.500000113.3
510L92.6Very high90.3Very high0 Ų027.5 Ų27.50%015%0.15CC..  trans-96.8142.8176.7-58.5178.7000111M121 Q124 S499 F502 Q514 L515 L518 W569 F577M121-L510 WeakPolarHBondContact CE-O 3.4Å; Q124-L510 PolarHBondContact NE2-O 2.86Å; Q124-L510 PolarHBondContact OE1-O 3.48Å; Q124-L510 VanDerWaalsContact OE1-O 3.09Å; S499-L510 PolarHBondContact OG-N 2.89Å; S499-L510 PolarHBondContact OG-O 3.22Å; F502-L510 HydrophobicContact CB-CD2 4.28Å; F502-L510 HydrophobicContact CB-CG 4.23Å; F502-L510 HydrophobicContact CD1-CD2 3.77Å; F502-L510 HydrophobicContact CD1-CG 4.49Å; F502-L510 HydrophobicContact CD2-CD1 3.78Å; F502-L510 HydrophobicContact CD2-CD2 3.89Å; F502-L510 HydrophobicContact CD2-CG 3.79Å; F502-L510 HydrophobicContact CE1-CD2 4.08Å; F502-L510 HydrophobicContact CE2-CD1 3.97Å; F502-L510 HydrophobicContact CE2-CD2 4.21Å; F502-L510 HydrophobicContact CE2-CG 4.34Å; F502-L510 HydrophobicContact CG-CD1 4.4Å; F502-L510 HydrophobicContact CG-CD2 3.69Å; F502-L510 HydrophobicContact CG-CG 3.9Å; F502-L510 HydrophobicContact CZ-CD2 4.32Å; L510-Q514 VanDerWaalsContact CA-OE1 3.29Å; L510-Q514 HydrophobicContact CB-CB 4.28Å; L510-Q514 HydrophobicContact CD2-CB 4.39Å; L510-L515 HydrophobicContact CB-CD2 3.75Å; L510-L515 HydrophobicContact CB-CG 3.9Å; L510-L515 HydrophobicContact CD1-CD2 3.78Å; L510-L515 HydrophobicContact CG-CD2 4.41Å; L510-L518 HydrophobicContact CD1-CD1 3.52Å; L510-W569 HydrophobicContact CD2-CH2 3.77Å; L510-W569 HydrophobicContact CD2-CZ2 3.95Å; L510-F577 HydrophobicContact CD2-CD2 3.82Å; L510-F577 HydrophobicContact CD2-CE2 3.57Å
511N90.3Very high90.1Very high57 Ų5728.8 Ų28.831%0.30516%0.156SC..  trans-90.6171.9173.968.633.7000111.8D513 Q514 L515N511-D513 VanDerWaalsContact C-N 3.32Å; N511-D513 PolarHBondContact O-N 3.02Å; N511-D513 PolarHBondContact OD1-N 3.01Å; N511-Q514 PolarHBondContact O-N 3.49Å; N511-Q514 WeakPolarHBondContact OD1-CB 3.43Å; N511-Q514 VanDerWaalsContact OD1-CG 3.27Å; N511-Q514 WeakPolarHBondContact OD1-CG 3.49Å; N511-Q514 PolarHBondContact OD1-N 2.76Å; N511-L515 WeakPolarHBondContact O-CG 3.43Å; N511-L515 PolarHBondContact O-N 3.47Å
512S89.8Confident89.7Confident82 Ų8229.4 Ų29.457%0.57316%0.159SC*.Hα-helixtrans-54.3-44.6-178.3-177.90000113Q514 L515 N516S512-Q514 PolarHBondContact O-N 3.43Å; S512-L515 PolarHBondContact O-N 3.3Å; S512-N516 WeakPolarHBondContact O-CB 3.46Å; S512-N516 PolarHBondContact O-N 3.38Å; S512-N516 PolarHBondContact O-ND2 3.29Å; S512-N516 VanDerWaalsContact O-ND2 3.09Å
513D90.6Very high89Confident90 Ų9030.6 Ų30.648%0.48117%0.166SC..Hα-helixtrans-63.3-41.1179.6-75.7-54.9000113N511 M517 K582N511-D513 VanDerWaalsContact C-N 3.32Å; N511-D513 PolarHBondContact O-N 3.02Å; N511-D513 PolarHBondContact OD1-N 3.01Å; D513-M517 PolarHBondContact O-N 3.47Å; D513-K582 IonicContact OD1-NZ 2.73Å; D513-K582 PolarHBondContact OD1-NZ 3.18Å
514Q94.4Very high87.8Confident4 Ų434.5 Ų34.52%0.01919%0.189CC..Hα-helixtrans-67.6-42.5177.4-70.3167.5-2400111.2L510 N511 S512 M517 L518 M575 F577L510-Q514 VanDerWaalsContact CA-OE1 3.29Å; L510-Q514 HydrophobicContact CB-CB 4.28Å; L510-Q514 HydrophobicContact CD2-CB 4.39Å; N511-Q514 PolarHBondContact O-N 3.49Å; N511-Q514 WeakPolarHBondContact OD1-CB 3.43Å; N511-Q514 VanDerWaalsContact OD1-CG 3.27Å; N511-Q514 WeakPolarHBondContact OD1-CG 3.49Å; N511-Q514 PolarHBondContact OD1-N 2.76Å; S512-Q514 PolarHBondContact O-N 3.43Å; Q514-M517 PolarHBondContact O-N 3.14Å; Q514-L518 WeakPolarHBondContact O-CG 3.43Å; Q514-L518 PolarHBondContact O-N 2.78Å; Q514-L518 VanDerWaalsContact O-N 3.1Å; Q514-M575 PolarHBondContact NE2-O 2.98Å; Q514-F577 HydrophobicContact CB-CB 3.97Å; Q514-F577 HydrophobicContact CB-CD2 4.07Å; Q514-F577 HydrophobicContact CB-CG 4.47Å; Q514-F577 HydrophobicContact CG-CB 4.11Å; Q514-F577 HydrophobicContact CG-CD2 4.19Å
515L92.6Very high86.2Confident19 Ų1939.4 Ų39.410%0.09921%0.208CC..Hα-helixtrans-64.6-40176.8-69.3174.4000111.8L495 L510 N511 S512 M517 L518 A519L495-L515 HydrophobicContact CB-CD2 4.19Å; L495-L515 HydrophobicContact CD2-CD2 4.45Å; L495-L515 WeakPolarHBondContact O-CD2 3.39Å; L510-L515 HydrophobicContact CB-CD2 3.75Å; L510-L515 HydrophobicContact CB-CG 3.9Å; L510-L515 HydrophobicContact CD1-CD2 3.78Å; L510-L515 HydrophobicContact CG-CD2 4.41Å; N511-L515 WeakPolarHBondContact O-CG 3.43Å; N511-L515 PolarHBondContact O-N 3.47Å; S512-L515 PolarHBondContact O-N 3.3Å; L515-M517 PolarHBondContact O-N 2.91Å; L515-L518 PolarHBondContact O-N 3.04Å; L515-A519 WeakPolarHBondContact O-CB 3.37Å; L515-A519 PolarHBondContact O-N 3.3Å
516N90.6Very high84.3Confident73 Ų7340 Ų4039%0.3922%0.219SC..Hα-helixtrans-62-42.4176.4-70.1-26.4000111.6S512 L518 A519 E520S512-N516 WeakPolarHBondContact O-CB 3.46Å; S512-N516 PolarHBondContact O-N 3.38Å; S512-N516 PolarHBondContact O-ND2 3.29Å; S512-N516 VanDerWaalsContact O-ND2 3.09Å; N516-L518 VanDerWaalsContact C-N 3.35Å; N516-L518 PolarHBondContact O-N 3.32Å; N516-A519 WeakPolarHBondContact O-CB 3.42Å; N516-A519 PolarHBondContact O-N 3.49Å; N516-E520 WeakPolarHBondContact O-CG 3.45Å; N516-E520 PolarHBondContact O-N 2.65Å
517M92.8Very high82.3Confident10 Ų1044.7 Ų44.75%0.04925%0.251CS..Hα-helixtrans-63.9-40175.8-173.8-85.4-172.600112.1D513 Q514 L515 K521 F577 E601D513-M517 PolarHBondContact O-N 3.47Å; Q514-M517 PolarHBondContact O-N 3.14Å; L515-M517 PolarHBondContact O-N 2.91Å; M517-K521 WeakPolarHBondContact O-CB 3.48Å; M517-K521 PolarHBondContact O-N 3.5Å; M517-F577 HydrophobicContact CB-CB 4.36Å; M517-F577 HydrophobicContact CG-CB 4.5Å; M517-F577 HydrophobicContact SD-CB 3.99Å; M517-F577 HydrophobicContact SD-CD1 4.47Å; M517-E601 HydrophobicContact CE-CG 3.86Å; M517-E601 WeakPolarHBondContact CE-OE2 3.33Å
518L92.4Very high80.8Confident0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-65.3-39.1173.9-69-178.3000112.2L495 L510 Q514 L515 N516 K521 L522 F550 W553 L554 F577L495-L518 HydrophobicContact CD2-CB 3.91Å; L510-L518 HydrophobicContact CD1-CD1 3.52Å; Q514-L518 WeakPolarHBondContact O-CG 3.43Å; Q514-L518 PolarHBondContact O-N 2.78Å; Q514-L518 VanDerWaalsContact O-N 3.1Å; L515-L518 PolarHBondContact O-N 3.04Å; N516-L518 VanDerWaalsContact C-N 3.35Å; N516-L518 PolarHBondContact O-N 3.32Å; L518-K521 PolarHBondContact O-N 3.48Å; L518-L522 WeakPolarHBondContact O-CG 3.4Å; L518-L522 PolarHBondContact O-N 2.98Å; L518-F550 HydrophobicContact CD2-CE2 4.09Å; L518-F550 HydrophobicContact CD2-CZ 4.14Å; L518-W553 HydrophobicContact CD2-CH2 3.87Å; L518-W553 HydrophobicContact CD2-CZ3 3.67Å; L518-L554 HydrophobicContact CD1-CD1 4.44Å; L518-L554 HydrophobicContact CD2-CD1 4.3Å; L518-F577 HydrophobicContact CD2-CD1 3.54Å; L518-F577 HydrophobicContact CD2-CE1 3.77Å; L518-F577 HydrophobicContact CD2-CG 4.18Å; L518-F577 HydrophobicContact CG-CD1 4.15Å; L518-F577 HydrophobicContact CG-CG 4.29Å
519A90.1Very high78.7Confident4 Ų455.9 Ų55.93%0.03331%0.308CS..Hα-helixtrans-59.7-53.8175.700000110.3L491 L495 L515 N516 K521 L522 T523L491-A519 HydrophobicContact CD2-CB 4.33Å; L495-A519 HydrophobicContact CD1-CB 3.66Å; L495-A519 HydrophobicContact CD2-CB 4.46Å; L515-A519 WeakPolarHBondContact O-CB 3.37Å; L515-A519 PolarHBondContact O-N 3.3Å; N516-A519 WeakPolarHBondContact O-CB 3.42Å; N516-A519 PolarHBondContact O-N 3.49Å; A519-K521 VanDerWaalsContact C-N 3.26Å; A519-K521 PolarHBondContact O-N 3.44Å; A519-L522 PolarHBondContact O-N 3.05Å; A519-T523 WeakPolarHBondContact O-CG2 3.38Å; A519-T523 PolarHBondContact O-N 3.09Å; A519-T523 PolarHBondContact O-OG1 3.22Å
520E88.4Confident77Confident99 Ų9961.7 Ų61.746%0.46334%0.339SS..Hα-helixtrans-53-46.1176.1-73.7171.3-168.600111.1N516 L522 T523 V524N516-E520 WeakPolarHBondContact O-CG 3.45Å; N516-E520 PolarHBondContact O-N 2.65Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.07Å; E520-T523 WeakPolarHBondContact CA-OG1 3.35Å; E520-T523 PolarHBondContact O-N 3.03Å; E520-T523 PolarHBondContact O-OG1 2.71Å; E520-V524 WeakPolarHBondContact O-CG2 3.47Å; E520-V524 PolarHBondContact O-N 2.88Å; E520-V524 VanDerWaalsContact O-N 3.12Å
521K88.6Confident76Confident33 Ų3363.6 Ų63.614%0.14336%0.359CS..Hα-helixtrans-62-32.6179.7-168.3172.3-168.263.50113.6M517 L518 A519 W553 E601M517-K521 WeakPolarHBondContact O-CB 3.48Å; M517-K521 PolarHBondContact O-N 3.5Å; L518-K521 PolarHBondContact O-N 3.48Å; A519-K521 VanDerWaalsContact C-N 3.26Å; A519-K521 PolarHBondContact O-N 3.44Å; K521-W553 HydrophobicContact CD-CE3 4.29Å; K521-W553 HydrophobicContact CD-CH2 3.63Å; K521-W553 HydrophobicContact CD-CZ2 4.32Å; K521-W553 HydrophobicContact CD-CZ3 3.62Å; K521-E601 IonicContact NZ-OE2 3.88Å; K521-E601 PolarHBondContact NZ-OE2 3.37Å
522L85.8Confident75.6Confident13 Ų1365.9 Ų65.97%0.06837%0.368CS..Hα-helixtrans-82.7-26.9177-75.8168.6000112.6L491 L518 A519 E520 L533 F550L491-L522 HydrophobicContact CD1-CB 4.39Å; L491-L522 HydrophobicContact CD1-CD1 3.94Å; L518-L522 WeakPolarHBondContact O-CG 3.4Å; L518-L522 PolarHBondContact O-N 2.98Å; A519-L522 PolarHBondContact O-N 3.05Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.07Å; L522-L533 HydrophobicContact CB-CD1 4.4Å; L522-L533 HydrophobicContact CD1-CD2 4.23Å; L522-L533 HydrophobicContact CD2-CD1 4.39Å; L522-L533 HydrophobicContact CD2-CD2 4Å; L522-F550 HydrophobicContact CD1-CE1 4.04Å; L522-F550 HydrophobicContact CD1-CE2 4.09Å; L522-F550 HydrophobicContact CD1-CZ 3.77Å; L522-F550 HydrophobicContact CD2-CB 4.04Å; L522-F550 HydrophobicContact CD2-CD1 3.74Å; L522-F550 HydrophobicContact CD2-CD2 3.55Å; L522-F550 HydrophobicContact CD2-CE1 4.04Å; L522-F550 HydrophobicContact CD2-CE2 3.85Å; L522-F550 HydrophobicContact CD2-CG 3.48Å; L522-F550 VanDerWaalsContact CD2-CG 3.48Å; L522-F550 HydrophobicContact CD2-CZ 4.09Å; L522-F550 HydrophobicContact CG-CD1 4.49Å; L522-F550 HydrophobicContact CG-CD2 3.92Å; L522-F550 HydrophobicContact CG-CE1 4.32Å; L522-F550 HydrophobicContact CG-CE2 3.72Å; L522-F550 HydrophobicContact CG-CG 4.3Å; L522-F550 HydrophobicContact CG-CZ 3.94Å
523T78.4Confident75.5Confident25 Ų2562.3 Ų62.315%0.15334%0.343CS..Hα-helixtrans-98.6-4.9-173.258.80000115.1L491 A519 E520 Q525 S526L491-T523 HydrophobicContact CD2-CG2 3.53Å; A519-T523 WeakPolarHBondContact O-CG2 3.38Å; A519-T523 PolarHBondContact O-N 3.09Å; A519-T523 PolarHBondContact O-OG1 3.22Å; E520-T523 WeakPolarHBondContact CA-OG1 3.35Å; E520-T523 PolarHBondContact O-N 3.03Å; E520-T523 PolarHBondContact O-OG1 2.71Å; T523-Q525 PolarHBondContact O-N 3.39Å; T523-S526 PolarHBondContact O-N 3.34Å
524V64Low75.5Confident110 Ų11061 Ų6167%0.66734%0.338SS*.THydrogen-bonded Turntrans-45.5-19.3-175.8-173.10000115.2E520E520-V524 WeakPolarHBondContact O-CG2 3.47Å; E520-V524 PolarHBondContact O-N 2.88Å; E520-V524 VanDerWaalsContact O-N 3.12Å
525Q53Low75.4Confident132 Ų13261.4 Ų61.462%0.61734%0.339SS*.THydrogen-bonded Turntrans-109.70.5-177.8-66.5-178.3-17.600116.2T523T523-Q525 PolarHBondContact O-N 3.39Å
526S47.2Very low75.3Confident55 Ų5562 Ų6239%0.38535%0.347SS..SBendtrans-140.8127.6-177.1320000110.8T523 Y528 K537T523-S526 PolarHBondContact O-N 3.34Å; S526-Y528 PolarHBondContact O-N 3.26Å; S526-K537 PolarHBondContact OG-NZ 3.28Å
527S45.8Very low75.2Confident99 Ų9961.3 Ų61.369%0.69234%0.34SS*.  trans-38.5134.1162.5-43.50000109S529S527-S529 PolarHBondContact O-N 3.06Å; S527-S529 PolarHBondContact O-OG 3Å
528Y49.4Very low75.1Confident175 Ų17560.8 Ų60.869%0.68634%0.338SS*.THydrogen-bonded Turntrans-55.48.3179.5-114.9-94.4000115S526 D530S526-Y528 PolarHBondContact O-N 3.26Å; Y528-D530 PolarHBondContact O-N 3.5Å
529S46.4Very low75.1Confident92 Ų9261.2 Ų61.264%0.64334%0.341SS*.THydrogen-bonded Turntrans-77.1-20.3-164.548.80000114.6S527S527-S529 PolarHBondContact O-N 3.06Å; S527-S529 PolarHBondContact O-OG 3Å
530D54.3Low75Confident123 Ų12364.7 Ų64.766%0.65836%0.355SS*.SBendtrans-136.9106.9167.7-74.7-48.1000108.6Y528 H532Y528-D530 PolarHBondContact O-N 3.5Å; D530-H532 PolarHBondContact O-N 2.91Å
531G70.5Confident75.1Confident41 Ų4164 Ų6442%0.42335%0.352SS..  trans-67.741.5-178.400000114.6T490 L491T490-G531 CarbonylContact C-O 3.43Å; T490-G531 WeakPolarHBondContact CA-O 3.39Å; L491-G531 WeakPolarHBondContact CB-O 3.46Å; L491-G531 PolarHBondContact N-O 3.4Å
532H81.7Confident75.1Confident105 Ų10568 Ų6849%0.48637%0.371SS..EExtended strand (participates in β ladder)trans-115.5134.8-176.9-66.792.1000110.4P488 A489 D530P488-H532 HydrophobicContact CB-CB 4.19Å; A489-H532 CarbonylContact O-C 3.55Å; A489-H532 WeakPolarHBondContact O-CA 3.18Å; D530-H532 PolarHBondContact O-N 2.91Å
533L88.3Confident75.1Confident7 Ų768.2 Ų68.24%0.03737%0.372CS..EExtended strand (participates in β ladder)trans-113.4137.5178.2-169.275000109.8W469 P488 A489 L494 L522 K537 F538W469-L533 HydrophobicContact CH2-CB 4.25Å; W469-L533 HydrophobicContact CH2-CD2 4.22Å; W469-L533 HydrophobicContact CH2-CG 4.29Å; W469-L533 VanDerWaalsContact CH2-O 3.3Å; W469-L533 WeakPolarHBondContact CH2-O 3.42Å; W469-L533 VanDerWaalsContact CZ2-O 3.26Å; W469-L533 WeakPolarHBondContact CZ2-O 3.19Å; W469-L533 HydrophobicContact CZ3-CD2 4.34Å; P488-L533 CarbonylContact C-O 3.54Å; P488-L533 VanDerWaalsContact CA-O 3.24Å; P488-L533 WeakPolarHBondContact CA-O 3.46Å; P488-L533 WeakPolarHBondContact CB-O 3.39Å; A489-L533 PolarHBondContact N-O 2.93Å; A489-L533 PolarHBondContact O-N 3.46Å; L494-L533 HydrophobicContact CD2-CD2 3.33Å; L522-L533 HydrophobicContact CB-CD1 4.4Å; L522-L533 HydrophobicContact CD1-CD2 4.23Å; L522-L533 HydrophobicContact CD2-CD1 4.39Å; L522-L533 HydrophobicContact CD2-CD2 4Å; L533-K537 HydrophobicContact CD1-CB 3.84Å; L533-K537 HydrophobicContact CD1-CD 4.07Å; L533-K537 HydrophobicContact CG-CB 4.35Å; L533-F538 HydrophobicContact CD2-CB 4.02Å; L533-F538 HydrophobicContact CD2-CD2 4.23Å
534T91.3Very high75.4Confident63 Ų6370.8 Ų70.839%0.38739%0.389SS..  trans-86.6153.6175.762.30000111.5W469 A536 K537 F538W469-T534 VanDerWaalsContact CZ2-C 3.48Å; T534-A536 PolarHBondContact O-N 3.25Å; T534-K537 PolarHBondContact O-N 3.3Å; T534-K537 PolarHBondContact OG1-N 2.74Å; T534-F538 PolarHBondContact O-N 3.2Å
535W92.4Very high76.2Confident12 Ų1269.4 Ų69.45%0.04540%0.397CS..Hα-helixtrans-55.2-38.4174.2170.6-121000112.1E424 A465 W469 F483 P486 F538 C539E424-W535 HydrophobicContact CG-CZ2 4.41Å; E424-W535 PolarHBondContact OE1-NE1 3.04Å; A465-W535 HydrophobicContact CB-CH2 3.75Å; A465-W535 HydrophobicContact CB-CZ3 4.04Å; A465-W535 WeakPolarHBondContact O-CZ3 3.32Å; W469-W535 HydrophobicContact CB-CE3 3.65Å; W469-W535 HydrophobicContact CB-CZ3 3.61Å; W469-W535 HydrophobicContact CD2-CB 4.41Å; W469-W535 HydrophobicContact CD2-CD2 4.47Å; W469-W535 AromaticContact CD2-CE3 3.54Å; W469-W535 HydrophobicContact CD2-CE3 3.54Å; W469-W535 HydrophobicContact CD2-CZ3 4.25Å; W469-W535 AromaticContact CE3-CE3 3.85Å; W469-W535 HydrophobicContact CE3-CE3 3.85Å; W469-W535 HydrophobicContact CE3-CZ3 4.33Å; W469-W535 HydrophobicContact CG-CD2 4.28Å; W469-W535 AromaticContact CG-CE3 3.44Å; W469-W535 HydrophobicContact CG-CE3 3.44Å; W469-W535 VanDerWaalsContact CG-CE3 3.44Å; W469-W535 AromaticContact CG-CZ3 3.95Å; W469-W535 HydrophobicContact CG-CZ3 3.95Å; W469-W535 HydrophobicContact CZ2-CB 4.18Å; F483-W535 HydrophobicContact CD1-CD2 4.43Å; F483-W535 HydrophobicContact CD1-CZ2 4.44Å; F483-W535 AromaticContact CD1-NE1 3.84Å; F483-W535 AromaticContact CE1-CD2 3.93Å; F483-W535 HydrophobicContact CE1-CD2 3.93Å; F483-W535 AromaticContact CE1-CE2 3.69Å; F483-W535 HydrophobicContact CE1-CE3 4.32Å; F483-W535 HydrophobicContact CE1-CG 4.39Å; F483-W535 HydrophobicContact CE1-CH2 4.27Å; F483-W535 AromaticContact CE1-CZ2 3.88Å; F483-W535 HydrophobicContact CE1-CZ2 3.88Å; F483-W535 HydrophobicContact CE1-CZ3 4.47Å; F483-W535 AromaticContact CE1-NE1 4Å; P486-W535 HydrophobicContact CB-CB 3.87Å; P486-W535 HydrophobicContact CB-CG 4.28Å; P486-W535 HydrophobicContact CG-CB 3.71Å; P486-W535 HydrophobicContact CG-CG 4.06Å; W535-F538 HydrophobicContact CE3-CD1 4.05Å; W535-F538 AromaticContact CZ3-CD1 3.8Å; W535-F538 HydrophobicContact CZ3-CD1 3.8Å; W535-F538 HydrophobicContact CZ3-CE1 4.27Å; W535-F538 PolarHBondContact O-N 3.38Å; W535-C539 HydrophobicContact CD2-CB 4.38Å; W535-C539 HydrophobicContact CE3-CB 4.08Å; W535-C539 HydrophobicContact CH2-CB 3.58Å; W535-C539 HydrophobicContact CZ2-CB 3.88Å; W535-C539 HydrophobicContact CZ3-CB 3.69Å; W535-C539 PolarHBondContact O-N 3.23Å
536A90.4Very high77.9Confident32 Ų3266.4 Ų66.426%0.26438%0.382SS..Iπ-helixtrans-60.7-49.8-179.300000111.8T534 F538 C539 K540 E541T534-A536 PolarHBondContact O-N 3.25Å; A536-F538 VanDerWaalsContact C-N 3.26Å; A536-F538 PolarHBondContact O-N 2.8Å; A536-C539 PolarHBondContact O-N 3.02Å; A536-K540 HydrophobicContact CB-CB 4.38Å; A536-K540 CarbonylContact O-C 3.54Å; A536-K540 WeakPolarHBondContact O-CA 3.25Å; A536-K540 WeakPolarHBondContact O-CB 3.45Å; A536-K540 PolarHBondContact O-N 3.07Å; A536-E541 HydrophobicContact CB-CG 4.18Å; A536-E541 VanDerWaalsContact CB-OE1 3.3Å; A536-E541 WeakPolarHBondContact CB-OE1 3.38Å; A536-E541 PolarHBondContact O-N 3.38Å
537K88.8Confident79.9Confident57 Ų5768.7 Ų68.725%0.24840%0.398CS..Iπ-helixtrans-60.7-33.8176.7-76.2-176.2172.5-1760113.3S526 L533 T534 E541S526-K537 PolarHBondContact OG-NZ 3.28Å; L533-K537 HydrophobicContact CD1-CB 3.84Å; L533-K537 HydrophobicContact CD1-CD 4.07Å; L533-K537 HydrophobicContact CG-CB 4.35Å; T534-K537 PolarHBondContact O-N 3.3Å; T534-K537 PolarHBondContact OG1-N 2.74Å; K537-E541 WeakPolarHBondContact CG-OE2 3.48Å
538F90.9Very high82Confident0 Ų064.7 Ų64.70%037%0.369CS..Iπ-helixtrans-74.4-45.6-178.4-178.1-110.3000113A465 W469 L494 M498 L533 T534 W535 A536 F550 W551A465-F538 HydrophobicContact CB-CE1 4.04Å; W469-F538 HydrophobicContact CE3-CB 4.15Å; W469-F538 AromaticContact CE3-CD1 3.65Å; W469-F538 HydrophobicContact CE3-CD1 3.65Å; W469-F538 HydrophobicContact CE3-CE1 4.2Å; W469-F538 AromaticContact CE3-CG 3.93Å; W469-F538 HydrophobicContact CE3-CG 3.93Å; W469-F538 HydrophobicContact CH2-CB 4.11Å; W469-F538 HydrophobicContact CZ3-CB 3.54Å; W469-F538 AromaticContact CZ3-CD1 3.83Å; W469-F538 HydrophobicContact CZ3-CD1 3.83Å; W469-F538 HydrophobicContact CZ3-CD2 4.18Å; W469-F538 AromaticContact CZ3-CG 3.59Å; W469-F538 HydrophobicContact CZ3-CG 3.59Å; L494-F538 HydrophobicContact CD1-CE2 4.2Å; L494-F538 HydrophobicContact CD1-CZ 4.39Å; L494-F538 HydrophobicContact CD2-CD2 3.8Å; L494-F538 HydrophobicContact CD2-CE2 4.03Å; L494-F538 HydrophobicContact CG-CE2 4.4Å; M498-F538 HydrophobicContact CE-CE2 4.18Å; M498-F538 HydrophobicContact CE-CZ 3.93Å; M498-F538 HydrophobicContact SD-CE2 3.99Å; M498-F538 HydrophobicContact SD-CZ 4.15Å; L533-F538 HydrophobicContact CD2-CB 4.02Å; L533-F538 HydrophobicContact CD2-CD2 4.23Å; T534-F538 PolarHBondContact O-N 3.2Å; W535-F538 HydrophobicContact CE3-CD1 4.05Å; W535-F538 AromaticContact CZ3-CD1 3.8Å; W535-F538 HydrophobicContact CZ3-CD1 3.8Å; W535-F538 HydrophobicContact CZ3-CE1 4.27Å; W535-F538 PolarHBondContact O-N 3.38Å; A536-F538 VanDerWaalsContact C-N 3.26Å; A536-F538 PolarHBondContact O-N 2.8Å; F538-F550 AromaticContact CD2-CD1 3.81Å; F538-F550 HydrophobicContact CD2-CD1 3.81Å; F538-F550 HydrophobicContact CD2-CE1 4.17Å; F538-F550 AromaticContact CE2-CD1 3.88Å; F538-F550 HydrophobicContact CE2-CD1 3.88Å; F538-F550 AromaticContact CE2-CE1 3.9Å; F538-F550 HydrophobicContact CE2-CE1 3.9Å; F538-W551 HydrophobicContact CE1-CB 4.22Å; F538-W551 HydrophobicContact CE1-CD2 4.28Å; F538-W551 HydrophobicContact CE1-CE3 4.11Å; F538-W551 HydrophobicContact CE1-CG 4.34Å; F538-W551 HydrophobicContact CE2-CE3 4.2Å; F538-W551 HydrophobicContact CZ-CB 4.3Å; F538-W551 HydrophobicContact CZ-CD2 4.07Å; F538-W551 AromaticContact CZ-CE3 3.46Å; F538-W551 HydrophobicContact CZ-CE3 3.46Å; F538-W551 VanDerWaalsContact CZ-CE3 3.46Å; F538-W551 HydrophobicContact CZ-CG 4.43Å; F538-W551 HydrophobicContact CZ-CZ3 4.14Å; F538-W551 WeakPolarHBondContact O-CB 3.27Å; F538-W551 PolarHBondContact O-N 3.24Å; F538-W551 VanDerWaalsContact O-N 3.11Å
539C91Very high84.1Confident9 Ų956.9 Ų56.96%0.06134%0.339CS..Iπ-helixtrans-133.2-6.7-166.6-1610000116.2A465 W535 A536 T549 W551A465-C539 HydrophobicContact CB-CB 4.42Å; W535-C539 HydrophobicContact CD2-CB 4.38Å; W535-C539 HydrophobicContact CE3-CB 4.08Å; W535-C539 HydrophobicContact CH2-CB 3.58Å; W535-C539 HydrophobicContact CZ2-CB 3.88Å; W535-C539 HydrophobicContact CZ3-CB 3.69Å; W535-C539 PolarHBondContact O-N 3.23Å; A536-C539 PolarHBondContact O-N 3.02Å; C539-T549 WeakPolarHBondContact O-CG2 3.43Å; C539-W551 HydrophobicContact CB-CB 4.44Å
540K88.5Confident86.4Confident76 Ų7652.5 Ų52.533%0.3331%0.308SS..Iπ-helixtrans-113.9-45.6-178.1-63.7-79.1-177.6153.10113.7M421 E424 A536M421-K540 HydrophobicContact CE-CD 4.14Å; M421-K540 VanDerWaalsContact CE-CE 3.49Å; M421-K540 HydrophobicContact SD-CD 4.36Å; M421-K540 PolarHBondContact SD-NZ 2.94Å; E424-K540 WeakPolarHBondContact OE1-CE 3.48Å; E424-K540 IonicContact OE1-NZ 3.89Å; E424-K540 PolarHBondContact OE1-NZ 3.33Å; E424-K540 IonicContact OE2-NZ 2.78Å; E424-K540 PolarHBondContact OE2-NZ 2.7Å; A536-K540 HydrophobicContact CB-CB 4.38Å; A536-K540 CarbonylContact O-C 3.54Å; A536-K540 WeakPolarHBondContact O-CA 3.25Å; A536-K540 WeakPolarHBondContact O-CB 3.45Å; A536-K540 PolarHBondContact O-N 3.07Å
541E89.9Confident88.3Confident85 Ų8546.6 Ų46.640%0.39728%0.277SS..SBendtrans-78137.8-176.7-67.2172.2-158.600110.1A536 K537 T549A536-E541 HydrophobicContact CB-CG 4.18Å; A536-E541 VanDerWaalsContact CB-OE1 3.3Å; A536-E541 WeakPolarHBondContact CB-OE1 3.38Å; A536-E541 PolarHBondContact O-N 3.38Å; K537-E541 WeakPolarHBondContact CG-OE2 3.48Å; E541-T549 WeakPolarHBondContact O-CA 3.34Å; E541-T549 WeakPolarHBondContact O-CG2 3.35Å
542H89.4Confident89.5Confident118 Ų11846.8 Ų46.855%0.54627%0.27SS..BIsolated β-bridgetrans-73.4144.5173.5-64.3144.9000110.6K546 S547 F548H542-K546 WeakPolarHBondContact CB-O 3.2Å; H542-S547 PolarHBondContact NE2-O 2.91Å; H542-F548 WeakPolarHBondContact CA-O 3.48Å
543L86.4Confident90.1Very high17 Ų1741.9 Ų41.99%0.08925%0.247CC..PPolyproline II helixtrans-62.3149.2172.7-71.7171.5000110.6G545 K546 F548 F550L543-G545 PolarHBondContact O-N 2.96Å; L543-G545 VanDerWaalsContact O-N 3.14Å; L543-K546 HydrophobicContact CB-CB 4.01Å; L543-K546 HydrophobicContact CB-CG 4.04Å; L543-K546 PolarHBondContact O-N 3.33Å; L543-F548 HydrophobicContact CD1-CD2 4.32Å; L543-F548 HydrophobicContact CD1-CE2 4.01Å; L543-F548 PolarHBondContact N-O 2.73Å; L543-F550 HydrophobicContact CD2-CB 4.19Å; L543-F550 HydrophobicContact CG-CB 4.49Å
544P83.9Confident90.4Very high78 Ų7841.5 Ų41.551%0.50625%0.245SC..THydrogen-bonded Turntrans-52.9121.2-179-27.334.7000112.5K546P544-K546 VanDerWaalsContact C-N 3.28Å; P544-K546 PolarHBondContact O-N 3.2Å
545G81.3Confident90.6Very high82 Ų8240.3 Ų40.385%0.84524%0.235SC*.THydrogen-bonded Turntrans69.219.3-179.200000115L543L543-G545 PolarHBondContact O-N 2.96Å; L543-G545 VanDerWaalsContact O-N 3.14Å
546K87.6Confident90.7Very high69 Ų6940.7 Ų40.730%0.324%0.241SC..  trans-125.2159.1177.6-54.7-61.7170.4-161.10111.2H542 L543 P544 F548 E601 S602H542-K546 WeakPolarHBondContact CB-O 3.2Å; L543-K546 HydrophobicContact CB-CB 4.01Å; L543-K546 HydrophobicContact CB-CG 4.04Å; L543-K546 PolarHBondContact O-N 3.33Å; P544-K546 VanDerWaalsContact C-N 3.28Å; P544-K546 PolarHBondContact O-N 3.2Å; K546-F548 HydrophobicContact CB-CD1 4.32Å; K546-F548 HydrophobicContact CB-CD2 4.37Å; K546-F548 HydrophobicContact CB-CE1 4.09Å; K546-F548 HydrophobicContact CB-CE2 4.15Å; K546-F548 HydrophobicContact CB-CG 4.47Å; K546-F548 HydrophobicContact CB-CZ 4.01Å; K546-F548 HydrophobicContact CD-CE1 4.24Å; K546-F548 HydrophobicContact CD-CZ 3.98Å; K546-F548 HydrophobicContact CG-CE1 4.43Å; K546-F548 HydrophobicContact CG-CE2 4.27Å; K546-F548 HydrophobicContact CG-CZ 3.99Å; K546-E601 WeakPolarHBondContact CE-O 2.97Å; K546-S602 PolarHBondContact NZ-OG 2.92Å
547S88.9Confident91Very high103 Ų10339.1 Ų39.172%0.7223%0.228SC*.SBendtrans-98.112.9179.157.40000113.6H542H542-S547 PolarHBondContact NE2-O 2.91Å
548F91.8Very high91.3Very high15 Ų1536.4 Ų36.47%0.06622%0.216CC..SBendtrans-139.2156.4-174.353.4-103.8000111.3H542 L543 K546 W553 L604H542-F548 WeakPolarHBondContact CA-O 3.48Å; L543-F548 HydrophobicContact CD1-CD2 4.32Å; L543-F548 HydrophobicContact CD1-CE2 4.01Å; L543-F548 PolarHBondContact N-O 2.73Å; K546-F548 HydrophobicContact CB-CD1 4.32Å; K546-F548 HydrophobicContact CB-CD2 4.37Å; K546-F548 HydrophobicContact CB-CE1 4.09Å; K546-F548 HydrophobicContact CB-CE2 4.15Å; K546-F548 HydrophobicContact CB-CG 4.47Å; K546-F548 HydrophobicContact CB-CZ 4.01Å; K546-F548 HydrophobicContact CD-CE1 4.24Å; K546-F548 HydrophobicContact CD-CZ 3.98Å; K546-F548 HydrophobicContact CG-CE1 4.43Å; K546-F548 HydrophobicContact CG-CE2 4.27Å; K546-F548 HydrophobicContact CG-CZ 3.99Å; F548-W553 HydrophobicContact CD2-CB 3.69Å; F548-W553 HydrophobicContact CD2-CG 4.42Å; F548-W553 HydrophobicContact CE2-CB 3.63Å; F548-W553 AromaticContact CE2-CD1 3.79Å; F548-W553 AromaticContact CE2-CG 3.86Å; F548-W553 HydrophobicContact CE2-CG 3.86Å; F548-L604 HydrophobicContact CB-CD1 4.3Å; F548-L604 HydrophobicContact CB-CD2 3.85Å; F548-L604 HydrophobicContact CB-CG 4.35Å; F548-L604 HydrophobicContact CD1-CD1 4.28Å; F548-L604 HydrophobicContact CD1-CD2 3.74Å; F548-L604 HydrophobicContact CD1-CG 3.73Å; F548-L604 HydrophobicContact CD2-CD2 3.75Å; F548-L604 HydrophobicContact CE1-CD2 4.17Å; F548-L604 HydrophobicContact CE1-CG 4.12Å; F548-L604 HydrophobicContact CE2-CD2 4.18Å; F548-L604 HydrophobicContact CG-CD1 4.46Å; F548-L604 HydrophobicContact CG-CD2 3.5Å; F548-L604 HydrophobicContact CG-CG 4Å; F548-L604 HydrophobicContact CZ-CD2 4.37Å
549T93.4Very high91.5Very high10 Ų1037.8 Ų37.86%0.06122%0.223CC..BIsolated β-bridgetrans-82.9163.5179.568.50000111.3C539 E541 W551 T552 W553C539-T549 WeakPolarHBondContact O-CG2 3.43Å; E541-T549 WeakPolarHBondContact O-CA 3.34Å; E541-T549 WeakPolarHBondContact O-CG2 3.35Å; T549-W551 PolarHBondContact O-N 2.78Å; T549-T552 PolarHBondContact O-N 3.38Å; T549-T552 PolarHBondContact OG1-N 3.4Å; T549-T552 PolarHBondContact OG1-OG1 3.35Å; T549-W553 PolarHBondContact O-N 3.06Å; T549-W553 VanDerWaalsContact O-N 3.16Å
550F93.9Very high91.7Very high0 Ų037.5 Ų37.50%022%0.221CC..Hα-helixtrans-56.5-49.9177.1173.7-94000111.9L518 L522 F538 L543 T552 W553 L554L518-F550 HydrophobicContact CD2-CE2 4.09Å; L518-F550 HydrophobicContact CD2-CZ 4.14Å; L522-F550 HydrophobicContact CD1-CE1 4.04Å; L522-F550 HydrophobicContact CD1-CE2 4.09Å; L522-F550 HydrophobicContact CD1-CZ 3.77Å; L522-F550 HydrophobicContact CD2-CB 4.04Å; L522-F550 HydrophobicContact CD2-CD1 3.74Å; L522-F550 HydrophobicContact CD2-CD2 3.55Å; L522-F550 HydrophobicContact CD2-CE1 4.04Å; L522-F550 HydrophobicContact CD2-CE2 3.85Å; L522-F550 HydrophobicContact CD2-CG 3.48Å; L522-F550 VanDerWaalsContact CD2-CG 3.48Å; L522-F550 HydrophobicContact CD2-CZ 4.09Å; L522-F550 HydrophobicContact CG-CD1 4.49Å; L522-F550 HydrophobicContact CG-CD2 3.92Å; L522-F550 HydrophobicContact CG-CE1 4.32Å; L522-F550 HydrophobicContact CG-CE2 3.72Å; L522-F550 HydrophobicContact CG-CG 4.3Å; L522-F550 HydrophobicContact CG-CZ 3.94Å; F538-F550 AromaticContact CD2-CD1 3.81Å; F538-F550 HydrophobicContact CD2-CD1 3.81Å; F538-F550 HydrophobicContact CD2-CE1 4.17Å; F538-F550 AromaticContact CE2-CD1 3.88Å; F538-F550 HydrophobicContact CE2-CD1 3.88Å; F538-F550 AromaticContact CE2-CE1 3.9Å; F538-F550 HydrophobicContact CE2-CE1 3.9Å; L543-F550 HydrophobicContact CD2-CB 4.19Å; L543-F550 HydrophobicContact CG-CB 4.49Å; F550-T552 PolarHBondContact O-N 3.12Å; F550-W553 HydrophobicContact CD2-CE3 4.14Å; F550-W553 HydrophobicContact CD2-CZ3 4.23Å; F550-W553 HydrophobicContact CE2-CE3 4.15Å; F550-W553 AromaticContact CE2-CZ3 3.83Å; F550-W553 HydrophobicContact CE2-CZ3 3.83Å; F550-W553 WeakPolarHBondContact O-CB 3.29Å; F550-W553 PolarHBondContact O-N 3Å; F550-L554 HydrophobicContact CE1-CD2 4.05Å; F550-L554 HydrophobicContact CZ-CD2 4.27Å; F550-L554 PolarHBondContact O-N 3.41Å
551W94.9Very high92Very high0 Ų033.9 Ų33.90%021%0.205CC..Hα-helixtrans-62.1-43.8-179.2175.2-108000113.1P461 W464 A465 I468 M498 Q501 F538 C539 T549 W553 L554 E555P461-W551 PolarHBondContact O-NE1 2.93Å; W464-W551 HydrophobicContact CB-CZ2 4.48Å; W464-W551 AromaticContact CD1-CH2 3.74Å; W464-W551 AromaticContact CD1-CZ2 3.57Å; W464-W551 HydrophobicContact CG-CZ2 4.35Å; A465-W551 HydrophobicContact CB-CD2 4.01Å; A465-W551 HydrophobicContact CB-CG 3.81Å; I468-W551 HydrophobicContact CD1-CH2 3.45Å; I468-W551 VanDerWaalsContact CD1-CH2 3.45Å; I468-W551 HydrophobicContact CD1-CZ2 4.09Å; I468-W551 HydrophobicContact CD1-CZ3 3.86Å; M498-W551 HydrophobicContact CE-CZ3 4.15Å; M498-W551 HydrophobicContact SD-CE3 4.3Å; M498-W551 HydrophobicContact SD-CZ3 3.95Å; Q501-W551 HydrophobicContact CG-CH2 4.44Å; F538-W551 HydrophobicContact CE1-CB 4.22Å; F538-W551 HydrophobicContact CE1-CD2 4.28Å; F538-W551 HydrophobicContact CE1-CE3 4.11Å; F538-W551 HydrophobicContact CE1-CG 4.34Å; F538-W551 HydrophobicContact CE2-CE3 4.2Å; F538-W551 HydrophobicContact CZ-CB 4.3Å; F538-W551 HydrophobicContact CZ-CD2 4.07Å; F538-W551 AromaticContact CZ-CE3 3.46Å; F538-W551 HydrophobicContact CZ-CE3 3.46Å; F538-W551 VanDerWaalsContact CZ-CE3 3.46Å; F538-W551 HydrophobicContact CZ-CG 4.43Å; F538-W551 HydrophobicContact CZ-CZ3 4.14Å; F538-W551 WeakPolarHBondContact O-CB 3.27Å; F538-W551 PolarHBondContact O-N 3.24Å; F538-W551 VanDerWaalsContact O-N 3.11Å; C539-W551 HydrophobicContact CB-CB 4.44Å; T549-W551 PolarHBondContact O-N 2.78Å; W551-W553 PolarHBondContact O-N 2.77Å; W551-L554 HydrophobicContact CE3-CD2 4.43Å; W551-L554 HydrophobicContact CZ3-CD2 4.36Å; W551-L554 PolarHBondContact O-N 2.99Å; W551-L554 VanDerWaalsContact O-N 3.17Å; W551-E555 HydrophobicContact CZ2-CB 4.45Å; W551-E555 WeakPolarHBondContact O-CB 3.43Å; W551-E555 PolarHBondContact O-N 3.36Å
552T94.1Very high92.1Very high45 Ų4533.6 Ų33.628%0.27620%0.203SC..Hα-helixtrans-59.5-38.5178.2-53.70000111.4T549 F550 A556 L604T549-T552 PolarHBondContact O-N 3.38Å; T549-T552 PolarHBondContact OG1-N 3.4Å; T549-T552 PolarHBondContact OG1-OG1 3.35Å; F550-T552 PolarHBondContact O-N 3.12Å; T552-A556 WeakPolarHBondContact O-CB 3.28Å; T552-A556 PolarHBondContact O-N 2.95Å; T552-A556 VanDerWaalsContact O-N 3.14Å; T552-L604 HydrophobicContact CG2-CD1 4.43Å; T552-L604 HydrophobicContact CG2-CD2 4.22Å
553W95.1Very high92.2Very high1 Ų133.4 Ų33.40%0.00420%0.201CC..Hα-helixtrans-66.3-46.3175.6169.273000112.6L518 K521 F548 T549 F550 W551 A556 I557 F577 S600 E601 L604L518-W553 HydrophobicContact CD2-CH2 3.87Å; L518-W553 HydrophobicContact CD2-CZ3 3.67Å; K521-W553 HydrophobicContact CD-CE3 4.29Å; K521-W553 HydrophobicContact CD-CH2 3.63Å; K521-W553 HydrophobicContact CD-CZ2 4.32Å; K521-W553 HydrophobicContact CD-CZ3 3.62Å; F548-W553 HydrophobicContact CD2-CB 3.69Å; F548-W553 HydrophobicContact CD2-CG 4.42Å; F548-W553 HydrophobicContact CE2-CB 3.63Å; F548-W553 AromaticContact CE2-CD1 3.79Å; F548-W553 AromaticContact CE2-CG 3.86Å; F548-W553 HydrophobicContact CE2-CG 3.86Å; T549-W553 PolarHBondContact O-N 3.06Å; T549-W553 VanDerWaalsContact O-N 3.16Å; F550-W553 HydrophobicContact CD2-CE3 4.14Å; F550-W553 HydrophobicContact CD2-CZ3 4.23Å; F550-W553 HydrophobicContact CE2-CE3 4.15Å; F550-W553 AromaticContact CE2-CZ3 3.83Å; F550-W553 HydrophobicContact CE2-CZ3 3.83Å; F550-W553 WeakPolarHBondContact O-CB 3.29Å; F550-W553 PolarHBondContact O-N 3Å; W551-W553 PolarHBondContact O-N 2.77Å; W553-A556 PolarHBondContact O-N 3.35Å; W553-I557 HydrophobicContact CD2-CD1 3.99Å; W553-I557 VanDerWaalsContact CE2-CD1 3.42Å; W553-I557 HydrophobicContact CG-CD1 4.48Å; W553-I557 HydrophobicContact CH2-CD1 4.18Å; W553-I557 HydrophobicContact CZ2-CD1 3.55Å; W553-I557 WeakPolarHBondContact O-CG1 3.39Å; W553-I557 PolarHBondContact O-N 3.22Å; W553-F577 AromaticContact CH2-CD1 3.81Å; W553-F577 HydrophobicContact CH2-CD1 3.81Å; W553-F577 AromaticContact CH2-CE1 3.68Å; W553-F577 HydrophobicContact CH2-CE1 3.68Å; W553-F577 HydrophobicContact CZ2-CD1 4.43Å; W553-F577 HydrophobicContact CZ2-CE1 4.22Å; W553-F577 HydrophobicContact CZ3-CE1 4.23Å; W553-S600 PolarHBondContact NE1-O 3.5Å; W553-E601 HydrophobicContact CZ2-CG 4.4Å; W553-L604 HydrophobicContact CB-CD2 4.11Å
554L95.7Very high92.5Very high0 Ų034.7 Ų34.70%021%0.206CC..Hα-helixtrans-66.9-39.7-179.5-167.469.5000112M498 F502 L518 F550 W551 I557 L558 F577M498-L554 HydrophobicContact CB-CD2 4.47Å; M498-L554 HydrophobicContact CG-CD2 4.12Å; M498-L554 HydrophobicContact SD-CD2 3.36Å; M498-L554 WeakPolarHBondContact SD-CD2 3.39Å; F502-L554 HydrophobicContact CE2-CD1 3.8Å; F502-L554 HydrophobicContact CE2-CD2 4.31Å; F502-L554 HydrophobicContact CE2-CG 4.07Å; F502-L554 HydrophobicContact CZ-CD1 3.75Å; F502-L554 HydrophobicContact CZ-CG 4.27Å; L518-L554 HydrophobicContact CD1-CD1 4.44Å; L518-L554 HydrophobicContact CD2-CD1 4.3Å; F550-L554 HydrophobicContact CE1-CD2 4.05Å; F550-L554 HydrophobicContact CZ-CD2 4.27Å; F550-L554 PolarHBondContact O-N 3.41Å; W551-L554 HydrophobicContact CE3-CD2 4.43Å; W551-L554 HydrophobicContact CZ3-CD2 4.36Å; W551-L554 PolarHBondContact O-N 2.99Å; W551-L554 VanDerWaalsContact O-N 3.17Å; L554-I557 WeakPolarHBondContact O-CB 3.46Å; L554-I557 PolarHBondContact O-N 2.87Å; L554-L558 PolarHBondContact O-N 3.18Å; L554-F577 HydrophobicContact CD1-CE1 3.82Å; L554-F577 HydrophobicContact CD1-CZ 3.68Å
555E94.8Very high92.9Very high37 Ų3731 Ų3117%0.17318%0.182CC..Hα-helixtrans-63.2-44.6175.9-165.5-76.4166.200111.2P461 W551 I557 L558 D559P461-E555 HydrophobicContact CB-CG 3.94Å; P461-E555 HydrophobicContact CG-CG 4.28Å; W551-E555 HydrophobicContact CZ2-CB 4.45Å; W551-E555 WeakPolarHBondContact O-CB 3.43Å; W551-E555 PolarHBondContact O-N 3.36Å; E555-I557 PolarHBondContact O-N 3.18Å; E555-L558 WeakPolarHBondContact O-CA 3.46Å; E555-L558 WeakPolarHBondContact O-CB 3.48Å; E555-L558 PolarHBondContact O-N 2.58Å; E555-D559 PolarHBondContact O-N 3.37Å
556A95Very high93.4Very high20 Ų2028.4 Ų28.417%0.16515%0.149CC..Hα-helixtrans-61.2-31.1178.500000112T552 W553 L560 L604 G605T552-A556 WeakPolarHBondContact O-CB 3.28Å; T552-A556 PolarHBondContact O-N 2.95Å; T552-A556 VanDerWaalsContact O-N 3.14Å; W553-A556 PolarHBondContact O-N 3.35Å; A556-L560 WeakPolarHBondContact O-CB 3.46Å; A556-L560 PolarHBondContact O-N 3.13Å; A556-L604 HydrophobicContact CB-CB 4.2Å; A556-L604 HydrophobicContact CB-CD2 4.45Å; A556-G605 WeakPolarHBondContact O-CA 3.44Å
557I96.3Very high93.4Very high0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-68.9-45.8171.5-70.6168.3000111.1F502 W553 L554 E555 D559 L560 I561 F577 F599F502-I557 HydrophobicContact CE1-CG2 4.35Å; F502-I557 HydrophobicContact CZ-CG2 4.41Å; W553-I557 HydrophobicContact CD2-CD1 3.99Å; W553-I557 VanDerWaalsContact CE2-CD1 3.42Å; W553-I557 HydrophobicContact CG-CD1 4.48Å; W553-I557 HydrophobicContact CH2-CD1 4.18Å; W553-I557 HydrophobicContact CZ2-CD1 3.55Å; W553-I557 WeakPolarHBondContact O-CG1 3.39Å; W553-I557 PolarHBondContact O-N 3.22Å; L554-I557 WeakPolarHBondContact O-CB 3.46Å; L554-I557 PolarHBondContact O-N 2.87Å; E555-I557 PolarHBondContact O-N 3.18Å; I557-D559 VanDerWaalsContact C-N 3.3Å; I557-D559 PolarHBondContact O-N 3.16Å; I557-L560 WeakPolarHBondContact O-CB 3.42Å; I557-L560 PolarHBondContact O-N 3.23Å; I557-I561 HydrophobicContact CG2-CD1 3.83Å; I557-I561 HydrophobicContact CG2-CG1 4.34Å; I557-I561 VanDerWaalsContact O-CG1 3.29Å; I557-I561 WeakPolarHBondContact O-CG1 3.46Å; I557-I561 PolarHBondContact O-N 3.03Å; I557-F577 HydrophobicContact CD1-CE1 3.84Å; I557-F577 HydrophobicContact CD1-CZ 4.27Å; I557-F577 HydrophobicContact CG2-CZ 4.02Å; I557-F599 HydrophobicContact CD1-CB 3.65Å; I557-F599 HydrophobicContact CD1-CD2 4.21Å; I557-F599 HydrophobicContact CD1-CG 3.95Å; I557-F599 HydrophobicContact CG1-CB 4.1Å; I557-F599 HydrophobicContact CG1-CD1 4.34Å; I557-F599 HydrophobicContact CG1-CG 4.07Å; I557-F599 HydrophobicContact CG2-CD1 3.88Å; I557-F599 HydrophobicContact CG2-CD2 3.52Å; I557-F599 HydrophobicContact CG2-CE1 3.9Å; I557-F599 HydrophobicContact CG2-CE2 3.52Å; I557-F599 HydrophobicContact CG2-CG 3.73Å; I557-F599 HydrophobicContact CG2-CZ 3.74Å
558L95.1Very high93.5Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-58.2-42.3175.6-77.8169.2000111.7Q501 F502 Y505 V506 L554 E555 I561 K562Q501-L558 HydrophobicContact CB-CD1 4.02Å; F502-L558 HydrophobicContact CB-CD2 4.4Å; F502-L558 HydrophobicContact CD1-CD2 3.61Å; F502-L558 HydrophobicContact CD2-CD2 3.83Å; F502-L558 HydrophobicContact CD2-CG 4.49Å; F502-L558 HydrophobicContact CE1-CD2 3.63Å; F502-L558 HydrophobicContact CE1-CG 4.18Å; F502-L558 HydrophobicContact CE2-CD1 4.36Å; F502-L558 HydrophobicContact CE2-CD2 3.84Å; F502-L558 HydrophobicContact CE2-CG 4.05Å; F502-L558 HydrophobicContact CG-CD2 3.7Å; F502-L558 HydrophobicContact CZ-CD2 3.71Å; F502-L558 HydrophobicContact CZ-CG 3.85Å; Y505-L558 HydrophobicContact CD1-CB 4.03Å; Y505-L558 HydrophobicContact CD1-CD2 4.32Å; Y505-L558 HydrophobicContact CE1-CB 4.3Å; V506-L558 HydrophobicContact CG1-CD2 4.29Å; V506-L558 HydrophobicContact CG2-CD2 3.96Å; L554-L558 PolarHBondContact O-N 3.18Å; E555-L558 WeakPolarHBondContact O-CA 3.46Å; E555-L558 WeakPolarHBondContact O-CB 3.48Å; E555-L558 PolarHBondContact O-N 2.58Å; L558-I561 PolarHBondContact O-N 3.13Å; L558-K562 WeakPolarHBondContact O-CB 3.07Å; L558-K562 PolarHBondContact O-N 3.29Å
559D93.8Very high93.5Very high28 Ų2821.5 Ų21.515%0.1511%0.109CC..Hα-helixtrans-64.9-43.2176.2-164.356.7000112E555 I557 I561 K562 K563E555-D559 PolarHBondContact O-N 3.37Å; I557-D559 VanDerWaalsContact C-N 3.3Å; I557-D559 PolarHBondContact O-N 3.16Å; D559-I561 PolarHBondContact O-N 3.16Å; D559-K562 PolarHBondContact O-N 3.15Å; D559-K563 WeakPolarHBondContact O-CB 3.47Å; D559-K563 PolarHBondContact O-N 3Å; D559-K563 WeakPolarHBondContact OD1-CE 3.39Å; D559-K563 IonicContact OD1-NZ 3.18Å; D559-K563 PolarHBondContact OD1-NZ 3.41Å; D559-K563 WeakPolarHBondContact OD2-CD 3.34Å; D559-K563 IonicContact OD2-NZ 2.75Å; D559-K563 PolarHBondContact OD2-NZ 3.01Å
560L95.6Very high93.3Very high3 Ų321.7 Ų21.72%0.01611%0.11CC..Hα-helixtrans-59-47.6175.2-173.576.3000111.1A556 I557 H564 F599 G605 I607 L633A556-L560 WeakPolarHBondContact O-CB 3.46Å; A556-L560 PolarHBondContact O-N 3.13Å; I557-L560 WeakPolarHBondContact O-CB 3.42Å; I557-L560 PolarHBondContact O-N 3.23Å; L560-H564 WeakPolarHBondContact O-CB 3.34Å; L560-H564 PolarHBondContact O-N 3.26Å; L560-F599 HydrophobicContact CD2-CD1 4.4Å; L560-F599 HydrophobicContact CD2-CE1 4.35Å; L560-G605 VanDerWaalsContact CD1-O 3.31Å; L560-G605 WeakPolarHBondContact CD1-O 3.34Å; L560-G605 WeakPolarHBondContact CD2-O 3.5Å; L560-I607 HydrophobicContact CD2-CB 4.03Å; L560-I607 HydrophobicContact CD2-CG2 4.24Å; L560-L633 HydrophobicContact CD1-CD1 3.64Å; L560-L633 HydrophobicContact CG-CD1 4.29Å
561I95.1Very high92.9Very high0 Ų023.5 Ų23.50%012%0.12CC..Iπ-helixtrans-58.8-53.9177.5-65.9164.6000109.6F502 V506 I557 L558 D559 K563 I565 L566 W569 F599F502-I561 HydrophobicContact CD1-CD1 4.04Å; F502-I561 HydrophobicContact CE1-CD1 3.59Å; V506-I561 HydrophobicContact CB-CB 4.47Å; V506-I561 HydrophobicContact CB-CG2 3.67Å; V506-I561 HydrophobicContact CG1-CB 3.97Å; V506-I561 HydrophobicContact CG1-CG2 3.64Å; V506-I561 HydrophobicContact CG2-CG2 4.04Å; I557-I561 HydrophobicContact CG2-CD1 3.83Å; I557-I561 HydrophobicContact CG2-CG1 4.34Å; I557-I561 VanDerWaalsContact O-CG1 3.29Å; I557-I561 WeakPolarHBondContact O-CG1 3.46Å; I557-I561 PolarHBondContact O-N 3.03Å; L558-I561 PolarHBondContact O-N 3.13Å; D559-I561 PolarHBondContact O-N 3.16Å; I561-K563 VanDerWaalsContact C-N 3.27Å; I561-K563 PolarHBondContact O-N 3.36Å; I561-I565 HydrophobicContact CB-CG1 4.3Å; I561-I565 HydrophobicContact CG1-CD1 4.07Å; I561-I565 HydrophobicContact CG1-CG1 4.2Å; I561-I565 HydrophobicContact CG2-CG1 4.49Å; I561-I565 CarbonylContact O-C 3.54Å; I561-I565 PolarHBondContact O-N 2.93Å; I561-L566 HydrophobicContact CG2-CD1 4.41Å; I561-L566 WeakPolarHBondContact O-CA 3.45Å; I561-L566 WeakPolarHBondContact O-CB 3.35Å; I561-L566 PolarHBondContact O-N 3.36Å; I561-W569 HydrophobicContact CD1-CD2 4.06Å; I561-W569 HydrophobicContact CD1-CE3 4.07Å; I561-W569 HydrophobicContact CD1-CZ3 4.42Å; I561-W569 HydrophobicContact CG2-CB 3.6Å; I561-W569 HydrophobicContact CG2-CD2 4.28Å; I561-W569 HydrophobicContact CG2-CG 3.63Å; I561-F599 HydrophobicContact CD1-CE1 4.4Å; I561-F599 HydrophobicContact CD1-CE2 3.98Å; I561-F599 HydrophobicContact CD1-CZ 3.54Å; I561-F599 HydrophobicContact CG1-CE1 4.05Å; I561-F599 HydrophobicContact CG1-CE2 4.49Å; I561-F599 HydrophobicContact CG1-CZ 3.58Å
562K92Very high92.6Very high80 Ų8025.1 Ų25.135%0.34814%0.136SC..Iπ-helixtrans-57.8-40.3-174.3-172.661.8173.3-169.30112.7Y505 V506 L558 D559 L566Y505-K562 HydrophobicContact CD1-CB 4.49Å; Y505-K562 HydrophobicContact CE1-CB 3.97Å; Y505-K562 HydrophobicContact CE1-CG 4.16Å; Y505-K562 WeakPolarHBondContact O-CD 3.39Å; Y505-K562 PolarHBondContact O-NZ 3.43Å; V506-K562 HydrophobicContact CG1-CB 3.99Å; V506-K562 HydrophobicContact CG1-CD 4.25Å; L558-K562 WeakPolarHBondContact O-CB 3.07Å; L558-K562 PolarHBondContact O-N 3.29Å; D559-K562 PolarHBondContact O-N 3.15Å; K562-L566 HydrophobicContact CD-CD2 4.37Å
563K91Very high92.5Very high114 Ų11425.4 Ų25.450%0.49613%0.133SC..Iπ-helixtrans-92-30.1-172-69.4176.7-178.4156.20114.5D559 I561D559-K563 WeakPolarHBondContact O-CB 3.47Å; D559-K563 PolarHBondContact O-N 3Å; D559-K563 WeakPolarHBondContact OD1-CE 3.39Å; D559-K563 IonicContact OD1-NZ 3.18Å; D559-K563 PolarHBondContact OD1-NZ 3.41Å; D559-K563 WeakPolarHBondContact OD2-CD 3.34Å; D559-K563 IonicContact OD2-NZ 2.75Å; D559-K563 PolarHBondContact OD2-NZ 3.01Å; I561-K563 VanDerWaalsContact C-N 3.27Å; I561-K563 PolarHBondContact O-N 3.36Å
564H92.4Very high92.5Very high44 Ų4425.4 Ų25.420%0.20413%0.133CC..Iπ-helixtrans-125.9-25.4-166.6-62-74.5000115.5L560 L633 S634L560-H564 WeakPolarHBondContact O-CB 3.34Å; L560-H564 PolarHBondContact O-N 3.26Å; H564-L633 HydrophobicContact CB-CB 4.01Å; H564-L633 HydrophobicContact CB-CD1 3.83Å; H564-L633 PolarHBondContact ND1-O 3.41Å; H564-S634 PolarHBondContact CE1-OG 2.84Å
565I93.6Very high92.4Very high0 Ų027.7 Ų27.70%014%0.144CC..Iπ-helixtrans-137.421.2-172.963172.5000113.5I561 L568 W569 F599 I607 L633 F638I561-I565 HydrophobicContact CB-CG1 4.3Å; I561-I565 HydrophobicContact CG1-CD1 4.07Å; I561-I565 HydrophobicContact CG1-CG1 4.2Å; I561-I565 HydrophobicContact CG2-CG1 4.49Å; I561-I565 CarbonylContact O-C 3.54Å; I561-I565 PolarHBondContact O-N 2.93Å; I565-L568 HydrophobicContact CB-CD1 4.12Å; I565-L568 HydrophobicContact CG2-CD1 4.44Å; I565-L568 PolarHBondContact O-N 3.35Å; I565-L568 VanDerWaalsContact O-N 3.15Å; I565-W569 PolarHBondContact O-N 2.99Å; I565-F599 HydrophobicContact CD1-CE1 3.83Å; I565-F599 HydrophobicContact CD1-CZ 4.23Å; I565-I607 HydrophobicContact CD1-CD1 3.58Å; I565-L633 HydrophobicContact CG2-CD1 4.45Å; I565-F638 HydrophobicContact CG2-CB 3.74Å; I565-F638 HydrophobicContact CG2-CD1 4.01Å; I565-F638 HydrophobicContact CG2-CG 4.09Å
566L90.6Very high92.5Very high28 Ų2826 Ų2615%0.14714%0.136CC..Hα-helixtrans-54.7-46.3-175.5-17967.6000112.9V506 I561 K562 L568 W569 I570V506-L566 HydrophobicContact CB-CD1 3.91Å; V506-L566 HydrophobicContact CG1-CD1 4.36Å; V506-L566 VanDerWaalsContact O-CD1 3.3Å; V506-L566 WeakPolarHBondContact O-CD1 3.23Å; I561-L566 HydrophobicContact CG2-CD1 4.41Å; I561-L566 WeakPolarHBondContact O-CA 3.45Å; I561-L566 WeakPolarHBondContact O-CB 3.35Å; I561-L566 PolarHBondContact O-N 3.36Å; K562-L566 HydrophobicContact CD-CD2 4.37Å; L566-L568 PolarHBondContact O-N 3.48Å; L566-W569 PolarHBondContact O-N 2.89Å; L566-I570 HydrophobicContact CD1-CD1 3.97Å; L566-I570 HydrophobicContact CD1-CG1 4.26Å; L566-I570 HydrophobicContact CG-CD1 3.89Å; L566-I570 WeakPolarHBondContact O-CG1 3.44Å; L566-I570 PolarHBondContact O-N 3.49Å
567P87.7Confident92.5Very high33 Ų3325.3 Ų25.321%0.21413%0.13CC..Hα-helixtrans-61.9-41.7178.2-23.135.3000112.8W569 I570 D571 H674P567-W569 VanDerWaalsContact C-N 3.3Å; P567-W569 PolarHBondContact O-N 3.45Å; P567-I570 PolarHBondContact O-N 3.17Å; P567-D571 WeakPolarHBondContact O-CB 3.39Å; P567-D571 PolarHBondContact O-N 3.05Å; P567-H674 WeakPolarHBondContact CB-CE1 3.38Å
568L90.9Very high92.4Very high8 Ų825.5 Ų25.54%0.04213%0.131CC..Hα-helixtrans-66.2-33.4179.1-60.493.1000112.1I565 L566 G572 Y573 V574 F638 F671I565-L568 HydrophobicContact CB-CD1 4.12Å; I565-L568 HydrophobicContact CG2-CD1 4.44Å; I565-L568 PolarHBondContact O-N 3.35Å; I565-L568 VanDerWaalsContact O-N 3.15Å; L566-L568 PolarHBondContact O-N 3.48Å; L568-G572 PolarHBondContact O-N 2.82Å; L568-Y573 PolarHBondContact O-N 3.19Å; L568-Y573 VanDerWaalsContact O-N 3.12Å; L568-V574 HydrophobicContact CB-CG2 3.93Å; L568-F638 HydrophobicContact CD2-CD1 4.19Å; L568-F671 HydrophobicContact CD2-CD1 3.69Å; L568-F671 HydrophobicContact CD2-CE1 3.7Å
569W93.2Very high92.2Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-69.7-47.6174.8177.8-101.5000112F502 R508 L510 I561 I565 L566 P567 D571 G572 V574 F599F502-W569 HydrophobicContact CB-CZ2 4.45Å; F502-W569 HydrophobicContact CD1-CH2 4.08Å; F502-W569 AromaticContact CD1-CZ2 3.56Å; F502-W569 HydrophobicContact CD1-CZ2 3.56Å; F502-W569 HydrophobicContact CE1-CH2 4.4Å; F502-W569 HydrophobicContact CE1-CZ2 4.3Å; F502-W569 HydrophobicContact CG-CZ2 4.34Å; R508-W569 WeakPolarHBondContact CD-O 3.38Å; R508-W569 PolarHBondContact NE-O 3.07Å; R508-W569 VanDerWaalsContact NH2-CE3 3.32Å; R508-W569 PolarHBondContact O-NE1 3.46Å; L510-W569 HydrophobicContact CD2-CH2 3.77Å; L510-W569 HydrophobicContact CD2-CZ2 3.95Å; I561-W569 HydrophobicContact CD1-CD2 4.06Å; I561-W569 HydrophobicContact CD1-CE3 4.07Å; I561-W569 HydrophobicContact CD1-CZ3 4.42Å; I561-W569 HydrophobicContact CG2-CB 3.6Å; I561-W569 HydrophobicContact CG2-CD2 4.28Å; I561-W569 HydrophobicContact CG2-CG 3.63Å; I565-W569 PolarHBondContact O-N 2.99Å; L566-W569 PolarHBondContact O-N 2.89Å; P567-W569 VanDerWaalsContact C-N 3.3Å; P567-W569 PolarHBondContact O-N 3.45Å; W569-D571 VanDerWaalsContact C-N 3.33Å; W569-D571 PolarHBondContact O-N 3.48Å; W569-G572 PolarHBondContact O-N 2.97Å; W569-G572 VanDerWaalsContact O-N 3.07Å; W569-V574 HydrophobicContact CE3-CB 4.08Å; W569-V574 HydrophobicContact CE3-CG1 4.21Å; W569-V574 HydrophobicContact CZ3-CG1 4.44Å; W569-F599 HydrophobicContact CE3-CZ 4.36Å; W569-F599 HydrophobicContact CZ3-CE2 4.03Å; W569-F599 HydrophobicContact CZ3-CZ 4.32Å
570I87.9Confident91.9Very high15 Ų1530.6 Ų30.68%0.07716%0.155CC..Hα-helixtrans-61.9-42.4179.7-68.4170.5000110.7R113 A117 L566 P567 G572R113-I570 HydrophobicContact CB-CG2 4.22Å; A117-I570 HydrophobicContact CB-CG2 4.44Å; L566-I570 HydrophobicContact CD1-CD1 3.97Å; L566-I570 HydrophobicContact CD1-CG1 4.26Å; L566-I570 HydrophobicContact CG-CD1 3.89Å; L566-I570 WeakPolarHBondContact O-CG1 3.44Å; L566-I570 PolarHBondContact O-N 3.49Å; P567-I570 PolarHBondContact O-N 3.17Å; I570-G572 PolarHBondContact O-N 3.25Å
571D85.8Confident91.6Very high38 Ų3837.8 Ų37.820%0.20319%0.188CC..THydrogen-bonded Turntrans-70.1-8.7177.3-72.2-31.3000113.7P567 W569 Y573 K673 H674P567-D571 WeakPolarHBondContact O-CB 3.39Å; P567-D571 PolarHBondContact O-N 3.05Å; W569-D571 VanDerWaalsContact C-N 3.33Å; W569-D571 PolarHBondContact O-N 3.48Å; D571-Y573 VanDerWaalsContact C-N 3.34Å; D571-Y573 HydrophobicContact CB-CD2 3.61Å; D571-Y573 HydrophobicContact CB-CE2 3.47Å; D571-Y573 VanDerWaalsContact CB-CE2 3.47Å; D571-Y573 HydrophobicContact CB-CG 4.27Å; D571-Y573 PolarHBondContact O-N 2.78Å; D571-K673 IonicContact OD1-NZ 2.65Å; D571-K673 PolarHBondContact OD1-NZ 3.4Å; D571-K673 VanDerWaalsContact OD1-NZ 3.08Å; D571-K673 WeakPolarHBondContact OD2-CE 3.48Å; D571-K673 IonicContact OD2-NZ 2.79Å; D571-K673 PolarHBondContact OD2-NZ 2.57Å; D571-H674 IonicContact OD2-CD2 3.05Å; D571-H674 IonicContact OD2-CE1 2.88Å; D571-H674 PolarHBondContact OD2-CE1 2.81Å; D571-H674 IonicContact OD2-NE2 3.94Å; D571-H674 PolarHBondContact OD2-NE2 2.85Å
572G88.4Confident91.4Very high34 Ų3441 Ų4135%0.35120%0.202SC..THydrogen-bonded Turntrans7615.2177.200000115.5L568 W569 I570 V574L568-G572 PolarHBondContact O-N 2.82Å; W569-G572 PolarHBondContact O-N 2.97Å; W569-G572 VanDerWaalsContact O-N 3.07Å; I570-G572 PolarHBondContact O-N 3.25Å; G572-V574 VanDerWaalsContact C-N 3.27Å; G572-V574 PolarHBondContact O-N 3.04Å
573Y92.4Very high91.4Very high51 Ų5137.3 Ų37.320%0.219%0.186CC..  trans-76.4-14.2177.7-60-41.3000113.7L568 D571 L661 A670 F671L568-Y573 PolarHBondContact O-N 3.19Å; L568-Y573 VanDerWaalsContact O-N 3.12Å; D571-Y573 VanDerWaalsContact C-N 3.34Å; D571-Y573 HydrophobicContact CB-CD2 3.61Å; D571-Y573 HydrophobicContact CB-CE2 3.47Å; D571-Y573 VanDerWaalsContact CB-CE2 3.47Å; D571-Y573 HydrophobicContact CB-CG 4.27Å; D571-Y573 PolarHBondContact O-N 2.78Å; Y573-L661 HydrophobicContact CD1-CD2 3.78Å; Y573-L661 HydrophobicContact CG-CD2 4.03Å; Y573-A670 HydrophobicContact CD1-CB 4.16Å; Y573-A670 HydrophobicContact CE1-CB 4.11Å; Y573-A670 HydrophobicContact CE2-CB 4.47Å; Y573-A670 WeakPolarHBondContact CE2-O 3.36Å; Y573-A670 HydrophobicContact CG-CB 4.38Å; Y573-F671 HydrophobicContact CD2-CE1 4.41Å; Y573-F671 HydrophobicContact CG-CE1 4.4Å
574V95Very high91.5Very high1 Ų138.3 Ų38.31%0.00619%0.187CC..  trans-96.8116.5176.4-176.90000110R508 L568 W569 G572 L597 F599 I607R508-V574 PolarHBondContact NH2-O 3.46Å; R508-V574 VanDerWaalsContact NH2-O 3.16Å; L568-V574 HydrophobicContact CB-CG2 3.93Å; W569-V574 HydrophobicContact CE3-CB 4.08Å; W569-V574 HydrophobicContact CE3-CG1 4.21Å; W569-V574 HydrophobicContact CZ3-CG1 4.44Å; G572-V574 VanDerWaalsContact C-N 3.27Å; G572-V574 PolarHBondContact O-N 3.04Å; V574-L597 HydrophobicContact CG1-CB 4.34Å; V574-L597 HydrophobicContact CG2-CD1 4.08Å; V574-F599 HydrophobicContact CG1-CE1 4.46Å; V574-F599 HydrophobicContact CG1-CE2 4.44Å; V574-F599 HydrophobicContact CG1-CZ 3.97Å; V574-I607 HydrophobicContact CG1-CD1 4.24Å; V574-I607 HydrophobicContact CG2-CD1 4.5Å
575M94.5Very high91.5Very high48 Ų4842.2 Ų42.224%0.23621%0.208CC..  trans-70.8-39.7173.4-173.5175.9-74.400110.8Q514 F577 V578 L586 L596 L597 Y662Q514-M575 PolarHBondContact NE2-O 2.98Å; M575-F577 PolarHBondContact O-N 2.78Å; M575-V578 HydrophobicContact CG-CB 4.38Å; M575-V578 HydrophobicContact CG-CG1 4.35Å; M575-V578 HydrophobicContact SD-CB 4.01Å; M575-V578 HydrophobicContact SD-CG1 3.98Å; M575-V578 HydrophobicContact SD-CG2 4.15Å; M575-L586 HydrophobicContact CE-CD1 4.08Å; M575-L586 HydrophobicContact SD-CD1 3.98Å; M575-L596 HydrophobicContact CE-CD2 4.35Å; M575-L596 HydrophobicContact SD-CD1 4.46Å; M575-L596 HydrophobicContact SD-CD2 3.99Å; M575-L597 WeakPolarHBondContact CB-O 3.2Å; M575-L597 PolarHBondContact N-O 3.35Å; M575-L597 VanDerWaalsContact N-O 3.14Å; M575-Y662 HydrophobicContact CE-CD1 3.47Å; M575-Y662 VanDerWaalsContact CE-CD1 3.47Å; M575-Y662 HydrophobicContact CE-CE1 3.83Å; M575-Y662 HydrophobicContact CE-CG 4.14Å
576G95.5Very high91.5Very high1 Ų144.5 Ų44.51%0.0122%0.221CC..BIsolated β-bridgetrans76.3-83.2167.700000113.3L597 R598 F599G576-L597 PolarHBondContact N-O 3.42Å; G576-R598 CarbonylContact O-C 3.56Å; G576-R598 WeakPolarHBondContact O-CA 3.49Å; G576-R598 WeakPolarHBondContact O-CB 3.43Å; G576-F599 VanDerWaalsContact CA-CD2 3.42Å; G576-F599 VanDerWaalsContact CA-CE2 3.49Å; G576-F599 PolarHBondContact O-N 3.48Å
577F96Very high91.6Very high5 Ų543.2 Ų43.22%0.02221%0.214CC..  trans-9897.1-174-58.3-77.5000110.9F502 L510 Q514 M517 L518 W553 L554 I557 M575 F599F502-F577 AromaticContact CE1-CE2 3.78Å; F502-F577 HydrophobicContact CE1-CE2 3.78Å; F502-F577 AromaticContact CE1-CZ 3.94Å; F502-F577 HydrophobicContact CE1-CZ 3.94Å; F502-F577 HydrophobicContact CE2-CE2 4.45Å; F502-F577 HydrophobicContact CE2-CZ 4.37Å; F502-F577 AromaticContact CZ-CE2 3.7Å; F502-F577 HydrophobicContact CZ-CE2 3.7Å; F502-F577 AromaticContact CZ-CZ 3.51Å; F502-F577 HydrophobicContact CZ-CZ 3.51Å; L510-F577 HydrophobicContact CD2-CD2 3.82Å; L510-F577 HydrophobicContact CD2-CE2 3.57Å; Q514-F577 HydrophobicContact CB-CB 3.97Å; Q514-F577 HydrophobicContact CB-CD2 4.07Å; Q514-F577 HydrophobicContact CB-CG 4.47Å; Q514-F577 HydrophobicContact CG-CB 4.11Å; Q514-F577 HydrophobicContact CG-CD2 4.19Å; M517-F577 HydrophobicContact CB-CB 4.36Å; M517-F577 HydrophobicContact CG-CB 4.5Å; M517-F577 HydrophobicContact SD-CB 3.99Å; M517-F577 HydrophobicContact SD-CD1 4.47Å; L518-F577 HydrophobicContact CD2-CD1 3.54Å; L518-F577 HydrophobicContact CD2-CE1 3.77Å; L518-F577 HydrophobicContact CD2-CG 4.18Å; L518-F577 HydrophobicContact CG-CD1 4.15Å; L518-F577 HydrophobicContact CG-CG 4.29Å; W553-F577 AromaticContact CH2-CD1 3.81Å; W553-F577 HydrophobicContact CH2-CD1 3.81Å; W553-F577 AromaticContact CH2-CE1 3.68Å; W553-F577 HydrophobicContact CH2-CE1 3.68Å; W553-F577 HydrophobicContact CZ2-CD1 4.43Å; W553-F577 HydrophobicContact CZ2-CE1 4.22Å; W553-F577 HydrophobicContact CZ3-CE1 4.23Å; L554-F577 HydrophobicContact CD1-CE1 3.82Å; L554-F577 HydrophobicContact CD1-CZ 3.68Å; I557-F577 HydrophobicContact CD1-CE1 3.84Å; I557-F577 HydrophobicContact CD1-CZ 4.27Å; I557-F577 HydrophobicContact CG2-CZ 4.02Å; M575-F577 PolarHBondContact O-N 2.78Å; F577-F599 HydrophobicContact CD1-CD2 4.43Å; F577-F599 HydrophobicContact CD2-CD2 4.45Å; F577-F599 HydrophobicContact CE1-CD2 4.07Å; F577-F599 HydrophobicContact CE2-CD2 4.08Å; F577-F599 HydrophobicContact CE2-CE2 4.08Å; F577-F599 AromaticContact CZ-CD2 3.87Å; F577-F599 HydrophobicContact CZ-CD2 3.87Å; F577-F599 HydrophobicContact CZ-CE2 4.18Å
578V93.6Very high91.7Very high4 Ų446.9 Ų46.92%0.02423%0.226CC..  trans-146.9133.2176.561.60000109.2M575 K582 E583 L586 L596 R598M575-V578 HydrophobicContact CG-CB 4.38Å; M575-V578 HydrophobicContact CG-CG1 4.35Å; M575-V578 HydrophobicContact SD-CB 4.01Å; M575-V578 HydrophobicContact SD-CG1 3.98Å; M575-V578 HydrophobicContact SD-CG2 4.15Å; V578-K582 HydrophobicContact CG2-CB 3.91Å; V578-K582 HydrophobicContact CG2-CD 4.36Å; V578-K582 HydrophobicContact CG2-CG 4.02Å; V578-E583 HydrophobicContact CG1-CB 4.43Å; V578-E583 HydrophobicContact CG2-CB 4.17Å; V578-L586 HydrophobicContact CG2-CD1 4.31Å; V578-L596 HydrophobicContact CG1-CD1 3.99Å; V578-R598 HydrophobicContact CG1-CB 3.61Å; V578-R598 HydrophobicContact CG1-CG 4.31Å
579S90.6Very high91.6Very high24 Ų2453.4 Ų53.417%0.16826%0.261CS..  trans-71154.5177.568.90000110.6E581 K582 E583S579-E581 PolarHBondContact O-N 3.38Å; S579-K582 PolarHBondContact O-N 2.88Å; S579-K582 WeakPolarHBondContact OG-CB 3.45Å; S579-K582 PolarHBondContact OG-N 3.46Å; S579-E583 VanDerWaalsContact O-CB 3.28Å; S579-E583 WeakPolarHBondContact O-CB 3.47Å; S579-E583 PolarHBondContact O-N 2.89Å
580K89Confident91.5Very high112 Ų11255.8 Ų55.849%0.48727%0.271SS..Hα-helixtrans-57.1-34.4177.1-70.8-175.7177.8-178.50112.8R584K580-R584 VanDerWaalsContact O-CG 3.29Å; K580-R584 WeakPolarHBondContact O-CG 3.35Å; K580-R584 PolarHBondContact O-N 3.07Å
581E89.4Confident91.6Very high154 Ų15459.6 Ų59.672%0.7229%0.29SS*.Hα-helixtrans-69.1-50.3178.3-66.8174.5-171.700111S579 E583 R584 L585S579-E581 PolarHBondContact O-N 3.38Å; E581-E583 VanDerWaalsContact C-N 3.35Å; E581-E583 PolarHBondContact O-N 2.8Å; E581-R584 PolarHBondContact O-N 2.94Å; E581-L585 WeakPolarHBondContact O-CG 3.33Å; E581-L585 PolarHBondContact O-N 3.21Å
582K90.8Very high91.8Very high66 Ų6660.7 Ų60.729%0.28730%0.299SS..Hα-helixtrans-63.9-39.4177.6-170.9169.7-179176.50111.8D513 V578 S579 R584 L585 L586D513-K582 IonicContact OD1-NZ 2.73Å; D513-K582 PolarHBondContact OD1-NZ 3.18Å; V578-K582 HydrophobicContact CG2-CB 3.91Å; V578-K582 HydrophobicContact CG2-CD 4.36Å; V578-K582 HydrophobicContact CG2-CG 4.02Å; S579-K582 PolarHBondContact O-N 2.88Å; S579-K582 WeakPolarHBondContact OG-CB 3.45Å; S579-K582 PolarHBondContact OG-N 3.46Å; K582-R584 PolarHBondContact O-N 3.42Å; K582-L585 PolarHBondContact O-N 3.44Å; K582-L586 HydrophobicContact CG-CD1 4.23Å; K582-L586 HydrophobicContact CG-CG 4.41Å; K582-L586 VanDerWaalsContact O-CG 3.26Å; K582-L586 WeakPolarHBondContact O-CG 3.4Å; K582-L586 PolarHBondContact O-N 3.45Å
583E92.1Very high91.9Very high3 Ų359.3 Ų59.31%0.01429%0.285CS..Hα-helixtrans-55.6-49.4173.9163.2175.9-11500111.8V578 S579 E581 L585 L586 L587 L596 R598 T610V578-E583 HydrophobicContact CG1-CB 4.43Å; V578-E583 HydrophobicContact CG2-CB 4.17Å; S579-E583 VanDerWaalsContact O-CB 3.28Å; S579-E583 WeakPolarHBondContact O-CB 3.47Å; S579-E583 PolarHBondContact O-N 2.89Å; E581-E583 VanDerWaalsContact C-N 3.35Å; E581-E583 PolarHBondContact O-N 2.8Å; E583-L585 VanDerWaalsContact C-N 3.34Å; E583-L585 PolarHBondContact O-N 3.33Å; E583-L586 PolarHBondContact O-N 3.09Å; E583-L587 HydrophobicContact CG-CD1 4.21Å; E583-L587 WeakPolarHBondContact O-CB 3.12Å; E583-L587 WeakPolarHBondContact O-CG 3.4Å; E583-L587 PolarHBondContact O-N 2.63Å; E583-L587 VanDerWaalsContact O-N 3.14Å; E583-L596 HydrophobicContact CB-CD2 4.39Å; E583-L596 HydrophobicContact CG-CD1 4.11Å; E583-L596 HydrophobicContact CG-CD2 4.05Å; E583-L596 HydrophobicContact CG-CG 4.32Å; E583-L596 VanDerWaalsContact OE1-CD1 3.29Å; E583-L596 WeakPolarHBondContact OE1-CD1 3.23Å; E583-R598 VanDerWaalsContact OE1-CD 3.22Å; E583-R598 WeakPolarHBondContact OE1-CD 3.39Å; E583-R598 IonicContact OE1-CZ 3.69Å; E583-R598 IonicContact OE1-NE 3.45Å; E583-R598 PolarHBondContact OE1-NE 3.39Å; E583-R598 IonicContact OE2-CZ 3.85Å; E583-R598 IonicContact OE2-NE 2.63Å; E583-R598 PolarHBondContact OE2-NE 3.17Å; E583-R598 IonicContact OE2-NH2 3.47Å; E583-R598 PolarHBondContact OE2-NH2 2.71Å; E583-T610 HydrophobicContact CG-CG2 4.18Å; E583-T610 WeakPolarHBondContact OE1-CB 3.39Å; E583-T610 PolarHBondContact OE1-OG1 3.26Å; E583-T610 PolarHBondContact OE2-OG1 2.78Å
584R91.4Very high92Very high136 Ų13656.9 Ų56.951%0.51328%0.275SS..Hα-helixtrans-63.3-40.9178.2-72.5171.1177.5178.3-3.7111.7K580 E581 K582 L587 K588 F622K580-R584 VanDerWaalsContact O-CG 3.29Å; K580-R584 WeakPolarHBondContact O-CG 3.35Å; K580-R584 PolarHBondContact O-N 3.07Å; E581-R584 PolarHBondContact O-N 2.94Å; K582-R584 PolarHBondContact O-N 3.42Å; R584-L587 PolarHBondContact O-N 3.37Å; R584-K588 WeakPolarHBondContact O-CB 3.47Å; R584-K588 PolarHBondContact O-N 2.82Å; R584-F622 HydrophobicContact CB-CD2 4.46Å; R584-F622 HydrophobicContact CB-CE1 4.43Å; R584-F622 HydrophobicContact CB-CE2 4.16Å; R584-F622 HydrophobicContact CB-CZ 4.13Å; R584-F622 HydrophobicContact CG-CD1 4.41Å; R584-F622 HydrophobicContact CG-CD2 3.95Å; R584-F622 HydrophobicContact CG-CE2 4.15Å; R584-F622 HydrophobicContact CG-CG 4.08Å; R584-F622 HydrophobicContact CG-CZ 4.45Å; R584-F622 WeakPolarHBondContact O-CZ 3.37Å
585L92.8Very high92.1Very high125 Ų12556.8 Ų56.865%0.65428%0.275SS*.Hα-helixtrans-62.1-43.4176.6-70.1170.6000112.1E581 K582 E583 L587E581-L585 WeakPolarHBondContact O-CG 3.33Å; E581-L585 PolarHBondContact O-N 3.21Å; K582-L585 PolarHBondContact O-N 3.44Å; E583-L585 VanDerWaalsContact C-N 3.34Å; E583-L585 PolarHBondContact O-N 3.33Å; L585-L587 VanDerWaalsContact C-N 3.3Å; L585-L587 PolarHBondContact O-N 3.23Å
586L93.2Very high92.1Very high49 Ų4954.6 Ų54.626%0.25726%0.264SS..Hα-helixtrans-66.9-31.1179.7-68.8172.9000113M575 V578 K582 E583 K590 Y662M575-L586 HydrophobicContact CE-CD1 4.08Å; M575-L586 HydrophobicContact SD-CD1 3.98Å; V578-L586 HydrophobicContact CG2-CD1 4.31Å; K582-L586 HydrophobicContact CG-CD1 4.23Å; K582-L586 HydrophobicContact CG-CG 4.41Å; K582-L586 VanDerWaalsContact O-CG 3.26Å; K582-L586 WeakPolarHBondContact O-CG 3.4Å; K582-L586 PolarHBondContact O-N 3.45Å; E583-L586 PolarHBondContact O-N 3.09Å; L586-K590 WeakPolarHBondContact O-CG 3.4Å; L586-Y662 HydrophobicContact CB-CE2 4.04Å
587L93.1Very high92.2Very high0 Ų054.6 Ų54.60%026%0.264CS..Hα-helixtrans-92.2-20.1-177.6-72.8178.2000113.9E583 R584 L585 D589 K590 T594 L596 T610 V612 F622E583-L587 HydrophobicContact CG-CD1 4.21Å; E583-L587 WeakPolarHBondContact O-CB 3.12Å; E583-L587 WeakPolarHBondContact O-CG 3.4Å; E583-L587 PolarHBondContact O-N 2.63Å; E583-L587 VanDerWaalsContact O-N 3.14Å; R584-L587 PolarHBondContact O-N 3.37Å; L585-L587 VanDerWaalsContact C-N 3.3Å; L585-L587 PolarHBondContact O-N 3.23Å; L587-D589 VanDerWaalsContact C-N 3.32Å; L587-D589 PolarHBondContact O-N 3.26Å; L587-K590 PolarHBondContact O-N 3.07Å; L587-K590 VanDerWaalsContact O-N 3.15Å; L587-T594 HydrophobicContact CD2-CG2 4.01Å; L587-L596 HydrophobicContact CD1-CD2 4.1Å; L587-L596 HydrophobicContact CD1-CG 4.2Å; L587-L596 HydrophobicContact CD2-CD2 4.31Å; L587-L596 HydrophobicContact CG-CD2 3.96Å; L587-L596 HydrophobicContact CG-CG 4.49Å; L587-T610 HydrophobicContact CD1-CG2 3.95Å; L587-V612 HydrophobicContact CB-CB 4.21Å; L587-F622 HydrophobicContact CB-CD1 4.1Å; L587-F622 HydrophobicContact CB-CE1 3.67Å; L587-F622 HydrophobicContact CD1-CD1 4.43Å
588K90.3Very high92.2Very high111 Ų11155 Ų5548%0.48327%0.265SS..Hα-helixtrans-54.1-43.9-171.4-173.2-176.9176.2-171.80113.7R584 F622R584-K588 WeakPolarHBondContact O-CB 3.47Å; R584-K588 PolarHBondContact O-N 2.82Å; K588-F622 HydrophobicContact CB-CZ 4.16Å
589D88.3Confident92.3Very high145 Ų14554.9 Ų54.978%0.77527%0.265SS*.THydrogen-bonded Turntrans-101.921.5-174.5-54.4-37.3000112.3L587L587-D589 VanDerWaalsContact C-N 3.32Å; L587-D589 PolarHBondContact O-N 3.26Å
590K91.8Very high92.5Very high49 Ų4954 Ų5421%0.21326%0.258CS..SBendtrans-103.1157.4-179.2-67.9-61.5-170174.70112.2L586 L587 T594 V612 H614 D664L586-K590 WeakPolarHBondContact O-CG 3.4Å; L587-K590 PolarHBondContact O-N 3.07Å; L587-K590 VanDerWaalsContact O-N 3.15Å; K590-T594 HydrophobicContact CB-CG2 3.97Å; K590-T594 HydrophobicContact CG-CG2 4.28Å; K590-V612 HydrophobicContact CB-CG1 4.37Å; K590-H614 PolarHBondContact O-CE1 3.26Å; K590-D664 IonicContact NZ-OD1 3.51Å; K590-D664 IonicContact NZ-OD2 2.77Å; K590-D664 PolarHBondContact NZ-OD2 2.91Å
591M89.3Confident92.5Very high95 Ų9550.4 Ų50.447%0.46824%0.243SC..PPolyproline II helixtrans-59.7146.4179.6-66-169.6-66.500111.9G593 T594 V612 Y660M591-G593 PolarHBondContact O-N 2.96Å; M591-T594 VanDerWaalsContact O-CB 3.29Å; M591-T594 WeakPolarHBondContact O-CB 3.09Å; M591-T594 PolarHBondContact O-N 3.06Å; M591-T594 PolarHBondContact O-OG1 3.32Å; M591-T594 VanDerWaalsContact O-OG1 3.09Å; M591-V612 WeakPolarHBondContact O-CG1 3.48Å; M591-Y660 HydrophobicContact CE-CD2 4.23Å; M591-Y660 HydrophobicContact CE-CE1 4.49Å; M591-Y660 HydrophobicContact CE-CE2 4.01Å
592P90.9Very high92.4Very high61 Ų6145.5 Ų45.540%0.39623%0.226SC..THydrogen-bonded Turntrans-52.2133.7173-21.326.9000112.3T594 H614P592-T594 VanDerWaalsContact C-N 3.34Å; P592-H614 HydrophobicContact CG-CB 4.14Å
593G89.8Confident92.2Very high5 Ų547 Ų475%0.05223%0.234CC..THydrogen-bonded Turntrans83.44.1-17600000114.9M591 V612 P657 K659 Y660M591-G593 PolarHBondContact O-N 2.96Å; G593-V612 PolarHBondContact N-O 2.72Å; G593-P657 WeakPolarHBondContact CA-O 3.32Å; G593-K659 PolarHBondContact O-N 2.72Å; G593-Y660 PolarHBondContact O-N 3.37Å; G593-Y660 VanDerWaalsContact O-N 3.14Å
594T94.9Very high92.1Very high0 Ų050.6 Ų50.60%025%0.253CS..EExtended strand (participates in β ladder)trans-70.4130.9164.2-63.90000109.9L587 K590 M591 P592 W611 V612 Y660L587-T594 HydrophobicContact CD2-CG2 4.01Å; K590-T594 HydrophobicContact CB-CG2 3.97Å; K590-T594 HydrophobicContact CG-CG2 4.28Å; M591-T594 VanDerWaalsContact O-CB 3.29Å; M591-T594 WeakPolarHBondContact O-CB 3.09Å; M591-T594 PolarHBondContact O-N 3.06Å; M591-T594 PolarHBondContact O-OG1 3.32Å; M591-T594 VanDerWaalsContact O-OG1 3.09Å; P592-T594 VanDerWaalsContact C-N 3.34Å; T594-W611 VanDerWaalsContact O-CA 3.3Å; T594-W611 WeakPolarHBondContact O-CA 3.42Å; T594-V612 PolarHBondContact O-N 3.04Å; T594-Y660 CarbonylContact C-O 3.56Å; T594-Y660 WeakPolarHBondContact CA-O 3.48Å
595F96.3Very high91.9Very high0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-134.6158.8-176.771.1-84.3000112.8L597 F609 T610 W611 L642 L658 Y660 L661 Y662 K667 F671F595-L597 HydrophobicContact CD2-CD2 4.04Å; F595-L597 HydrophobicContact CE2-CD2 3.92Å; F595-L597 HydrophobicContact CE2-CG 4.49Å; F595-F609 HydrophobicContact CD2-CB 4.44Å; F595-T610 CarbonylContact C-O 3.49Å; F595-T610 WeakPolarHBondContact CA-O 3.49Å; F595-T610 WeakPolarHBondContact CB-O 3.45Å; F595-W611 HydrophobicContact CB-CB 3.71Å; F595-L642 HydrophobicContact CE2-CD2 4.17Å; F595-L658 HydrophobicContact CB-CD2 3.87Å; F595-L658 HydrophobicContact CD1-CB 3.8Å; F595-L658 HydrophobicContact CD1-CD2 3.98Å; F595-L658 HydrophobicContact CD1-CG 4.43Å; F595-L658 HydrophobicContact CD2-CD2 4.27Å; F595-L658 HydrophobicContact CE1-CB 3.7Å; F595-L658 HydrophobicContact CG-CB 4.42Å; F595-L658 HydrophobicContact CG-CD2 3.8Å; F595-L658 HydrophobicContact CZ-CB 4.21Å; F595-Y660 WeakPolarHBondContact CD1-O 3.41Å; F595-Y660 WeakPolarHBondContact CE1-O 3.2Å; F595-Y660 PolarHBondContact N-O 3.43Å; F595-L661 HydrophobicContact CD2-CD1 4.3Å; F595-L661 HydrophobicContact CE2-CD1 3.97Å; F595-L661 HydrophobicContact CZ-CB 4.32Å; F595-L661 HydrophobicContact CZ-CD1 4.42Å; F595-Y662 PolarHBondContact O-N 3.03Å; F595-K667 HydrophobicContact CE1-CB 4.37Å; F595-K667 HydrophobicContact CE1-CG 4.38Å; F595-K667 HydrophobicContact CZ-CG 4.22Å; F595-F671 HydrophobicContact CE2-CE2 4.03Å; F595-F671 HydrophobicContact CE2-CZ 4.35Å; F595-F671 AromaticContact CZ-CE2 3.67Å; F595-F671 HydrophobicContact CZ-CE2 3.67Å; F595-F671 HydrophobicContact CZ-CZ 4.43Å
596L95.9Very high91.9Very high1 Ų138.6 Ų38.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-131.3155.7172.267.879.7000111.8M575 V578 E583 L587 R598 F609 T610M575-L596 HydrophobicContact CE-CD2 4.35Å; M575-L596 HydrophobicContact SD-CD1 4.46Å; M575-L596 HydrophobicContact SD-CD2 3.99Å; V578-L596 HydrophobicContact CG1-CD1 3.99Å; E583-L596 HydrophobicContact CB-CD2 4.39Å; E583-L596 HydrophobicContact CG-CD1 4.11Å; E583-L596 HydrophobicContact CG-CD2 4.05Å; E583-L596 HydrophobicContact CG-CG 4.32Å; E583-L596 VanDerWaalsContact OE1-CD1 3.29Å; E583-L596 WeakPolarHBondContact OE1-CD1 3.23Å; L587-L596 HydrophobicContact CD1-CD2 4.1Å; L587-L596 HydrophobicContact CD1-CG 4.2Å; L587-L596 HydrophobicContact CD2-CD2 4.31Å; L587-L596 HydrophobicContact CG-CD2 3.96Å; L587-L596 HydrophobicContact CG-CG 4.49Å; L596-R598 HydrophobicContact CD1-CB 4.15Å; L596-R598 HydrophobicContact CD1-CG 4.3Å; L596-F609 WeakPolarHBondContact O-CA 3.4Å; L596-F609 WeakPolarHBondContact O-CB 3.34Å; L596-T610 PolarHBondContact N-O 3.33Å; L596-T610 PolarHBondContact O-N 3.27Å; L596-T610 VanDerWaalsContact O-N 3.12Å
597L96.9Very high92.1Very high1 Ų136.3 Ų36.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-107.4123.1-178.1-54.7-179000110V574 M575 G576 F595 F609 F638 L642 L661 F671V574-L597 HydrophobicContact CG1-CB 4.34Å; V574-L597 HydrophobicContact CG2-CD1 4.08Å; M575-L597 WeakPolarHBondContact CB-O 3.2Å; M575-L597 PolarHBondContact N-O 3.35Å; M575-L597 VanDerWaalsContact N-O 3.14Å; G576-L597 PolarHBondContact N-O 3.42Å; F595-L597 HydrophobicContact CD2-CD2 4.04Å; F595-L597 HydrophobicContact CE2-CD2 3.92Å; F595-L597 HydrophobicContact CE2-CG 4.49Å; L597-F609 HydrophobicContact CD2-CB 3.59Å; L597-F638 HydrophobicContact CD1-CE1 4.01Å; L597-F638 HydrophobicContact CD2-CE1 3.99Å; L597-F638 HydrophobicContact CD2-CZ 4.08Å; L597-L642 HydrophobicContact CD1-CD1 4.22Å; L597-L642 HydrophobicContact CD2-CD1 4.21Å; L597-L642 HydrophobicContact CD2-CD2 3.99Å; L597-L661 HydrophobicContact CG-CD1 4.21Å; L597-F671 HydrophobicContact CD1-CE1 3.98Å; L597-F671 HydrophobicContact CD1-CZ 3.81Å
598R96.1Very high92.2Very high13 Ų1336.3 Ų36.35%0.04919%0.19CC..EExtended strand (participates in β ladder)trans-137.4157.418069.4171.1175.972.56.4113.4G576 V578 E583 L596 T608G576-R598 CarbonylContact O-C 3.56Å; G576-R598 WeakPolarHBondContact O-CA 3.49Å; G576-R598 WeakPolarHBondContact O-CB 3.43Å; V578-R598 HydrophobicContact CG1-CB 3.61Å; V578-R598 HydrophobicContact CG1-CG 4.31Å; E583-R598 VanDerWaalsContact OE1-CD 3.22Å; E583-R598 WeakPolarHBondContact OE1-CD 3.39Å; E583-R598 IonicContact OE1-CZ 3.69Å; E583-R598 IonicContact OE1-NE 3.45Å; E583-R598 PolarHBondContact OE1-NE 3.39Å; E583-R598 IonicContact OE2-CZ 3.85Å; E583-R598 IonicContact OE2-NE 2.63Å; E583-R598 PolarHBondContact OE2-NE 3.17Å; E583-R598 IonicContact OE2-NH2 3.47Å; E583-R598 PolarHBondContact OE2-NH2 2.71Å; L596-R598 HydrophobicContact CD1-CB 4.15Å; L596-R598 HydrophobicContact CD1-CG 4.3Å; R598-T608 HydrophobicContact CG-CG2 3.79Å; R598-T608 PolarHBondContact N-O 3.32Å; R598-T608 PolarHBondContact O-N 3.13Å; R598-T608 VanDerWaalsContact O-O 3.09Å
599F96.7Very high92.4Very high3 Ų331 Ų311%0.01317%0.167CC..EExtended strand (participates in β ladder)trans-78.1147173.5-61.1-56000111.1I557 L560 I561 I565 W569 V574 G576 F577 E601 G606 I607I557-F599 HydrophobicContact CD1-CB 3.65Å; I557-F599 HydrophobicContact CD1-CD2 4.21Å; I557-F599 HydrophobicContact CD1-CG 3.95Å; I557-F599 HydrophobicContact CG1-CB 4.1Å; I557-F599 HydrophobicContact CG1-CD1 4.34Å; I557-F599 HydrophobicContact CG1-CG 4.07Å; I557-F599 HydrophobicContact CG2-CD1 3.88Å; I557-F599 HydrophobicContact CG2-CD2 3.52Å; I557-F599 HydrophobicContact CG2-CE1 3.9Å; I557-F599 HydrophobicContact CG2-CE2 3.52Å; I557-F599 HydrophobicContact CG2-CG 3.73Å; I557-F599 HydrophobicContact CG2-CZ 3.74Å; L560-F599 HydrophobicContact CD2-CD1 4.4Å; L560-F599 HydrophobicContact CD2-CE1 4.35Å; I561-F599 HydrophobicContact CD1-CE1 4.4Å; I561-F599 HydrophobicContact CD1-CE2 3.98Å; I561-F599 HydrophobicContact CD1-CZ 3.54Å; I561-F599 HydrophobicContact CG1-CE1 4.05Å; I561-F599 HydrophobicContact CG1-CE2 4.49Å; I561-F599 HydrophobicContact CG1-CZ 3.58Å; I565-F599 HydrophobicContact CD1-CE1 3.83Å; I565-F599 HydrophobicContact CD1-CZ 4.23Å; W569-F599 HydrophobicContact CE3-CZ 4.36Å; W569-F599 HydrophobicContact CZ3-CE2 4.03Å; W569-F599 HydrophobicContact CZ3-CZ 4.32Å; V574-F599 HydrophobicContact CG1-CE1 4.46Å; V574-F599 HydrophobicContact CG1-CE2 4.44Å; V574-F599 HydrophobicContact CG1-CZ 3.97Å; G576-F599 VanDerWaalsContact CA-CD2 3.42Å; G576-F599 VanDerWaalsContact CA-CE2 3.49Å; G576-F599 PolarHBondContact O-N 3.48Å; F577-F599 HydrophobicContact CD1-CD2 4.43Å; F577-F599 HydrophobicContact CD2-CD2 4.45Å; F577-F599 HydrophobicContact CE1-CD2 4.07Å; F577-F599 HydrophobicContact CE2-CD2 4.08Å; F577-F599 HydrophobicContact CE2-CE2 4.08Å; F577-F599 AromaticContact CZ-CD2 3.87Å; F577-F599 HydrophobicContact CZ-CD2 3.87Å; F577-F599 HydrophobicContact CZ-CE2 4.18Å; F599-E601 PolarHBondContact O-N 3.42Å; F599-G606 CarbonylContact C-O 3.56Å; F599-G606 WeakPolarHBondContact CA-O 3.38Å; F599-I607 HydrophobicContact CD1-CB 4.37Å; F599-I607 HydrophobicContact CE1-CD1 4.34Å
600S93.4Very high92.7Very high4 Ų424.2 Ų24.23%0.02813%0.13CC..  trans-73.2126.8175.7-168.40000110.1W553 S602 H603 G606 P627W553-S600 PolarHBondContact NE1-O 3.5Å; S600-S602 VanDerWaalsContact C-N 3.27Å; S600-S602 PolarHBondContact OG-N 3.39Å; S600-H603 PolarHBondContact OG-N 3.12Å; S600-G606 PolarHBondContact N-O 3.08Å; S600-P627 WeakPolarHBondContact OG-CG 3.47Å
601E89.9Confident92.8Very high38 Ų3822.3 Ų22.318%0.17812%0.122CC..SBendtrans-82-8.8169.3-60.4-173.1-105.900112.9M517 K521 K546 W553 F599M517-E601 HydrophobicContact CE-CG 3.86Å; M517-E601 WeakPolarHBondContact CE-OE2 3.33Å; K521-E601 IonicContact NZ-OE2 3.88Å; K521-E601 PolarHBondContact NZ-OE2 3.37Å; K546-E601 WeakPolarHBondContact CE-O 2.97Å; W553-E601 HydrophobicContact CZ2-CG 4.4Å; F599-E601 PolarHBondContact O-N 3.42Å
602S86.4Confident93Very high50 Ų5017.8 Ų17.835%0.3510%0.099SC..SBendtrans-106.8-23.9-173.9-62.80000114.1K546 S600K546-S602 PolarHBondContact NZ-OG 2.92Å; S600-S602 VanDerWaalsContact C-N 3.27Å; S600-S602 PolarHBondContact OG-N 3.39Å
603H86.6Confident92.9Very high98 Ų9816.9 Ų16.945%0.4549%0.091SC..SBendtrans-121.3141.8179-6094.9000109.9S600 G605S600-H603 PolarHBondContact OG-N 3.12Å; H603-G605 PolarHBondContact O-N 3.36Å
604L89.8Confident92.7Very high79 Ų7919.9 Ų19.941%0.41410%0.103SC..THydrogen-bonded Turntrans-65.1128.9173.6-70175.6000110.3F548 T552 W553 A556 G606F548-L604 HydrophobicContact CB-CD1 4.3Å; F548-L604 HydrophobicContact CB-CD2 3.85Å; F548-L604 HydrophobicContact CB-CG 4.35Å; F548-L604 HydrophobicContact CD1-CD1 4.28Å; F548-L604 HydrophobicContact CD1-CD2 3.74Å; F548-L604 HydrophobicContact CD1-CG 3.73Å; F548-L604 HydrophobicContact CD2-CD2 3.75Å; F548-L604 HydrophobicContact CE1-CD2 4.17Å; F548-L604 HydrophobicContact CE1-CG 4.12Å; F548-L604 HydrophobicContact CE2-CD2 4.18Å; F548-L604 HydrophobicContact CG-CD1 4.46Å; F548-L604 HydrophobicContact CG-CD2 3.5Å; F548-L604 HydrophobicContact CG-CG 4Å; F548-L604 HydrophobicContact CZ-CD2 4.37Å; T552-L604 HydrophobicContact CG2-CD1 4.43Å; T552-L604 HydrophobicContact CG2-CD2 4.22Å; W553-L604 HydrophobicContact CB-CD2 4.11Å; A556-L604 HydrophobicContact CB-CB 4.2Å; A556-L604 HydrophobicContact CB-CD2 4.45Å; L604-G606 PolarHBondContact O-N 3.44Å
605G88.5Confident91.9Very high8 Ų820.7 Ų20.78%0.08211%0.109CC..THydrogen-bonded Turntrans56.245.6172.900000113.6A556 L560 H603A556-G605 WeakPolarHBondContact O-CA 3.44Å; L560-G605 VanDerWaalsContact CD1-O 3.31Å; L560-G605 WeakPolarHBondContact CD1-O 3.34Å; L560-G605 WeakPolarHBondContact CD2-O 3.5Å; H603-G605 PolarHBondContact O-N 3.36Å
606G92.7Very high90.7Very high1 Ų129.9 Ų29.91%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-113.3141.6176.900000112.6F599 S600 L604 Y628F599-G606 CarbonylContact C-O 3.56Å; F599-G606 WeakPolarHBondContact CA-O 3.38Å; S600-G606 PolarHBondContact N-O 3.08Å; L604-G606 PolarHBondContact O-N 3.44Å; G606-Y628 WeakPolarHBondContact CA-O 3.34Å
607I95.8Very high89.6Confident0 Ų036.6 Ų36.60%019%0.188CC..EExtended strand (participates in β ladder)trans-112.3140.6168.5-173.2163.6000109.8L560 I565 V574 F599 P627 Y628 L633 F638L560-I607 HydrophobicContact CD2-CB 4.03Å; L560-I607 HydrophobicContact CD2-CG2 4.24Å; I565-I607 HydrophobicContact CD1-CD1 3.58Å; V574-I607 HydrophobicContact CG1-CD1 4.24Å; V574-I607 HydrophobicContact CG2-CD1 4.5Å; F599-I607 HydrophobicContact CD1-CB 4.37Å; F599-I607 HydrophobicContact CE1-CD1 4.34Å; I607-P627 CarbonylContact O-C 3.55Å; I607-P627 WeakPolarHBondContact O-CA 3.33Å; I607-Y628 PolarHBondContact N-O 3.49Å; I607-Y628 PolarHBondContact O-N 3.43Å; I607-L633 HydrophobicContact CG2-CD1 3.9Å; I607-F638 HydrophobicContact CD1-CD1 4.11Å; I607-F638 HydrophobicContact CD1-CE1 3.51Å; I607-F638 HydrophobicContact CD1-CZ 3.83Å; I607-F638 HydrophobicContact CG1-CE1 4.06Å; I607-F638 HydrophobicContact CG1-CE2 4.46Å; I607-F638 HydrophobicContact CG1-CZ 3.82Å; I607-F638 HydrophobicContact CG2-CD2 4.01Å; I607-F638 HydrophobicContact CG2-CE1 4.4Å; I607-F638 HydrophobicContact CG2-CE2 3.73Å; I607-F638 HydrophobicContact CG2-CG 4.47Å; I607-F638 HydrophobicContact CG2-CZ 3.94Å
608T95.3Very high88.5Confident1 Ų139.1 Ų39.11%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-135.1166.3175-175.90000109.6R598 V625R598-T608 HydrophobicContact CG-CG2 3.79Å; R598-T608 PolarHBondContact N-O 3.32Å; R598-T608 PolarHBondContact O-N 3.13Å; R598-T608 VanDerWaalsContact O-O 3.09Å; T608-V625 PolarHBondContact OG1-O 3.06Å
609F94.8Very high87.8Confident0 Ų044.2 Ų44.20%024%0.239CC..EExtended strand (participates in β ladder)trans-129.9146.3171.355.3-97.9000110F595 L596 L597 W611 V625 Y628 F638 I641 L642 Y645 L658F595-F609 HydrophobicContact CD2-CB 4.44Å; L596-F609 WeakPolarHBondContact O-CA 3.4Å; L596-F609 WeakPolarHBondContact O-CB 3.34Å; L597-F609 HydrophobicContact CD2-CB 3.59Å; F609-W611 HydrophobicContact CD2-CE3 4.08Å; F609-W611 HydrophobicContact CD2-CZ3 4.28Å; F609-W611 HydrophobicContact CE2-CE3 4.18Å; F609-W611 HydrophobicContact CE2-CZ3 4.05Å; F609-V625 HydrophobicContact CD2-CG2 3.84Å; F609-V625 HydrophobicContact CE1-CG2 4.2Å; F609-V625 HydrophobicContact CE2-CB 4.3Å; F609-V625 HydrophobicContact CE2-CG2 3.22Å; F609-V625 HydrophobicContact CZ-CB 4.22Å; F609-V625 HydrophobicContact CZ-CG2 3.44Å; F609-V625 VanDerWaalsContact CZ-CG2 3.44Å; F609-V625 PolarHBondContact O-N 3.18Å; F609-Y628 HydrophobicContact CD1-CE2 4.41Å; F609-Y628 HydrophobicContact CE1-CD2 4.47Å; F609-Y628 AromaticContact CE1-CE2 3.68Å; F609-Y628 HydrophobicContact CE1-CE2 3.68Å; F609-Y628 HydrophobicContact CZ-CE2 4.38Å; F609-F638 HydrophobicContact CD1-CE2 4.32Å; F609-F638 HydrophobicContact CD1-CZ 4.13Å; F609-I641 HydrophobicContact CE1-CG2 4.32Å; F609-L642 HydrophobicContact CD1-CD2 3.66Å; F609-L642 HydrophobicContact CE1-CD2 3.9Å; F609-L642 HydrophobicContact CG-CD2 4.16Å; F609-Y645 AromaticContact CE2-CD1 3.86Å; F609-Y645 HydrophobicContact CE2-CD1 3.86Å; F609-Y645 AromaticContact CE2-CE1 3.71Å; F609-Y645 HydrophobicContact CE2-CE1 3.71Å; F609-Y645 HydrophobicContact CE2-CG 4.35Å; F609-Y645 AromaticContact CZ-CD1 3.85Å; F609-Y645 HydrophobicContact CZ-CD1 3.85Å; F609-Y645 AromaticContact CZ-CD2 3.92Å; F609-Y645 HydrophobicContact CZ-CD2 3.92Å; F609-Y645 AromaticContact CZ-CE1 3.91Å; F609-Y645 HydrophobicContact CZ-CE1 3.91Å; F609-Y645 AromaticContact CZ-CE2 3.99Å; F609-Y645 HydrophobicContact CZ-CE2 3.99Å; F609-Y645 AromaticContact CZ-CG 3.86Å; F609-Y645 HydrophobicContact CZ-CG 3.86Å; F609-Y645 AromaticContact CZ-CZ 4Å; F609-L658 HydrophobicContact CD2-CD1 4.08Å; F609-L658 HydrophobicContact CD2-CD2 3.77Å; F609-L658 HydrophobicContact CE2-CD1 3.74Å; F609-L658 HydrophobicContact CE2-CD2 3.85Å; F609-L658 HydrophobicContact CE2-CG 4.27Å; F609-L658 HydrophobicContact CZ-CD1 4.02Å
610T94.2Very high87.3Confident1 Ų146.4 Ų46.41%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-125.2134.7177-55.90000108.5E583 L587 F595 L596 F622 H623 S624E583-T610 HydrophobicContact CG-CG2 4.18Å; E583-T610 WeakPolarHBondContact OE1-CB 3.39Å; E583-T610 PolarHBondContact OE1-OG1 3.26Å; E583-T610 PolarHBondContact OE2-OG1 2.78Å; L587-T610 HydrophobicContact CD1-CG2 3.95Å; F595-T610 CarbonylContact C-O 3.49Å; F595-T610 WeakPolarHBondContact CA-O 3.49Å; F595-T610 WeakPolarHBondContact CB-O 3.45Å; L596-T610 PolarHBondContact N-O 3.33Å; L596-T610 PolarHBondContact O-N 3.27Å; L596-T610 VanDerWaalsContact O-N 3.12Å; T610-F622 HydrophobicContact CG2-CB 4.37Å; T610-H623 CarbonylContact C-O 3.58Å; T610-H623 WeakPolarHBondContact CA-O 3.27Å; T610-H623 WeakPolarHBondContact CG2-O 3.4Å; T610-S624 WeakPolarHBondContact CG2-OG 2.96Å; T610-S624 PolarHBondContact OG1-OG 3.27Å
611W94.5Very high87Confident10 Ų1051.8 Ų51.84%0.03827%0.272CS..EExtended strand (participates in β ladder)trans-122.9153.6175.872.696.3000111.3T594 F595 F609 H623 V625 Y645 V647 P657 L658 I704T594-W611 VanDerWaalsContact O-CA 3.3Å; T594-W611 WeakPolarHBondContact O-CA 3.42Å; F595-W611 HydrophobicContact CB-CB 3.71Å; F609-W611 HydrophobicContact CD2-CE3 4.08Å; F609-W611 HydrophobicContact CD2-CZ3 4.28Å; F609-W611 HydrophobicContact CE2-CE3 4.18Å; F609-W611 HydrophobicContact CE2-CZ3 4.05Å; W611-H623 HydrophobicContact CD2-CB 3.78Å; W611-H623 AromaticContact CE2-CG 3.95Å; W611-H623 HydrophobicContact CE3-CB 3.95Å; W611-H623 HydrophobicContact CH2-CB 3.42Å; W611-H623 VanDerWaalsContact CH2-CB 3.42Å; W611-H623 HydrophobicContact CZ2-CB 3.23Å; W611-H623 AromaticContact CZ2-CG 3.79Å; W611-H623 HydrophobicContact CZ3-CB 3.76Å; W611-H623 WeakPolarHBondContact CZ3-O 3.41Å; W611-H623 PolarHBondContact N-O 3.38Å; W611-H623 AromaticContact NE1-CD2 3.7Å; W611-H623 PolarHBondContact O-N 3.23Å; W611-V625 HydrophobicContact CH2-CG2 4.27Å; W611-V625 HydrophobicContact CZ3-CG2 3.62Å; W611-Y645 HydrophobicContact CH2-CE1 4.09Å; W611-Y645 HydrophobicContact CZ3-CE1 4.22Å; W611-V647 HydrophobicContact CH2-CG2 4.15Å; W611-V647 HydrophobicContact CZ2-CG2 4.03Å; W611-P657 HydrophobicContact CD2-CB 4.26Å; W611-P657 HydrophobicContact CD2-CG 4.18Å; W611-P657 HydrophobicContact CG-CB 4.29Å; W611-P657 HydrophobicContact CH2-CG 4.47Å; W611-P657 HydrophobicContact CZ2-CB 4.23Å; W611-P657 HydrophobicContact CZ2-CG 3.87Å; W611-L658 HydrophobicContact CB-CD2 4.14Å; W611-L658 HydrophobicContact CD2-CD2 4.37Å; W611-L658 HydrophobicContact CE3-CD2 4.24Å; W611-L658 HydrophobicContact CG-CD2 4.38Å; W611-I704 HydrophobicContact CZ2-CD1 4.31Å
612V93.3Very high87.1Confident0 Ų052.9 Ų52.90%028%0.276CS..EExtended strand (participates in β ladder)trans-93.3139.3172.565.60000110.4L587 K590 M591 G593 T594 V620 F622L587-V612 HydrophobicContact CB-CB 4.21Å; K590-V612 HydrophobicContact CB-CG1 4.37Å; M591-V612 WeakPolarHBondContact O-CG1 3.48Å; G593-V612 PolarHBondContact N-O 2.72Å; T594-V612 PolarHBondContact O-N 3.04Å; V612-V620 HydrophobicContact CG2-CG1 3.36Å; V612-F622 HydrophobicContact CB-CD1 4.33Å; V612-F622 HydrophobicContact CB-CE1 4.31Å; V612-F622 HydrophobicContact CG2-CD1 4.3Å; V612-F622 HydrophobicContact CG2-CE1 4Å
613D88.8Confident87.3Confident41 Ų4152.1 Ų52.122%0.21927%0.267CS..EExtended strand (participates in β ladder)trans-132151.3172.5-165.417.7000109.7R621D613-R621 PolarHBondContact N-O 3.48Å; D613-R621 PolarHBondContact O-N 3.42Å
614H85.7Confident87.5Confident68 Ų6850.5 Ų50.532%0.31527%0.267SS..EExtended strand (participates in β ladder)trans-117118.8178.4-70.164.7000108.4K590 P592K590-H614 PolarHBondContact O-CE1 3.26Å; P592-H614 HydrophobicContact CG-CB 4.14Å
615S77.6Confident87.5Confident18 Ų1847.4 Ų47.413%0.12625%0.251CS..  trans-66.9160.5173.264.90000111.1N617 G618 E619S615-N617 PolarHBondContact O-N 3.2Å; S615-G618 PolarHBondContact O-N 3.29Å; S615-E619 PolarHBondContact N-O 3.08Å; S615-E619 WeakPolarHBondContact OG-CB 3.35Å; S615-E619 PolarHBondContact OG-N 2.83Å; S615-E619 PolarHBondContact OG-O 3.37Å; S615-E619 VanDerWaalsContact OG-O 3.08Å
616E72.9Confident87.6Confident193 Ų19352.3 Ų52.390%0.90227%0.272SS*.THydrogen-bonded Turntrans-54.9-24.7175.5-60.9-175.4161.800113.1G618E616-G618 VanDerWaalsContact C-N 3.3Å; E616-G618 PolarHBondContact O-N 3.16Å
617N72.6Confident87.6Confident141 Ų14153.4 Ų53.475%0.75428%0.279SS*.THydrogen-bonded Turntrans-84.50.4178.8-61.5-10.6000113.6S615 E619S615-N617 PolarHBondContact O-N 3.2Å; N617-E619 VanDerWaalsContact C-N 3.31Å; N617-E619 PolarHBondContact O-N 2.68Å
618G72.1Confident87.4Confident54 Ų5454 Ų5456%0.55728%0.281SS*.SBendtrans81.32.5-17700000114.9S615 E616S615-G618 PolarHBondContact O-N 3.29Å; E616-G618 VanDerWaalsContact C-N 3.3Å; E616-G618 PolarHBondContact O-N 3.16Å
619E81.7Confident87.2Confident121 Ų12157.5 Ų57.557%0.56530%0.3SS*.  trans-73.9131.8173.2-63.3-172.7150.100111.1S615 N617S615-E619 PolarHBondContact N-O 3.08Å; S615-E619 WeakPolarHBondContact OG-CB 3.35Å; S615-E619 PolarHBondContact OG-N 2.83Å; S615-E619 PolarHBondContact OG-O 3.37Å; S615-E619 VanDerWaalsContact OG-O 3.08Å; N617-E619 VanDerWaalsContact C-N 3.31Å; N617-E619 PolarHBondContact O-N 2.68Å
620V86.4Confident87Confident49 Ų4962.3 Ų62.330%0.29732%0.321SS..EExtended strand (participates in β ladder)trans-81.5120176.7-174.40000109.7V612 F622V612-V620 HydrophobicContact CG2-CG1 3.36Å; V620-F622 HydrophobicContact CG1-CE1 4.07Å; V620-F622 HydrophobicContact CG1-CE2 4.07Å; V620-F622 HydrophobicContact CG1-CZ 3.67Å
621R88.1Confident86.6Confident117 Ų11764.8 Ų64.844%0.44235%0.347SS..EExtended strand (participates in β ladder)trans-110144.9175.7-65.6-177.4-175.4161.11.9110.4D613D613-R621 PolarHBondContact N-O 3.48Å; D613-R621 PolarHBondContact O-N 3.42Å
622F90.4Very high86.2Confident61 Ų6169.6 Ų69.627%0.26837%0.365SS..EExtended strand (participates in β ladder)trans-119127.1176.4-55.9-81.1000109.2R584 L587 K588 T610 V612 V620R584-F622 HydrophobicContact CB-CD2 4.46Å; R584-F622 HydrophobicContact CB-CE1 4.43Å; R584-F622 HydrophobicContact CB-CE2 4.16Å; R584-F622 HydrophobicContact CB-CZ 4.13Å; R584-F622 HydrophobicContact CG-CD1 4.41Å; R584-F622 HydrophobicContact CG-CD2 3.95Å; R584-F622 HydrophobicContact CG-CE2 4.15Å; R584-F622 HydrophobicContact CG-CG 4.08Å; R584-F622 HydrophobicContact CG-CZ 4.45Å; R584-F622 WeakPolarHBondContact O-CZ 3.37Å; L587-F622 HydrophobicContact CB-CD1 4.1Å; L587-F622 HydrophobicContact CB-CE1 3.67Å; L587-F622 HydrophobicContact CD1-CD1 4.43Å; K588-F622 HydrophobicContact CB-CZ 4.16Å; T610-F622 HydrophobicContact CG2-CB 4.37Å; V612-F622 HydrophobicContact CB-CD1 4.33Å; V612-F622 HydrophobicContact CB-CE1 4.31Å; V612-F622 HydrophobicContact CG2-CD1 4.3Å; V612-F622 HydrophobicContact CG2-CE1 4Å; V620-F622 HydrophobicContact CG1-CE1 4.07Å; V620-F622 HydrophobicContact CG1-CE2 4.07Å; V620-F622 HydrophobicContact CG1-CZ 3.67Å
623H90.7Very high86Confident34 Ų3470 Ų7016%0.15737%0.367CS..EExtended strand (participates in β ladder)trans-117.1130.8178.6-61.1-77.9000109.4T610 W611T610-H623 CarbonylContact C-O 3.58Å; T610-H623 WeakPolarHBondContact CA-O 3.27Å; T610-H623 WeakPolarHBondContact CG2-O 3.4Å; W611-H623 HydrophobicContact CD2-CB 3.78Å; W611-H623 AromaticContact CE2-CG 3.95Å; W611-H623 HydrophobicContact CE3-CB 3.95Å; W611-H623 HydrophobicContact CH2-CB 3.42Å; W611-H623 VanDerWaalsContact CH2-CB 3.42Å; W611-H623 HydrophobicContact CZ2-CB 3.23Å; W611-H623 AromaticContact CZ2-CG 3.79Å; W611-H623 HydrophobicContact CZ3-CB 3.76Å; W611-H623 WeakPolarHBondContact CZ3-O 3.41Å; W611-H623 PolarHBondContact N-O 3.38Å; W611-H623 AromaticContact NE1-CD2 3.7Å; W611-H623 PolarHBondContact O-N 3.23Å
624S90.8Very high86Confident64 Ų6471.8 Ų71.845%0.44838%0.383SS..EExtended strand (participates in β ladder)trans-122.1138.1175.8-580000109.7T610T610-S624 WeakPolarHBondContact CG2-OG 2.96Å; T610-S624 PolarHBondContact OG1-OG 3.27Å
625V91.4Very high86Confident13 Ų1372.7 Ų72.78%0.07940%0.401CS..PPolyproline II helixtrans-83.7152.5176.6-169.40000110.9T608 F609 W611 Y628 Y645T608-V625 PolarHBondContact OG1-O 3.06Å; F609-V625 HydrophobicContact CD2-CG2 3.84Å; F609-V625 HydrophobicContact CE1-CG2 4.2Å; F609-V625 HydrophobicContact CE2-CB 4.3Å; F609-V625 HydrophobicContact CE2-CG2 3.22Å; F609-V625 HydrophobicContact CZ-CB 4.22Å; F609-V625 HydrophobicContact CZ-CG2 3.44Å; F609-V625 VanDerWaalsContact CZ-CG2 3.44Å; F609-V625 PolarHBondContact O-N 3.18Å; W611-V625 HydrophobicContact CH2-CG2 4.27Å; W611-V625 HydrophobicContact CZ3-CG2 3.62Å; V625-Y628 HydrophobicContact CB-CE2 4.4Å; V625-Y628 HydrophobicContact CG1-CE2 3.85Å; V625-Y645 HydrophobicContact CG1-CE2 4.43Å; V625-Y645 HydrophobicContact CG2-CE1 4.21Å; V625-Y645 HydrophobicContact CG2-CE2 4.18Å; V625-Y645 WeakPolarHBondContact CG2-OH 3.47Å
626E89Confident86.4Confident111 Ų11173.6 Ų73.652%0.51941%0.405SS..PPolyproline II helixtrans-51.7131165.4-168.7-171.1-165.300110.1Y628 R632E626-Y628 PolarHBondContact O-N 2.93Å; E626-R632 IonicContact OE1-NH2 3.87Å; E626-R632 IonicContact OE2-CZ 3.03Å; E626-R632 IonicContact OE2-NH1 3.79Å; E626-R632 PolarHBondContact OE2-NH1 3.47Å; E626-R632 IonicContact OE2-NH2 2.91Å; E626-R632 PolarHBondContact OE2-NH2 3.2Å
627P93.1Very high87.2Confident24 Ų2467.3 Ų67.316%0.15638%0.381CS..PPolyproline II helixtrans-58.8132.9-176.2-26.435.6000113.8S600 I607 N629S600-P627 WeakPolarHBondContact OG-CG 3.47Å; I607-P627 CarbonylContact O-C 3.55Å; I607-P627 WeakPolarHBondContact O-CA 3.33Å; P627-N629 PolarHBondContact O-N 3.33Å
628Y92.8Very high88.2Confident13 Ų1360.7 Ų60.75%0.05135%0.345CS..EExtended strand (participates in β ladder)trans-79.5117.3171.9-64.6-89.2000109.6G606 I607 F609 V625 E626 R632 L633 F638 I641G606-Y628 WeakPolarHBondContact CA-O 3.34Å; I607-Y628 PolarHBondContact N-O 3.49Å; I607-Y628 PolarHBondContact O-N 3.43Å; F609-Y628 HydrophobicContact CD1-CE2 4.41Å; F609-Y628 HydrophobicContact CE1-CD2 4.47Å; F609-Y628 AromaticContact CE1-CE2 3.68Å; F609-Y628 HydrophobicContact CE1-CE2 3.68Å; F609-Y628 HydrophobicContact CZ-CE2 4.38Å; V625-Y628 HydrophobicContact CB-CE2 4.4Å; V625-Y628 HydrophobicContact CG1-CE2 3.85Å; E626-Y628 PolarHBondContact O-N 2.93Å; Y628-R632 HydrophobicContact CD1-CB 4.03Å; Y628-L633 HydrophobicContact CG-CD2 4.38Å; Y628-F638 HydrophobicContact CD2-CE2 4.1Å; Y628-I641 HydrophobicContact CD1-CD1 3.86Å; Y628-I641 HydrophobicContact CE1-CD1 3.98Å; Y628-I641 HydrophobicContact CE1-CG2 4.07Å; Y628-I641 HydrophobicContact CE2-CG2 4.1Å; Y628-I641 HydrophobicContact CG-CD1 4.45Å
629N91.4Very high89Confident75 Ų7558.3 Ų58.340%0.40132%0.32SS..EExtended strand (participates in β ladder)trans-91.8173.9174.866.423.5000111.3P627 G631 R632 L633P627-N629 PolarHBondContact O-N 3.33Å; N629-G631 PolarHBondContact O-N 2.93Å; N629-G631 VanDerWaalsContact O-N 3.12Å; N629-G631 WeakPolarHBondContact OD1-CA 3.13Å; N629-G631 PolarHBondContact OD1-N 3.2Å; N629-R632 PolarHBondContact O-N 2.98Å; N629-R632 VanDerWaalsContact O-N 3.08Å; N629-R632 PolarHBondContact OD1-N 2.69Å; N629-L633 WeakPolarHBondContact O-CG 3.26Å; N629-L633 PolarHBondContact O-N 3.45Å
630K89.1Confident89.3Confident101 Ų10152.9 Ų52.944%0.43930%0.295SS..Hα-helixtrans-46.4-40.4174.2173.4170.6-174.4-171.50114.2L633 S634K630-L633 PolarHBondContact O-N 3.12Å; K630-S634 WeakPolarHBondContact O-CB 3.45Å; K630-S634 PolarHBondContact O-N 2.92Å; K630-S634 PolarHBondContact O-OG 2.92Å
631G86.4Confident89.6Confident53 Ų5350.7 Ų50.755%0.54628%0.282SS..Hα-helixtrans-62.3-47.7-179.800000112N629 S634N629-G631 PolarHBondContact O-N 2.93Å; N629-G631 VanDerWaalsContact O-N 3.12Å; N629-G631 WeakPolarHBondContact OD1-CA 3.13Å; N629-G631 PolarHBondContact OD1-N 3.2Å; G631-S634 PolarHBondContact O-N 3.5Å
632R86.6Confident89.8Confident111 Ų11145.1 Ų45.142%0.41926%0.261SS..Hα-helixtrans-68.3-41.5177.4-65-167-179.2175.67.1112.2E626 Y628 N629 S634 A635 L636E626-R632 IonicContact OE1-NH2 3.87Å; E626-R632 IonicContact OE2-CZ 3.03Å; E626-R632 IonicContact OE2-NH1 3.79Å; E626-R632 PolarHBondContact OE2-NH1 3.47Å; E626-R632 IonicContact OE2-NH2 2.91Å; E626-R632 PolarHBondContact OE2-NH2 3.2Å; Y628-R632 HydrophobicContact CD1-CB 4.03Å; N629-R632 PolarHBondContact O-N 2.98Å; N629-R632 VanDerWaalsContact O-N 3.08Å; N629-R632 PolarHBondContact OD1-N 2.69Å; R632-S634 PolarHBondContact O-N 3.45Å; R632-A635 PolarHBondContact O-N 3.14Å; R632-A635 VanDerWaalsContact O-N 3.11Å; R632-L636 PolarHBondContact O-N 2.79Å
633L89.5Confident89.7Confident8 Ų845 Ų454%0.04226%0.259CS..Hα-helixtrans-72.5-15179.7-60.2-173.5000114.2L560 H564 I565 I607 Y628 N629 K630 A635 F638 I641L560-L633 HydrophobicContact CD1-CD1 3.64Å; L560-L633 HydrophobicContact CG-CD1 4.29Å; H564-L633 HydrophobicContact CB-CB 4.01Å; H564-L633 HydrophobicContact CB-CD1 3.83Å; H564-L633 PolarHBondContact ND1-O 3.41Å; I565-L633 HydrophobicContact CG2-CD1 4.45Å; I607-L633 HydrophobicContact CG2-CD1 3.9Å; Y628-L633 HydrophobicContact CG-CD2 4.38Å; N629-L633 WeakPolarHBondContact O-CG 3.26Å; N629-L633 PolarHBondContact O-N 3.45Å; K630-L633 PolarHBondContact O-N 3.12Å; L633-A635 VanDerWaalsContact C-N 3.34Å; L633-F638 HydrophobicContact CD2-CB 3.97Å; L633-F638 HydrophobicContact CD2-CD2 3.68Å; L633-F638 HydrophobicContact CD2-CG 4.22Å; L633-I641 HydrophobicContact CD2-CD1 3.78Å
634S87.4Confident89.5Confident79 Ų7945.2 Ų45.255%0.55226%0.261SS*.Hα-helixtrans-77.7-24.6170.7-58.40000111.9H564 K630 G631 R632H564-S634 PolarHBondContact CE1-OG 2.84Å; K630-S634 WeakPolarHBondContact O-CB 3.45Å; K630-S634 PolarHBondContact O-N 2.92Å; K630-S634 PolarHBondContact O-OG 2.92Å; G631-S634 PolarHBondContact O-N 3.5Å; R632-S634 PolarHBondContact O-N 3.45Å
635A86Confident89.5Confident86 Ų8642.3 Ų42.371%0.71124%0.24SC*.Hα-helixtrans-86.8-38.218000000112.5R632 L633R632-A635 PolarHBondContact O-N 3.14Å; R632-A635 VanDerWaalsContact O-N 3.11Å; L633-A635 VanDerWaalsContact C-N 3.34Å
636L86.8Confident89.2Confident38 Ų3845.2 Ų45.220%0.19925%0.251CS..SBendtrans-139.5128.1178.7-169.565.6000110.3R632 D640 I641 P700R632-L636 PolarHBondContact O-N 2.79Å; L636-D640 HydrophobicContact CD1-CB 4.15Å; L636-D640 HydrophobicContact CG-CB 4.28Å; L636-I641 HydrophobicContact CB-CD1 4.36Å; L636-I641 HydrophobicContact CB-CG1 4.15Å; L636-I641 HydrophobicContact CD2-CG1 3.62Å; L636-I641 HydrophobicContact CG-CG1 3.9Å; L636-P700 HydrophobicContact CD2-CG 4.5Å
637P88.8Confident88.9Confident60 Ų6040.2 Ų40.239%0.3923%0.228SC..  trans-57143.6176.5-26.135.9000112.2A639 D640 I641P637-A639 VanDerWaalsContact C-N 3.29Å; P637-A639 PolarHBondContact O-N 2.96Å; P637-D640 WeakPolarHBondContact CG-OD2 3.3Å; P637-D640 PolarHBondContact O-N 3.16Å; P637-D640 VanDerWaalsContact O-N 3.13Å; P637-I641 PolarHBondContact O-N 2.68Å
638F93Very high88.2Confident3 Ų341.4 Ų41.41%0.01323%0.233CC..Hα-helixtrans-63.6-34.1-174.9-168.4-119.3000113.2I565 L568 L597 I607 F609 Y628 L633 D640 I641 L642I565-F638 HydrophobicContact CG2-CB 3.74Å; I565-F638 HydrophobicContact CG2-CD1 4.01Å; I565-F638 HydrophobicContact CG2-CG 4.09Å; L568-F638 HydrophobicContact CD2-CD1 4.19Å; L597-F638 HydrophobicContact CD1-CE1 4.01Å; L597-F638 HydrophobicContact CD2-CE1 3.99Å; L597-F638 HydrophobicContact CD2-CZ 4.08Å; I607-F638 HydrophobicContact CD1-CD1 4.11Å; I607-F638 HydrophobicContact CD1-CE1 3.51Å; I607-F638 HydrophobicContact CD1-CZ 3.83Å; I607-F638 HydrophobicContact CG1-CE1 4.06Å; I607-F638 HydrophobicContact CG1-CE2 4.46Å; I607-F638 HydrophobicContact CG1-CZ 3.82Å; I607-F638 HydrophobicContact CG2-CD2 4.01Å; I607-F638 HydrophobicContact CG2-CE1 4.4Å; I607-F638 HydrophobicContact CG2-CE2 3.73Å; I607-F638 HydrophobicContact CG2-CG 4.47Å; I607-F638 HydrophobicContact CG2-CZ 3.94Å; F609-F638 HydrophobicContact CD1-CE2 4.32Å; F609-F638 HydrophobicContact CD1-CZ 4.13Å; Y628-F638 HydrophobicContact CD2-CE2 4.1Å; L633-F638 HydrophobicContact CD2-CB 3.97Å; L633-F638 HydrophobicContact CD2-CD2 3.68Å; L633-F638 HydrophobicContact CD2-CG 4.22Å; F638-D640 VanDerWaalsContact C-N 3.35Å; F638-D640 PolarHBondContact O-N 2.81Å; F638-I641 HydrophobicContact CD2-CD1 4.32Å; F638-I641 WeakPolarHBondContact O-CB 3.09Å; F638-I641 PolarHBondContact O-N 3.43Å; F638-L642 HydrophobicContact CD1-CD1 4.12Å; F638-L642 HydrophobicContact CE1-CD1 3.89Å; F638-L642 HydrophobicContact CE1-CD2 4.42Å; F638-L642 HydrophobicContact CE1-CG 4.28Å; F638-L642 HydrophobicContact CZ-CD1 4.46Å; F638-L642 HydrophobicContact CZ-CD2 4.19Å; F638-L642 HydrophobicContact CZ-CG 4.41Å; F638-L642 WeakPolarHBondContact O-CG 3.29Å; F638-L642 PolarHBondContact O-N 3.22Å
639A90.6Very high86.9Confident4 Ų444.5 Ų44.53%0.03325%0.249CC..Hα-helixtrans-63.9-39.4175.800000112.2P637 L642 R643 H674 Y675P637-A639 VanDerWaalsContact C-N 3.29Å; P637-A639 PolarHBondContact O-N 2.96Å; A639-L642 PolarHBondContact O-N 3.1Å; A639-R643 PolarHBondContact O-N 3.46Å; A639-H674 HydrophobicContact CB-CB 3.75Å; A639-H674 WeakPolarHBondContact CB-O 3.14Å; A639-Y675 HydrophobicContact CB-CD1 4.1Å; A639-Y675 HydrophobicContact CB-CE1 4.4Å; A639-Y675 WeakPolarHBondContact O-CE1 3.49Å
640D88.1Confident85.1Confident6 Ų645.4 Ų45.43%0.03227%0.267CS..Hα-helixtrans-70.2-36.3176.4-64-34.2000111.6L636 P637 F638 L642 R643 D644 S676L636-D640 HydrophobicContact CD1-CB 4.15Å; L636-D640 HydrophobicContact CG-CB 4.28Å; P637-D640 WeakPolarHBondContact CG-OD2 3.3Å; P637-D640 PolarHBondContact O-N 3.16Å; P637-D640 VanDerWaalsContact O-N 3.13Å; F638-D640 VanDerWaalsContact C-N 3.35Å; F638-D640 PolarHBondContact O-N 2.81Å; D640-L642 VanDerWaalsContact C-N 3.3Å; D640-L642 PolarHBondContact O-N 3.47Å; D640-R643 WeakPolarHBondContact O-CB 3.24Å; D640-R643 PolarHBondContact O-N 2.93Å; D640-R643 IonicContact OD1-CZ 2.71Å; D640-R643 IonicContact OD1-NH1 3.16Å; D640-R643 PolarHBondContact OD1-NH1 3.48Å; D640-R643 IonicContact OD1-NH2 3.41Å; D640-R643 PolarHBondContact OD1-NH2 2.88Å; D640-D644 PolarHBondContact O-N 3.17Å; D640-S676 PolarHBondContact OD1-N 3.2Å; D640-S676 WeakPolarHBondContact OD2-CB 3.28Å; D640-S676 PolarHBondContact OD2-OG 3.24Å
641I91.3Very high83.4Confident4 Ų448 Ų482%0.02128%0.28CS..Hα-helixtrans-54.8-49.7169.7-69.6166.7000109.6F609 Y628 L633 L636 P637 F638 R643 D644 Y645 P700F609-I641 HydrophobicContact CE1-CG2 4.32Å; Y628-I641 HydrophobicContact CD1-CD1 3.86Å; Y628-I641 HydrophobicContact CE1-CD1 3.98Å; Y628-I641 HydrophobicContact CE1-CG2 4.07Å; Y628-I641 HydrophobicContact CE2-CG2 4.1Å; Y628-I641 HydrophobicContact CG-CD1 4.45Å; L633-I641 HydrophobicContact CD2-CD1 3.78Å; L636-I641 HydrophobicContact CB-CD1 4.36Å; L636-I641 HydrophobicContact CB-CG1 4.15Å; L636-I641 HydrophobicContact CD2-CG1 3.62Å; L636-I641 HydrophobicContact CG-CG1 3.9Å; P637-I641 PolarHBondContact O-N 2.68Å; F638-I641 HydrophobicContact CD2-CD1 4.32Å; F638-I641 WeakPolarHBondContact O-CB 3.09Å; F638-I641 PolarHBondContact O-N 3.43Å; I641-R643 VanDerWaalsContact C-N 3.33Å; I641-R643 PolarHBondContact O-N 3.19Å; I641-D644 PolarHBondContact O-N 3.31Å; I641-Y645 WeakPolarHBondContact O-CA 3.27Å; I641-Y645 WeakPolarHBondContact O-CB 3.34Å; I641-Y645 PolarHBondContact O-N 2.93Å; I641-P700 HydrophobicContact CB-CG 4.41Å; I641-P700 HydrophobicContact CG1-CG 4.42Å; I641-P700 HydrophobicContact CG2-CG 4.05Å
642L91.8Very high82.3Confident0 Ų051.8 Ų51.80%029%0.288CS..Hα-helixtrans-64.8-35.4179.5-63.8172.2000112.7F595 L597 F609 F638 A639 D640 N656 L658 F671F595-L642 HydrophobicContact CE2-CD2 4.17Å; L597-L642 HydrophobicContact CD1-CD1 4.22Å; L597-L642 HydrophobicContact CD2-CD1 4.21Å; L597-L642 HydrophobicContact CD2-CD2 3.99Å; F609-L642 HydrophobicContact CD1-CD2 3.66Å; F609-L642 HydrophobicContact CE1-CD2 3.9Å; F609-L642 HydrophobicContact CG-CD2 4.16Å; F638-L642 HydrophobicContact CD1-CD1 4.12Å; F638-L642 HydrophobicContact CE1-CD1 3.89Å; F638-L642 HydrophobicContact CE1-CD2 4.42Å; F638-L642 HydrophobicContact CE1-CG 4.28Å; F638-L642 HydrophobicContact CZ-CD1 4.46Å; F638-L642 HydrophobicContact CZ-CD2 4.19Å; F638-L642 HydrophobicContact CZ-CG 4.41Å; F638-L642 WeakPolarHBondContact O-CG 3.29Å; F638-L642 PolarHBondContact O-N 3.22Å; A639-L642 PolarHBondContact O-N 3.1Å; D640-L642 VanDerWaalsContact C-N 3.3Å; D640-L642 PolarHBondContact O-N 3.47Å; L642-N656 PolarHBondContact O-ND2 3.25Å; L642-L658 HydrophobicContact CD2-CD1 3.81Å; L642-F671 HydrophobicContact CD1-CD1 4.08Å; L642-F671 HydrophobicContact CD1-CD2 4.23Å; L642-F671 HydrophobicContact CD1-CE1 3.85Å; L642-F671 HydrophobicContact CD1-CE2 4.02Å; L642-F671 HydrophobicContact CD1-CG 4.26Å; L642-F671 HydrophobicContact CD1-CZ 3.8Å
643R89.4Confident81.5Confident59 Ų5951.2 Ų51.222%0.22329%0.293CS..Hα-helixtrans-63.8-51.9177.4-172.1-175.564.8-151.3-11.6111.5A639 D640 I641 N656 K667 Y675 S676A639-R643 PolarHBondContact O-N 3.46Å; D640-R643 WeakPolarHBondContact O-CB 3.24Å; D640-R643 PolarHBondContact O-N 2.93Å; D640-R643 IonicContact OD1-CZ 2.71Å; D640-R643 IonicContact OD1-NH1 3.16Å; D640-R643 PolarHBondContact OD1-NH1 3.48Å; D640-R643 IonicContact OD1-NH2 3.41Å; D640-R643 PolarHBondContact OD1-NH2 2.88Å; I641-R643 VanDerWaalsContact C-N 3.33Å; I641-R643 PolarHBondContact O-N 3.19Å; R643-N656 PolarHBondContact O-ND2 3.38Å; R643-K667 PolarHBondContact O-NZ 3.19Å; R643-Y675 HydrophobicContact CB-CD1 4.04Å; R643-Y675 HydrophobicContact CB-CE1 3.67Å; R643-Y675 HydrophobicContact CB-CE2 4.4Å; R643-Y675 HydrophobicContact CG-CD1 4.43Å; R643-Y675 HydrophobicContact CG-CD2 4.3Å; R643-Y675 HydrophobicContact CG-CE1 4.18Å; R643-Y675 HydrophobicContact CG-CE2 4.02Å; R643-S676 PolarHBondContact NH1-O 2.84Å
644D87.3Confident80.9Confident38 Ų3853.7 Ų53.720%0.20331%0.309CS..Hα-helixtrans-100.3-2.1-165.6-59.4-29.4000113.3D640 I641 K646 I699D640-D644 PolarHBondContact O-N 3.17Å; I641-D644 PolarHBondContact O-N 3.31Å; D644-K646 WeakPolarHBondContact O-CG 3.43Å; D644-K646 PolarHBondContact O-N 2.83Å; D644-I699 VanDerWaalsContact O-CG2 3.26Å; D644-I699 WeakPolarHBondContact O-CG2 3.29Å
645Y89.3Confident80.6Confident3 Ų355.9 Ų55.91%0.01231%0.311CS..  trans-53.9131.4179-172.9-114.6000112.1F609 W611 V625 I641 V647 N656 P657 L658 P700 S702F609-Y645 AromaticContact CE2-CD1 3.86Å; F609-Y645 HydrophobicContact CE2-CD1 3.86Å; F609-Y645 AromaticContact CE2-CE1 3.71Å; F609-Y645 HydrophobicContact CE2-CE1 3.71Å; F609-Y645 HydrophobicContact CE2-CG 4.35Å; F609-Y645 AromaticContact CZ-CD1 3.85Å; F609-Y645 HydrophobicContact CZ-CD1 3.85Å; F609-Y645 AromaticContact CZ-CD2 3.92Å; F609-Y645 HydrophobicContact CZ-CD2 3.92Å; F609-Y645 AromaticContact CZ-CE1 3.91Å; F609-Y645 HydrophobicContact CZ-CE1 3.91Å; F609-Y645 AromaticContact CZ-CE2 3.99Å; F609-Y645 HydrophobicContact CZ-CE2 3.99Å; F609-Y645 AromaticContact CZ-CG 3.86Å; F609-Y645 HydrophobicContact CZ-CG 3.86Å; F609-Y645 AromaticContact CZ-CZ 4Å; W611-Y645 HydrophobicContact CH2-CE1 4.09Å; W611-Y645 HydrophobicContact CZ3-CE1 4.22Å; V625-Y645 HydrophobicContact CG1-CE2 4.43Å; V625-Y645 HydrophobicContact CG2-CE1 4.21Å; V625-Y645 HydrophobicContact CG2-CE2 4.18Å; V625-Y645 WeakPolarHBondContact CG2-OH 3.47Å; I641-Y645 WeakPolarHBondContact O-CA 3.27Å; I641-Y645 WeakPolarHBondContact O-CB 3.34Å; I641-Y645 PolarHBondContact O-N 2.93Å; Y645-V647 HydrophobicContact CD1-CG2 4.24Å; Y645-V647 HydrophobicContact CE1-CG2 3.4Å; Y645-N656 VanDerWaalsContact O-CA 3.29Å; Y645-N656 WeakPolarHBondContact O-CA 3.18Å; Y645-N656 WeakPolarHBondContact O-CB 3.2Å; Y645-N656 PolarHBondContact O-ND2 3.33Å; Y645-N656 PolarHBondContact O-OD1 3.09Å; Y645-P657 HydrophobicContact CD1-CG 4Å; Y645-P657 HydrophobicContact CE1-CG 3.92Å; Y645-L658 HydrophobicContact CD1-CD1 4.12Å; Y645-L658 HydrophobicContact CD1-CG 4.24Å; Y645-P700 HydrophobicContact CD2-CB 4.14Å; Y645-P700 HydrophobicContact CD2-CG 4.24Å; Y645-S702 VanDerWaalsContact OH-CB 3.24Å; Y645-S702 WeakPolarHBondContact OH-CB 3.05Å; Y645-S702 PolarHBondContact OH-OG 2.73Å; Y645-S702 VanDerWaalsContact OH-OG 3.05Å
646K85.8Confident80.6Confident73 Ų7353.5 Ų53.532%0.31729%0.286SS..EExtended strand (participates in β ladder)trans-129.4147.3174.8-58-172.3-176.7-172.70111.6D644 P654 E655 I699 P700 I701 S702D644-K646 WeakPolarHBondContact O-CG 3.43Å; D644-K646 PolarHBondContact O-N 2.83Å; K646-P654 HydrophobicContact CB-CB 4.13Å; K646-P654 HydrophobicContact CD-CB 3.93Å; K646-P654 HydrophobicContact CD-CG 4.46Å; K646-E655 CarbonylContact C-O 3.56Å; K646-E655 WeakPolarHBondContact CA-O 3.2Å; K646-I699 HydrophobicContact CD-CG2 4.45Å; K646-I699 HydrophobicContact CG-CG2 4.38Å; K646-P700 PolarHBondContact N-O 3.35Å; K646-I701 HydrophobicContact CB-CG1 4.33Å; K646-I701 VanDerWaalsContact O-CA 3.27Å; K646-I701 WeakPolarHBondContact O-CA 3.37Å; K646-S702 PolarHBondContact O-N 3.29Å
647V83.3Confident80.7Confident6 Ų652.8 Ų52.84%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-120.1134.2172.2178.10000108.6W611 Y645 M649 E655 P657 S702 I704W611-V647 HydrophobicContact CH2-CG2 4.15Å; W611-V647 HydrophobicContact CZ2-CG2 4.03Å; Y645-V647 HydrophobicContact CD1-CG2 4.24Å; Y645-V647 HydrophobicContact CE1-CG2 3.4Å; V647-M649 HydrophobicContact CG1-CG 4.24Å; V647-E655 PolarHBondContact N-O 3Å; V647-E655 PolarHBondContact O-N 3.45Å; V647-E655 VanDerWaalsContact O-N 3.16Å; V647-P657 HydrophobicContact CB-CG 4.43Å; V647-P657 HydrophobicContact CG2-CG 3.73Å; V647-S702 VanDerWaalsContact CA-O 3.31Å; V647-S702 WeakPolarHBondContact CA-O 3.22Å; V647-I704 HydrophobicContact CG1-CD1 3.47Å; V647-I704 VanDerWaalsContact CG1-CD1 3.47Å; V647-I704 HydrophobicContact CG1-CG1 3.65Å
648I78.1Confident80.9Confident50 Ų5050 Ų5026%0.25627%0.265SS..EExtended strand (participates in β ladder)trans-94.3113.9171.3-58.1171.8000107P654 I701 S702 T703 I704I648-P654 HydrophobicContact CG1-CB 4.15Å; I648-I701 HydrophobicContact CD1-CG2 3.75Å; I648-I701 HydrophobicContact CG1-CG2 3.84Å; I648-S702 PolarHBondContact N-O 2.91Å; I648-T703 HydrophobicContact CB-CG2 4.32Å; I648-T703 HydrophobicContact CD1-CG2 4.26Å; I648-I704 PolarHBondContact O-N 2.86Å
649M65Low80.8Confident78 Ų7855.3 Ų55.338%0.38429%0.288SS..  trans-95178.2170.5-58.6-150.583.400110.5V647 E651 N652 I704V647-M649 HydrophobicContact CG1-CG 4.24Å; M649-E651 PolarHBondContact O-N 3.01Å; M649-N652 PolarHBondContact O-N 2.95Å; M649-I704 HydrophobicContact CE-CD1 4.14Å
650A53.4Low81Confident94 Ų9458.9 Ų58.978%0.77730%0.302SS*.THydrogen-bonded Turntrans-53.3-20.2-174.500000114.9
651E53.5Low81.4Confident154 Ų15458.9 Ų58.972%0.7230%0.301SS*.THydrogen-bonded Turntrans-86.85.3178.6-55.6-167.2-179.100114.7M649 I653M649-E651 PolarHBondContact O-N 3.01Å; E651-I653 PolarHBondContact O-N 3.22Å
652N62.8Low81.5Confident134 Ų13461.9 Ų61.972%0.71731%0.313SS*.  trans59.18.7179.2-75.9-29.8000116.5M649M649-N652 PolarHBondContact O-N 2.95Å
653I70.3Confident81.3Confident99 Ų9964.7 Ų64.751%0.50833%0.331SS..  trans-92.3119.9174.1-58.2169.9000108.9E651 E655E651-I653 PolarHBondContact O-N 3.22Å; I653-E655 HydrophobicContact CG2-CG 4.12Å; I653-E655 PolarHBondContact O-N 3.12Å
654P76.3Confident81.4Confident59 Ų5965.7 Ų65.738%0.38334%0.341SS..EExtended strand (participates in β ladder)trans-80.5108.2-179.830.7-33000110.8K646 I648K646-P654 HydrophobicContact CB-CB 4.13Å; K646-P654 HydrophobicContact CD-CB 3.93Å; K646-P654 HydrophobicContact CD-CG 4.46Å; I648-P654 HydrophobicContact CG1-CB 4.15Å
655E82.6Confident81.5Confident126 Ų12666.5 Ų66.559%0.58935%0.345SS*.EExtended strand (participates in β ladder)trans-112.8153.1179.2-63.6-163.4168.500112.2K646 V647 I653 P657K646-E655 CarbonylContact C-O 3.56Å; K646-E655 WeakPolarHBondContact CA-O 3.2Å; V647-E655 PolarHBondContact N-O 3Å; V647-E655 PolarHBondContact O-N 3.45Å; V647-E655 VanDerWaalsContact O-N 3.16Å; I653-E655 HydrophobicContact CG2-CG 4.12Å; I653-E655 PolarHBondContact O-N 3.12Å; E655-P657 VanDerWaalsContact O-CD 3.3Å; E655-P657 WeakPolarHBondContact O-CD 3.49Å
656N85Confident81.8Confident36 Ų3669.2 Ų69.219%0.19336%0.363CS..  trans-87.1111.9171.5-170.9-23.9000109.2L642 R643 Y645 L658 K667L642-N656 PolarHBondContact O-ND2 3.25Å; R643-N656 PolarHBondContact O-ND2 3.38Å; Y645-N656 VanDerWaalsContact O-CA 3.29Å; Y645-N656 WeakPolarHBondContact O-CA 3.18Å; Y645-N656 WeakPolarHBondContact O-CB 3.2Å; Y645-N656 PolarHBondContact O-ND2 3.33Å; Y645-N656 PolarHBondContact O-OD1 3.09Å; N656-L658 PolarHBondContact O-N 3.29Å; N656-L658 WeakPolarHBondContact OD1-CA 2.97Å; N656-L658 WeakPolarHBondContact OD1-CB 3.29Å; N656-L658 WeakPolarHBondContact OD1-CG 3.32Å; N656-L658 PolarHBondContact OD1-N 2.93Å; N656-K667 PolarHBondContact ND2-NZ 3.38Å
657P88.9Confident82.1Confident22 Ų2266.9 Ų66.914%0.14335%0.352CS..  trans-72-15.4179.731.3-37.1000113.1G593 W611 Y645 V647 E655 K659G593-P657 WeakPolarHBondContact CA-O 3.32Å; W611-P657 HydrophobicContact CD2-CB 4.26Å; W611-P657 HydrophobicContact CD2-CG 4.18Å; W611-P657 HydrophobicContact CG-CB 4.29Å; W611-P657 HydrophobicContact CH2-CG 4.47Å; W611-P657 HydrophobicContact CZ2-CB 4.23Å; W611-P657 HydrophobicContact CZ2-CG 3.87Å; Y645-P657 HydrophobicContact CD1-CG 4Å; Y645-P657 HydrophobicContact CE1-CG 3.92Å; V647-P657 HydrophobicContact CB-CG 4.43Å; V647-P657 HydrophobicContact CG2-CG 3.73Å; E655-P657 VanDerWaalsContact O-CD 3.3Å; E655-P657 WeakPolarHBondContact O-CD 3.49Å; P657-K659 PolarHBondContact O-N 3.19Å
658L92.6Very high82.4Confident3 Ų371.2 Ų71.22%0.01638%0.376CS..  trans-84.9106.7-173.8-49.7179.7000110.4F595 F609 W611 L642 Y645 N656 K667F595-L658 HydrophobicContact CB-CD2 3.87Å; F595-L658 HydrophobicContact CD1-CB 3.8Å; F595-L658 HydrophobicContact CD1-CD2 3.98Å; F595-L658 HydrophobicContact CD1-CG 4.43Å; F595-L658 HydrophobicContact CD2-CD2 4.27Å; F595-L658 HydrophobicContact CE1-CB 3.7Å; F595-L658 HydrophobicContact CG-CB 4.42Å; F595-L658 HydrophobicContact CG-CD2 3.8Å; F595-L658 HydrophobicContact CZ-CB 4.21Å; F609-L658 HydrophobicContact CD2-CD1 4.08Å; F609-L658 HydrophobicContact CD2-CD2 3.77Å; F609-L658 HydrophobicContact CE2-CD1 3.74Å; F609-L658 HydrophobicContact CE2-CD2 3.85Å; F609-L658 HydrophobicContact CE2-CG 4.27Å; F609-L658 HydrophobicContact CZ-CD1 4.02Å; W611-L658 HydrophobicContact CB-CD2 4.14Å; W611-L658 HydrophobicContact CD2-CD2 4.37Å; W611-L658 HydrophobicContact CE3-CD2 4.24Å; W611-L658 HydrophobicContact CG-CD2 4.38Å; L642-L658 HydrophobicContact CD2-CD1 3.81Å; Y645-L658 HydrophobicContact CD1-CD1 4.12Å; Y645-L658 HydrophobicContact CD1-CG 4.24Å; N656-L658 PolarHBondContact O-N 3.29Å; N656-L658 WeakPolarHBondContact OD1-CA 2.97Å; N656-L658 WeakPolarHBondContact OD1-CB 3.29Å; N656-L658 WeakPolarHBondContact OD1-CG 3.32Å; N656-L658 PolarHBondContact OD1-N 2.93Å; L658-K667 HydrophobicContact CB-CD 4.27Å; L658-K667 WeakPolarHBondContact O-CD 3.28Å
659K92Very high82.9Confident114 Ų11476.6 Ų76.650%0.49640%0.397SS..  trans-113.4-47.8-177.2-63.5-178.2-179.4175.20112.4G593 P657 K667G593-K659 PolarHBondContact O-N 2.72Å; P657-K659 PolarHBondContact O-N 3.19Å; K659-K667 WeakPolarHBondContact O-CB 3.37Å; K659-K667 PolarHBondContact O-N 3.4Å
660Y94.4Very high83.9Confident79 Ų7972.9 Ų72.931%0.3138%0.379SS..EExtended strand (participates in β ladder)trans-128.4128-175.1-53.6-81.9000111.1M591 G593 T594 F595 I665 P666M591-Y660 HydrophobicContact CE-CD2 4.23Å; M591-Y660 HydrophobicContact CE-CE1 4.49Å; M591-Y660 HydrophobicContact CE-CE2 4.01Å; G593-Y660 PolarHBondContact O-N 3.37Å; G593-Y660 VanDerWaalsContact O-N 3.14Å; T594-Y660 CarbonylContact C-O 3.56Å; T594-Y660 WeakPolarHBondContact CA-O 3.48Å; F595-Y660 WeakPolarHBondContact CD1-O 3.41Å; F595-Y660 WeakPolarHBondContact CE1-O 3.2Å; F595-Y660 PolarHBondContact N-O 3.43Å; Y660-I665 CarbonylContact C-O 3.59Å; Y660-I665 VanDerWaalsContact CA-O 3.28Å; Y660-I665 WeakPolarHBondContact CA-O 3.47Å; Y660-P666 HydrophobicContact CD1-CG 4.49Å
661L95.9Very high85.6Confident5 Ų568.4 Ų68.43%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-75.5135166.4179.367.8000109.3Y573 F595 L597 P663 D664 I665 A670 F671Y573-L661 HydrophobicContact CD1-CD2 3.78Å; Y573-L661 HydrophobicContact CG-CD2 4.03Å; F595-L661 HydrophobicContact CD2-CD1 4.3Å; F595-L661 HydrophobicContact CE2-CD1 3.97Å; F595-L661 HydrophobicContact CZ-CB 4.32Å; F595-L661 HydrophobicContact CZ-CD1 4.42Å; L597-L661 HydrophobicContact CG-CD1 4.21Å; L661-P663 CarbonylContact O-C 3.59Å; L661-D664 PolarHBondContact O-N 2.69Å; L661-I665 HydrophobicContact CB-CB 4.33Å; L661-I665 PolarHBondContact N-O 3.07Å; L661-I665 PolarHBondContact O-N 3.17Å; L661-A670 HydrophobicContact CB-CB 4.49Å; L661-A670 HydrophobicContact CD2-CB 3.86Å; L661-F671 HydrophobicContact CB-CE2 4.25Å; L661-F671 HydrophobicContact CD1-CE2 4.38Å; L661-F671 HydrophobicContact CD1-CZ 3.99Å; L661-F671 HydrophobicContact CD2-CE2 4.15Å; L661-F671 HydrophobicContact CD2-CZ 3.74Å; L661-F671 HydrophobicContact CG-CE2 4.5Å; L661-F671 HydrophobicContact CG-CZ 4.31Å
662Y93.1Very high87Confident68 Ų6862.6 Ų62.627%0.26732%0.323SS..THydrogen-bonded Turntrans-52.4136.9175.3-177.1-85.1000111.9M575 L586 F595M575-Y662 HydrophobicContact CE-CD1 3.47Å; M575-Y662 VanDerWaalsContact CE-CD1 3.47Å; M575-Y662 HydrophobicContact CE-CE1 3.83Å; M575-Y662 HydrophobicContact CE-CG 4.14Å; L586-Y662 HydrophobicContact CB-CE2 4.04Å; F595-Y662 PolarHBondContact O-N 3.03Å
663P88Confident87.8Confident58 Ų5860.8 Ų60.838%0.37731%0.309SS..THydrogen-bonded Turncis-76.9-46.42.227.3-31.7000113.8L661L661-P663 CarbonylContact O-C 3.59Å
664D90.8Very high88.5Confident81 Ų8157.2 Ų57.243%0.43329%0.29SS..THydrogen-bonded Turntrans-155.145-173.2-61.2-67.7000111.2K590 L661K590-D664 IonicContact NZ-OD1 3.51Å; K590-D664 IonicContact NZ-OD2 2.77Å; K590-D664 PolarHBondContact NZ-OD2 2.91Å; L661-D664 PolarHBondContact O-N 2.69Å
665I91.2Very high88.9Confident54 Ų5456.3 Ų56.328%0.27728%0.279SS..EExtended strand (participates in β ladder)trans-101.5122.2-176.4-54.4172.1000109.2Y660 L661 K667 K669 A670Y660-I665 CarbonylContact C-O 3.59Å; Y660-I665 VanDerWaalsContact CA-O 3.28Å; Y660-I665 WeakPolarHBondContact CA-O 3.47Å; L661-I665 HydrophobicContact CB-CB 4.33Å; L661-I665 PolarHBondContact N-O 3.07Å; L661-I665 PolarHBondContact O-N 3.17Å; I665-K667 PolarHBondContact O-N 3.18Å; I665-K669 HydrophobicContact CG2-CB 4.48Å; I665-A670 HydrophobicContact CG2-CB 3.99Å
666P93.9Very high88.6Confident61 Ų6153 Ų5340%0.39627%0.27SS..EExtended strand (participates in β ladder)trans-54.8133.9174.6-25.934.3000111.9Y660 D668 K669 A670Y660-P666 HydrophobicContact CD1-CG 4.49Å; P666-D668 VanDerWaalsContact C-N 3.34Å; P666-D668 PolarHBondContact O-N 2.84Å; P666-K669 HydrophobicContact CB-CB 4.13Å; P666-K669 WeakPolarHBondContact O-CA 3.31Å; P666-K669 VanDerWaalsContact O-CB 3.32Å; P666-K669 WeakPolarHBondContact O-CB 3.3Å; P666-K669 PolarHBondContact O-N 3.19Å; P666-A670 PolarHBondContact O-N 3.04Å
667K93.2Very high87.5Confident23 Ų2355 Ų5510%0.129%0.287CS..Hα-helixtrans-48.7-52.2-175.3-180-171.966.7-176.60112.5F595 R643 N656 L658 K659 I665 K669 A670 F671F595-K667 HydrophobicContact CE1-CB 4.37Å; F595-K667 HydrophobicContact CE1-CG 4.38Å; F595-K667 HydrophobicContact CZ-CG 4.22Å; R643-K667 PolarHBondContact O-NZ 3.19Å; N656-K667 PolarHBondContact ND2-NZ 3.38Å; L658-K667 HydrophobicContact CB-CD 4.27Å; L658-K667 WeakPolarHBondContact O-CD 3.28Å; K659-K667 WeakPolarHBondContact O-CB 3.37Å; K659-K667 PolarHBondContact O-N 3.4Å; I665-K667 PolarHBondContact O-N 3.18Å; K667-K669 PolarHBondContact O-N 2.9Å; K667-A670 PolarHBondContact O-N 3.02Å; K667-F671 HydrophobicContact CG-CD2 3.9Å; K667-F671 HydrophobicContact CG-CE2 4.44Å; K667-F671 VanDerWaalsContact O-CD2 3.3Å; K667-F671 WeakPolarHBondContact O-CD2 3.03Å; K667-F671 PolarHBondContact O-N 3.36Å
668D89.5Confident85.4Confident98 Ų9861.7 Ų61.752%0.52432%0.316SS..Hα-helixtrans-71.2-21.7-175.3-53.6-44.1000112.3P666 G672 Y675P666-D668 VanDerWaalsContact C-N 3.34Å; P666-D668 PolarHBondContact O-N 2.84Å; D668-G672 WeakPolarHBondContact O-CA 3.22Å; D668-G672 PolarHBondContact O-N 3.27Å; D668-Y675 HydrophobicContact CB-CE2 4.46Å; D668-Y675 PolarHBondContact OD1-OH 3.45Å
669K87.8Confident82.8Confident162 Ų16267.4 Ų67.470%0.70435%0.353SS*.Hα-helixtrans-71.3-35.1171-172.5-178.1178.4-178.70111.6I665 P666 K667I665-K669 HydrophobicContact CG2-CB 4.48Å; P666-K669 HydrophobicContact CB-CB 4.13Å; P666-K669 WeakPolarHBondContact O-CA 3.31Å; P666-K669 VanDerWaalsContact O-CB 3.32Å; P666-K669 WeakPolarHBondContact O-CB 3.3Å; P666-K669 PolarHBondContact O-N 3.19Å; K667-K669 PolarHBondContact O-N 2.9Å
670A86.1Confident79.8Confident0 Ų067 Ų670%036%0.364CS..Hα-helixtrans-78.8-49.7178.200000111.8Y573 L661 I665 P666 K667Y573-A670 HydrophobicContact CD1-CB 4.16Å; Y573-A670 HydrophobicContact CE1-CB 4.11Å; Y573-A670 HydrophobicContact CE2-CB 4.47Å; Y573-A670 WeakPolarHBondContact CE2-O 3.36Å; Y573-A670 HydrophobicContact CG-CB 4.38Å; L661-A670 HydrophobicContact CB-CB 4.49Å; L661-A670 HydrophobicContact CD2-CB 3.86Å; I665-A670 HydrophobicContact CG2-CB 3.99Å; P666-A670 PolarHBondContact O-N 3.04Å; K667-A670 PolarHBondContact O-N 3.02Å
671F89.3Confident76.8Confident0 Ų072.6 Ų72.60%039%0.393CS..Hα-helixtrans-104.1-7.3-169.5-53-70.4000114.4L568 Y573 F595 L597 L642 L661 K667 K673 H674 Y675L568-F671 HydrophobicContact CD2-CD1 3.69Å; L568-F671 HydrophobicContact CD2-CE1 3.7Å; Y573-F671 HydrophobicContact CD2-CE1 4.41Å; Y573-F671 HydrophobicContact CG-CE1 4.4Å; F595-F671 HydrophobicContact CE2-CE2 4.03Å; F595-F671 HydrophobicContact CE2-CZ 4.35Å; F595-F671 AromaticContact CZ-CE2 3.67Å; F595-F671 HydrophobicContact CZ-CE2 3.67Å; F595-F671 HydrophobicContact CZ-CZ 4.43Å; L597-F671 HydrophobicContact CD1-CE1 3.98Å; L597-F671 HydrophobicContact CD1-CZ 3.81Å; L642-F671 HydrophobicContact CD1-CD1 4.08Å; L642-F671 HydrophobicContact CD1-CD2 4.23Å; L642-F671 HydrophobicContact CD1-CE1 3.85Å; L642-F671 HydrophobicContact CD1-CE2 4.02Å; L642-F671 HydrophobicContact CD1-CG 4.26Å; L642-F671 HydrophobicContact CD1-CZ 3.8Å; L661-F671 HydrophobicContact CB-CE2 4.25Å; L661-F671 HydrophobicContact CD1-CE2 4.38Å; L661-F671 HydrophobicContact CD1-CZ 3.99Å; L661-F671 HydrophobicContact CD2-CE2 4.15Å; L661-F671 HydrophobicContact CD2-CZ 3.74Å; L661-F671 HydrophobicContact CG-CE2 4.5Å; L661-F671 HydrophobicContact CG-CZ 4.31Å; K667-F671 HydrophobicContact CG-CD2 3.9Å; K667-F671 HydrophobicContact CG-CE2 4.44Å; K667-F671 VanDerWaalsContact O-CD2 3.3Å; K667-F671 WeakPolarHBondContact O-CD2 3.03Å; K667-F671 PolarHBondContact O-N 3.36Å; F671-K673 VanDerWaalsContact C-N 3.3Å; F671-K673 PolarHBondContact O-N 3.05Å; F671-H674 CarbonylContact O-C 3.48Å; F671-H674 WeakPolarHBondContact O-CA 3.3Å; F671-H674 WeakPolarHBondContact O-CB 3.32Å; F671-H674 PolarHBondContact O-N 3.37Å; F671-Y675 HydrophobicContact CB-CD1 4.34Å; F671-Y675 HydrophobicContact CB-CE1 3.47Å; F671-Y675 VanDerWaalsContact CB-CE1 3.47Å; F671-Y675 WeakPolarHBondContact O-CD1 3.48Å; F671-Y675 WeakPolarHBondContact O-CE1 3.47Å; F671-Y675 PolarHBondContact O-N 2.73Å
672G83.6Confident73.9Confident32 Ų3277.6 Ų77.633%0.3342%0.423SS..G310 helixtrans-53.4-42.4-174.600000114.5D668 H674 Y675D668-G672 WeakPolarHBondContact O-CA 3.22Å; D668-G672 PolarHBondContact O-N 3.27Å; G672-H674 PolarHBondContact O-N 3.12Å; G672-Y675 PolarHBondContact O-N 2.77Å
673K79.9Confident71Confident96 Ų9679.1 Ų79.142%0.41744%0.444SS..G310 helixtrans-68-13.8176.360.7173.8165.7170.80114.5D571 F671D571-K673 IonicContact OD1-NZ 2.65Å; D571-K673 PolarHBondContact OD1-NZ 3.4Å; D571-K673 VanDerWaalsContact OD1-NZ 3.08Å; D571-K673 WeakPolarHBondContact OD2-CE 3.48Å; D571-K673 IonicContact OD2-NZ 2.79Å; D571-K673 PolarHBondContact OD2-NZ 2.57Å; F671-K673 VanDerWaalsContact C-N 3.3Å; F671-K673 PolarHBondContact O-N 3.05Å
674H84Confident68.4Low25 Ų2587.4 Ų87.412%0.11647%0.468CS..G310 helixtrans-106.4-0.6-178.4-60-60.9000112.4P567 D571 A639 F671 G672P567-H674 WeakPolarHBondContact CB-CE1 3.38Å; D571-H674 IonicContact OD2-CD2 3.05Å; D571-H674 IonicContact OD2-CE1 2.88Å; D571-H674 PolarHBondContact OD2-CE1 2.81Å; D571-H674 IonicContact OD2-NE2 3.94Å; D571-H674 PolarHBondContact OD2-NE2 2.85Å; A639-H674 HydrophobicContact CB-CB 3.75Å; A639-H674 WeakPolarHBondContact CB-O 3.14Å; F671-H674 CarbonylContact O-C 3.48Å; F671-H674 WeakPolarHBondContact O-CA 3.3Å; F671-H674 WeakPolarHBondContact O-CB 3.32Å; F671-H674 PolarHBondContact O-N 3.37Å; G672-H674 PolarHBondContact O-N 3.12Å
675Y84.9Confident65.9Low40 Ų4089.4 Ų89.416%0.15749%0.485CS..SBendtrans-72.3134.6176.6-66.3-22.4000110.1A639 R643 D668 F671 G672 S677A639-Y675 HydrophobicContact CB-CD1 4.1Å; A639-Y675 HydrophobicContact CB-CE1 4.4Å; A639-Y675 WeakPolarHBondContact O-CE1 3.49Å; R643-Y675 HydrophobicContact CB-CD1 4.04Å; R643-Y675 HydrophobicContact CB-CE1 3.67Å; R643-Y675 HydrophobicContact CB-CE2 4.4Å; R643-Y675 HydrophobicContact CG-CD1 4.43Å; R643-Y675 HydrophobicContact CG-CD2 4.3Å; R643-Y675 HydrophobicContact CG-CE1 4.18Å; R643-Y675 HydrophobicContact CG-CE2 4.02Å; D668-Y675 HydrophobicContact CB-CE2 4.46Å; D668-Y675 PolarHBondContact OD1-OH 3.45Å; F671-Y675 HydrophobicContact CB-CD1 4.34Å; F671-Y675 HydrophobicContact CB-CE1 3.47Å; F671-Y675 VanDerWaalsContact CB-CE1 3.47Å; F671-Y675 WeakPolarHBondContact O-CD1 3.48Å; F671-Y675 WeakPolarHBondContact O-CE1 3.47Å; F671-Y675 PolarHBondContact O-N 2.73Å; G672-Y675 PolarHBondContact O-N 2.77Å; Y675-S677 PolarHBondContact O-N 3.22Å
676S77.5Confident63.5Low55 Ų5593 Ų9339%0.38551%0.51SS..PPolyproline II helixtrans-61.7125.7172.2-60.20000108.3D640 R643 Q678D640-S676 PolarHBondContact OD1-N 3.2Å; D640-S676 WeakPolarHBondContact OD2-CB 3.28Å; D640-S676 PolarHBondContact OD2-OG 3.24Å; R643-S676 PolarHBondContact NH1-O 2.84Å; S676-Q678 PolarHBondContact O-N 2.9Å
677S60.5Low61.1Low79 Ų7999.2 Ų99.255%0.55253%0.533SS*.PPolyproline II helixtrans-58.2120168.1-35.20000107.1Y675Y675-S677 PolarHBondContact O-N 3.22Å
678Q45.1Very low58.7Low163 Ų163109.6 Ų109.676%0.76257%0.572SS**PPolyproline II helixtrans-54.2133.1174.7-88.1176.5-23.700109.7S676 C680S676-Q678 PolarHBondContact O-N 2.9Å; Q678-C680 PolarHBondContact O-N 3.47Å
679P37.4Very low56.8Low122 Ų122109.4 Ų109.479%0.79259%0.593SS**PPolyproline II helixtrans-67.4121.2164.6-5.720.1000108.3
680C29.3Very low54.7Low106 Ų106105.1 Ų105.172%0.71660%0.595SS**  trans44.5124.7163.9-740000117.4Q678 V682Q678-C680 PolarHBondContact O-N 3.47Å; C680-V682 PolarHBondContact O-N 3.25Å
681E32.4Very low53Low197 Ų197113.9 Ų113.992%0.92163%0.633SS**  trans-49.396.4136.4-73.9-173.2150.400107.5S683E681-S683 PolarHBondContact O-N 2.98Å
682V34.1Very low51Low109 Ų109117.8 Ų117.866%0.66167%0.673SS**  trans-59.8118.2167.2-178.20000104.3C680 R684C680-V682 PolarHBondContact O-N 3.25Å; V682-R684 PolarHBondContact O-N 3.31Å; V682-R684 VanDerWaalsContact O-N 3.12Å
683S32.9Very low49.8Very low100 Ų100126 Ų12670%0.69970%0.696SS**  trans-42.6124175-31.80000107.6E681E681-S683 PolarHBondContact O-N 2.98Å
684R33.3Very low48.3Very low232 Ų232127.8 Ų127.888%0.87571%0.714SS**  trans-44.4134.8167.6-78.6-178.3175178.3-1107.3V682 T686V682-R684 PolarHBondContact O-N 3.31Å; V682-R684 VanDerWaalsContact O-N 3.12Å; R684-T686 PolarHBondContact O-N 3.31Å
685P37.9Very low46.9Very low124 Ų124131.4 Ų131.481%0.80574%0.74SS**  trans-53.9114.5-177.3-17.827.5000107.7E687P685-E687 PolarHBondContact O-N 3.16Å
686T41.3Very low45.5Very low129 Ų129134.2 Ų134.279%0.79177%0.766SS**  trans-63.1131.5160.110.80000105.2R684 R688R684-T686 PolarHBondContact O-N 3.31Å; T686-R688 PolarHBondContact O-N 3.32Å
687E43.7Very low44.9Very low191 Ų191136.8 Ų136.889%0.89378%0.779SS**SBendtrans-57.185.6179.3-65.4179.5159.200110.4P685P685-E687 PolarHBondContact O-N 3.16Å
688R42.5Very low45.4Very low241 Ų241140.9 Ų140.991%0.90979%0.787SS**SBendtrans-166.4112161-104.1159.4-147.1-116.68.8107.7T686T686-R688 PolarHBondContact O-N 3.32Å
689G49Very low46.8Very low94 Ų94136.8 Ų136.897%0.96977%0.77SS**  trans-53132.8-169.500000114.5
690G44.1Very low48.6Very low72 Ų72132.1 Ų132.174%0.74274%0.739SS**  trans-174.395.3169.700000111.2
691K49.4Very low50.9Low185 Ų185131.4 Ų131.480%0.80473%0.727SS**  trans4082168.4-64.1-173.3179-1780116.3Y693K691-Y693 HydrophobicContact CB-CE2 4.41Å; K691-Y693 PolarHBondContact O-N 3Å
692G48.3Very low53.1Low82 Ų82123.9 Ų123.985%0.84570%0.696SS**  trans-76.597.717300000112.5
693Y57.9Low55Low203 Ų203123.3 Ų123.380%0.79669%0.693SS**PPolyproline II helixtrans-86.1128.4158.7-68.3-83.6000108.3K691 P695K691-Y693 HydrophobicContact CB-CE2 4.41Å; K691-Y693 PolarHBondContact O-N 3Å; Y693-P695 WeakPolarHBondContact O-CD 3.26Å
694V48.6Very low56.5Low134 Ų134121 Ų12181%0.81267%0.673SS**PPolyproline II helixtrans-78.1122174.2-178.30000107.9S696V694-S696 PolarHBondContact O-N 2.83Å
695P54.8Low57.5Low101 Ų101119.9 Ų119.966%0.65667%0.669SS**PPolyproline II helixtrans-63.1127.2174.823.6-30.2000110Y693Y693-P695 WeakPolarHBondContact O-CD 3.26Å
696S55.4Low57.8Low100 Ų100118.2 Ų118.270%0.69966%0.66SS**PPolyproline II helixtrans-103132.3178.361.80000110.9V694V694-S696 PolarHBondContact O-N 2.83Å
697V65.1Low57.6Low108 Ų108120.4 Ų120.466%0.65567%0.667SS**  trans-114.9131.5174.2-178.10000109I699V697-I699 HydrophobicContact CG1-CG1 4.36Å
698F70.9Confident57.3Low166 Ų166115 Ų11573%0.72865%0.65SS**  trans-81.9119.9174.7-70.6-81.3000109.9
699I74.5Confident56.8Low77 Ų77112 Ų11240%0.39565%0.649SS.*  trans-116.1122.6177.9-58177.1000108.2D644 K646 V697 I701D644-I699 VanDerWaalsContact O-CG2 3.26Å; D644-I699 WeakPolarHBondContact O-CG2 3.29Å; K646-I699 HydrophobicContact CD-CG2 4.45Å; K646-I699 HydrophobicContact CG-CG2 4.38Å; V697-I699 HydrophobicContact CG1-CG1 4.36Å; I699-I701 HydrophobicContact CG2-CD1 4.43Å; I699-I701 HydrophobicContact CG2-CG1 4.02Å; I699-I701 PolarHBondContact O-N 2.93Å
700P75.6Confident55.9Low24 Ų24115.4 Ų115.416%0.15664%0.639CS.*  trans-74.8118.517626.3-26.9000110.2L636 I641 Y645 K646L636-P700 HydrophobicContact CD2-CG 4.5Å; I641-P700 HydrophobicContact CB-CG 4.41Å; I641-P700 HydrophobicContact CG1-CG 4.42Å; I641-P700 HydrophobicContact CG2-CG 4.05Å; Y645-P700 HydrophobicContact CD2-CB 4.14Å; Y645-P700 HydrophobicContact CD2-CG 4.24Å; K646-P700 PolarHBondContact N-O 3.35Å
701I76.7Confident55.5Low90 Ų90118 Ų11846%0.46264%0.643SS.*EExtended strand (participates in β ladder)trans-123.1132.9-178.7-55.1179.8000110K646 I648 I699K646-I701 HydrophobicContact CB-CG1 4.33Å; K646-I701 VanDerWaalsContact O-CA 3.27Å; K646-I701 WeakPolarHBondContact O-CA 3.37Å; I648-I701 HydrophobicContact CD1-CG2 3.75Å; I648-I701 HydrophobicContact CG1-CG2 3.84Å; I699-I701 HydrophobicContact CG2-CD1 4.43Å; I699-I701 HydrophobicContact CG2-CG1 4.02Å; I699-I701 PolarHBondContact O-N 2.93Å
702S79.5Confident55Low39 Ų39116.9 Ų116.927%0.27364%0.64SS.*EExtended strand (participates in β ladder)trans-117.6145.5171.2-66.70000111.7Y645 K646 V647 I648Y645-S702 VanDerWaalsContact OH-CB 3.24Å; Y645-S702 WeakPolarHBondContact OH-CB 3.05Å; Y645-S702 PolarHBondContact OH-OG 2.73Å; Y645-S702 VanDerWaalsContact OH-OG 3.05Å; K646-S702 PolarHBondContact O-N 3.29Å; V647-S702 VanDerWaalsContact CA-O 3.31Å; V647-S702 WeakPolarHBondContact CA-O 3.22Å; I648-S702 PolarHBondContact N-O 2.91Å
703T73.9Confident54.5Low97 Ų97115.9 Ų115.960%0.59562%0.62SS**EExtended strand (participates in β ladder)trans-107.7118.5176.4520000109.9I648I648-T703 HydrophobicContact CB-CG2 4.32Å; I648-T703 HydrophobicContact CD1-CG2 4.26Å
704I64.3Low54Low53 Ų53111.5 Ų111.527%0.27262%0.617SS.*  trans-88.6111173.6-62.9173.8000107.6W611 V647 I648 M649W611-I704 HydrophobicContact CZ2-CD1 4.31Å; V647-I704 HydrophobicContact CG1-CD1 3.47Å; V647-I704 VanDerWaalsContact CG1-CD1 3.47Å; V647-I704 HydrophobicContact CG1-CG1 3.65Å; I648-I704 PolarHBondContact O-N 2.86Å; M649-I704 HydrophobicContact CE-CD1 4.14Å
705R55.1Low53.8Low208 Ų208110 Ų11079%0.78561%0.612SS**  trans-84.5124.7169.8-67.3-176.3176.1179.8-2.4108.1D707R705-D707 PolarHBondContact O-N 2.96Å
706S43.1Very low53.3Low88 Ų88111.2 Ų111.262%0.61561%0.613SS**  trans-68121.4169.841.60000108.9S708S706-S708 PolarHBondContact O-N 2.82Å
707D36.5Very low52.8Low175 Ų175113.3 Ų113.394%0.93662%0.616SS**SBendtrans-66.473.7170.5-86.3-24000109.9R705R705-D707 PolarHBondContact O-N 2.96Å
708S37.5Very low52Low79 Ų79115.8 Ų115.855%0.55263%0.625SS**  trans-160.977164.560.50000108.8S706S706-S708 PolarHBondContact O-N 2.82Å
709M32.4Very low51.3Low177 Ų177113.7 Ų113.787%0.87263%0.627SS**SBendtrans-162.6143.7138.2-85.2-42149.600110.3
710E30.7Very low50.5Low166 Ų166115.2 Ų115.278%0.77663%0.634SS**  trans-27.5157.4174.6-67.1174.7162.800118.4H712E710-H712 PolarHBondContact O-N 3.37Å
711P36.4Very low49.8Very low126 Ų126116.7 Ų116.782%0.81865%0.645SS**SBendtrans-54.8131.7179.822.5-32.8000111.5S713P711-S713 PolarHBondContact O-N 2.92Å
712H37.4Very low49.1Very low161 Ų161117.8 Ų117.875%0.74566%0.658SS**  trans-43.4121.8178.7-66.4-65.8000112.1E710E710-H712 PolarHBondContact O-N 3.37Å
713S38.8Very low48.3Very low61 Ų61119.7 Ų119.743%0.42767%0.672SS.*  trans-61.3142.6166.580.90000109.2P711 S715 D716P711-S713 PolarHBondContact O-N 2.92Å; S713-S715 PolarHBondContact O-N 2.81Å; S713-D716 PolarHBondContact O-N 3.14Å
714P47Very low47.9Very low112 Ų112118.5 Ų118.573%0.72766%0.664SS**G310 helixtrans-65.4-0.6-177.624.3-31.4000114
715S43.9Very low48.2Very low102 Ų102120.8 Ų120.871%0.71367%0.67SS**G310 helixtrans-82.9-13.1-177.5-50.70000114.3S713S713-S715 PolarHBondContact O-N 2.81Å
716D45.5Very low48.9Very low126 Ų126113.3 Ų113.367%0.67465%0.652SS**G310 helixtrans-93.95.6-179.3-74.1-28.7000114.1S713 L718S713-D716 PolarHBondContact O-N 3.14Å; D716-L718 PolarHBondContact O-N 2.87Å
717L44.6Very low50.2Low145 Ų145113 Ų11376%0.75965%0.647SS**  trans-78.9102.6172.9-68.7172000109.5
718L48.3Very low51.6Low160 Ų160107.6 Ų107.684%0.83862%0.617SS**PPolyproline II helixtrans-55.8136.8167.2-72.8168000109.7D716 M720D716-L718 PolarHBondContact O-N 2.87Å; L718-M720 PolarHBondContact O-N 3.3Å
719P55Low53Low121 Ų121112.2 Ų112.279%0.78662%0.623SS**PPolyproline II helixtrans-60.3135.6178.423.2-31.4000110.2S721P719-S721 PolarHBondContact O-N 3.32Å
720M58.3Low54.9Low109 Ų109111.5 Ų111.554%0.53762%0.617SS.*PPolyproline II helixtrans-56.1133.7179.4-154.5-175.1-67.300110.1L718 V724 L728L718-M720 PolarHBondContact O-N 3.3Å; M720-V724 HydrophobicContact CG-CB 4.05Å; M720-V724 HydrophobicContact CG-CG1 3.82Å; M720-V724 HydrophobicContact SD-CB 4.38Å; M720-V724 HydrophobicContact SD-CG1 3.73Å; M720-L728 HydrophobicContact CE-CD1 4.02Å; M720-L728 HydrophobicContact SD-CD1 3.35Å; M720-L728 WeakPolarHBondContact SD-CD1 3.29Å
721S61.7Low56.6Low55 Ų55109.4 Ų109.439%0.38561%0.611SS.*PPolyproline II helixtrans-61.6146.2-178.169.30000111.7P719 S723 V724 Y725P719-S721 PolarHBondContact O-N 3.32Å; S721-S723 PolarHBondContact O-N 3.05Å; S721-S723 VanDerWaalsContact O-N 3.09Å; S721-S723 PolarHBondContact OG-OG 3Å; S721-V724 PolarHBondContact O-N 2.99Å; S721-V724 VanDerWaalsContact OG-CG2 3.28Å; S721-V724 WeakPolarHBondContact OG-CG2 3.32Å; S721-Y725 PolarHBondContact O-N 3.41Å; S721-Y725 VanDerWaalsContact O-N 3.1Å
722P60.9Low58.1Low113 Ų113107 Ų10773%0.73459%0.592SS**Hα-helixtrans-56.8-30.2-175.8-26.434000114.2A726P722-A726 WeakPolarHBondContact O-CB 3.42Å; P722-A726 PolarHBondContact O-N 3.33Å
723S62.6Low59.6Low80 Ų80101.9 Ų101.956%0.55957%0.573SS**Hα-helixtrans-69.3-39176.844.60000112.6S721 A726 V727S721-S723 PolarHBondContact O-N 3.05Å; S721-S723 VanDerWaalsContact O-N 3.09Å; S721-S723 PolarHBondContact OG-OG 3Å; S723-A726 PolarHBondContact O-N 3.48Å; S723-V727 WeakPolarHBondContact O-CG2 3.41Å; S723-V727 PolarHBondContact O-N 3.47Å
724V66.3Low60.9Low71 Ų71103.7 Ų103.743%0.4358%0.584SS.*Hα-helixtrans-72.9-37.1177.3178.70000110.7M720 S721 V727 L728M720-V724 HydrophobicContact CG-CB 4.05Å; M720-V724 HydrophobicContact CG-CG1 3.82Å; M720-V724 HydrophobicContact SD-CB 4.38Å; M720-V724 HydrophobicContact SD-CG1 3.73Å; S721-V724 PolarHBondContact O-N 2.99Å; S721-V724 VanDerWaalsContact OG-CG2 3.28Å; S721-V724 WeakPolarHBondContact OG-CG2 3.32Å; V724-V727 PolarHBondContact O-N 3.29Å; V724-L728 HydrophobicContact CG1-CD1 4.32Å; V724-L728 PolarHBondContact O-N 3.05Å; V724-L728 VanDerWaalsContact O-N 3.11Å
725Y69.7Low61.8Low101 Ų101102.8 Ų102.840%0.39658%0.577SS.*Hα-helixtrans-64.8-37.7174.3-173.6-100.6000112.6S721 L728 R729S721-Y725 PolarHBondContact O-N 3.41Å; S721-Y725 VanDerWaalsContact O-N 3.1Å; Y725-L728 PolarHBondContact O-N 3.14Å; Y725-R729 PolarHBondContact O-N 3.26Å; Y725-R729 VanDerWaalsContact O-N 3.12Å
726A69.7Low62.9Low51 Ų51101.3 Ų101.342%0.42156%0.563SS.*Hα-helixtrans-63.1-44.7175.700000112.1P722 S723 L728 R729 E730P722-A726 WeakPolarHBondContact O-CB 3.42Å; P722-A726 PolarHBondContact O-N 3.33Å; S723-A726 PolarHBondContact O-N 3.48Å; A726-L728 VanDerWaalsContact C-N 3.31Å; A726-L728 PolarHBondContact O-N 3.19Å; A726-R729 PolarHBondContact O-N 3.07Å; A726-E730 PolarHBondContact O-N 3.22Å
727V71.5Confident63.9Low81 Ų8196.6 Ų96.649%0.49154%0.538SS..Hα-helixtrans-64-35.9177.3173.20000111.7S723 V724 E730 N731S723-V727 WeakPolarHBondContact O-CG2 3.41Å; S723-V727 PolarHBondContact O-N 3.47Å; V724-V727 PolarHBondContact O-N 3.29Å; V727-E730 PolarHBondContact O-N 3.31Å; V727-N731 PolarHBondContact O-N 2.98Å; V727-N731 PolarHBondContact O-ND2 2.87Å
728L64.5Low64.7Low62 Ų6296.3 Ų96.333%0.32553%0.532SS..Hα-helixtrans-68.4-34.4175.8-76.6164000112.5M720 V724 Y725 A726 E730 N731 L732M720-L728 HydrophobicContact CE-CD1 4.02Å; M720-L728 HydrophobicContact SD-CD1 3.35Å; M720-L728 WeakPolarHBondContact SD-CD1 3.29Å; V724-L728 HydrophobicContact CG1-CD1 4.32Å; V724-L728 PolarHBondContact O-N 3.05Å; V724-L728 VanDerWaalsContact O-N 3.11Å; Y725-L728 PolarHBondContact O-N 3.14Å; A726-L728 VanDerWaalsContact C-N 3.31Å; A726-L728 PolarHBondContact O-N 3.19Å; L728-E730 VanDerWaalsContact C-N 3.28Å; L728-E730 PolarHBondContact O-N 3.02Å; L728-N731 PolarHBondContact O-N 2.92Å; L728-L732 HydrophobicContact CD2-CD1 3.77Å; L728-L732 WeakPolarHBondContact O-CB 3.35Å; L728-L732 PolarHBondContact O-N 3.45Å
729R66.8Low65.4Low176 Ų17693.6 Ų93.666%0.66452%0.523SS*.Hα-helixtrans-68.4-24.7174.1-104.1-136.9-71.8177.1-5.4114Y725 A726 I737Y725-R729 PolarHBondContact O-N 3.26Å; Y725-R729 VanDerWaalsContact O-N 3.12Å; A726-R729 PolarHBondContact O-N 3.07Å; R729-I737 HydrophobicContact CG-CD1 4.02Å
730E72.7Confident65.5Low162 Ų16292 Ų9276%0.75752%0.52SS*.Hα-helixtrans-76.9-27.7174.3-71.7-177.5165.800112.4A726 V727 L728A726-E730 PolarHBondContact O-N 3.22Å; V727-E730 PolarHBondContact O-N 3.31Å; L728-E730 VanDerWaalsContact C-N 3.28Å; L728-E730 PolarHBondContact O-N 3.02Å
731N68.1Low65.3Low122 Ų12293.5 Ų93.565%0.65253%0.527SS*.Hα-helixtrans-107.7-12.2-171.7-68.6-71.8000114.5V727 L728V727-N731 PolarHBondContact O-N 2.98Å; V727-N731 PolarHBondContact O-ND2 2.87Å; L728-N731 PolarHBondContact O-N 2.92Å
732L66.7Low64.4Low77 Ų7799.2 Ų99.240%0.40355%0.545SS..SBendtrans-129.8143.5-177.9-64.4169.3000111.4L728 T736 I737L728-L732 HydrophobicContact CD2-CD1 3.77Å; L728-L732 WeakPolarHBondContact O-CB 3.35Å; L728-L732 PolarHBondContact O-N 3.45Å; L732-T736 HydrophobicContact CD2-CG2 4.35Å; L732-I737 HydrophobicContact CB-CD1 4.19Å; L732-I737 HydrophobicContact CB-CG1 3.99Å
733S69.6Low63.5Low52 Ų5297.6 Ų97.636%0.36454%0.537SS..  trans-70.9150177.481.30000111.6T735 T736 I737S733-T735 PolarHBondContact O-N 3.42Å; S733-T735 PolarHBondContact OG-OG1 2.93Å; S733-T736 WeakPolarHBondContact O-CB 3.4Å; S733-T736 PolarHBondContact O-N 3.38Å; S733-T736 PolarHBondContact OG-N 3.02Å; S733-T736 PolarHBondContact OG-OG1 2.77Å; S733-I737 PolarHBondContact O-N 3.09Å
734P66.5Low62.4Low99 Ų9999.7 Ų99.764%0.64355%0.548SS*.Hα-helixtrans-54.3-37.9-179.5-25.333.4000113.4T736 I737 E738P734-T736 PolarHBondContact O-N 2.87Å; P734-I737 PolarHBondContact O-N 3.24Å; P734-E738 PolarHBondContact O-N 2.93Å
735T65.4Low61.4Low94 Ų94106.2 Ų106.258%0.57757%0.567SS**Hα-helixtrans-64.6-37177.170000112.4S733 T739S733-T735 PolarHBondContact O-N 3.42Å; S733-T735 PolarHBondContact OG-OG1 2.93Å; T735-T739 PolarHBondContact O-N 3.08Å; T735-T739 VanDerWaalsContact O-N 3.09Å; T735-T739 PolarHBondContact O-OG1 3.38Å
736T67.4Low60.1Low71 Ų71107 Ų10744%0.43659%0.587SS.*Hα-helixtrans-68.6-38.1177.3-46.70000111.4L732 S733 P734 T739 A740L732-T736 HydrophobicContact CD2-CG2 4.35Å; S733-T736 WeakPolarHBondContact O-CB 3.4Å; S733-T736 PolarHBondContact O-N 3.38Å; S733-T736 PolarHBondContact OG-N 3.02Å; S733-T736 PolarHBondContact OG-OG1 2.77Å; P734-T736 PolarHBondContact O-N 2.87Å; T736-T739 PolarHBondContact O-N 3.03Å; T736-A740 PolarHBondContact O-N 2.78Å
737I65.9Low58.5Low26 Ų26109.1 Ų109.113%0.13360%0.604CS.*Hα-helixtrans-69.3-42.4178.5-62171.5000110.7R729 L732 S733 P734 T739 A740 M741R729-I737 HydrophobicContact CG-CD1 4.02Å; L732-I737 HydrophobicContact CB-CD1 4.19Å; L732-I737 HydrophobicContact CB-CG1 3.99Å; S733-I737 PolarHBondContact O-N 3.09Å; P734-I737 PolarHBondContact O-N 3.24Å; I737-T739 VanDerWaalsContact C-N 3.34Å; I737-T739 PolarHBondContact O-N 3.33Å; I737-A740 PolarHBondContact O-N 3.15Å; I737-M741 PolarHBondContact O-N 2.81Å
738E60.9Low56.7Low139 Ų139118.4 Ų118.465%0.6564%0.642SS**Hα-helixtrans-65.1-35.2175.8-81.6-174.6158.300113.2P734 M741 K742P734-E738 PolarHBondContact O-N 2.93Å; E738-M741 PolarHBondContact O-N 3.17Å; E738-K742 PolarHBondContact O-N 2.96Å
739T63.9Low56.3Low104 Ų104121.2 Ų121.264%0.63866%0.658SS**Hα-helixtrans-70.3-34.7178.9-46.90000111.4T735 T736 I737 M741T735-T739 PolarHBondContact O-N 3.08Å; T735-T739 VanDerWaalsContact O-N 3.09Å; T735-T739 PolarHBondContact O-OG1 3.38Å; T736-T739 PolarHBondContact O-N 3.03Å; I737-T739 VanDerWaalsContact C-N 3.34Å; I737-T739 PolarHBondContact O-N 3.33Å; T739-M741 VanDerWaalsContact C-N 3.33Å
740A56.4Low55.7Low87 Ų87118.3 Ų118.372%0.71966%0.658SS**Hα-helixtrans-73.8-21.6177.400000113.7T736 I737T736-A740 PolarHBondContact O-N 2.78Å; I737-A740 PolarHBondContact O-N 3.15Å
741M53.9Low54.8Low140 Ų140115.9 Ų115.969%0.6965%0.652SS**Hα-helixtrans-89.8-9.1178.1-73.4-160.9166.800114.2I737 E738 T739 S743I737-M741 PolarHBondContact O-N 2.81Å; E738-M741 PolarHBondContact O-N 3.17Å; T739-M741 VanDerWaalsContact C-N 3.33Å; M741-S743 PolarHBondContact O-N 2.9Å
742K43.3Very low54Low175 Ų175115.5 Ų115.576%0.76165%0.652SS**SBendtrans-83.9111.7173-78.7-178176.51780109.9E738E738-K742 PolarHBondContact O-N 2.96Å
743S40.8Very low53.2Low80 Ų80117.9 Ų117.956%0.55967%0.668SS**  trans-58.2141171.1179.30000111M741 Y745M741-S743 PolarHBondContact O-N 2.9Å; S743-Y745 PolarHBondContact O-N 3.49Å; S743-Y745 PolarHBondContact OG-N 3.48Å
744P41.3Very low52.1Low124 Ų124122.3 Ų122.381%0.80569%0.688SS**SBendtrans-72.70.1176.57.92.7000114.3
745Y45.5Very low51.1Low208 Ų208124 Ų12482%0.81669%0.691SS**  trans-107.771.2178.9-71-82.3000111.4S743S743-Y745 PolarHBondContact O-N 3.49Å; S743-Y745 PolarHBondContact OG-N 3.48Å
746S40.8Very low50Low117 Ų117126.3 Ų126.382%0.81870%0.7SS**  trans-163.365.6164.8-71.80000110.2
747A36.2Very low48.5Very low95 Ų95130.9 Ų130.979%0.78572%0.722SS**  trans-168.2117.915200000108.9
748E33.3Very low46.9Very low276 Ų276140.5 Ų140.5100%1.2978%0.775SS**  trans750175.7-61.3-172.8166.700118.4

Retrieved 748 of 748 residues in 437.9 ms (Link to these results)

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