A0A077YY05_TRITR Loading...

BACK domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY05, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 622 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
1M56.7Low71.6Confident124 Ų12458.6 Ų58.661%0.61133%0.327SS*.  0-60.50-161.6169.475.800111.4L3 G4 W5 W492M1-L3 PolarHBondContact O-N 3.24Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-G4 PolarHBondContact O-N 3.18Å; M1-W5 HydrophobicContact CE-CZ2 4.36Å; M1-W492 HydrophobicContact CE-CH2 3.79Å; M1-W492 HydrophobicContact CE-CZ2 3.65Å; M1-W492 HydrophobicContact CE-CZ3 4.42Å
2V60.4Low71.8Confident12 Ų1255.2 Ų55.27%0.07331%0.309CS..G310 helixtrans-54.2-32.2-178.8-175.40000114.3G4 W5 L10 F507 T514V2-G4 PolarHBondContact O-N 3.29Å; V2-G4 VanDerWaalsContact O-N 3.14Å; V2-W5 WeakPolarHBondContact O-CB 3.44Å; V2-W5 PolarHBondContact O-N 3.18Å; V2-W5 VanDerWaalsContact O-N 3.12Å; V2-L10 HydrophobicContact CG1-CD2 3.28Å; V2-F507 HydrophobicContact CG2-CE2 3.77Å; V2-F507 HydrophobicContact CG2-CZ 4.05Å; V2-T514 HydrophobicContact CG1-CG2 4.19Å
3L66.3Low72.3Confident134 Ų13453 Ų5370%0.70230%0.296SS*.G310 helixtrans-58.4-26.5176.1-67.1173.6000113.9M1 T514 K518M1-L3 PolarHBondContact O-N 3.24Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-T514 HydrophobicContact CD2-CG2 4.15Å; L3-K518 VanDerWaalsContact O-CE 3.31Å; L3-K518 WeakPolarHBondContact O-CE 3.01Å; L3-K518 PolarHBondContact O-NZ 3.07Å
4G70.7Confident73Confident70 Ų7049.6 Ų49.672%0.72228%0.277SS*.G310 helixtrans-89.5-5179.500000114.9M1 V2M1-G4 PolarHBondContact O-N 3.18Å; V2-G4 PolarHBondContact O-N 3.29Å; V2-G4 VanDerWaalsContact O-N 3.14Å
5W72.9Confident73.4Confident59 Ų5949.2 Ų49.222%0.22328%0.277CS..SBendtrans-76.8148.2-173.5-74.924000112.7M1 V2 N9 L10 L13 W492 K518M1-W5 HydrophobicContact CE-CZ2 4.36Å; V2-W5 WeakPolarHBondContact O-CB 3.44Å; V2-W5 PolarHBondContact O-N 3.18Å; V2-W5 VanDerWaalsContact O-N 3.12Å; W5-N9 HydrophobicContact CD2-CB 4.43Å; W5-N9 HydrophobicContact CE3-CB 3.76Å; W5-N9 HydrophobicContact CZ3-CB 4.32Å; W5-L10 HydrophobicContact CB-CD1 4.38Å; W5-L10 HydrophobicContact CB-CD2 4.01Å; W5-L10 HydrophobicContact CB-CG 3.85Å; W5-L10 HydrophobicContact CE3-CD2 4.4Å; W5-L13 HydrophobicContact CE3-CD2 4.44Å; W5-L13 HydrophobicContact CH2-CD2 4.49Å; W5-L13 HydrophobicContact CZ3-CB 4.35Å; W5-L13 HydrophobicContact CZ3-CD2 3.91Å; W5-W492 AromaticContact CH2-CZ3 3.91Å; W5-W492 HydrophobicContact CH2-CZ3 3.91Å; W5-W492 HydrophobicContact CZ2-CE3 4.19Å; W5-W492 HydrophobicContact CZ2-CH2 4.49Å; W5-W492 AromaticContact CZ2-CZ3 3.79Å; W5-W492 HydrophobicContact CZ2-CZ3 3.79Å; W5-K518 PolarHBondContact O-NZ 3.22Å
6S78.6Confident73.8Confident58 Ų5848.9 Ų48.941%0.40627%0.273SS..  trans-61.2156.3172.765.40000111.3R8 N9 L10S6-R8 PolarHBondContact O-N 3.12Å; S6-N9 PolarHBondContact O-N 3.46Å; S6-N9 VanDerWaalsContact OG-CG 3.27Å; S6-N9 PolarHBondContact OG-N 2.69Å; S6-N9 PolarHBondContact OG-OD1 3.06Å; S6-L10 WeakPolarHBondContact O-CG 3.3Å; S6-L10 PolarHBondContact O-N 3.26Å; S6-L10 VanDerWaalsContact O-N 3.12Å
7L77.8Confident74.5Confident8 Ų846.2 Ų46.24%0.04226%0.257CS..Hα-helixtrans-58.1-37.8176.4-171.768.3000111.4L10 H11 F515 K518 A519 E525 L529L7-L10 PolarHBondContact O-N 2.65Å; L7-H11 WeakPolarHBondContact O-CB 3.11Å; L7-H11 PolarHBondContact O-N 2.91Å; L7-F515 HydrophobicContact CD1-CD2 3.89Å; L7-F515 HydrophobicContact CD1-CE2 3.9Å; L7-F515 HydrophobicContact CG-CE2 4.38Å; L7-K518 HydrophobicContact CD1-CB 3.75Å; L7-A519 HydrophobicContact CD1-CB 4.16Å; L7-E525 WeakPolarHBondContact CB-OE2 3.25Å; L7-E525 HydrophobicContact CD2-CB 3.59Å; L7-L529 HydrophobicContact CD2-CD1 3.86Å; L7-L529 HydrophobicContact CG-CD1 3.82Å
8R74.7Confident75.1Confident63 Ų6347.1 Ų47.124%0.23826%0.259CS..Hα-helixtrans-58.5-53.1174.8-177.667.8178.8-160.24.5112.6S6 L10 H11 C12 L529S6-R8 PolarHBondContact O-N 3.12Å; R8-L10 VanDerWaalsContact C-N 3.26Å; R8-L10 PolarHBondContact O-N 2.98Å; R8-H11 WeakPolarHBondContact O-CB 3.24Å; R8-H11 PolarHBondContact O-N 3.06Å; R8-C12 PolarHBondContact O-N 2.92Å; R8-C12 PolarHBondContact O-SG 3.05Å; R8-L529 HydrophobicContact CB-CD2 3.85Å; R8-L529 HydrophobicContact CG-CD2 4.09Å
9N76Confident75.4Confident56 Ų5644.6 Ų44.630%0.29925%0.246SC..Hα-helixtrans-64.5-35.6-177.5-68.81.9000111.5W5 S6 L13W5-N9 HydrophobicContact CD2-CB 4.43Å; W5-N9 HydrophobicContact CE3-CB 3.76Å; W5-N9 HydrophobicContact CZ3-CB 4.32Å; S6-N9 PolarHBondContact O-N 3.46Å; S6-N9 VanDerWaalsContact OG-CG 3.27Å; S6-N9 PolarHBondContact OG-N 2.69Å; S6-N9 PolarHBondContact OG-OD1 3.06Å; N9-L13 WeakPolarHBondContact O-CB 3.44Å; N9-L13 PolarHBondContact O-N 3.35Å
10L75.4Confident75.9Confident1 Ų143.3 Ų43.31%0.00524%0.239CC..Hα-helixtrans-66.7-43174.3-71.4170.4000112.2V2 W5 S6 L7 R8 L13 V14 T514 F515 K518V2-L10 HydrophobicContact CG1-CD2 3.28Å; W5-L10 HydrophobicContact CB-CD1 4.38Å; W5-L10 HydrophobicContact CB-CD2 4.01Å; W5-L10 HydrophobicContact CB-CG 3.85Å; W5-L10 HydrophobicContact CE3-CD2 4.4Å; S6-L10 WeakPolarHBondContact O-CG 3.3Å; S6-L10 PolarHBondContact O-N 3.26Å; S6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 2.65Å; R8-L10 VanDerWaalsContact C-N 3.26Å; R8-L10 PolarHBondContact O-N 2.98Å; L10-L13 PolarHBondContact O-N 3.06Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.24Å; L10-V14 PolarHBondContact O-N 3.02Å; L10-T514 HydrophobicContact CD1-CG2 4.11Å; L10-T514 HydrophobicContact CD2-CG2 4.42Å; L10-F515 HydrophobicContact CB-CB 4.27Å; L10-F515 HydrophobicContact CB-CD2 4.14Å; L10-K518 HydrophobicContact CD1-CD 3.59Å; L10-K518 HydrophobicContact CD1-CG 4.49Å
11H77.7Confident76.6Confident60 Ų6042.2 Ų42.228%0.27823%0.233SC..Hα-helixtrans-59-50.4176.4178.856.4000110.9L7 R8 L13 V14 V15 F515 L529L7-H11 WeakPolarHBondContact O-CB 3.11Å; L7-H11 PolarHBondContact O-N 2.91Å; R8-H11 WeakPolarHBondContact O-CB 3.24Å; R8-H11 PolarHBondContact O-N 3.06Å; H11-L13 PolarHBondContact O-N 3.45Å; H11-V14 PolarHBondContact O-N 3.3Å; H11-V14 VanDerWaalsContact O-N 3.11Å; H11-V15 WeakPolarHBondContact O-CG2 3.32Å; H11-V15 PolarHBondContact O-N 2.92Å; H11-F515 HydrophobicContact CB-CD2 4.17Å; H11-F515 HydrophobicContact CB-CE2 3.61Å; H11-F515 HydrophobicContact CB-CZ 4.21Å; H11-F515 AromaticContact ND1-CE2 3.93Å; H11-F515 AromaticContact ND1-CZ 3.6Å; H11-L529 HydrophobicContact CB-CD1 4.03Å
12C74.6Confident78Confident17 Ų1736.3 Ų36.312%0.11520%0.204CC..Hα-helixtrans-59.4-46178.7-62.60000111.8R8 V14 V15 E16 L546R8-C12 PolarHBondContact O-N 2.92Å; R8-C12 PolarHBondContact O-SG 3.05Å; C12-V14 VanDerWaalsContact C-N 3.29Å; C12-V14 PolarHBondContact O-N 2.75Å; C12-V15 PolarHBondContact O-N 3.14Å; C12-E16 WeakPolarHBondContact O-CG 3.47Å; C12-E16 PolarHBondContact O-N 3.45Å; C12-L546 HydrophobicContact CB-CD2 3.34Å; C12-L546 WeakPolarHBondContact SG-CD2 3Å
13L77.6Confident79.3Confident27 Ų2736 Ų3614%0.14120%0.202CC..Hα-helixtrans-59.1-39.3175.3-179.263.8000112.5W5 N9 L10 H11 F17 F507 A511W5-L13 HydrophobicContact CE3-CD2 4.44Å; W5-L13 HydrophobicContact CH2-CD2 4.49Å; W5-L13 HydrophobicContact CZ3-CB 4.35Å; W5-L13 HydrophobicContact CZ3-CD2 3.91Å; N9-L13 WeakPolarHBondContact O-CB 3.44Å; N9-L13 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.06Å; H11-L13 PolarHBondContact O-N 3.45Å; L13-F17 HydrophobicContact CD1-CD2 4.09Å; L13-F17 HydrophobicContact CD1-CE2 3.51Å; L13-F17 HydrophobicContact CD1-CZ 3.78Å; L13-F17 HydrophobicContact CD2-CE2 4.03Å; L13-F17 HydrophobicContact CG-CD2 3.94Å; L13-F17 HydrophobicContact CG-CE2 3.56Å; L13-F17 HydrophobicContact CG-CZ 4.33Å; L13-F17 VanDerWaalsContact O-CD2 3.23Å; L13-F17 WeakPolarHBondContact O-CD2 3.47Å; L13-F17 WeakPolarHBondContact O-CG 3.25Å; L13-F17 PolarHBondContact O-N 3.44Å; L13-F507 HydrophobicContact CD2-CZ 4.45Å; L13-A511 HydrophobicContact CD2-CB 4.19Å
14V82.2Confident80.5Confident5 Ų532.5 Ų32.53%0.0318%0.179CC..Hα-helixtrans-67.6-41.8177169.10000111.4L10 H11 C12 F17 E18 K512 F515L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.24Å; L10-V14 PolarHBondContact O-N 3.02Å; H11-V14 PolarHBondContact O-N 3.3Å; H11-V14 VanDerWaalsContact O-N 3.11Å; C12-V14 VanDerWaalsContact C-N 3.29Å; C12-V14 PolarHBondContact O-N 2.75Å; V14-F17 PolarHBondContact O-N 2.98Å; V14-E18 HydrophobicContact CG1-CG 4.39Å; V14-E18 WeakPolarHBondContact O-CG 3.38Å; V14-E18 PolarHBondContact O-N 3.27Å; V14-K512 HydrophobicContact CG2-CB 4.48Å; V14-F515 HydrophobicContact CG2-CB 3.83Å; V14-F515 HydrophobicContact CG2-CD1 4.35Å; V14-F515 HydrophobicContact CG2-CG 4.17Å
15V79.7Confident81.4Confident44 Ų4431.2 Ų31.227%0.26716%0.156SC..Hα-helixtrans-61.3-46.1176170.80000110.9H11 C12 F17 E18 A19 C597H11-V15 WeakPolarHBondContact O-CG2 3.32Å; H11-V15 PolarHBondContact O-N 2.92Å; C12-V15 PolarHBondContact O-N 3.14Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 3.07Å; V15-E18 PolarHBondContact O-N 3.07Å; V15-E18 VanDerWaalsContact O-N 3.15Å; V15-A19 PolarHBondContact O-N 3.43Å; V15-C597 HydrophobicContact CG1-CB 4.19Å
16E79.7Confident82.1Confident45 Ų4529.2 Ų29.221%0.2115%0.15CC..Hα-helixtrans-58.9-41.3175.5-72.2-63.4134.300112.1C12 A19 S20 H602C12-E16 WeakPolarHBondContact O-CG 3.47Å; C12-E16 PolarHBondContact O-N 3.45Å; E16-A19 PolarHBondContact O-N 3.37Å; E16-S20 WeakPolarHBondContact O-CB 3.28Å; E16-S20 PolarHBondContact O-N 2.92Å; E16-S20 PolarHBondContact O-OG 3.09Å; E16-H602 IonicContact OE2-CE1 2.81Å; E16-H602 PolarHBondContact OE2-CE1 3.21Å; E16-H602 IonicContact OE2-ND1 3.72Å
17F85.2Confident82.6Confident2 Ų227.4 Ų27.41%0.00914%0.136CC..Hα-helixtrans-70.2-35.4175-75.3-43.3000113.5L13 V14 V15 A19 S20 L21 P501 L503 F507 Y508 A511L13-F17 HydrophobicContact CD1-CD2 4.09Å; L13-F17 HydrophobicContact CD1-CE2 3.51Å; L13-F17 HydrophobicContact CD1-CZ 3.78Å; L13-F17 HydrophobicContact CD2-CE2 4.03Å; L13-F17 HydrophobicContact CG-CD2 3.94Å; L13-F17 HydrophobicContact CG-CE2 3.56Å; L13-F17 HydrophobicContact CG-CZ 4.33Å; L13-F17 VanDerWaalsContact O-CD2 3.23Å; L13-F17 WeakPolarHBondContact O-CD2 3.47Å; L13-F17 WeakPolarHBondContact O-CG 3.25Å; L13-F17 PolarHBondContact O-N 3.44Å; V14-F17 PolarHBondContact O-N 2.98Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 3.07Å; F17-A19 VanDerWaalsContact C-N 3.31Å; F17-S20 PolarHBondContact O-N 3.48Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 WeakPolarHBondContact O-CG 3.44Å; F17-L21 PolarHBondContact O-N 3.24Å; F17-P501 HydrophobicContact CE1-CG 4.44Å; F17-L503 HydrophobicContact CB-CD1 4.24Å; F17-L503 HydrophobicContact CD1-CD1 3.64Å; F17-L503 HydrophobicContact CE1-CD1 4.39Å; F17-L503 HydrophobicContact CG-CD1 4.25Å; F17-F507 HydrophobicContact CE1-CD1 4.45Å; F17-F507 AromaticContact CE2-CD1 3.87Å; F17-F507 HydrophobicContact CE2-CD1 3.87Å; F17-F507 AromaticContact CE2-CE1 3.84Å; F17-F507 HydrophobicContact CE2-CE1 3.84Å; F17-F507 AromaticContact CZ-CD1 3.44Å; F17-F507 HydrophobicContact CZ-CD1 3.44Å; F17-F507 VanDerWaalsContact CZ-CD1 3.44Å; F17-F507 AromaticContact CZ-CE1 3.51Å; F17-F507 HydrophobicContact CZ-CE1 3.51Å; F17-Y508 HydrophobicContact CB-CD2 3.27Å; F17-Y508 HydrophobicContact CB-CE2 3.71Å; F17-Y508 HydrophobicContact CB-CG 4.19Å; F17-Y508 AromaticContact CD2-CD2 3.84Å; F17-Y508 HydrophobicContact CD2-CD2 3.84Å; F17-Y508 AromaticContact CG-CD2 3.79Å; F17-Y508 HydrophobicContact CG-CD2 3.79Å; F17-Y508 HydrophobicContact CG-CG 4.48Å; F17-A511 HydrophobicContact CD2-CB 4.36Å; F17-A511 HydrophobicContact CE2-CB 4.17Å
18E85.1Confident83.1Confident62 Ų6229.1 Ų29.129%0.2915%0.152SC..Hα-helixtrans-67.8-33.4176.3-75.3179.9167.700111.9V14 V15 A22 Y508 K512V14-E18 HydrophobicContact CG1-CG 4.39Å; V14-E18 WeakPolarHBondContact O-CG 3.38Å; V14-E18 PolarHBondContact O-N 3.27Å; V15-E18 PolarHBondContact O-N 3.07Å; V15-E18 VanDerWaalsContact O-N 3.15Å; E18-A22 PolarHBondContact O-N 2.75Å; E18-Y508 HydrophobicContact CG-CE2 4.09Å; E18-Y508 WeakPolarHBondContact CG-OH 3.37Å; E18-Y508 PolarHBondContact OE1-OH 3.48Å; E18-K512 IonicContact OE1-NZ 2.83Å; E18-K512 PolarHBondContact OE1-NZ 2.96Å
19A81Confident83.8Confident1 Ų129.9 Ų29.91%0.00817%0.166CC..Hα-helixtrans-69.2-43.4170.200000112V15 E16 F17 L21 A22 L23 C597V15-A19 PolarHBondContact O-N 3.43Å; E16-A19 PolarHBondContact O-N 3.37Å; F17-A19 VanDerWaalsContact C-N 3.31Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.16Å; A19-A22 WeakPolarHBondContact O-CB 3.45Å; A19-A22 PolarHBondContact O-N 3.32Å; A19-L23 PolarHBondContact O-N 3.07Å; A19-C597 HydrophobicContact CB-CB 3.57Å
20S86.3Confident84.3Confident17 Ų1727.2 Ų27.212%0.11915%0.152CC..Hα-helixtrans-63.5-35.3175.7-55.40000112.1E16 F17 L23 R24 F385 H602E16-S20 WeakPolarHBondContact O-CB 3.28Å; E16-S20 PolarHBondContact O-N 2.92Å; E16-S20 PolarHBondContact O-OG 3.09Å; F17-S20 PolarHBondContact O-N 3.48Å; S20-L23 WeakPolarHBondContact O-CB 3.4Å; S20-L23 PolarHBondContact O-N 3.12Å; S20-R24 WeakPolarHBondContact O-CB 3.3Å; S20-R24 PolarHBondContact O-N 3.23Å; S20-F385 WeakPolarHBondContact O-CE1 3.2Å; S20-H602 PolarHBondContact N-NE2 3.16Å; S20-H602 PolarHBondContact OG-NE2 2.87Å
21L89.8Confident85Confident22 Ų2229 Ų2912%0.11516%0.162CC..Hα-helixtrans-63-45172.9-85.6164.3000111.6F17 A19 L23 R24 D25 L503 M505 Y508F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 WeakPolarHBondContact O-CG 3.44Å; F17-L21 PolarHBondContact O-N 3.24Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.16Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 3.03Å; L21-R24 WeakPolarHBondContact O-CB 3.41Å; L21-R24 PolarHBondContact O-N 3.43Å; L21-D25 VanDerWaalsContact O-CG 3.3Å; L21-D25 PolarHBondContact O-N 3.38Å; L21-D25 VanDerWaalsContact O-N 3.07Å; L21-L503 HydrophobicContact CB-CD2 4.41Å; L21-L503 HydrophobicContact CD2-CD2 3.84Å; L21-L503 HydrophobicContact CG-CD1 4.19Å; L21-L503 HydrophobicContact CG-CD2 3.88Å; L21-M505 HydrophobicContact CD2-CE 4.03Å; L21-M505 HydrophobicContact CD2-SD 3.64Å; L21-Y508 HydrophobicContact CD1-CD1 3.81Å; L21-Y508 HydrophobicContact CD1-CD2 4.36Å; L21-Y508 HydrophobicContact CD1-CE1 3.32Å; L21-Y508 HydrophobicContact CD1-CE2 3.87Å; L21-Y508 HydrophobicContact CD1-CG 4.3Å
22A86.2Confident85.5Confident0 Ų031.2 Ų31.20%018%0.175CC..Hα-helixtrans-62.7-41.2174.500000111.5E18 A19 R24 D25 I26 F590 R593 A594E18-A22 PolarHBondContact O-N 2.75Å; A19-A22 WeakPolarHBondContact O-CB 3.45Å; A19-A22 PolarHBondContact O-N 3.32Å; A22-R24 VanDerWaalsContact C-N 3.31Å; A22-R24 PolarHBondContact O-N 3.35Å; A22-D25 PolarHBondContact O-N 3.37Å; A22-I26 WeakPolarHBondContact O-CG1 3.42Å; A22-I26 PolarHBondContact O-N 3.21Å; A22-F590 HydrophobicContact CB-CB 4.3Å; A22-F590 WeakPolarHBondContact CB-O 3.39Å; A22-R593 HydrophobicContact CB-CB 4.03Å; A22-R593 HydrophobicContact CB-CG 4.21Å; A22-A594 HydrophobicContact CB-CB 4.07Å
23L87.7Confident86.1Confident4 Ų431.1 Ų31.12%0.02118%0.176CC..Hα-helixtrans-61.3-39.3175.1-167.270.1000112.1A19 S20 L21 I26 T27 F385 Y601 A605 V606 L609A19-L23 PolarHBondContact O-N 3.07Å; S20-L23 WeakPolarHBondContact O-CB 3.4Å; S20-L23 PolarHBondContact O-N 3.12Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 3.03Å; L23-I26 PolarHBondContact O-N 3.41Å; L23-T27 WeakPolarHBondContact O-CB 3.42Å; L23-T27 PolarHBondContact O-N 3.37Å; L23-T27 PolarHBondContact O-OG1 2.85Å; L23-F385 HydrophobicContact CB-CE1 4.44Å; L23-F385 HydrophobicContact CB-CZ 4.04Å; L23-F385 HydrophobicContact CD2-CZ 3.86Å; L23-F385 HydrophobicContact CG-CZ 3.81Å; L23-Y601 HydrophobicContact CD2-CE1 4.34Å; L23-A605 HydrophobicContact CD1-CB 3.77Å; L23-A605 HydrophobicContact CD2-CB 3.71Å; L23-A605 HydrophobicContact CG-CB 4.38Å; L23-V606 HydrophobicContact CD1-CG2 3.9Å; L23-L609 HydrophobicContact CD1-CD1 3.32Å; L23-L609 HydrophobicContact CG-CD1 3.92Å
24R91Very high86.7Confident61 Ų6132.5 Ų32.523%0.2318%0.179CC..Hα-helixtrans-61-45.4174.4-173.6-163.467.7168.64.6111.4S20 L21 A22 I26 T27 A28 F385 L503S20-R24 WeakPolarHBondContact O-CB 3.3Å; S20-R24 PolarHBondContact O-N 3.23Å; L21-R24 WeakPolarHBondContact O-CB 3.41Å; L21-R24 PolarHBondContact O-N 3.43Å; A22-R24 VanDerWaalsContact C-N 3.31Å; A22-R24 PolarHBondContact O-N 3.35Å; R24-I26 VanDerWaalsContact C-N 3.32Å; R24-I26 PolarHBondContact O-N 2.9Å; R24-T27 PolarHBondContact O-N 2.79Å; R24-A28 WeakPolarHBondContact O-CB 3.46Å; R24-A28 PolarHBondContact O-N 2.81Å; R24-F385 HydrophobicContact CB-CD1 3.55Å; R24-F385 HydrophobicContact CB-CD2 4.45Å; R24-F385 HydrophobicContact CB-CE1 3.66Å; R24-F385 HydrophobicContact CB-CG 3.98Å; R24-F385 HydrophobicContact CB-CZ 4.18Å; R24-F385 HydrophobicContact CG-CB 4.01Å; R24-F385 HydrophobicContact CG-CD1 3.78Å; R24-F385 HydrophobicContact CG-CD2 4.32Å; R24-F385 HydrophobicContact CG-CE1 4.37Å; R24-F385 HydrophobicContact CG-CG 3.75Å; R24-L503 HydrophobicContact CB-CD2 4.17Å
25D89.2Confident87Confident44 Ų4435.6 Ų35.624%0.23520%0.199CC..Hα-helixtrans-66.9-35.5-178.5-61.5-18.8000111.2L21 A22 S29 F590L21-D25 VanDerWaalsContact O-CG 3.3Å; L21-D25 PolarHBondContact O-N 3.38Å; L21-D25 VanDerWaalsContact O-N 3.07Å; A22-D25 PolarHBondContact O-N 3.37Å; D25-S29 PolarHBondContact O-N 2.98Å; D25-S29 VanDerWaalsContact O-N 3.08Å; D25-S29 PolarHBondContact O-OG 3.38Å; D25-F590 HydrophobicContact CB-CD1 3.98Å; D25-F590 HydrophobicContact CB-CE1 4.06Å; D25-F590 HydrophobicContact CB-CG 4.47Å; D25-F590 VanDerWaalsContact OD2-CE1 3.27Å; D25-F590 WeakPolarHBondContact OD2-CE1 3.4Å
26I88.1Confident87.4Confident16 Ų1641.1 Ų41.18%0.08222%0.22CC..Hα-helixtrans-66.2-45170.6-63.4163.7000110.8A22 L23 R24 A28 S29 A30 F590 V591 A594 V606 L609A22-I26 WeakPolarHBondContact O-CG1 3.42Å; A22-I26 PolarHBondContact O-N 3.21Å; L23-I26 PolarHBondContact O-N 3.41Å; R24-I26 VanDerWaalsContact C-N 3.32Å; R24-I26 PolarHBondContact O-N 2.9Å; I26-A28 PolarHBondContact O-N 3.45Å; I26-S29 WeakPolarHBondContact O-CB 3.41Å; I26-S29 PolarHBondContact O-N 3.1Å; I26-S29 VanDerWaalsContact O-N 3.12Å; I26-A30 PolarHBondContact O-N 2.91Å; I26-F590 HydrophobicContact CD1-CB 4.2Å; I26-F590 HydrophobicContact CG1-CB 3.97Å; I26-V591 HydrophobicContact CD1-CB 4.47Å; I26-V591 HydrophobicContact CD1-CG2 3.81Å; I26-V591 HydrophobicContact CG1-CG2 4.39Å; I26-A594 HydrophobicContact CD1-CB 4.49Å; I26-V606 HydrophobicContact CD1-CG2 4.24Å; I26-L609 HydrophobicContact CG2-CB 3.96Å; I26-L609 HydrophobicContact CG2-CD1 4.08Å
27T89Confident88Confident21 Ų2139.6 Ų39.613%0.12921%0.214CC..Hα-helixtrans-61.5-44.3178.5-55.90000111.1L23 R24 S29 A30 D31 F385 L609L23-T27 WeakPolarHBondContact O-CB 3.42Å; L23-T27 PolarHBondContact O-N 3.37Å; L23-T27 PolarHBondContact O-OG1 2.85Å; R24-T27 PolarHBondContact O-N 2.79Å; T27-S29 VanDerWaalsContact C-N 3.27Å; T27-S29 PolarHBondContact O-N 3.41Å; T27-A30 WeakPolarHBondContact O-CB 3.4Å; T27-A30 PolarHBondContact O-N 3.48Å; T27-A30 VanDerWaalsContact O-N 3.12Å; T27-D31 PolarHBondContact O-N 3.07Å; T27-F385 HydrophobicContact CG2-CD2 4.12Å; T27-F385 HydrophobicContact CG2-CE2 3.89Å; T27-F385 WeakPolarHBondContact OG1-CE2 3.38Å; T27-L609 HydrophobicContact CG2-CD2 4.23Å; T27-L609 WeakPolarHBondContact OG1-CD1 3.44Å
28A90Very high88.5Confident44 Ų4441.3 Ų41.336%0.36423%0.226SC..Hα-helixtrans-60.8-38.1174.700000111.8R24 I26 D31 L32R24-A28 WeakPolarHBondContact O-CB 3.46Å; R24-A28 PolarHBondContact O-N 2.81Å; I26-A28 PolarHBondContact O-N 3.45Å; A28-D31 PolarHBondContact O-N 2.95Å; A28-L32 WeakPolarHBondContact O-CB 3.37Å; A28-L32 VanDerWaalsContact O-CG 3.25Å; A28-L32 WeakPolarHBondContact O-CG 3.29Å; A28-L32 PolarHBondContact O-N 3.5Å; A28-L32 VanDerWaalsContact O-N 3.13Å
29S88Confident89Confident78 Ų7839.8 Ų39.855%0.54522%0.222SC..Hα-helixtrans-66.4-39.8174.6-570000111.9D25 I26 T27 L32 A33D25-S29 PolarHBondContact O-N 2.98Å; D25-S29 VanDerWaalsContact O-N 3.08Å; D25-S29 PolarHBondContact O-OG 3.38Å; I26-S29 WeakPolarHBondContact O-CB 3.41Å; I26-S29 PolarHBondContact O-N 3.1Å; I26-S29 VanDerWaalsContact O-N 3.12Å; T27-S29 VanDerWaalsContact C-N 3.27Å; T27-S29 PolarHBondContact O-N 3.41Å; S29-L32 PolarHBondContact O-N 2.59Å; S29-A33 PolarHBondContact O-N 3Å; S29-A33 VanDerWaalsContact O-N 3.11Å
30A87Confident89.7Confident0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-65.1-43.9175.200000111.8I26 T27 L32 A33 L609 T613I26-A30 PolarHBondContact O-N 2.91Å; T27-A30 WeakPolarHBondContact O-CB 3.4Å; T27-A30 PolarHBondContact O-N 3.48Å; T27-A30 VanDerWaalsContact O-N 3.12Å; A30-L32 VanDerWaalsContact C-N 3.26Å; A30-L32 PolarHBondContact O-N 2.96Å; A30-A33 VanDerWaalsContact O-CB 3.26Å; A30-A33 WeakPolarHBondContact O-CB 3.24Å; A30-A33 PolarHBondContact O-N 3.3Å; A30-L609 HydrophobicContact CB-CD2 4.19Å; A30-T613 WeakPolarHBondContact CB-OG1 3.43Å
31D89.1Confident90.2Very high39 Ų3941.9 Ų41.921%0.20923%0.23CC..Hα-helixtrans-60.9-38.4178.2-73.5-29.2000111.4T27 A28 A33 R350T27-D31 PolarHBondContact O-N 3.07Å; A28-D31 PolarHBondContact O-N 2.95Å; D31-A33 VanDerWaalsContact C-N 3.33Å; D31-R350 HydrophobicContact CB-CB 4.39Å; D31-R350 PolarHBondContact O-NE 3.5Å; D31-R350 PolarHBondContact O-NH2 3.12Å
32L88.5Confident90.5Very high107 Ų10744.7 Ų44.756%0.5624%0.242SC*.Hα-helixtrans-78.5-12.3177.3-67.5174.4000114.1A28 S29 A30 Y347A28-L32 WeakPolarHBondContact O-CB 3.37Å; A28-L32 VanDerWaalsContact O-CG 3.25Å; A28-L32 WeakPolarHBondContact O-CG 3.29Å; A28-L32 PolarHBondContact O-N 3.5Å; A28-L32 VanDerWaalsContact O-N 3.13Å; S29-L32 PolarHBondContact O-N 2.59Å; A30-L32 VanDerWaalsContact C-N 3.26Å; A30-L32 PolarHBondContact O-N 2.96Å; L32-Y347 HydrophobicContact CD2-CE2 4.34Å
33A88.7Confident91Very high15 Ų1544.8 Ų44.812%0.12424%0.243CC..  trans-67.9136.4-175.300000112S29 A30 D31 R350 T613 V617S29-A33 PolarHBondContact O-N 3Å; S29-A33 VanDerWaalsContact O-N 3.11Å; A30-A33 VanDerWaalsContact O-CB 3.26Å; A30-A33 WeakPolarHBondContact O-CB 3.24Å; A30-A33 PolarHBondContact O-N 3.3Å; D31-A33 VanDerWaalsContact C-N 3.33Å; A33-R350 PolarHBondContact O-NH2 2.86Å; A33-T613 HydrophobicContact CB-CG2 3.98Å; A33-V617 HydrophobicContact CB-CG2 4.2Å
34R89.6Confident91.4Very high56 Ų5644.7 Ų44.721%0.21124%0.242CC..  trans-140.7156.3175.8-69.3-179.7-77.7-173.8-2.6109.1K36 Q317 E320 D321 Y347R34-K36 PolarHBondContact O-N 2.99Å; R34-Q317 PolarHBondContact NH1-O 2.89Å; R34-E320 WeakPolarHBondContact CD-OE2 3.32Å; R34-E320 IonicContact CZ-OE2 3.47Å; R34-E320 IonicContact NE-OE2 3.45Å; R34-E320 IonicContact NH1-OE2 2.77Å; R34-E320 PolarHBondContact NH1-OE2 3.15Å; R34-E320 VanDerWaalsContact NH1-OE2 3.1Å; R34-D321 IonicContact CZ-OD1 2.63Å; R34-D321 IonicContact NH1-OD1 3.36Å; R34-D321 PolarHBondContact NH1-OD1 3.42Å; R34-D321 IonicContact NH2-OD1 2.63Å; R34-D321 PolarHBondContact NH2-OD1 3.29Å; R34-D321 IonicContact NH2-OD2 3.47Å; R34-Y347 VanDerWaalsContact CD-CD2 3.46Å; R34-Y347 HydrophobicContact CG-CD2 3.44Å; R34-Y347 VanDerWaalsContact CG-CD2 3.44Å; R34-Y347 HydrophobicContact CG-CE2 4.06Å; R34-Y347 HydrophobicContact CG-CG 3.82Å
35P87.4Confident91.7Very high70 Ų7042.1 Ų42.146%0.45523%0.234SC..PPolyproline II helixtrans-54139.3168.9-24.433.7000110.4A37 Q317 D616P35-A37 PolarHBondContact O-N 3.41Å; P35-A37 VanDerWaalsContact O-N 3.13Å; P35-Q317 PolarHBondContact O-NE2 3.32Å; P35-D616 WeakPolarHBondContact CD-O 3.46Å
36K87.8Confident92Very high160 Ų16044.5 Ų44.570%0.69624%0.24SC*.PPolyproline II helixtrans-66.6117.2178.1-174.7-176.6171.9-166.60109.5R34 E42R34-K36 PolarHBondContact O-N 2.99Å; K36-E42 IonicContact NZ-OE1 2.88Å; K36-E42 PolarHBondContact NZ-OE1 3.45Å; K36-E42 IonicContact NZ-OE2 3.63Å
37A93.2Very high92.3Very high12 Ų1243.7 Ų43.710%0.09924%0.236CC..PPolyproline II helixtrans-77.4131.8170.900000109.8P35 S39 P313 I314P35-A37 PolarHBondContact O-N 3.41Å; P35-A37 VanDerWaalsContact O-N 3.13Å; A37-S39 PolarHBondContact O-N 3.3Å; A37-P313 HydrophobicContact CB-CB 3.7Å; A37-I314 HydrophobicContact CB-CD1 3.51Å; A37-I314 HydrophobicContact CB-CG1 4Å
38P94.7Very high92.6Very high39 Ų3943.6 Ų43.625%0.25323%0.233SC..PPolyproline II helixtrans-69132.5177.929.1-33.8000110E42 D43 R217 I314P38-E42 WeakPolarHBondContact CA-OE2 3.45Å; P38-D43 WeakPolarHBondContact CB-OD1 3.33Å; P38-R217 PolarHBondContact O-NH1 3.14Å; P38-I314 VanDerWaalsContact O-CG1 3.31Å; P38-I314 WeakPolarHBondContact O-CG1 3.47Å
39S96.1Very high92.9Very high29 Ų2949 Ų4920%0.20324%0.244CC..PPolyproline II helixtrans-69.7159.6173.470.70000110.6A37 Q41 E42 D43 D263A37-S39 PolarHBondContact O-N 3.3Å; S39-Q41 PolarHBondContact O-N 2.99Å; S39-E42 PolarHBondContact N-OE2 3.09Å; S39-E42 PolarHBondContact O-N 3.41Å; S39-E42 VanDerWaalsContact O-N 3.08Å; S39-E42 WeakPolarHBondContact OG-CG 3.29Å; S39-E42 PolarHBondContact OG-N 3.08Å; S39-E42 VanDerWaalsContact OG-N 3.11Å; S39-D43 WeakPolarHBondContact O-CB 3.39Å; S39-D43 PolarHBondContact O-N 2.93Å; S39-D263 WeakPolarHBondContact CB-OD2 3.31Å
40L96.7Very high93.1Very high2 Ų250.9 Ų50.91%0.0124%0.244CC..Hα-helixtrans-53.6-37.7172.717861.4000111.4D43 L44 W146 I150 Y261 D263L40-D43 PolarHBondContact O-N 3.45Å; L40-L44 HydrophobicContact CD1-CD1 4.02Å; L40-L44 HydrophobicContact CD1-CG 4.12Å; L40-L44 HydrophobicContact CG-CD1 4.05Å; L40-L44 HydrophobicContact CG-CG 4.47Å; L40-L44 WeakPolarHBondContact O-CB 3.42Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.11Å; L40-L44 PolarHBondContact O-N 2.91Å; L40-W146 HydrophobicContact CB-CH2 4.38Å; L40-W146 HydrophobicContact CD2-CH2 4.04Å; L40-W146 HydrophobicContact CD2-CZ3 4.42Å; L40-W146 HydrophobicContact CG-CH2 3.92Å; L40-I150 HydrophobicContact CD2-CG2 3.77Å; L40-Y261 WeakPolarHBondContact CD2-O 3.35Å; L40-D263 WeakPolarHBondContact CB-OD2 3.14Å; L40-D263 VanDerWaalsContact N-CG 3.27Å; L40-D263 PolarHBondContact N-OD1 3.23Å; L40-D263 PolarHBondContact N-OD2 3.16Å
41Q95.8Very high93.4Very high60 Ų6053 Ų5328%0.2826%0.259SS..Hα-helixtrans-66.9-43.4177.7-171.4-178.848.800112.4S39 D43 L44 A45 T117 I119 W146S39-Q41 PolarHBondContact O-N 2.99Å; Q41-D43 VanDerWaalsContact C-N 3.33Å; Q41-L44 PolarHBondContact O-N 3Å; Q41-A45 WeakPolarHBondContact O-CB 3.28Å; Q41-A45 PolarHBondContact O-N 3.22Å; Q41-T117 WeakPolarHBondContact CG-O 3.39Å; Q41-T117 PolarHBondContact NE2-O 3.14Å; Q41-I119 VanDerWaalsContact CD-CD1 3.43Å; Q41-I119 HydrophobicContact CG-CD1 4.36Å; Q41-I119 VanDerWaalsContact NE2-CG1 3.29Å; Q41-W146 HydrophobicContact CB-CH2 3.93Å; Q41-W146 HydrophobicContact CB-CZ2 4.41Å; Q41-W146 HydrophobicContact CB-CZ3 4.47Å; Q41-W146 HydrophobicContact CG-CH2 4.47Å
42E96.5Very high93.3Very high81 Ų8151.5 Ų51.538%0.37925%0.251SS..Hα-helixtrans-65.2-39.3175-72.9174.816000111.2K36 P38 S39 A45 R46K36-E42 IonicContact NZ-OE1 2.88Å; K36-E42 PolarHBondContact NZ-OE1 3.45Å; K36-E42 IonicContact NZ-OE2 3.63Å; P38-E42 WeakPolarHBondContact CA-OE2 3.45Å; S39-E42 PolarHBondContact N-OE2 3.09Å; S39-E42 PolarHBondContact O-N 3.41Å; S39-E42 VanDerWaalsContact O-N 3.08Å; S39-E42 WeakPolarHBondContact OG-CG 3.29Å; S39-E42 PolarHBondContact OG-N 3.08Å; S39-E42 VanDerWaalsContact OG-N 3.11Å; E42-A45 WeakPolarHBondContact O-CB 3.27Å; E42-A45 PolarHBondContact O-N 2.98Å; E42-R46 WeakPolarHBondContact O-CB 3.44Å; E42-R46 PolarHBondContact O-N 2.98Å
43D96.9Very high93.2Very high3 Ų347.7 Ų47.72%0.01623%0.232CC..Hα-helixtrans-65.4-46.6175.8-76.9-30.3000111.8P38 S39 L40 Q41 A45 R46 L47 T216 R217P38-D43 WeakPolarHBondContact CB-OD1 3.33Å; S39-D43 WeakPolarHBondContact O-CB 3.39Å; S39-D43 PolarHBondContact O-N 2.93Å; L40-D43 PolarHBondContact O-N 3.45Å; Q41-D43 VanDerWaalsContact C-N 3.33Å; D43-A45 VanDerWaalsContact C-N 3.31Å; D43-A45 PolarHBondContact O-N 3.47Å; D43-R46 CarbonylContact O-C 3.57Å; D43-R46 WeakPolarHBondContact O-CB 3.28Å; D43-R46 PolarHBondContact O-N 3.16Å; D43-R46 VanDerWaalsContact O-N 3.12Å; D43-R46 IonicContact OD1-CZ 3.17Å; D43-R46 IonicContact OD1-NE 2.62Å; D43-R46 IonicContact OD1-NH2 2.86Å; D43-R46 PolarHBondContact OD1-NH2 3.24Å; D43-L47 WeakPolarHBondContact O-CB 3.21Å; D43-L47 PolarHBondContact O-N 3.36Å; D43-T216 HydrophobicContact CB-CG2 3.94Å; D43-T216 VanDerWaalsContact O-CG2 3.25Å; D43-T216 WeakPolarHBondContact O-CG2 3.24Å; D43-R217 WeakPolarHBondContact OD2-CD 3.43Å; D43-R217 IonicContact OD2-CZ 2.74Å; D43-R217 IonicContact OD2-NE 2.71Å; D43-R217 IonicContact OD2-NH1 3.63Å; D43-R217 PolarHBondContact OD2-NH1 3.26Å
44L96.8Very high93.2Very high2 Ų248.8 Ų48.81%0.0124%0.237CC..Hα-helixtrans-67.4-31.7176.6-69.4177.8000112.4L40 Q41 R46 L47 Y48 I71 Y116 W146 I150 I213L40-L44 HydrophobicContact CD1-CD1 4.02Å; L40-L44 HydrophobicContact CD1-CG 4.12Å; L40-L44 HydrophobicContact CG-CD1 4.05Å; L40-L44 HydrophobicContact CG-CG 4.47Å; L40-L44 WeakPolarHBondContact O-CB 3.42Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.11Å; L40-L44 PolarHBondContact O-N 2.91Å; Q41-L44 PolarHBondContact O-N 3Å; L44-R46 VanDerWaalsContact C-N 3.35Å; L44-L47 HydrophobicContact CD2-CD2 3.54Å; L44-L47 WeakPolarHBondContact O-CB 3.44Å; L44-Y48 PolarHBondContact O-N 3.49Å; L44-I71 HydrophobicContact CD1-CD1 4.48Å; L44-I71 HydrophobicContact CD2-CD1 4.14Å; L44-Y116 HydrophobicContact CB-CD1 4.32Å; L44-Y116 WeakPolarHBondContact CB-O 3.09Å; L44-Y116 WeakPolarHBondContact O-CD1 3.42Å; L44-W146 HydrophobicContact CD1-CH2 4.16Å; L44-W146 HydrophobicContact CD1-CZ2 3.6Å; L44-I150 HydrophobicContact CD1-CD1 4.23Å; L44-I150 HydrophobicContact CD1-CG1 4.45Å; L44-I150 HydrophobicContact CD1-CG2 4.43Å; L44-I213 HydrophobicContact CD2-CG1 4.27Å
45A96.4Very high93.1Very high6 Ų649 Ų495%0.0524%0.243CC..Hα-helixtrans-62-43.7169.700000111.5Q41 E42 D43 Y48 R49 F113 T117Q41-A45 WeakPolarHBondContact O-CB 3.28Å; Q41-A45 PolarHBondContact O-N 3.22Å; E42-A45 WeakPolarHBondContact O-CB 3.27Å; E42-A45 PolarHBondContact O-N 2.98Å; D43-A45 VanDerWaalsContact C-N 3.31Å; D43-A45 PolarHBondContact O-N 3.47Å; A45-Y48 PolarHBondContact O-N 3.38Å; A45-R49 VanDerWaalsContact O-CG 3.31Å; A45-R49 WeakPolarHBondContact O-CG 3.46Å; A45-R49 PolarHBondContact O-N 2.98Å; A45-F113 HydrophobicContact CB-CE2 3.82Å; A45-F113 HydrophobicContact CB-CZ 3.92Å; A45-T117 HydrophobicContact CB-CG2 3.58Å
46R95.6Very high93.2Very high94 Ų9446.5 Ų46.536%0.35523%0.226SC..Hα-helixtrans-66.1-44177178.1172.255.41591.3111.9E42 D43 L44 Y48 R49 E50 I52 T216E42-R46 WeakPolarHBondContact O-CB 3.44Å; E42-R46 PolarHBondContact O-N 2.98Å; D43-R46 CarbonylContact O-C 3.57Å; D43-R46 WeakPolarHBondContact O-CB 3.28Å; D43-R46 PolarHBondContact O-N 3.16Å; D43-R46 VanDerWaalsContact O-N 3.12Å; D43-R46 IonicContact OD1-CZ 3.17Å; D43-R46 IonicContact OD1-NE 2.62Å; D43-R46 IonicContact OD1-NH2 2.86Å; D43-R46 PolarHBondContact OD1-NH2 3.24Å; L44-R46 VanDerWaalsContact C-N 3.35Å; R46-Y48 VanDerWaalsContact C-N 3.26Å; R46-Y48 PolarHBondContact O-N 2.93Å; R46-R49 PolarHBondContact O-N 2.96Å; R46-E50 HydrophobicContact CG-CG 4.22Å; R46-E50 WeakPolarHBondContact CG-OE1 3.41Å; R46-E50 WeakPolarHBondContact O-CB 3.26Å; R46-E50 PolarHBondContact O-N 3.01Å; R46-I52 HydrophobicContact CG-CD1 4.32Å; R46-T216 PolarHBondContact NH2-O 3.3Å; R46-T216 VanDerWaalsContact NH2-O 3.14Å
47L94.6Very high93.5Very high0 Ų040.1 Ų40.10%020%0.201CC..Hα-helixtrans-49.8-47.2174.2172.366.9000111.5D43 L44 S51 I52 H68 Y116 A212 T216D43-L47 WeakPolarHBondContact O-CB 3.21Å; D43-L47 PolarHBondContact O-N 3.36Å; L44-L47 HydrophobicContact CD2-CD2 3.54Å; L44-L47 WeakPolarHBondContact O-CB 3.44Å; L47-S51 WeakPolarHBondContact O-CA 3.28Å; L47-S51 PolarHBondContact O-N 3.42Å; L47-S51 VanDerWaalsContact O-N 3.16Å; L47-I52 HydrophobicContact CD1-CB 4.01Å; L47-I52 WeakPolarHBondContact CD1-O 3.46Å; L47-I52 PolarHBondContact O-N 3.48Å; L47-H68 WeakPolarHBondContact CD1-CE1 3.48Å; L47-H68 WeakPolarHBondContact CD1-NE2 3.38Å; L47-H68 VanDerWaalsContact CG-CE1 3.43Å; L47-H68 WeakPolarHBondContact CG-CE1 3.35Å; L47-Y116 HydrophobicContact CD2-CD1 4.16Å; L47-Y116 HydrophobicContact CD2-CE1 3.77Å; L47-Y116 HydrophobicContact CG-CE1 4.12Å; L47-A212 HydrophobicContact CD1-CB 4.02Å; L47-A212 HydrophobicContact CD2-CB 3.93Å; L47-T216 HydrophobicContact CB-CG2 4.13Å; L47-T216 VanDerWaalsContact CD1-OG1 3.3Å; L47-T216 WeakPolarHBondContact CD1-OG1 2.97Å
48Y96Very high93.5Very high18 Ų1839.7 Ų39.77%0.07120%0.197CC..Hα-helixtrans-69.2-52.5177.6178.4-109.4000112.4L44 A45 R46 E50 S51 V67 D109 I112 F113 Y116L44-Y48 PolarHBondContact O-N 3.49Å; A45-Y48 PolarHBondContact O-N 3.38Å; R46-Y48 VanDerWaalsContact C-N 3.26Å; R46-Y48 PolarHBondContact O-N 2.93Å; Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 3.3Å; Y48-S51 PolarHBondContact O-N 2.8Å; Y48-V67 HydrophobicContact CE2-CG1 4.25Å; Y48-D109 WeakPolarHBondContact CE1-OD1 3.47Å; Y48-D109 PolarHBondContact OH-OD1 3.09Å; Y48-I112 HydrophobicContact CD2-CG2 3.91Å; Y48-I112 HydrophobicContact CE2-CB 4.17Å; Y48-I112 HydrophobicContact CE2-CG2 3.31Å; Y48-F113 HydrophobicContact CD1-CB 4.36Å; Y48-F113 AromaticContact CD1-CD2 3.8Å; Y48-F113 HydrophobicContact CD1-CD2 3.8Å; Y48-F113 HydrophobicContact CE1-CB 4.17Å; Y48-F113 HydrophobicContact CE1-CD2 4.29Å; Y48-Y116 HydrophobicContact CD2-CD2 4.14Å; Y48-Y116 AromaticContact CD2-CE2 3.81Å; Y48-Y116 HydrophobicContact CD2-CE2 3.81Å; Y48-Y116 HydrophobicContact CG-CD2 4.27Å; Y48-Y116 HydrophobicContact CG-CE2 4.35Å
49R95Very high93.5Very high158 Ų15840.5 Ų40.560%0.59620%0.199SC*.Hα-helixtrans-60.9-38.5-176.1-71.4174.2-170.91542.7113.1A45 R46A45-R49 VanDerWaalsContact O-CG 3.31Å; A45-R49 WeakPolarHBondContact O-CG 3.46Å; A45-R49 PolarHBondContact O-N 2.98Å; R46-R49 PolarHBondContact O-N 2.96Å
50E93.5Very high93.4Very high117 Ų11739.9 Ų39.955%0.54719%0.193SC..THydrogen-bonded Turntrans-93.9-2.4-177.7-65.3-177.8-161.900113.2R46 Y48 I52R46-E50 HydrophobicContact CG-CG 4.22Å; R46-E50 WeakPolarHBondContact CG-OE1 3.41Å; R46-E50 WeakPolarHBondContact O-CB 3.26Å; R46-E50 PolarHBondContact O-N 3.01Å; Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 3.3Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 HydrophobicContact CB-CD1 3.96Å; E50-I52 HydrophobicContact CB-CG1 3.78Å; E50-I52 PolarHBondContact O-N 2.92Å
51S92.1Very high93Very high46 Ų4645.2 Ų45.232%0.32222%0.217SC..THydrogen-bonded Turntrans52.144.3-178-60.90000113.2L47 Y48 V53L47-S51 WeakPolarHBondContact O-CA 3.28Å; L47-S51 PolarHBondContact O-N 3.42Å; L47-S51 VanDerWaalsContact O-N 3.16Å; Y48-S51 PolarHBondContact O-N 2.8Å; S51-V53 PolarHBondContact O-N 3.35Å
52I87.3Confident92.7Very high7 Ų751.5 Ų51.54%0.03625%0.247CC..THydrogen-bonded Turntrans-75116.4-175.6-63.1161.3000110.4R46 L47 E50 T54 H68R46-I52 HydrophobicContact CG-CD1 4.32Å; L47-I52 HydrophobicContact CD1-CB 4.01Å; L47-I52 WeakPolarHBondContact CD1-O 3.46Å; L47-I52 PolarHBondContact O-N 3.48Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 HydrophobicContact CB-CD1 3.96Å; E50-I52 HydrophobicContact CB-CG1 3.78Å; E50-I52 PolarHBondContact O-N 2.92Å; I52-T54 VanDerWaalsContact C-N 3.32Å; I52-T54 PolarHBondContact O-N 3.26Å; I52-H68 PolarHBondContact O-NE2 3.24Å
53V85.9Confident92.5Very high26 Ų2651.6 Ų51.616%0.15825%0.247CC..THydrogen-bonded Turntrans5840.9173.9-164.90000112.8S51 H68 A215 I225S51-V53 PolarHBondContact O-N 3.35Å; V53-H68 PolarHBondContact O-NE2 2.98Å; V53-A215 HydrophobicContact CG2-CB 4.1Å; V53-I225 HydrophobicContact CG1-CG2 4.4Å
54T89.3Confident92.4Very high39 Ų3956.1 Ų56.124%0.23927%0.271CS..  trans-63146.3175.754.90000111.7I52 N66 H68I52-T54 VanDerWaalsContact C-N 3.32Å; I52-T54 PolarHBondContact O-N 3.26Å; T54-N66 HydrophobicContact CG2-CB 3.72Å; T54-H68 WeakPolarHBondContact CA-NE2 3.07Å; T54-H68 VanDerWaalsContact CG2-CE1 3.46Å; T54-H68 WeakPolarHBondContact CG2-CE1 3.42Å; T54-H68 WeakPolarHBondContact CG2-NE2 2.9Å; T54-H68 PolarHBondContact N-NE2 2.91Å
55D87.7Confident92.3Very high61 Ų6156.3 Ų56.333%0.32627%0.272SS..  trans-121.4-7.6-178.468.1-6.4000112.6V67 H68 R69D55-V67 PolarHBondContact N-O 3.37Å; D55-H68 WeakPolarHBondContact OD1-CA 3.17Å; D55-R69 PolarHBondContact OD1-N 3.34Å
56T89.9Confident92.2Very high16 Ų1659.1 Ų59.110%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-146.5145.8179-73.30000110.9L58 V67 R69 L83 I94T56-L58 HydrophobicContact CG2-CD2 4.09Å; T56-V67 HydrophobicContact CG2-CG2 4.02Å; T56-V67 PolarHBondContact N-O 3.09Å; T56-V67 WeakPolarHBondContact O-CG2 2.86Å; T56-V67 PolarHBondContact O-N 2.83Å; T56-V67 VanDerWaalsContact O-O 3.05Å; T56-R69 HydrophobicContact CG2-CG 4.45Å; T56-R69 VanDerWaalsContact OG1-CD 3.24Å; T56-R69 WeakPolarHBondContact OG1-CD 3.47Å; T56-R69 WeakPolarHBondContact OG1-CG 3.37Å; T56-L83 HydrophobicContact CG2-CD2 4.49Å; T56-I94 HydrophobicContact CG2-CD1 3.9Å
57C93.2Very high92.2Very high27 Ų2754.6 Ų54.618%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-124.1124.1176.3-1680000109.2F65 N66 P93 I94C57-F65 CarbonylContact C-O 3.55Å; C57-F65 WeakPolarHBondContact CA-O 3.31Å; C57-N66 PolarHBondContact SG-OD1 2.85Å; C57-P93 HydrophobicContact CB-CB 4.49Å; C57-P93 WeakPolarHBondContact O-CA 3.39Å; C57-I94 PolarHBondContact O-N 3.22Å
58L94.2Very high92.1Very high2 Ų254.7 Ų54.71%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-98.8134.5176.1-54.3176.5000109.8T56 L64 F65 V67 L72 L83 I94 L96T56-L58 HydrophobicContact CG2-CD2 4.09Å; L58-L64 CarbonylContact O-C 3.45Å; L58-L64 WeakPolarHBondContact O-CA 3.4Å; L58-F65 HydrophobicContact CB-CB 4.28Å; L58-F65 PolarHBondContact N-O 2.97Å; L58-F65 PolarHBondContact O-N 3.41Å; L58-V67 HydrophobicContact CD1-CG2 3.99Å; L58-V67 HydrophobicContact CG-CG2 3.8Å; L58-L72 HydrophobicContact CD1-CD1 4.05Å; L58-L83 HydrophobicContact CD2-CD2 4.3Å; L58-I94 CarbonylContact C-O 3.59Å; L58-I94 WeakPolarHBondContact CA-O 3.36Å; L58-I94 HydrophobicContact CD2-CB 4.2Å; L58-L96 HydrophobicContact CB-CB 4.47Å; L58-L96 HydrophobicContact CD1-CD2 4.3Å
59L94Very high91.9Very high56 Ų5655 Ų5529%0.29327%0.27SS..EExtended strand (participates in β ladder)trans-104.3117.9173.8176.568.2000109.2Q63 L64 P93 I94 L96L59-Q63 WeakPolarHBondContact CA-O 3.37Å; L59-L64 HydrophobicContact CB-CD2 4.16Å; L59-L64 HydrophobicContact CD1-CD2 3.72Å; L59-P93 HydrophobicContact CB-CB 4.12Å; L59-I94 PolarHBondContact N-O 3.16Å; L59-L96 PolarHBondContact O-N 2.58Å
60Y94Very high91.8Very high17 Ų1747.7 Ų47.77%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-135.2124175.9-178.1-96.9000109.5Q62 Q63 L96 L98 I103 P105 L108Y60-Q62 VanDerWaalsContact C-N 3.27Å; Y60-Q62 PolarHBondContact O-N 2.68Å; Y60-Q62 VanDerWaalsContact O-N 3.16Å; Y60-Q63 PolarHBondContact N-O 2.97Å; Y60-Q63 WeakPolarHBondContact O-CA 3.42Å; Y60-Q63 WeakPolarHBondContact O-CB 3.45Å; Y60-Q63 PolarHBondContact O-N 3.11Å; Y60-L96 HydrophobicContact CD2-CB 4.5Å; Y60-L96 HydrophobicContact CD2-CD2 4.4Å; Y60-L96 WeakPolarHBondContact CD2-O 3.38Å; Y60-L98 HydrophobicContact CE2-CD1 4.37Å; Y60-I103 HydrophobicContact CE1-CG1 4.47Å; Y60-I103 WeakPolarHBondContact CE1-O 3.32Å; Y60-I103 WeakPolarHBondContact OH-CG1 3.35Å; Y60-I103 PolarHBondContact OH-N 3.11Å; Y60-I103 PolarHBondContact OH-O 3.01Å; Y60-P105 HydrophobicContact CD1-CG 4.5Å; Y60-P105 HydrophobicContact CE1-CG 4.38Å; Y60-L108 VanDerWaalsContact CB-CD2 3.5Å; Y60-L108 HydrophobicContact CD1-CD2 3.48Å; Y60-L108 VanDerWaalsContact CD1-CD2 3.48Å; Y60-L108 HydrophobicContact CD2-CD2 3.98Å; Y60-L108 HydrophobicContact CE1-CD2 4.18Å; Y60-L108 HydrophobicContact CG-CD2 3.36Å
61E89.2Confident91.9Very high113 Ų11342.1 Ų42.153%0.52822%0.217SC..THydrogen-bonded Turntrans4744.8179.7-63.7-170.616200114.3Q63 P105E61-Q63 PolarHBondContact O-N 3.37Å; E61-P105 HydrophobicContact CB-CG 4.43Å; E61-P105 WeakPolarHBondContact OE2-CD 3.45Å; E61-P105 VanDerWaalsContact OE2-CG 3.3Å; E61-P105 WeakPolarHBondContact OE2-CG 3.39Å
62Q87.6Confident92Very high192 Ų19240 Ų4090%0.89720%0.202SC*.THydrogen-bonded Turntrans68.13.3-176.5-49.2178.75.300115.7Y60Y60-Q62 VanDerWaalsContact C-N 3.27Å; Y60-Q62 PolarHBondContact O-N 2.68Å; Y60-Q62 VanDerWaalsContact O-N 3.16Å
63Q92.9Very high92.2Very high83 Ų8339.8 Ų39.839%0.38820%0.201SC..EExtended strand (participates in β ladder)trans-97.8141.4172.9-173.1171.3-11.900110.9L59 Y60 E61 F65 P105L59-Q63 WeakPolarHBondContact CA-O 3.37Å; Y60-Q63 PolarHBondContact N-O 2.97Å; Y60-Q63 WeakPolarHBondContact O-CA 3.42Å; Y60-Q63 WeakPolarHBondContact O-CB 3.45Å; Y60-Q63 PolarHBondContact O-N 3.11Å; E61-Q63 PolarHBondContact O-N 3.37Å; Q63-F65 HydrophobicContact CB-CE2 3.93Å; Q63-F65 HydrophobicContact CB-CZ 4.39Å; Q63-F65 HydrophobicContact CG-CD2 4.43Å; Q63-F65 HydrophobicContact CG-CE2 3.76Å; Q63-F65 HydrophobicContact CG-CZ 3.9Å; Q63-P105 VanDerWaalsContact OE1-CB 3.26Å
64L94.4Very high92.6Very high98 Ų9839.6 Ų39.651%0.51320%0.201SC..EExtended strand (participates in β ladder)trans-102.2133.2178.3-64.9175.3000110.6L58 L59 P93L58-L64 CarbonylContact O-C 3.45Å; L58-L64 WeakPolarHBondContact O-CA 3.4Å; L59-L64 HydrophobicContact CB-CD2 4.16Å; L59-L64 HydrophobicContact CD1-CD2 3.72Å; L64-P93 HydrophobicContact CD2-CB 3.86Å; L64-P93 HydrophobicContact CD2-CG 4.44Å
65F94.9Very high92.8Very high6 Ų637.9 Ų37.93%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-119.8110.2176.9-63.1-94.6000109.3C57 L58 Q63 V67 L108 D109 I112C57-F65 CarbonylContact C-O 3.55Å; C57-F65 WeakPolarHBondContact CA-O 3.31Å; L58-F65 HydrophobicContact CB-CB 4.28Å; L58-F65 PolarHBondContact N-O 2.97Å; L58-F65 PolarHBondContact O-N 3.41Å; Q63-F65 HydrophobicContact CB-CE2 3.93Å; Q63-F65 HydrophobicContact CB-CZ 4.39Å; Q63-F65 HydrophobicContact CG-CD2 4.43Å; Q63-F65 HydrophobicContact CG-CE2 3.76Å; Q63-F65 HydrophobicContact CG-CZ 3.9Å; F65-V67 HydrophobicContact CB-CG1 4.3Å; F65-L108 HydrophobicContact CD2-CD2 4.21Å; F65-L108 HydrophobicContact CE1-CG 4.45Å; F65-L108 HydrophobicContact CE2-CD2 3.73Å; F65-L108 HydrophobicContact CE2-CG 4.44Å; F65-L108 HydrophobicContact CZ-CB 4.48Å; F65-L108 HydrophobicContact CZ-CD2 3.93Å; F65-L108 HydrophobicContact CZ-CG 4.19Å; F65-D109 HydrophobicContact CE1-CB 4.01Å; F65-I112 HydrophobicContact CB-CD1 4.08Å; F65-I112 HydrophobicContact CD1-CD1 3.79Å; F65-I112 HydrophobicContact CE1-CD1 4.45Å; F65-I112 HydrophobicContact CG-CD1 3.99Å
66N94.8Very high93.1Very high65 Ų6535 Ų3535%0.34818%0.175SC..EExtended strand (participates in β ladder)trans-82.6119.6176-59.4-39.7000109.4T54 C57T54-N66 HydrophobicContact CG2-CB 3.72Å; C57-N66 PolarHBondContact SG-OD1 2.85Å
67V95Very high93.3Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-138.7174.7-168.8-64.70000111.1Y48 D55 T56 L58 F65 L72 I112 Y116Y48-V67 HydrophobicContact CE2-CG1 4.25Å; D55-V67 PolarHBondContact N-O 3.37Å; T56-V67 HydrophobicContact CG2-CG2 4.02Å; T56-V67 PolarHBondContact N-O 3.09Å; T56-V67 WeakPolarHBondContact O-CG2 2.86Å; T56-V67 PolarHBondContact O-N 2.83Å; T56-V67 VanDerWaalsContact O-O 3.05Å; L58-V67 HydrophobicContact CD1-CG2 3.99Å; L58-V67 HydrophobicContact CG-CG2 3.8Å; F65-V67 HydrophobicContact CB-CG1 4.3Å; V67-L72 HydrophobicContact CB-CD1 3.97Å; V67-L72 HydrophobicContact CG2-CD1 3.65Å; V67-I112 HydrophobicContact CG1-CD1 4.4Å; V67-I112 HydrophobicContact CG1-CG2 3.92Å; V67-Y116 WeakPolarHBondContact CA-OH 3.34Å
68H93.8Very high93.3Very high1 Ų138.8 Ų38.81%0.00520%0.195CC..  trans-118.8120-177.8-56.588.4000109.2L47 I52 V53 T54 D55 C70 I71 L72 Y116 A212L47-H68 WeakPolarHBondContact CD1-CE1 3.48Å; L47-H68 WeakPolarHBondContact CD1-NE2 3.38Å; L47-H68 VanDerWaalsContact CG-CE1 3.43Å; L47-H68 WeakPolarHBondContact CG-CE1 3.35Å; I52-H68 PolarHBondContact O-NE2 3.24Å; V53-H68 PolarHBondContact O-NE2 2.98Å; T54-H68 WeakPolarHBondContact CA-NE2 3.07Å; T54-H68 VanDerWaalsContact CG2-CE1 3.46Å; T54-H68 WeakPolarHBondContact CG2-CE1 3.42Å; T54-H68 WeakPolarHBondContact CG2-NE2 2.9Å; T54-H68 PolarHBondContact N-NE2 2.91Å; D55-H68 WeakPolarHBondContact OD1-CA 3.17Å; H68-C70 VanDerWaalsContact C-N 3.27Å; H68-C70 PolarHBondContact O-N 2.79Å; H68-I71 HydrophobicContact CB-CG1 4.17Å; H68-I71 PolarHBondContact O-N 2.62Å; H68-L72 PolarHBondContact O-N 3.01Å; H68-Y116 WeakPolarHBondContact CB-OH 2.72Å; H68-Y116 PolarHBondContact N-OH 3.34Å; H68-Y116 AromaticContact ND1-CE1 3.47Å; H68-Y116 WeakPolarHBondContact ND1-CE1 3.39Å; H68-Y116 AromaticContact ND1-CZ 3.53Å; H68-Y116 PolarHBondContact ND1-OH 3.47Å; H68-A212 HydrophobicContact CB-CB 4.41Å; H68-A212 VanDerWaalsContact CD2-CB 3.45Å; H68-A212 WeakPolarHBondContact CD2-CB 3.42Å
69R91.8Very high93.3Very high26 Ų2639.1 Ų39.110%0.09820%0.197CC..Hα-helixtrans-55.9-43.5-177.9-66.6177.168.592.1-2.5111.9D55 T56 I71 L72 N73 L83D55-R69 PolarHBondContact OD1-N 3.34Å; T56-R69 HydrophobicContact CG2-CG 4.45Å; T56-R69 VanDerWaalsContact OG1-CD 3.24Å; T56-R69 WeakPolarHBondContact OG1-CD 3.47Å; T56-R69 WeakPolarHBondContact OG1-CG 3.37Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 3.41Å; R69-L72 PolarHBondContact O-N 3.46Å; R69-N73 WeakPolarHBondContact O-CB 3.1Å; R69-N73 PolarHBondContact O-N 2.89Å; R69-L83 PolarHBondContact NH2-O 3.13Å
70C92.3Very high93.2Very high4 Ų439.2 Ų39.23%0.02720%0.196CC..Hα-helixtrans-57.3-43.3-177.661.10000112.9H68 S74 L153 D161 H210H68-C70 VanDerWaalsContact C-N 3.27Å; H68-C70 PolarHBondContact O-N 2.79Å; C70-S74 VanDerWaalsContact O-CB 3.3Å; C70-S74 WeakPolarHBondContact O-CB 3.25Å; C70-S74 PolarHBondContact O-N 2.89Å; C70-L153 HydrophobicContact CB-CD2 4.38Å; C70-D161 HydrophobicContact CB-CB 4.21Å; C70-H210 WeakPolarHBondContact CB-CD2 3.14Å
71I94.8Very high93.1Very high0 Ų041.9 Ų41.90%022%0.217CC..Hα-helixtrans-69-45.2179-57.7-59.5000110.7L44 H68 R69 S74 R75 Y116 I150 L153 I213L44-I71 HydrophobicContact CD1-CD1 4.48Å; L44-I71 HydrophobicContact CD2-CD1 4.14Å; H68-I71 HydrophobicContact CB-CG1 4.17Å; H68-I71 PolarHBondContact O-N 2.62Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 3.41Å; I71-S74 PolarHBondContact O-N 2.85Å; I71-R75 HydrophobicContact CG2-CG 4.34Å; I71-R75 VanDerWaalsContact O-CB 3.26Å; I71-R75 WeakPolarHBondContact O-CB 3.15Å; I71-R75 VanDerWaalsContact O-CG 3.28Å; I71-R75 WeakPolarHBondContact O-CG 3.28Å; I71-R75 PolarHBondContact O-N 3.19Å; I71-Y116 HydrophobicContact CB-CE1 4.14Å; I71-Y116 HydrophobicContact CG1-CD1 4.22Å; I71-Y116 HydrophobicContact CG1-CE1 3.83Å; I71-Y116 HydrophobicContact CG2-CD1 4.02Å; I71-Y116 HydrophobicContact CG2-CD2 4.02Å; I71-Y116 HydrophobicContact CG2-CE1 4.09Å; I71-Y116 HydrophobicContact CG2-CE2 4.09Å; I71-Y116 HydrophobicContact CG2-CG 3.99Å; I71-I150 HydrophobicContact CD1-CD1 4.01Å; I71-L153 HydrophobicContact CD1-CD1 4.14Å; I71-I213 HydrophobicContact CD1-CD1 4.37Å
72L94.5Very high93.2Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-64.8-42.4180-60.9-172.7000112.2L58 V67 H68 R69 R75 C76 L79 L83 L115L58-L72 HydrophobicContact CD1-CD1 4.05Å; V67-L72 HydrophobicContact CB-CD1 3.97Å; V67-L72 HydrophobicContact CG2-CD1 3.65Å; H68-L72 PolarHBondContact O-N 3.01Å; R69-L72 PolarHBondContact O-N 3.46Å; L72-R75 PolarHBondContact O-N 2.79Å; L72-C76 WeakPolarHBondContact O-CB 3.06Å; L72-C76 PolarHBondContact O-N 3.49Å; L72-L79 HydrophobicContact CB-CB 4.39Å; L72-L79 HydrophobicContact CB-CD1 4.14Å; L72-L79 HydrophobicContact CD1-CD1 4.34Å; L72-L79 HydrophobicContact CD2-CD1 4.06Å; L72-L79 HydrophobicContact CG-CD1 4.4Å; L72-L83 HydrophobicContact CB-CD1 4.12Å; L72-L83 HydrophobicContact CD1-CD1 4.14Å; L72-L115 HydrophobicContact CD2-CD1 3.54Å
73N92.7Very high93.3Very high3 Ų329.2 Ų29.22%0.01616%0.158CC..Hα-helixtrans-69.2-33.7-179.2-72.9-8.9000112.7R69 Q80 L83 D161R69-N73 WeakPolarHBondContact O-CB 3.1Å; R69-N73 PolarHBondContact O-N 2.89Å; N73-Q80 HydrophobicContact CB-CB 4.3Å; N73-Q80 HydrophobicContact CB-CG 4.03Å; N73-Q80 PolarHBondContact O-NE2 2.83Å; N73-Q80 WeakPolarHBondContact OD1-CA 3.3Å; N73-L83 WeakPolarHBondContact OD1-CD1 3.39Å; N73-D161 PolarHBondContact ND2-OD1 2.95Å
74S92.9Very high93.1Very high23 Ų2331.2 Ų31.216%0.16116%0.162CC..Hα-helixtrans-73.4-43.9174.5157.80000111.3C70 I71 D149C70-S74 VanDerWaalsContact O-CB 3.3Å; C70-S74 WeakPolarHBondContact O-CB 3.25Å; C70-S74 PolarHBondContact O-N 2.89Å; I71-S74 PolarHBondContact O-N 2.85Å; S74-D149 PolarHBondContact OG-O 2.83Å
75R94.3Very high92.8Very high3 Ų332.2 Ų32.21%0.01117%0.172CC..Hα-helixtrans-89.1-20.3-168.8-65.9-69.4-59.61391.6115I71 L72 L115 V142 S143 D149 I150I71-R75 HydrophobicContact CG2-CG 4.34Å; I71-R75 VanDerWaalsContact O-CB 3.26Å; I71-R75 WeakPolarHBondContact O-CB 3.15Å; I71-R75 VanDerWaalsContact O-CG 3.28Å; I71-R75 WeakPolarHBondContact O-CG 3.28Å; I71-R75 PolarHBondContact O-N 3.19Å; L72-R75 PolarHBondContact O-N 2.79Å; R75-L115 HydrophobicContact CB-CB 4.14Å; R75-L115 HydrophobicContact CB-CD2 3.96Å; R75-L115 WeakPolarHBondContact CG-O 3.13Å; R75-L115 PolarHBondContact NE-O 3.46Å; R75-V142 WeakPolarHBondContact O-CA 3.46Å; R75-V142 WeakPolarHBondContact O-CG1 3.49Å; R75-S143 PolarHBondContact NH1-O 2.74Å; R75-S143 PolarHBondContact NH2-O 2.86Å; R75-D149 IonicContact CZ-OD2 3.57Å; R75-D149 VanDerWaalsContact NH1-CG 3.34Å; R75-D149 IonicContact NH1-OD2 3.5Å; R75-D149 PolarHBondContact NH1-OD2 3.26Å; R75-I150 HydrophobicContact CG-CD1 4.3Å
76C94.2Very high92.2Very high0 Ų034 Ų340%018%0.183CC..BIsolated β-bridgetrans-137.4107.4-173.21790000111.3L72 W78 L79 Q80 L115 V142L72-C76 WeakPolarHBondContact O-CB 3.06Å; L72-C76 PolarHBondContact O-N 3.49Å; C76-W78 VanDerWaalsContact C-N 3.27Å; C76-W78 PolarHBondContact O-N 3.33Å; C76-L79 HydrophobicContact CB-CB 3.91Å; C76-L79 HydrophobicContact CB-CD1 3.83Å; C76-L79 HydrophobicContact CB-CG 4.11Å; C76-L79 PolarHBondContact O-N 3.14Å; C76-L79 VanDerWaalsContact O-N 3.16Å; C76-L79 PolarHBondContact SG-N 3.04Å; C76-Q80 PolarHBondContact O-N 3.5Å; C76-L115 HydrophobicContact CB-CD1 4.29Å; C76-L115 HydrophobicContact CB-CD2 4.23Å; C76-V142 HydrophobicContact CB-CG2 4.07Å
77A93.3Very high91Very high56 Ų5632.3 Ų32.346%0.46318%0.181SC..Hα-helixtrans-58.6-38.2-177.800000112.6Q80 S81A77-Q80 WeakPolarHBondContact O-CB 3.4Å; A77-Q80 PolarHBondContact O-N 2.92Å; A77-S81 PolarHBondContact O-N 3.38Å; A77-S81 VanDerWaalsContact O-N 3.15Å
78W94.6Very high89.6Confident67 Ų6736.6 Ų36.625%0.25420%0.201SC..Hα-helixtrans-66.7-46.7176.5-179.587.2000112.3C76 Q80 S81 F82 L96 N97 L98 P99 L140C76-W78 VanDerWaalsContact C-N 3.27Å; C76-W78 PolarHBondContact O-N 3.33Å; W78-Q80 VanDerWaalsContact C-N 3.27Å; W78-Q80 PolarHBondContact O-N 3.24Å; W78-S81 PolarHBondContact O-N 3.28Å; W78-F82 HydrophobicContact CE3-CB 4.44Å; W78-F82 HydrophobicContact CH2-CB 4.21Å; W78-F82 HydrophobicContact CH2-CD1 4.34Å; W78-F82 HydrophobicContact CH2-CD2 4.14Å; W78-F82 AromaticContact CH2-CG 3.96Å; W78-F82 HydrophobicContact CH2-CG 3.96Å; W78-F82 HydrophobicContact CZ2-CB 4.29Å; W78-F82 HydrophobicContact CZ2-CD2 4.25Å; W78-F82 HydrophobicContact CZ2-CG 4.31Å; W78-F82 HydrophobicContact CZ3-CB 4.29Å; W78-F82 HydrophobicContact CZ3-CD1 4.43Å; W78-F82 HydrophobicContact CZ3-CG 4.3Å; W78-F82 WeakPolarHBondContact O-CB 3.49Å; W78-F82 PolarHBondContact O-N 3.19Å; W78-L96 HydrophobicContact CH2-CD1 4.14Å; W78-L96 HydrophobicContact CZ3-CD1 3.99Å; W78-N97 WeakPolarHBondContact CH2-O 3.31Å; W78-N97 WeakPolarHBondContact CZ2-O 3.48Å; W78-L98 HydrophobicContact CH2-CD2 4.21Å; W78-L98 HydrophobicContact CZ3-CD2 3.84Å; W78-P99 HydrophobicContact CZ2-CG 4.46Å; W78-L140 HydrophobicContact CB-CB 4.21Å; W78-L140 HydrophobicContact CB-CD2 3.93Å; W78-L140 WeakPolarHBondContact CB-O 3.44Å; W78-L140 HydrophobicContact CD2-CD2 3.82Å; W78-L140 HydrophobicContact CE3-CD2 3.96Å; W78-L140 HydrophobicContact CG-CD2 3.78Å; W78-L140 PolarHBondContact N-O 3.04Å; W78-L140 VanDerWaalsContact N-O 3.17Å
79L93.5Very high88Confident8 Ų843.8 Ų43.84%0.04224%0.24CC..Hα-helixtrans-62-37.9177.4-77.6171.3000111.2L72 C76 S81 F82 L83 L96 L115L72-L79 HydrophobicContact CB-CB 4.39Å; L72-L79 HydrophobicContact CB-CD1 4.14Å; L72-L79 HydrophobicContact CD1-CD1 4.34Å; L72-L79 HydrophobicContact CD2-CD1 4.06Å; L72-L79 HydrophobicContact CG-CD1 4.4Å; C76-L79 HydrophobicContact CB-CB 3.91Å; C76-L79 HydrophobicContact CB-CD1 3.83Å; C76-L79 HydrophobicContact CB-CG 4.11Å; C76-L79 PolarHBondContact O-N 3.14Å; C76-L79 VanDerWaalsContact O-N 3.16Å; C76-L79 PolarHBondContact SG-N 3.04Å; L79-S81 PolarHBondContact O-N 2.94Å; L79-F82 HydrophobicContact CD2-CD1 4.46Å; L79-F82 PolarHBondContact O-N 3.26Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.31Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.49Å; L79-L83 PolarHBondContact O-N 3.14Å; L79-L96 HydrophobicContact CD2-CD1 4.04Å; L79-L115 HydrophobicContact CD1-CD1 3.81Å
80Q91.7Very high86.6Confident58 Ų5847.2 Ų47.227%0.27126%0.26SS..Hα-helixtrans-56-50.3173.2-169.3-173.26800111.9N73 C76 A77 W78 R84N73-Q80 HydrophobicContact CB-CB 4.3Å; N73-Q80 HydrophobicContact CB-CG 4.03Å; N73-Q80 PolarHBondContact O-NE2 2.83Å; N73-Q80 WeakPolarHBondContact OD1-CA 3.3Å; C76-Q80 PolarHBondContact O-N 3.5Å; A77-Q80 WeakPolarHBondContact O-CB 3.4Å; A77-Q80 PolarHBondContact O-N 2.92Å; W78-Q80 VanDerWaalsContact C-N 3.27Å; W78-Q80 PolarHBondContact O-N 3.24Å; Q80-R84 WeakPolarHBondContact O-CB 3.4Å; Q80-R84 WeakPolarHBondContact O-CG 3.32Å; Q80-R84 PolarHBondContact O-N 3.4Å
81S91.8Very high85.5Confident74 Ų7455.4 Ų55.452%0.51730%0.304SS..Hα-helixtrans-65.8-39.9177.8-172.30000112.4A77 W78 L79 T85A77-S81 PolarHBondContact O-N 3.38Å; A77-S81 VanDerWaalsContact O-N 3.15Å; W78-S81 PolarHBondContact O-N 3.28Å; L79-S81 PolarHBondContact O-N 2.94Å; S81-T85 PolarHBondContact O-N 3.36Å; S81-T85 PolarHBondContact O-OG1 2.94Å
82F91.8Very high84.9Confident39 Ų3957.3 Ų57.317%0.17132%0.323CS..Hα-helixtrans-65.1-51.8-179.9172.6-105.6000111.7W78 L79 R84 T85 V86 I94 E95 L96W78-F82 HydrophobicContact CE3-CB 4.44Å; W78-F82 HydrophobicContact CH2-CB 4.21Å; W78-F82 HydrophobicContact CH2-CD1 4.34Å; W78-F82 HydrophobicContact CH2-CD2 4.14Å; W78-F82 AromaticContact CH2-CG 3.96Å; W78-F82 HydrophobicContact CH2-CG 3.96Å; W78-F82 HydrophobicContact CZ2-CB 4.29Å; W78-F82 HydrophobicContact CZ2-CD2 4.25Å; W78-F82 HydrophobicContact CZ2-CG 4.31Å; W78-F82 HydrophobicContact CZ3-CB 4.29Å; W78-F82 HydrophobicContact CZ3-CD1 4.43Å; W78-F82 HydrophobicContact CZ3-CG 4.3Å; W78-F82 WeakPolarHBondContact O-CB 3.49Å; W78-F82 PolarHBondContact O-N 3.19Å; L79-F82 HydrophobicContact CD2-CD1 4.46Å; L79-F82 PolarHBondContact O-N 3.26Å; F82-R84 VanDerWaalsContact C-N 3.27Å; F82-R84 PolarHBondContact O-N 2.8Å; F82-T85 WeakPolarHBondContact O-CB 2.92Å; F82-T85 PolarHBondContact O-N 2.89Å; F82-V86 HydrophobicContact CD2-CG2 4.45Å; F82-V86 HydrophobicContact CE1-CG2 4.23Å; F82-V86 HydrophobicContact CE2-CG2 4Å; F82-V86 HydrophobicContact CZ-CG2 3.87Å; F82-V86 PolarHBondContact O-N 3.14Å; F82-V86 VanDerWaalsContact O-N 3.14Å; F82-I94 HydrophobicContact CE1-CG2 3.76Å; F82-I94 HydrophobicContact CZ-CG2 3.83Å; F82-E95 WeakPolarHBondContact CZ-O 3.48Å; F82-L96 HydrophobicContact CE1-CD1 4.11Å
83L90.2Very high84.7Confident0 Ų060.8 Ų60.80%035%0.346CS..Hα-helixtrans-67.3-26.2-178.1-69.2174.9000113.3T56 L58 R69 L72 N73 L79 I94T56-L83 HydrophobicContact CG2-CD2 4.49Å; L58-L83 HydrophobicContact CD2-CD2 4.3Å; R69-L83 PolarHBondContact NH2-O 3.13Å; L72-L83 HydrophobicContact CB-CD1 4.12Å; L72-L83 HydrophobicContact CD1-CD1 4.14Å; N73-L83 WeakPolarHBondContact OD1-CD1 3.39Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.31Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.49Å; L79-L83 PolarHBondContact O-N 3.14Å; L83-I94 HydrophobicContact CD2-CD1 3.93Å
84R87.4Confident84.6Confident125 Ų12561.2 Ų61.247%0.47235%0.348SS..Hα-helixtrans-69.5-33.9169.5-75176.5-178.2-151.22.6112.4Q80 F82Q80-R84 WeakPolarHBondContact O-CB 3.4Å; Q80-R84 WeakPolarHBondContact O-CG 3.32Å; Q80-R84 PolarHBondContact O-N 3.4Å; F82-R84 VanDerWaalsContact C-N 3.27Å; F82-R84 PolarHBondContact O-N 2.8Å
85T87.8Confident84.5Confident118 Ų11866.4 Ų66.472%0.72437%0.369SS*.Hα-helixtrans-74.1-37.2-179.8-54.30000112.1S81 F82 G87S81-T85 PolarHBondContact O-N 3.36Å; S81-T85 PolarHBondContact O-OG1 2.94Å; F82-T85 WeakPolarHBondContact O-CB 2.92Å; F82-T85 PolarHBondContact O-N 2.89Å; T85-G87 VanDerWaalsContact C-N 3.26Å; T85-G87 PolarHBondContact O-N 3.15Å
86V83.2Confident84.4Confident44 Ų4466.5 Ų66.527%0.26737%0.37SS..Hα-helixtrans-70.4-23.1179.8177.70000112.4F82 I94F82-V86 HydrophobicContact CD2-CG2 4.45Å; F82-V86 HydrophobicContact CE1-CG2 4.23Å; F82-V86 HydrophobicContact CE2-CG2 4Å; F82-V86 HydrophobicContact CZ-CG2 3.87Å; F82-V86 PolarHBondContact O-N 3.14Å; F82-V86 VanDerWaalsContact O-N 3.14Å; V86-I94 HydrophobicContact CB-CG2 4.44Å; V86-I94 HydrophobicContact CG1-CD1 3.89Å; V86-I94 HydrophobicContact CG1-CG1 3.94Å; V86-I94 HydrophobicContact CG1-CG2 3.89Å; V86-I94 HydrophobicContact CG2-CG2 4.03Å
87G69.7Low84Confident30 Ų3071.6 Ų71.631%0.30940%0.397SS..  trans75.5161.6-178.300000113.6T85T85-G87 VanDerWaalsContact C-N 3.26Å; T85-G87 PolarHBondContact O-N 3.15Å
88E64.4Low83.8Confident89 Ų8970.3 Ų70.342%0.41638%0.382SS..SBendtrans-78.6-24.3-179.1-66.4175.4168.300113.2N90E88-N90 PolarHBondContact O-N 3.33Å
89N60.3Low83.2Confident152 Ų15269.6 Ų69.681%0.81339%0.387SS*.  trans-78.910.4-167.1-64.2-19.5000114.7D91N89-D91 PolarHBondContact O-N 3.13Å
90N63.4Low82.7Confident98 Ų9872.8 Ų72.852%0.52442%0.421SS..  trans-91.399.1172.4-79.1-23.1000108.8E88 G92E88-N90 PolarHBondContact O-N 3.33Å; N90-G92 PolarHBondContact O-N 3.14Å; N90-G92 VanDerWaalsContact O-N 3.16Å
91D68.6Low82.1Confident177 Ų17773.5 Ų73.595%0.94743%0.433SS*.  trans-66.8-6.9169.9-72.2-23000112.6N89N89-D91 PolarHBondContact O-N 3.13Å
92G83.2Confident81.8Confident39 Ų3974.9 Ų74.940%0.40244%0.44SS..SBendtrans-97.4170.1-179.400000114.1N90N90-G92 PolarHBondContact O-N 3.14Å; N90-G92 VanDerWaalsContact O-N 3.16Å
93P88.9Confident81.8Confident74 Ų7473.5 Ų73.548%0.48143%0.434SS..PPolyproline II helixtrans-65.8138.4176.529.5-35.2000111.5C57 L59 L64C57-P93 HydrophobicContact CB-CB 4.49Å; C57-P93 WeakPolarHBondContact O-CA 3.39Å; L59-P93 HydrophobicContact CB-CB 4.12Å; L64-P93 HydrophobicContact CD2-CB 3.86Å; L64-P93 HydrophobicContact CD2-CG 4.44Å
94I91.1Very high81.9Confident11 Ų1175 Ų756%0.05645%0.445CS..EExtended strand (participates in β ladder)trans-90.4119.8-179.3-59.5174.9000109.1T56 C57 L58 L59 F82 L83 V86 L96T56-I94 HydrophobicContact CG2-CD1 3.9Å; C57-I94 PolarHBondContact O-N 3.22Å; L58-I94 CarbonylContact C-O 3.59Å; L58-I94 WeakPolarHBondContact CA-O 3.36Å; L58-I94 HydrophobicContact CD2-CB 4.2Å; L59-I94 PolarHBondContact N-O 3.16Å; F82-I94 HydrophobicContact CE1-CG2 3.76Å; F82-I94 HydrophobicContact CZ-CG2 3.83Å; L83-I94 HydrophobicContact CD2-CD1 3.93Å; V86-I94 HydrophobicContact CB-CG2 4.44Å; V86-I94 HydrophobicContact CG1-CD1 3.89Å; V86-I94 HydrophobicContact CG1-CG1 3.94Å; V86-I94 HydrophobicContact CG1-CG2 3.89Å; V86-I94 HydrophobicContact CG2-CG2 4.03Å; I94-L96 PolarHBondContact O-N 3.31Å
95E91Very high82.2Confident132 Ų13270.7 Ų70.762%0.61743%0.433SS*.EExtended strand (participates in β ladder)trans-66.9114.8176-170.5174.7-165.900110.9F82F82-E95 WeakPolarHBondContact CZ-O 3.48Å
96L91.4Very high82.4Confident6 Ų669.1 Ų69.13%0.03142%0.423CS..  trans-89.2110.6-177.3-178.569000110.2L58 L59 Y60 W78 L79 F82 I94 L98 L108L58-L96 HydrophobicContact CB-CB 4.47Å; L58-L96 HydrophobicContact CD1-CD2 4.3Å; L59-L96 PolarHBondContact O-N 2.58Å; Y60-L96 HydrophobicContact CD2-CB 4.5Å; Y60-L96 HydrophobicContact CD2-CD2 4.4Å; Y60-L96 WeakPolarHBondContact CD2-O 3.38Å; W78-L96 HydrophobicContact CH2-CD1 4.14Å; W78-L96 HydrophobicContact CZ3-CD1 3.99Å; L79-L96 HydrophobicContact CD2-CD1 4.04Å; F82-L96 HydrophobicContact CE1-CD1 4.11Å; I94-L96 PolarHBondContact O-N 3.31Å; L96-L98 HydrophobicContact CD1-CD2 4.22Å; L96-L98 HydrophobicContact CD2-CD2 4.28Å; L96-L98 HydrophobicContact CD2-CG 4.26Å; L96-L98 HydrophobicContact CG-CD2 4.27Å; L96-L98 HydrophobicContact CG-CG 4.22Å; L96-L108 HydrophobicContact CD2-CD1 3.95Å; L96-L108 HydrophobicContact CD2-CD2 3.81Å
97N87.5Confident83Confident106 Ų10667 Ų6757%0.56741%0.41SS*.  trans-10997.1174.3-70.6-60.4000110.1W78W78-N97 WeakPolarHBondContact CH2-O 3.31Å; W78-N97 WeakPolarHBondContact CZ2-O 3.48Å
98L87.5Confident84.2Confident29 Ų2965.7 Ų65.715%0.15240%0.396CS..  trans-72.7141.9179.9-68.5173.4000111.7Y60 W78 L96 G100 I103 L108 L140Y60-L98 HydrophobicContact CE2-CD1 4.37Å; W78-L98 HydrophobicContact CH2-CD2 4.21Å; W78-L98 HydrophobicContact CZ3-CD2 3.84Å; L96-L98 HydrophobicContact CD1-CD2 4.22Å; L96-L98 HydrophobicContact CD2-CD2 4.28Å; L96-L98 HydrophobicContact CD2-CG 4.26Å; L96-L98 HydrophobicContact CG-CD2 4.27Å; L96-L98 HydrophobicContact CG-CG 4.22Å; L98-G100 PolarHBondContact O-N 3.36Å; L98-I103 HydrophobicContact CD1-CD1 3.33Å; L98-I103 HydrophobicContact CD1-CG1 3.74Å; L98-L108 HydrophobicContact CD1-CD1 4.19Å; L98-L140 HydrophobicContact CD2-CD1 4.19Å
99P83.7Confident85.6Confident53 Ų5364.7 Ų64.734%0.34439%0.393SS..SBendtrans-71.2128.2173.729.7-33.3000110.3W78 L140W78-P99 HydrophobicContact CZ2-CG 4.46Å; P99-L140 HydrophobicContact CG-CD2 3.5Å; P99-L140 VanDerWaalsContact CG-CD2 3.5Å
100G81.6Confident87.3Confident74 Ų7458.5 Ų58.576%0.76336%0.363SS*.SBendtrans115.4-152.117600000113.5L98L98-G100 PolarHBondContact O-N 3.36Å
101S79.7Confident88.8Confident74 Ų7453.9 Ų53.952%0.51734%0.339SS..SBendtrans-74.8148.4176480000111.2I103S101-I103 PolarHBondContact O-N 2.91Å
102P85.2Confident90.1Very high102 Ų10245.6 Ų45.666%0.66229%0.294SS*.PPolyproline II helixtrans-59133.7173.426-33.7000109.7
103I91.5Very high90.8Very high10 Ų1044.5 Ų44.55%0.05128%0.279CS..PPolyproline II helixtrans-102.8156.2176.561.1168.7000110.3Y60 L98 S101 L107 L108 L136Y60-I103 HydrophobicContact CE1-CG1 4.47Å; Y60-I103 WeakPolarHBondContact CE1-O 3.32Å; Y60-I103 WeakPolarHBondContact OH-CG1 3.35Å; Y60-I103 PolarHBondContact OH-N 3.11Å; Y60-I103 PolarHBondContact OH-O 3.01Å; L98-I103 HydrophobicContact CD1-CD1 3.33Å; L98-I103 HydrophobicContact CD1-CG1 3.74Å; S101-I103 PolarHBondContact O-N 2.91Å; I103-L107 HydrophobicContact CB-CD2 3.93Å; I103-L107 HydrophobicContact CB-CG 4.37Å; I103-L107 HydrophobicContact CD1-CG 4.35Å; I103-L107 HydrophobicContact CG2-CD2 3.94Å; I103-L108 HydrophobicContact CD1-CB 3.9Å; I103-L108 HydrophobicContact CD1-CD1 4.31Å; I103-L136 HydrophobicContact CD1-CD2 3.92Å
104S93Very high91.1Very high33 Ų3341.9 Ų41.923%0.23126%0.26CS..PPolyproline II helixtrans-64.8147.8174.367.50000110.6V106 L107 L108 E129S104-V106 PolarHBondContact O-N 3.26Å; S104-L107 PolarHBondContact O-N 3.27Å; S104-L107 VanDerWaalsContact O-N 3.07Å; S104-L107 VanDerWaalsContact OG-CB 3.26Å; S104-L107 WeakPolarHBondContact OG-CB 3.42Å; S104-L107 PolarHBondContact OG-N 2.92Å; S104-L107 VanDerWaalsContact OG-N 3.1Å; S104-L108 PolarHBondContact O-N 2.89Å; S104-E129 PolarHBondContact OG-OE1 3.38Å
105P92.7Very high91.4Very high33 Ų3341.4 Ų41.421%0.21426%0.257CS..Hα-helixtrans-59.1-29.1172.8-25.134000113Y60 E61 Q63 L108 D109Y60-P105 HydrophobicContact CD1-CG 4.5Å; Y60-P105 HydrophobicContact CE1-CG 4.38Å; E61-P105 HydrophobicContact CB-CG 4.43Å; E61-P105 WeakPolarHBondContact OE2-CD 3.45Å; E61-P105 VanDerWaalsContact OE2-CG 3.3Å; E61-P105 WeakPolarHBondContact OE2-CG 3.39Å; Q63-P105 VanDerWaalsContact OE1-CB 3.26Å; P105-L108 PolarHBondContact O-N 3.32Å; P105-D109 PolarHBondContact O-N 3.04Å
106V93Very high91.7Very high85 Ų8535.1 Ų35.152%0.51523%0.228SC..Hα-helixtrans-64.6-44.2174179.50000111.1S104 D109 A110S104-V106 PolarHBondContact O-N 3.26Å; V106-D109 PolarHBondContact O-N 2.97Å; V106-A110 PolarHBondContact O-N 3.37Å
107L94.9Very high91.9Very high0 Ų034.9 Ų34.90%023%0.227CC..Hα-helixtrans-66.7-38.1175.4174.456.6000111.6I103 S104 A110 F111 L125 E129 Q132 F133I103-L107 HydrophobicContact CB-CD2 3.93Å; I103-L107 HydrophobicContact CB-CG 4.37Å; I103-L107 HydrophobicContact CD1-CG 4.35Å; I103-L107 HydrophobicContact CG2-CD2 3.94Å; S104-L107 PolarHBondContact O-N 3.27Å; S104-L107 VanDerWaalsContact O-N 3.07Å; S104-L107 VanDerWaalsContact OG-CB 3.26Å; S104-L107 WeakPolarHBondContact OG-CB 3.42Å; S104-L107 PolarHBondContact OG-N 2.92Å; S104-L107 VanDerWaalsContact OG-N 3.1Å; L107-A110 PolarHBondContact O-N 3.43Å; L107-F111 WeakPolarHBondContact O-CB 3.2Å; L107-F111 PolarHBondContact O-N 3.32Å; L107-L125 HydrophobicContact CD1-CD1 4.35Å; L107-L125 HydrophobicContact CD1-CD2 4.33Å; L107-E129 HydrophobicContact CB-CG 4.45Å; L107-E129 WeakPolarHBondContact CD1-O 3.47Å; L107-E129 HydrophobicContact CD2-CB 4.32Å; L107-E129 WeakPolarHBondContact CD2-O 3.42Å; L107-Q132 HydrophobicContact CD2-CB 3.49Å; L107-Q132 VanDerWaalsContact CD2-CB 3.49Å; L107-F133 HydrophobicContact CD1-CB 3.75Å; L107-F133 HydrophobicContact CD1-CD2 4.27Å
108L95.1Very high92.2Very high3 Ų331.1 Ų31.12%0.01621%0.213CC..Hα-helixtrans-62.6-45.7174.7178.858.1000111.9Y60 F65 L96 L98 I103 S104 P105 A110 F111 I112Y60-L108 VanDerWaalsContact CB-CD2 3.5Å; Y60-L108 HydrophobicContact CD1-CD2 3.48Å; Y60-L108 VanDerWaalsContact CD1-CD2 3.48Å; Y60-L108 HydrophobicContact CD2-CD2 3.98Å; Y60-L108 HydrophobicContact CE1-CD2 4.18Å; Y60-L108 HydrophobicContact CG-CD2 3.36Å; F65-L108 HydrophobicContact CD2-CD2 4.21Å; F65-L108 HydrophobicContact CE1-CG 4.45Å; F65-L108 HydrophobicContact CE2-CD2 3.73Å; F65-L108 HydrophobicContact CE2-CG 4.44Å; F65-L108 HydrophobicContact CZ-CB 4.48Å; F65-L108 HydrophobicContact CZ-CD2 3.93Å; F65-L108 HydrophobicContact CZ-CG 4.19Å; L96-L108 HydrophobicContact CD2-CD1 3.95Å; L96-L108 HydrophobicContact CD2-CD2 3.81Å; L98-L108 HydrophobicContact CD1-CD1 4.19Å; I103-L108 HydrophobicContact CD1-CB 3.9Å; I103-L108 HydrophobicContact CD1-CD1 4.31Å; S104-L108 PolarHBondContact O-N 2.89Å; P105-L108 PolarHBondContact O-N 3.32Å; L108-A110 PolarHBondContact O-N 3.09Å; L108-F111 PolarHBondContact O-N 3.2Å; L108-I112 HydrophobicContact CD1-CD1 3.99Å; L108-I112 HydrophobicContact CD1-CG1 4.09Å; L108-I112 HydrophobicContact CG-CD1 4Å; L108-I112 HydrophobicContact CG-CG1 4.5Å; L108-I112 WeakPolarHBondContact O-CG1 3.46Å; L108-I112 PolarHBondContact O-N 2.98Å
109D95.2Very high92.5Very high67 Ų6733.1 Ų33.136%0.35822%0.223SC..Hα-helixtrans-57.2-48.1175.3-177.465.9000111.4Y48 F65 P105 V106 F111 I112 F113Y48-D109 WeakPolarHBondContact CE1-OD1 3.47Å; Y48-D109 PolarHBondContact OH-OD1 3.09Å; F65-D109 HydrophobicContact CE1-CB 4.01Å; P105-D109 PolarHBondContact O-N 3.04Å; V106-D109 PolarHBondContact O-N 2.97Å; D109-F111 VanDerWaalsContact C-N 3.3Å; D109-F111 PolarHBondContact O-N 3.16Å; D109-I112 PolarHBondContact O-N 3.12Å; D109-F113 WeakPolarHBondContact O-CB 3.29Å; D109-F113 PolarHBondContact O-N 3.08Å
110A95.4Very high92.9Very high22 Ų2232.8 Ų32.818%0.18222%0.218CC..Hα-helixtrans-62.2-37.5177.100000112.4V106 L107 L108 F114 L125V106-A110 PolarHBondContact O-N 3.37Å; L107-A110 PolarHBondContact O-N 3.43Å; L108-A110 PolarHBondContact O-N 3.09Å; A110-F114 WeakPolarHBondContact O-CB 3.2Å; A110-F114 PolarHBondContact O-N 3.44Å; A110-L125 HydrophobicContact CB-CD1 4.34Å; A110-L125 HydrophobicContact CB-CD2 3.99Å
111F95.5Very high93.4Very high2 Ų231.9 Ų31.91%0.00919%0.194CC..Hα-helixtrans-67.1-45.9176.2-178.6-99.9000111.8L107 L108 D109 F114 L115 F133 L136 N137 L140 V142L107-F111 WeakPolarHBondContact O-CB 3.2Å; L107-F111 PolarHBondContact O-N 3.32Å; L108-F111 PolarHBondContact O-N 3.2Å; D109-F111 VanDerWaalsContact C-N 3.3Å; D109-F111 PolarHBondContact O-N 3.16Å; F111-F114 WeakPolarHBondContact O-CB 3.31Å; F111-F114 PolarHBondContact O-N 3.08Å; F111-L115 HydrophobicContact CD1-CD1 4.38Å; F111-L115 HydrophobicContact CE1-CD1 3.96Å; F111-L115 HydrophobicContact CE1-CD2 4.26Å; F111-L115 HydrophobicContact CE1-CG 4.26Å; F111-L115 HydrophobicContact CZ-CD2 4.12Å; F111-L115 WeakPolarHBondContact O-CG 3.25Å; F111-L115 PolarHBondContact O-N 3.4Å; F111-F133 HydrophobicContact CB-CD2 4.41Å; F111-F133 HydrophobicContact CB-CE2 4.42Å; F111-F133 AromaticContact CD2-CD2 3.89Å; F111-F133 HydrophobicContact CD2-CD2 3.89Å; F111-F133 AromaticContact CD2-CE2 3.62Å; F111-F133 HydrophobicContact CD2-CE2 3.62Å; F111-F133 HydrophobicContact CE2-CE2 4.42Å; F111-F133 HydrophobicContact CG-CE2 4.49Å; F111-L136 HydrophobicContact CB-CD2 4.28Å; F111-L136 HydrophobicContact CD1-CD2 4.06Å; F111-L136 HydrophobicContact CD2-CD2 3.72Å; F111-L136 HydrophobicContact CD2-CG 4.33Å; F111-L136 HydrophobicContact CE1-CD2 4.33Å; F111-L136 HydrophobicContact CE2-CD2 4.03Å; F111-L136 HydrophobicContact CE2-CG 4.17Å; F111-L136 HydrophobicContact CG-CD2 3.74Å; F111-L136 HydrophobicContact CZ-CD2 4.33Å; F111-L136 HydrophobicContact CZ-CG 4.39Å; F111-N137 HydrophobicContact CE2-CB 4.49Å; F111-L140 HydrophobicContact CE1-CD1 3.7Å; F111-L140 HydrophobicContact CZ-CB 4.46Å; F111-L140 HydrophobicContact CZ-CD1 3.64Å; F111-V142 HydrophobicContact CE2-CG2 4.21Å; F111-V142 HydrophobicContact CZ-CG2 3.75Å
112I96Very high93.9Very high3 Ų335.9 Ų35.92%0.01520%0.198CC..Hα-helixtrans-62.4-46.2175.8-64.2168.7000109.6Y48 F65 V67 L108 D109 F114 L115 Y116Y48-I112 HydrophobicContact CD2-CG2 3.91Å; Y48-I112 HydrophobicContact CE2-CB 4.17Å; Y48-I112 HydrophobicContact CE2-CG2 3.31Å; F65-I112 HydrophobicContact CB-CD1 4.08Å; F65-I112 HydrophobicContact CD1-CD1 3.79Å; F65-I112 HydrophobicContact CE1-CD1 4.45Å; F65-I112 HydrophobicContact CG-CD1 3.99Å; V67-I112 HydrophobicContact CG1-CD1 4.4Å; V67-I112 HydrophobicContact CG1-CG2 3.92Å; L108-I112 HydrophobicContact CD1-CD1 3.99Å; L108-I112 HydrophobicContact CD1-CG1 4.09Å; L108-I112 HydrophobicContact CG-CD1 4Å; L108-I112 HydrophobicContact CG-CG1 4.5Å; L108-I112 WeakPolarHBondContact O-CG1 3.46Å; L108-I112 PolarHBondContact O-N 2.98Å; D109-I112 PolarHBondContact O-N 3.12Å; I112-F114 PolarHBondContact O-N 3.04Å; I112-L115 WeakPolarHBondContact O-CA 3.33Å; I112-L115 WeakPolarHBondContact O-CB 3.43Å; I112-L115 PolarHBondContact O-N 3.01Å; I112-Y116 HydrophobicContact CG2-CD2 4.16Å; I112-Y116 HydrophobicContact CG2-CE2 3.83Å; I112-Y116 WeakPolarHBondContact O-CD2 3.33Å; I112-Y116 PolarHBondContact O-N 2.73Å
113F96.3Very high94.3Very high16 Ų1637.9 Ų37.97%0.0720%0.198CC..Hα-helixtrans-56-39.3175.4-175.1-95.2000112.5A45 Y48 D109 L115 Y116 T117 H121A45-F113 HydrophobicContact CB-CE2 3.82Å; A45-F113 HydrophobicContact CB-CZ 3.92Å; Y48-F113 HydrophobicContact CD1-CB 4.36Å; Y48-F113 AromaticContact CD1-CD2 3.8Å; Y48-F113 HydrophobicContact CD1-CD2 3.8Å; Y48-F113 HydrophobicContact CE1-CB 4.17Å; Y48-F113 HydrophobicContact CE1-CD2 4.29Å; D109-F113 WeakPolarHBondContact O-CB 3.29Å; D109-F113 PolarHBondContact O-N 3.08Å; F113-L115 VanDerWaalsContact C-N 3.33Å; F113-L115 PolarHBondContact O-N 3.44Å; F113-Y116 PolarHBondContact O-N 2.57Å; F113-T117 HydrophobicContact CD1-CG2 4.36Å; F113-T117 HydrophobicContact CD2-CG2 4.46Å; F113-T117 HydrophobicContact CE1-CG2 3.82Å; F113-T117 WeakPolarHBondContact CE1-OG1 3.41Å; F113-T117 HydrophobicContact CE2-CG2 3.94Å; F113-T117 HydrophobicContact CZ-CG2 3.57Å; F113-T117 PolarHBondContact O-N 3.27Å; F113-T117 PolarHBondContact O-OG1 2.76Å; F113-H121 AromaticContact CE1-CD2 3.61Å; F113-H121 AromaticContact CE1-NE2 3.51Å
114F96.5Very high94.2Very high19 Ų1944.1 Ų44.18%0.08323%0.225CC..Hα-helixtrans-64.1-32.9173.3170.4-98.5000112.8A110 F111 I112 Y116 G118 I120 F133 N137 V142A110-F114 WeakPolarHBondContact O-CB 3.2Å; A110-F114 PolarHBondContact O-N 3.44Å; F111-F114 WeakPolarHBondContact O-CB 3.31Å; F111-F114 PolarHBondContact O-N 3.08Å; I112-F114 PolarHBondContact O-N 3.04Å; F114-Y116 VanDerWaalsContact C-N 3.35Å; F114-Y116 PolarHBondContact O-N 2.84Å; F114-G118 VanDerWaalsContact CD2-C 3.49Å; F114-G118 VanDerWaalsContact CE2-O 3.3Å; F114-G118 WeakPolarHBondContact CE2-O 3.41Å; F114-G118 VanDerWaalsContact O-CA 3.25Å; F114-G118 WeakPolarHBondContact O-CA 3.35Å; F114-G118 PolarHBondContact O-N 3.38Å; F114-I120 HydrophobicContact CD2-CB 4.33Å; F114-F133 HydrophobicContact CB-CE2 4.04Å; F114-F133 HydrophobicContact CB-CZ 4.18Å; F114-F133 HydrophobicContact CD1-CE2 4Å; F114-F133 AromaticContact CD1-CZ 3.63Å; F114-F133 HydrophobicContact CD1-CZ 3.63Å; F114-F133 AromaticContact CD2-CZ 3.95Å; F114-F133 HydrophobicContact CD2-CZ 3.95Å; F114-F133 AromaticContact CE1-CZ 3.93Å; F114-F133 HydrophobicContact CE1-CZ 3.93Å; F114-F133 HydrophobicContact CE2-CZ 4.24Å; F114-F133 AromaticContact CG-CE2 3.97Å; F114-F133 HydrophobicContact CG-CE2 3.97Å; F114-F133 AromaticContact CG-CZ 3.64Å; F114-F133 HydrophobicContact CG-CZ 3.64Å; F114-F133 HydrophobicContact CZ-CZ 4.23Å; F114-N137 VanDerWaalsContact CE1-OD1 3.25Å; F114-N137 WeakPolarHBondContact CE1-OD1 3.27Å; F114-V142 HydrophobicContact CE1-CG1 3.79Å
115L96.7Very high94.2Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-63.9-41.3173.6-59.8178.1000111.3L72 R75 C76 L79 F111 I112 F113 V142 W146L72-L115 HydrophobicContact CD2-CD1 3.54Å; R75-L115 HydrophobicContact CB-CB 4.14Å; R75-L115 HydrophobicContact CB-CD2 3.96Å; R75-L115 WeakPolarHBondContact CG-O 3.13Å; R75-L115 PolarHBondContact NE-O 3.46Å; C76-L115 HydrophobicContact CB-CD1 4.29Å; C76-L115 HydrophobicContact CB-CD2 4.23Å; L79-L115 HydrophobicContact CD1-CD1 3.81Å; F111-L115 HydrophobicContact CD1-CD1 4.38Å; F111-L115 HydrophobicContact CE1-CD1 3.96Å; F111-L115 HydrophobicContact CE1-CD2 4.26Å; F111-L115 HydrophobicContact CE1-CG 4.26Å; F111-L115 HydrophobicContact CZ-CD2 4.12Å; F111-L115 WeakPolarHBondContact O-CG 3.25Å; F111-L115 PolarHBondContact O-N 3.4Å; I112-L115 WeakPolarHBondContact O-CA 3.33Å; I112-L115 WeakPolarHBondContact O-CB 3.43Å; I112-L115 PolarHBondContact O-N 3.01Å; F113-L115 VanDerWaalsContact C-N 3.33Å; F113-L115 PolarHBondContact O-N 3.44Å; L115-V142 HydrophobicContact CD2-CG1 3.97Å; L115-V142 HydrophobicContact CD2-CG2 3.79Å; L115-W146 PolarHBondContact O-NE1 2.95Å
116Y97Very high94.3Very high0 Ų044.3 Ų44.30%023%0.225CC..Hα-helixtrans-70.8-35.8178.8-79-102.4000113.3L44 L47 Y48 V67 H68 I71 I112 F113 F114 W146L44-Y116 HydrophobicContact CB-CD1 4.32Å; L44-Y116 WeakPolarHBondContact CB-O 3.09Å; L44-Y116 WeakPolarHBondContact O-CD1 3.42Å; L47-Y116 HydrophobicContact CD2-CD1 4.16Å; L47-Y116 HydrophobicContact CD2-CE1 3.77Å; L47-Y116 HydrophobicContact CG-CE1 4.12Å; Y48-Y116 HydrophobicContact CD2-CD2 4.14Å; Y48-Y116 AromaticContact CD2-CE2 3.81Å; Y48-Y116 HydrophobicContact CD2-CE2 3.81Å; Y48-Y116 HydrophobicContact CG-CD2 4.27Å; Y48-Y116 HydrophobicContact CG-CE2 4.35Å; V67-Y116 WeakPolarHBondContact CA-OH 3.34Å; H68-Y116 WeakPolarHBondContact CB-OH 2.72Å; H68-Y116 PolarHBondContact N-OH 3.34Å; H68-Y116 AromaticContact ND1-CE1 3.47Å; H68-Y116 WeakPolarHBondContact ND1-CE1 3.39Å; H68-Y116 AromaticContact ND1-CZ 3.53Å; H68-Y116 PolarHBondContact ND1-OH 3.47Å; I71-Y116 HydrophobicContact CB-CE1 4.14Å; I71-Y116 HydrophobicContact CG1-CD1 4.22Å; I71-Y116 HydrophobicContact CG1-CE1 3.83Å; I71-Y116 HydrophobicContact CG2-CD1 4.02Å; I71-Y116 HydrophobicContact CG2-CD2 4.02Å; I71-Y116 HydrophobicContact CG2-CE1 4.09Å; I71-Y116 HydrophobicContact CG2-CE2 4.09Å; I71-Y116 HydrophobicContact CG2-CG 3.99Å; I112-Y116 HydrophobicContact CG2-CD2 4.16Å; I112-Y116 HydrophobicContact CG2-CE2 3.83Å; I112-Y116 WeakPolarHBondContact O-CD2 3.33Å; I112-Y116 PolarHBondContact O-N 2.73Å; F113-Y116 PolarHBondContact O-N 2.57Å; F114-Y116 VanDerWaalsContact C-N 3.35Å; F114-Y116 PolarHBondContact O-N 2.84Å; Y116-W146 WeakPolarHBondContact O-CZ2 3.41Å; Y116-W146 PolarHBondContact O-NE1 3.35Å
117T95.9Very high94.3Very high2 Ų245.1 Ų45.11%0.01223%0.23CC..Hα-helixtrans-113-24.1-168.3620000114.1Q41 A45 F113 I119Q41-T117 WeakPolarHBondContact CG-O 3.39Å; Q41-T117 PolarHBondContact NE2-O 3.14Å; A45-T117 HydrophobicContact CB-CG2 3.58Å; F113-T117 HydrophobicContact CD1-CG2 4.36Å; F113-T117 HydrophobicContact CD2-CG2 4.46Å; F113-T117 HydrophobicContact CE1-CG2 3.82Å; F113-T117 WeakPolarHBondContact CE1-OG1 3.41Å; F113-T117 HydrophobicContact CE2-CG2 3.94Å; F113-T117 HydrophobicContact CZ-CG2 3.57Å; F113-T117 PolarHBondContact O-N 3.27Å; F113-T117 PolarHBondContact O-OG1 2.76Å; T117-I119 PolarHBondContact O-N 2.92Å; T117-I119 PolarHBondContact OG1-N 3.03Å; T117-I119 PolarHBondContact OG1-O 3.4Å
118G94.7Very high94.3Very high27 Ų2749.3 Ų49.328%0.27826%0.256SS..SBendtrans70.16-167.500000114F114F114-G118 VanDerWaalsContact CD2-C 3.49Å; F114-G118 VanDerWaalsContact CE2-O 3.3Å; F114-G118 WeakPolarHBondContact CE2-O 3.41Å; F114-G118 VanDerWaalsContact O-CA 3.25Å; F114-G118 WeakPolarHBondContact O-CA 3.35Å; F114-G118 PolarHBondContact O-N 3.38Å
119I93.3Very high94.2Very high71 Ų7150.7 Ų50.736%0.36426%0.263SS..  trans-108.8134.4178.8-65.4170.5000110Q41 T117Q41-I119 VanDerWaalsContact CD-CD1 3.43Å; Q41-I119 HydrophobicContact CG-CD1 4.36Å; Q41-I119 VanDerWaalsContact NE2-CG1 3.29Å; T117-I119 PolarHBondContact O-N 2.92Å; T117-I119 PolarHBondContact OG1-N 3.03Å; T117-I119 PolarHBondContact OG1-O 3.4Å
120I91.6Very high94.1Very high46 Ų4650.9 Ų50.924%0.23626%0.259CS..  trans-108.3122.2170.4179.8158.5000110.7F114 R122 L125 Y130 F133F114-I120 HydrophobicContact CD2-CB 4.33Å; I120-R122 PolarHBondContact O-N 2.94Å; I120-R122 VanDerWaalsContact O-N 3.16Å; I120-L125 HydrophobicContact CD1-CD1 3.86Å; I120-L125 HydrophobicContact CG1-CD1 4.18Å; I120-Y130 HydrophobicContact CD1-CD2 3.88Å; I120-Y130 HydrophobicContact CD1-CE2 3.85Å; I120-Y130 HydrophobicContact CG1-CE2 4.49Å; I120-F133 HydrophobicContact CB-CZ 4.41Å; I120-F133 HydrophobicContact CD1-CB 4.26Å; I120-F133 HydrophobicContact CD1-CD1 3.29Å; I120-F133 HydrophobicContact CD1-CD2 3.69Å; I120-F133 HydrophobicContact CD1-CE1 3.39Å; I120-F133 HydrophobicContact CD1-CE2 3.76Å; I120-F133 HydrophobicContact CD1-CG 3.45Å; I120-F133 VanDerWaalsContact CD1-CG 3.45Å; I120-F133 HydrophobicContact CD1-CZ 3.63Å
121H92.1Very high94.1Very high54 Ų5455.7 Ų55.725%0.2528%0.277CS..  trans-83.183.1174-70.3-68.5000110.4F113 E123 K124F113-H121 AromaticContact CE1-CD2 3.61Å; F113-H121 AromaticContact CE1-NE2 3.51Å; H121-E123 WeakPolarHBondContact CB-OE1 3.22Å; H121-E123 IonicContact CG-OE1 3.56Å; H121-E123 IonicContact ND1-OE1 2.77Å; H121-E123 PolarHBondContact ND1-OE1 2.94Å; H121-E123 PolarHBondContact O-N 3.09Å; H121-K124 HydrophobicContact CB-CB 4.42Å; H121-K124 HydrophobicContact CB-CD 3.97Å; H121-K124 HydrophobicContact CB-CG 4.08Å; H121-K124 PolarHBondContact O-N 3.37Å
122R90.6Very high93.9Very high159 Ų15958.4 Ų58.460%0.629%0.29SS*.G310 helixtrans-57.5-31.4-177.4-175.4175.5-179.9-178.41.3112.7I120 K124 L125 Y130I120-R122 PolarHBondContact O-N 2.94Å; I120-R122 VanDerWaalsContact O-N 3.16Å; R122-K124 PolarHBondContact O-N 2.96Å; R122-L125 PolarHBondContact O-N 3.42Å; R122-Y130 HydrophobicContact CG-CD2 4.15Å; R122-Y130 HydrophobicContact CG-CE2 4.34Å
123E92.4Very high93.9Very high143 Ų14358.7 Ų58.767%0.66829%0.291SS*.G310 helixtrans-62.5-21.1177.463.6-81.1-173.600114.2H121H121-E123 WeakPolarHBondContact CB-OE1 3.22Å; H121-E123 IonicContact CG-OE1 3.56Å; H121-E123 IonicContact ND1-OE1 2.77Å; H121-E123 PolarHBondContact ND1-OE1 2.94Å; H121-E123 PolarHBondContact O-N 3.09Å
124K91Very high93.7Very high142 Ų14260.6 Ų60.662%0.61731%0.306SS*.G310 helixtrans-91.1-9.1178.4-64.4-175.5179.6179.40113.6H121 R122H121-K124 HydrophobicContact CB-CB 4.42Å; H121-K124 HydrophobicContact CB-CD 3.97Å; H121-K124 HydrophobicContact CB-CG 4.08Å; H121-K124 PolarHBondContact O-N 3.37Å; R122-K124 PolarHBondContact O-N 2.96Å
125L93.3Very high93.5Very high19 Ų1964.9 Ų64.910%0.09933%0.329CS..SBendtrans-113.9141-173.4-62.2175.5000110.7L107 A110 I120 R122 E129L107-L125 HydrophobicContact CD1-CD1 4.35Å; L107-L125 HydrophobicContact CD1-CD2 4.33Å; A110-L125 HydrophobicContact CB-CD1 4.34Å; A110-L125 HydrophobicContact CB-CD2 3.99Å; I120-L125 HydrophobicContact CD1-CD1 3.86Å; I120-L125 HydrophobicContact CG1-CD1 4.18Å; R122-L125 PolarHBondContact O-N 3.42Å; L125-E129 HydrophobicContact CB-CB 4.22Å; L125-E129 HydrophobicContact CD2-CB 4.21Å
126S93.9Very high93.3Very high50 Ų5065.4 Ų65.435%0.3533%0.332SS..  trans-66.1160.2166.163.80000111.1T128 E129 Y130S126-T128 PolarHBondContact O-N 2.82Å; S126-T128 PolarHBondContact OG-OG1 3.34Å; S126-T128 VanDerWaalsContact OG-OG1 3.07Å; S126-E129 WeakPolarHBondContact CB-OE2 3.49Å; S126-E129 PolarHBondContact N-OE2 3.3Å; S126-E129 PolarHBondContact O-N 3.15Å; S126-E129 VanDerWaalsContact O-N 3.14Å; S126-E129 WeakPolarHBondContact OG-CB 3.5Å; S126-E129 VanDerWaalsContact OG-CD 3.25Å; S126-E129 WeakPolarHBondContact OG-CG 2.99Å; S126-E129 PolarHBondContact OG-N 3.28Å; S126-E129 PolarHBondContact OG-OE2 3.27Å; S126-Y130 PolarHBondContact O-N 3.22Å
127T93.5Very high93.1Very high102 Ų10266.5 Ų66.563%0.62634%0.337SS*.Hα-helixtrans-54.8-40.2176.6-510000112Y130 E131T127-Y130 PolarHBondContact O-N 2.72Å; T127-E131 WeakPolarHBondContact O-CG 3.07Å; T127-E131 PolarHBondContact O-N 3.03Å; T127-E131 VanDerWaalsContact O-N 3.11Å
128T93.5Very high92.8Very high88 Ų8870.5 Ų70.554%0.5437%0.365SS..Hα-helixtrans-67.3-42.3177.945.10000112.5S126 Y130 E131 Q132S126-T128 PolarHBondContact O-N 2.82Å; S126-T128 PolarHBondContact OG-OG1 3.34Å; S126-T128 VanDerWaalsContact OG-OG1 3.07Å; T128-Y130 VanDerWaalsContact C-N 3.31Å; T128-Y130 PolarHBondContact O-N 2.81Å; T128-E131 PolarHBondContact O-N 3.15Å; T128-Q132 WeakPolarHBondContact O-CG 3.35Å; T128-Q132 PolarHBondContact O-N 3.12Å
129E93.9Very high92.7Very high33 Ų3373 Ų7315%0.15438%0.376CS..Hα-helixtrans-66.6-35.6177.2-73.4165.5137.500111.5S104 L107 L125 S126 Q132 F133S104-E129 PolarHBondContact OG-OE1 3.38Å; L107-E129 HydrophobicContact CB-CG 4.45Å; L107-E129 WeakPolarHBondContact CD1-O 3.47Å; L107-E129 HydrophobicContact CD2-CB 4.32Å; L107-E129 WeakPolarHBondContact CD2-O 3.42Å; L125-E129 HydrophobicContact CB-CB 4.22Å; L125-E129 HydrophobicContact CD2-CB 4.21Å; S126-E129 WeakPolarHBondContact CB-OE2 3.49Å; S126-E129 PolarHBondContact N-OE2 3.3Å; S126-E129 PolarHBondContact O-N 3.15Å; S126-E129 VanDerWaalsContact O-N 3.14Å; S126-E129 WeakPolarHBondContact OG-CB 3.5Å; S126-E129 VanDerWaalsContact OG-CD 3.25Å; S126-E129 WeakPolarHBondContact OG-CG 2.99Å; S126-E129 PolarHBondContact OG-N 3.28Å; S126-E129 PolarHBondContact OG-OE2 3.27Å; E129-Q132 PolarHBondContact O-N 3.21Å; E129-F133 WeakPolarHBondContact O-CB 3.47Å; E129-F133 PolarHBondContact O-N 3Å
130Y94.1Very high92.7Very high71 Ų7169.8 Ų69.828%0.27836%0.359SS..Hα-helixtrans-66.6-39.3175.3-176.6-97.1000112.6I120 R122 S126 T127 T128 F133 C134I120-Y130 HydrophobicContact CD1-CD2 3.88Å; I120-Y130 HydrophobicContact CD1-CE2 3.85Å; I120-Y130 HydrophobicContact CG1-CE2 4.49Å; R122-Y130 HydrophobicContact CG-CD2 4.15Å; R122-Y130 HydrophobicContact CG-CE2 4.34Å; S126-Y130 PolarHBondContact O-N 3.22Å; T127-Y130 PolarHBondContact O-N 2.72Å; T128-Y130 VanDerWaalsContact C-N 3.31Å; T128-Y130 PolarHBondContact O-N 2.81Å; Y130-F133 WeakPolarHBondContact O-CB 3.18Å; Y130-F133 PolarHBondContact O-N 3.14Å; Y130-C134 PolarHBondContact O-N 2.8Å; Y130-C134 PolarHBondContact O-SG 2.78Å
131E93.4Very high92.7Very high123 Ų12369.6 Ų69.658%0.57537%0.369SS*.Hα-helixtrans-63.1-42.9172.7-72.5172.6-178.100111.5T127 T128 F133 C134 L135T127-E131 WeakPolarHBondContact O-CG 3.07Å; T127-E131 PolarHBondContact O-N 3.03Å; T127-E131 VanDerWaalsContact O-N 3.11Å; T128-E131 PolarHBondContact O-N 3.15Å; E131-F133 VanDerWaalsContact C-N 3.35Å; E131-F133 PolarHBondContact O-N 2.78Å; E131-C134 PolarHBondContact O-N 3.06Å; E131-L135 PolarHBondContact O-N 3.49Å; E131-L135 VanDerWaalsContact O-N 3.11Å
132Q93.3Very high92.8Very high58 Ų5867.7 Ų67.727%0.27136%0.361SS..Hα-helixtrans-61.8-41173.3-71.1177.4-60.100111.9L107 T128 E129 C134 L135 L136L107-Q132 HydrophobicContact CD2-CB 3.49Å; L107-Q132 VanDerWaalsContact CD2-CB 3.49Å; T128-Q132 WeakPolarHBondContact O-CG 3.35Å; T128-Q132 PolarHBondContact O-N 3.12Å; E129-Q132 PolarHBondContact O-N 3.21Å; Q132-C134 VanDerWaalsContact C-N 3.34Å; Q132-C134 PolarHBondContact O-N 2.88Å; Q132-L135 PolarHBondContact O-N 3.16Å; Q132-L136 VanDerWaalsContact O-CB 3.28Å; Q132-L136 WeakPolarHBondContact O-CB 3.32Å; Q132-L136 PolarHBondContact O-N 2.92Å
133F94.1Very high92.7Very high10 Ų1062.3 Ų62.34%0.04435%0.348CS..Hα-helixtrans-56.2-47.9173.8175.6-91.6000111.4L107 F111 F114 I120 E129 Y130 E131 L135 L136 N137L107-F133 HydrophobicContact CD1-CB 3.75Å; L107-F133 HydrophobicContact CD1-CD2 4.27Å; F111-F133 HydrophobicContact CB-CD2 4.41Å; F111-F133 HydrophobicContact CB-CE2 4.42Å; F111-F133 AromaticContact CD2-CD2 3.89Å; F111-F133 HydrophobicContact CD2-CD2 3.89Å; F111-F133 AromaticContact CD2-CE2 3.62Å; F111-F133 HydrophobicContact CD2-CE2 3.62Å; F111-F133 HydrophobicContact CE2-CE2 4.42Å; F111-F133 HydrophobicContact CG-CE2 4.49Å; F114-F133 HydrophobicContact CB-CE2 4.04Å; F114-F133 HydrophobicContact CB-CZ 4.18Å; F114-F133 HydrophobicContact CD1-CE2 4Å; F114-F133 AromaticContact CD1-CZ 3.63Å; F114-F133 HydrophobicContact CD1-CZ 3.63Å; F114-F133 AromaticContact CD2-CZ 3.95Å; F114-F133 HydrophobicContact CD2-CZ 3.95Å; F114-F133 AromaticContact CE1-CZ 3.93Å; F114-F133 HydrophobicContact CE1-CZ 3.93Å; F114-F133 HydrophobicContact CE2-CZ 4.24Å; F114-F133 AromaticContact CG-CE2 3.97Å; F114-F133 HydrophobicContact CG-CE2 3.97Å; F114-F133 AromaticContact CG-CZ 3.64Å; F114-F133 HydrophobicContact CG-CZ 3.64Å; F114-F133 HydrophobicContact CZ-CZ 4.23Å; I120-F133 HydrophobicContact CB-CZ 4.41Å; I120-F133 HydrophobicContact CD1-CB 4.26Å; I120-F133 HydrophobicContact CD1-CD1 3.29Å; I120-F133 HydrophobicContact CD1-CD2 3.69Å; I120-F133 HydrophobicContact CD1-CE1 3.39Å; I120-F133 HydrophobicContact CD1-CE2 3.76Å; I120-F133 HydrophobicContact CD1-CG 3.45Å; I120-F133 VanDerWaalsContact CD1-CG 3.45Å; I120-F133 HydrophobicContact CD1-CZ 3.63Å; E129-F133 WeakPolarHBondContact O-CB 3.47Å; E129-F133 PolarHBondContact O-N 3Å; Y130-F133 WeakPolarHBondContact O-CB 3.18Å; Y130-F133 PolarHBondContact O-N 3.14Å; E131-F133 VanDerWaalsContact C-N 3.35Å; E131-F133 PolarHBondContact O-N 2.78Å; F133-L135 VanDerWaalsContact C-N 3.33Å; F133-L135 PolarHBondContact O-N 2.59Å; F133-L136 PolarHBondContact O-N 3.45Å; F133-N137 HydrophobicContact CE1-CB 4.3Å; F133-N137 VanDerWaalsContact O-CB 3.31Å; F133-N137 WeakPolarHBondContact O-CB 3.42Å; F133-N137 PolarHBondContact O-N 3.39Å
134C92.9Very high92.5Very high55 Ų5562.6 Ų62.637%0.37235%0.354SS..Hα-helixtrans-63.6-41-177.9-65.30000111.6Y130 E131 Q132 S138Y130-C134 PolarHBondContact O-N 2.8Å; Y130-C134 PolarHBondContact O-SG 2.78Å; E131-C134 PolarHBondContact O-N 3.06Å; Q132-C134 VanDerWaalsContact C-N 3.34Å; Q132-C134 PolarHBondContact O-N 2.88Å; C134-S138 PolarHBondContact O-N 3.5Å; C134-S138 PolarHBondContact O-OG 2.95Å; C134-S138 VanDerWaalsContact O-OG 3.05Å
135L92.5Very high92.7Very high109 Ų10959.9 Ų59.957%0.57135%0.346SS*.Hα-helixtrans-64.8-43.6173.9-17861.8000111.4E131 Q132 F133 S138 T139E131-L135 PolarHBondContact O-N 3.49Å; E131-L135 VanDerWaalsContact O-N 3.11Å; Q132-L135 PolarHBondContact O-N 3.16Å; F133-L135 VanDerWaalsContact C-N 3.33Å; F133-L135 PolarHBondContact O-N 2.59Å; L135-S138 PolarHBondContact O-N 3.43Å; L135-S138 PolarHBondContact O-OG 3.47Å; L135-T139 VanDerWaalsContact O-CB 3.24Å; L135-T139 WeakPolarHBondContact O-CB 3.32Å; L135-T139 PolarHBondContact O-N 3.41Å; L135-T139 PolarHBondContact O-OG1 2.91Å
136L92Very high92.8Very high12 Ų1259.7 Ų59.76%0.06334%0.344CS..Hα-helixtrans-63.8-46.6179-170.270000111.5I103 F111 Q132 F133 S138 T139 L140I103-L136 HydrophobicContact CD1-CD2 3.92Å; F111-L136 HydrophobicContact CB-CD2 4.28Å; F111-L136 HydrophobicContact CD1-CD2 4.06Å; F111-L136 HydrophobicContact CD2-CD2 3.72Å; F111-L136 HydrophobicContact CD2-CG 4.33Å; F111-L136 HydrophobicContact CE1-CD2 4.33Å; F111-L136 HydrophobicContact CE2-CD2 4.03Å; F111-L136 HydrophobicContact CE2-CG 4.17Å; F111-L136 HydrophobicContact CG-CD2 3.74Å; F111-L136 HydrophobicContact CZ-CD2 4.33Å; F111-L136 HydrophobicContact CZ-CG 4.39Å; Q132-L136 VanDerWaalsContact O-CB 3.28Å; Q132-L136 WeakPolarHBondContact O-CB 3.32Å; Q132-L136 PolarHBondContact O-N 2.92Å; F133-L136 PolarHBondContact O-N 3.45Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 3.32Å; L136-T139 PolarHBondContact O-N 2.89Å; L136-T139 VanDerWaalsContact O-N 3.16Å; L136-L140 HydrophobicContact CD1-CD1 3.59Å; L136-L140 HydrophobicContact CD1-CD2 4.32Å; L136-L140 HydrophobicContact CD1-CG 3.79Å; L136-L140 HydrophobicContact CD2-CD1 4.27Å; L136-L140 HydrophobicContact CG-CD1 3.66Å; L136-L140 HydrophobicContact CG-CG 4.03Å; L136-L140 WeakPolarHBondContact O-CB 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 3.28Å
137N92.4Very high92.8Very high22 Ų2263.1 Ų63.112%0.11835%0.354CS..Hα-helixtrans-58.5-42.7-179.8-167.661.7000112F111 F114 F133 V142F111-N137 HydrophobicContact CE2-CB 4.49Å; F114-N137 VanDerWaalsContact CE1-OD1 3.25Å; F114-N137 WeakPolarHBondContact CE1-OD1 3.27Å; F133-N137 HydrophobicContact CE1-CB 4.3Å; F133-N137 VanDerWaalsContact O-CB 3.31Å; F133-N137 WeakPolarHBondContact O-CB 3.42Å; F133-N137 PolarHBondContact O-N 3.39Å; N137-V142 PolarHBondContact O-N 2.91Å; N137-V142 WeakPolarHBondContact OD1-CB 3.43Å; N137-V142 WeakPolarHBondContact OD1-CG1 3.48Å
138S90.7Very high92.8Very high86 Ų8660.4 Ų60.460%0.60134%0.342SS*.Hα-helixtrans-72.1-38.1175.5570000113C134 L135 L136C134-S138 PolarHBondContact O-N 3.5Å; C134-S138 PolarHBondContact O-OG 2.95Å; C134-S138 VanDerWaalsContact O-OG 3.05Å; L135-S138 PolarHBondContact O-N 3.43Å; L135-S138 PolarHBondContact O-OG 3.47Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 3.32Å
139T92.4Very high92.9Very high80 Ų8057.4 Ų57.449%0.49132%0.323SS..Hα-helixtrans-72.2-38.7-178-580000112.6L135 L136 G141L135-T139 VanDerWaalsContact O-CB 3.24Å; L135-T139 WeakPolarHBondContact O-CB 3.32Å; L135-T139 PolarHBondContact O-N 3.41Å; L135-T139 PolarHBondContact O-OG1 2.91Å; L136-T139 PolarHBondContact O-N 2.89Å; L136-T139 VanDerWaalsContact O-N 3.16Å; T139-G141 VanDerWaalsContact C-N 3.3Å; T139-G141 PolarHBondContact O-N 3.21Å
140L93.1Very high92.9Very high3 Ų355.9 Ų55.92%0.01632%0.316CS..THydrogen-bonded Turntrans-83.6-3.7-177.5-61.8-171.4000113.9W78 L98 P99 F111 L136W78-L140 HydrophobicContact CB-CB 4.21Å; W78-L140 HydrophobicContact CB-CD2 3.93Å; W78-L140 WeakPolarHBondContact CB-O 3.44Å; W78-L140 HydrophobicContact CD2-CD2 3.82Å; W78-L140 HydrophobicContact CE3-CD2 3.96Å; W78-L140 HydrophobicContact CG-CD2 3.78Å; W78-L140 PolarHBondContact N-O 3.04Å; W78-L140 VanDerWaalsContact N-O 3.17Å; L98-L140 HydrophobicContact CD2-CD1 4.19Å; P99-L140 HydrophobicContact CG-CD2 3.5Å; P99-L140 VanDerWaalsContact CG-CD2 3.5Å; F111-L140 HydrophobicContact CE1-CD1 3.7Å; F111-L140 HydrophobicContact CZ-CB 4.46Å; F111-L140 HydrophobicContact CZ-CD1 3.64Å; L136-L140 HydrophobicContact CD1-CD1 3.59Å; L136-L140 HydrophobicContact CD1-CD2 4.32Å; L136-L140 HydrophobicContact CD1-CG 3.79Å; L136-L140 HydrophobicContact CD2-CD1 4.27Å; L136-L140 HydrophobicContact CG-CD1 3.66Å; L136-L140 HydrophobicContact CG-CG 4.03Å; L136-L140 WeakPolarHBondContact O-CB 3.24Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 3.28Å
141G91.4Very high92.9Very high43 Ų4353.7 Ų53.744%0.44331%0.313SS..THydrogen-bonded Turntrans70.145175.700000113.3T139T139-G141 VanDerWaalsContact C-N 3.3Å; T139-G141 PolarHBondContact O-N 3.21Å
142V93.5Very high92.8Very high13 Ų1349.9 Ų49.98%0.07930%0.3CS..BIsolated β-bridgetrans-84.8129.4175.7177.10000110.1R75 C76 F111 F114 L115 N137R75-V142 WeakPolarHBondContact O-CA 3.46Å; R75-V142 WeakPolarHBondContact O-CG1 3.49Å; C76-V142 HydrophobicContact CB-CG2 4.07Å; F111-V142 HydrophobicContact CE2-CG2 4.21Å; F111-V142 HydrophobicContact CZ-CG2 3.75Å; F114-V142 HydrophobicContact CE1-CG1 3.79Å; L115-V142 HydrophobicContact CD2-CG1 3.97Å; L115-V142 HydrophobicContact CD2-CG2 3.79Å; N137-V142 PolarHBondContact O-N 2.91Å; N137-V142 WeakPolarHBondContact OD1-CB 3.43Å; N137-V142 WeakPolarHBondContact OD1-CG1 3.48Å
143S89.8Confident92.8Very high47 Ų4747.5 Ų47.533%0.32929%0.289SS..  trans-73.3144.1177.7178.60000111.8R75 D145 D149R75-S143 PolarHBondContact NH1-O 2.74Å; R75-S143 PolarHBondContact NH2-O 2.86Å; S143-D145 VanDerWaalsContact C-N 3.31Å; S143-D145 PolarHBondContact OG-N 2.71Å; S143-D145 VanDerWaalsContact OG-N 3.16Å; S143-D149 WeakPolarHBondContact CB-OD2 3.5Å; S143-D149 PolarHBondContact OG-OD1 3.14Å
144N88.2Confident92.6Very high148 Ų14848 Ų4879%0.79129%0.292SS*.SBendtrans-76.7-17.3172.8-69-29.7000112.9W146N144-W146 PolarHBondContact O-N 3.04Å
145D94.1Very high92.4Very high85 Ų8551.3 Ų51.346%0.45530%0.301SS..  trans-94.382.1179.3-165.1-17.2000110.8S143 H147 A148 D149S143-D145 VanDerWaalsContact C-N 3.31Å; S143-D145 PolarHBondContact OG-N 2.71Å; S143-D145 VanDerWaalsContact OG-N 3.16Å; D145-H147 VanDerWaalsContact C-N 3.29Å; D145-H147 PolarHBondContact O-N 3.38Å; D145-H147 PolarHBondContact OD1-N 2.74Å; D145-A148 HydrophobicContact CB-CB 4.01Å; D145-A148 PolarHBondContact O-N 3.17Å; D145-A148 PolarHBondContact OD1-N 3.5Å; D145-A148 WeakPolarHBondContact OD2-CB 3.43Å; D145-D149 PolarHBondContact O-N 2.91Å
146W95.6Very high92Very high15 Ų1553.3 Ų53.36%0.05731%0.308CS..Hα-helixtrans-60.3-38179.7178.592.2000112.6L40 Q41 L44 L115 Y116 N144 D149 I150L40-W146 HydrophobicContact CB-CH2 4.38Å; L40-W146 HydrophobicContact CD2-CH2 4.04Å; L40-W146 HydrophobicContact CD2-CZ3 4.42Å; L40-W146 HydrophobicContact CG-CH2 3.92Å; Q41-W146 HydrophobicContact CB-CH2 3.93Å; Q41-W146 HydrophobicContact CB-CZ2 4.41Å; Q41-W146 HydrophobicContact CB-CZ3 4.47Å; Q41-W146 HydrophobicContact CG-CH2 4.47Å; L44-W146 HydrophobicContact CD1-CH2 4.16Å; L44-W146 HydrophobicContact CD1-CZ2 3.6Å; L115-W146 PolarHBondContact O-NE1 2.95Å; Y116-W146 WeakPolarHBondContact O-CZ2 3.41Å; Y116-W146 PolarHBondContact O-NE1 3.35Å; N144-W146 PolarHBondContact O-N 3.04Å; W146-D149 PolarHBondContact O-N 3.48Å; W146-I150 HydrophobicContact CD2-CG1 4.05Å; W146-I150 HydrophobicContact CH2-CG1 4.43Å; W146-I150 HydrophobicContact CZ2-CG1 3.95Å; W146-I150 WeakPolarHBondContact O-CG1 3.47Å; W146-I150 PolarHBondContact O-N 3.45Å; W146-I150 VanDerWaalsContact O-N 3.08Å
147H94.7Very high91.4Very high122 Ų12254.8 Ų54.857%0.56532%0.318SS*.Hα-helixtrans-68.4-43.1-178.6-72.5-75.8000111.8D145 I150 A151D145-H147 VanDerWaalsContact C-N 3.29Å; D145-H147 PolarHBondContact O-N 3.38Å; D145-H147 PolarHBondContact OD1-N 2.74Å; H147-I150 PolarHBondContact O-N 2.9Å; H147-A151 VanDerWaalsContact O-CB 3.25Å; H147-A151 WeakPolarHBondContact O-CB 3.42Å; H147-A151 PolarHBondContact O-N 2.81Å
148A94.1Very high90.7Very high45 Ų4556.4 Ų56.437%0.37233%0.327SS..Hα-helixtrans-62.9-42.9176.900000111.9D145 A151 S152D145-A148 HydrophobicContact CB-CB 4.01Å; D145-A148 PolarHBondContact O-N 3.17Å; D145-A148 PolarHBondContact OD1-N 3.5Å; D145-A148 WeakPolarHBondContact OD2-CB 3.43Å; A148-A151 PolarHBondContact O-N 2.65Å; A148-S152 WeakPolarHBondContact O-CB 3.44Å; A148-S152 PolarHBondContact O-N 3.19Å
149D94.5Very high89.9Confident26 Ų2657.5 Ų57.514%0.13933%0.326CS..Hα-helixtrans-63.5-43.3179.3-75.515.7000112.1S74 R75 S143 D145 W146 S152S74-D149 PolarHBondContact OG-O 2.83Å; R75-D149 IonicContact CZ-OD2 3.57Å; R75-D149 VanDerWaalsContact NH1-CG 3.34Å; R75-D149 IonicContact NH1-OD2 3.5Å; R75-D149 PolarHBondContact NH1-OD2 3.26Å; S143-D149 WeakPolarHBondContact CB-OD2 3.5Å; S143-D149 PolarHBondContact OG-OD1 3.14Å; D145-D149 PolarHBondContact O-N 2.91Å; W146-D149 PolarHBondContact O-N 3.48Å; D149-S152 PolarHBondContact O-N 2.82Å; D149-S152 PolarHBondContact O-OG 3.45Å
150I95Very high89.2Confident0 Ų058 Ų580%033%0.325CS..Hα-helixtrans-70.9-39.2177.7-61.1-60.3000111.4L40 L44 I71 R75 W146 H147 S152 L153L40-I150 HydrophobicContact CD2-CG2 3.77Å; L44-I150 HydrophobicContact CD1-CD1 4.23Å; L44-I150 HydrophobicContact CD1-CG1 4.45Å; L44-I150 HydrophobicContact CD1-CG2 4.43Å; I71-I150 HydrophobicContact CD1-CD1 4.01Å; R75-I150 HydrophobicContact CG-CD1 4.3Å; W146-I150 HydrophobicContact CD2-CG1 4.05Å; W146-I150 HydrophobicContact CH2-CG1 4.43Å; W146-I150 HydrophobicContact CZ2-CG1 3.95Å; W146-I150 WeakPolarHBondContact O-CG1 3.47Å; W146-I150 PolarHBondContact O-N 3.45Å; W146-I150 VanDerWaalsContact O-N 3.08Å; H147-I150 PolarHBondContact O-N 2.9Å; I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 2.63Å; I150-L153 HydrophobicContact CD1-CD1 4.19Å; I150-L153 HydrophobicContact CG2-CD1 4.43Å; I150-L153 VanDerWaalsContact O-CB 3.27Å; I150-L153 WeakPolarHBondContact O-CB 3.44Å; I150-L153 PolarHBondContact O-N 3Å
151A92.9Very high88.7Confident26 Ų2658.3 Ų58.322%0.21533%0.327CS..Hα-helixtrans-63-35.1174.500000112.1H147 A148 L153 L154 H155H147-A151 VanDerWaalsContact O-CB 3.25Å; H147-A151 WeakPolarHBondContact O-CB 3.42Å; H147-A151 PolarHBondContact O-N 2.81Å; A148-A151 PolarHBondContact O-N 2.65Å; A151-L153 PolarHBondContact O-N 2.96Å; A151-L154 PolarHBondContact O-N 3.01Å; A151-L154 VanDerWaalsContact O-N 3.11Å; A151-H155 PolarHBondContact O-CD2 3.27Å; A151-H155 VanDerWaalsContact O-CD2 3.3Å; A151-H155 PolarHBondContact O-N 2.94Å
152S92Very high88.5Confident43 Ų4356.3 Ų56.330%0.30131%0.307SS..Hα-helixtrans-60.6-26.9177.778.80000113.1A148 D149 I150 L154 H155 E156A148-S152 WeakPolarHBondContact O-CB 3.44Å; A148-S152 PolarHBondContact O-N 3.19Å; D149-S152 PolarHBondContact O-N 2.82Å; D149-S152 PolarHBondContact O-OG 3.45Å; I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 2.63Å; S152-L154 PolarHBondContact O-N 3.16Å; S152-H155 PolarHBondContact O-N 3.33Å; S152-E156 CarbonylContact O-C 3.6Å; S152-E156 WeakPolarHBondContact O-CA 3.37Å; S152-E156 PolarHBondContact O-N 2.67Å
153L92.7Very high88.3Confident8 Ų857.3 Ų57.34%0.04231%0.311CS..Hα-helixtrans-57.5-34175.7-69.6171.5000112.5C70 I71 I150 A151 H210 I213 Y261C70-L153 HydrophobicContact CB-CD2 4.38Å; I71-L153 HydrophobicContact CD1-CD1 4.14Å; I150-L153 HydrophobicContact CD1-CD1 4.19Å; I150-L153 HydrophobicContact CG2-CD1 4.43Å; I150-L153 VanDerWaalsContact O-CB 3.27Å; I150-L153 WeakPolarHBondContact O-CB 3.44Å; I150-L153 PolarHBondContact O-N 3Å; A151-L153 PolarHBondContact O-N 2.96Å; L153-H210 PolarHBondContact O-CE1 2.78Å; L153-H210 VanDerWaalsContact O-CE1 3.3Å; L153-I213 HydrophobicContact CD1-CD1 3.79Å; L153-Y261 HydrophobicContact CB-CD1 3.82Å; L153-Y261 HydrophobicContact CB-CE1 3.68Å; L153-Y261 HydrophobicContact CD1-CE1 4.41Å
154L90.9Very high88.4Confident21 Ų2155.1 Ų55.111%0.1130%0.296CS..Hα-helixtrans-85.7-43178.3-179.865.8000112.3A151 S152 F257 D258 Y261A151-L154 PolarHBondContact O-N 3.01Å; A151-L154 VanDerWaalsContact O-N 3.11Å; S152-L154 PolarHBondContact O-N 3.16Å; L154-F257 HydrophobicContact CD1-CB 4.1Å; L154-F257 VanDerWaalsContact CD2-C 3.47Å; L154-F257 HydrophobicContact CD2-CB 4.2Å; L154-F257 WeakPolarHBondContact CD2-O 3.27Å; L154-D258 HydrophobicContact CD2-CB 4.45Å; L154-Y261 HydrophobicContact CB-CD1 4.04Å; L154-Y261 HydrophobicContact CB-CD2 3.88Å; L154-Y261 HydrophobicContact CB-CE1 4.46Å; L154-Y261 HydrophobicContact CB-CE2 4.33Å; L154-Y261 HydrophobicContact CB-CG 3.74Å; L154-Y261 HydrophobicContact CD1-CD2 4.08Å; L154-Y261 HydrophobicContact CD1-CE2 4.02Å; L154-Y261 HydrophobicContact CD2-CD2 4.05Å; L154-Y261 HydrophobicContact CD2-CG 4.41Å; L154-Y261 HydrophobicContact CG-CD2 4.22Å
155H87.6Confident88.5Confident123 Ų12349.6 Ų49.657%0.56927%0.265SS*.Hα-helixtrans-81.2-32.5-172.1-61.7-53.1000113.4A151 S152 P157 D258A151-H155 PolarHBondContact O-CD2 3.27Å; A151-H155 VanDerWaalsContact O-CD2 3.3Å; A151-H155 PolarHBondContact O-N 2.94Å; S152-H155 PolarHBondContact O-N 3.33Å; H155-P157 WeakPolarHBondContact O-CD 3.23Å; H155-D258 IonicContact CE1-OD1 3.26Å; H155-D258 IonicContact NE2-OD1 2.78Å
156E83.8Confident88.4Confident152 Ų15245.5 Ų45.571%0.7124%0.244SC*.SBendtrans-124.863178.2-62.4-176.6-17200109.5S152 N158S152-E156 CarbonylContact O-C 3.6Å; S152-E156 WeakPolarHBondContact O-CA 3.37Å; S152-E156 PolarHBondContact O-N 2.67Å; E156-N158 PolarHBondContact O-N 3.04Å; E156-N158 VanDerWaalsContact O-N 3.11Å
157P79.7Confident88.2Confident42 Ų4245.1 Ų45.127%0.27324%0.243SC..  trans-65.9118.6-176.327.5-33.1000109.6H155 D159 A162 L208H155-P157 WeakPolarHBondContact O-CD 3.23Å; P157-D159 PolarHBondContact O-N 2.96Å; P157-A162 HydrophobicContact CB-CB 4.49Å; P157-L208 HydrophobicContact CB-CB 3.92Å; P157-L208 HydrophobicContact CB-CD1 4.24Å; P157-L208 HydrophobicContact CG-CB 4.07Å; P157-L208 HydrophobicContact CG-CD1 4.03Å
158N79Confident87.9Confident57 Ų5739.4 Ų39.431%0.30522%0.217SC..  trans-62.7130.6166.3-72.9-35.3000108.6E156 D160 D161 A162E156-N158 PolarHBondContact O-N 3.04Å; E156-N158 VanDerWaalsContact O-N 3.11Å; N158-D160 PolarHBondContact O-N 3.37Å; N158-D160 VanDerWaalsContact O-N 3.1Å; N158-D161 HydrophobicContact CB-CB 4.06Å; N158-D161 WeakPolarHBondContact CB-OD2 3.38Å; N158-D161 PolarHBondContact ND2-OD2 3.46Å; N158-D161 PolarHBondContact O-N 2.94Å; N158-D161 VanDerWaalsContact O-N 3.09Å; N158-A162 PolarHBondContact O-N 3.29Å
159D73.5Confident87.5Confident108 Ų10839.4 Ų39.458%0.57821%0.212SC*.THydrogen-bonded Turntrans-59.3-26.5179.6-95-30.1000112.7P157 R238P157-D159 PolarHBondContact O-N 2.96Å; D159-R238 VanDerWaalsContact C-NH2 3.31Å; D159-R238 PolarHBondContact O-NH2 3.44Å; D159-R238 IonicContact OD1-CZ 3.52Å; D159-R238 IonicContact OD1-NH1 2.62Å; D159-R238 IonicContact OD1-NH2 2.79Å; D159-R238 PolarHBondContact OD1-NH2 3.16Å
160D77.5Confident86.7Confident91 Ų9144.4 Ų44.449%0.48723%0.229SC..THydrogen-bonded Turntrans-85.4-22.5-180-60-33.7000113.2N158N158-D160 PolarHBondContact O-N 3.37Å; N158-D160 VanDerWaalsContact O-N 3.1Å
161D82.3Confident85Confident9 Ų950.1 Ų50.15%0.04826%0.259CS..THydrogen-bonded Turntrans-93.4-30.3-174.1-65.1-36.2000113.2C70 N73 N158 D163 H210C70-D161 HydrophobicContact CB-CB 4.21Å; N73-D161 PolarHBondContact ND2-OD1 2.95Å; N158-D161 HydrophobicContact CB-CB 4.06Å; N158-D161 WeakPolarHBondContact CB-OD2 3.38Å; N158-D161 PolarHBondContact ND2-OD2 3.46Å; N158-D161 PolarHBondContact O-N 2.94Å; N158-D161 VanDerWaalsContact O-N 3.09Å; D161-D163 PolarHBondContact O-N 2.91Å; D161-H210 PolarHBondContact O-CD2 2.89Å; D161-H210 VanDerWaalsContact O-CD2 3.25Å
162A88Confident83.1Confident2 Ų252.9 Ų52.92%0.01727%0.274CS..  trans-77.4104.6179.400000111.2P157 N158 L208 R238P157-A162 HydrophobicContact CB-CB 4.49Å; N158-A162 PolarHBondContact O-N 3.29Å; A162-L208 HydrophobicContact CB-CB 3.83Å; A162-R238 WeakPolarHBondContact O-CD 3.33Å; A162-R238 WeakPolarHBondContact O-CG 3.35Å; A162-R238 PolarHBondContact O-NE 2.73Å
163D88.7Confident80.6Confident33 Ų3359.5 Ų59.518%0.17630%0.297CS..  trans-91.6-7.4-177.168.3-21.9000113.8D161 C209 H210 S211 R238 V239D161-D163 PolarHBondContact O-N 2.91Å; D163-C209 PolarHBondContact N-O 2.81Å; D163-H210 WeakPolarHBondContact OD1-CA 3.34Å; D163-S211 PolarHBondContact OD1-N 3.46Å; D163-S211 WeakPolarHBondContact OD2-CB 3.32Å; D163-S211 PolarHBondContact OD2-OG 2.83Å; D163-R238 CarbonylContact O-C 3.59Å; D163-R238 WeakPolarHBondContact O-CA 3.48Å; D163-V239 PolarHBondContact O-N 3.33Å
164I91.2Very high77.9Confident1 Ų163.8 Ų63.81%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-118.6135.2176.1-64.5-178.6000111.1I166 C209 L214 I225 V239 I241I164-I166 HydrophobicContact CG2-CG1 3.8Å; I164-C209 HydrophobicContact CB-CB 4.34Å; I164-C209 HydrophobicContact CG2-CB 4.43Å; I164-C209 PolarHBondContact N-O 3.44Å; I164-C209 PolarHBondContact O-N 3.39Å; I164-L214 HydrophobicContact CD1-CD1 4.1Å; I164-L214 HydrophobicContact CG2-CD1 4.45Å; I164-I225 HydrophobicContact CD1-CD1 3.45Å; I164-I225 VanDerWaalsContact CD1-CD1 3.45Å; I164-I225 HydrophobicContact CD1-CG1 3.59Å; I164-V239 WeakPolarHBondContact CA-O 3.47Å; I164-I241 HydrophobicContact CD1-CD1 4.22Å; I164-I241 HydrophobicContact CG2-CD1 3.84Å; I164-I241 HydrophobicContact CG2-CG1 4.09Å
165E90.9Very high75.1Confident32 Ų3268.9 Ų68.915%0.1535%0.352CS..EExtended strand (participates in β ladder)trans-115.6111.2166.9-174.6-172.816900109.2V167 Y207 L208 V239 K240 I241E165-V167 HydrophobicContact CG-CG2 4.03Å; E165-Y207 WeakPolarHBondContact CA-O 3.41Å; E165-L208 HydrophobicContact CB-CD2 4.34Å; E165-L208 HydrophobicContact CG-CD2 4.25Å; E165-V239 PolarHBondContact N-O 3.14Å; E165-K240 HydrophobicContact CB-CG 4.37Å; E165-K240 CarbonylContact O-C 3.6Å; E165-K240 WeakPolarHBondContact O-CA 3.28Å; E165-K240 IonicContact OE1-NZ 3.93Å; E165-K240 PolarHBondContact OE1-NZ 3.38Å; E165-K240 WeakPolarHBondContact OE2-CE 3.47Å; E165-K240 IonicContact OE2-NZ 2.67Å; E165-K240 PolarHBondContact OE2-NZ 2.89Å; E165-I241 PolarHBondContact O-N 3.47Å
166I92.2Very high72.4Confident0 Ų067 Ų670%035%0.353CS..EExtended strand (participates in β ladder)trans-88.9122.1175.1-61.6-178.9000108.5I164 F168 T206 Y207 C209 L214 F221 I241 L243 F257I164-I166 HydrophobicContact CG2-CG1 3.8Å; I166-F168 HydrophobicContact CG2-CD2 4.47Å; I166-F168 HydrophobicContact CG2-CE2 3.98Å; I166-F168 HydrophobicContact CG2-CZ 4.36Å; I166-T206 CarbonylContact O-C 3.6Å; I166-T206 VanDerWaalsContact O-CA 3.24Å; I166-T206 WeakPolarHBondContact O-CA 3.42Å; I166-Y207 PolarHBondContact N-O 3.42Å; I166-Y207 PolarHBondContact O-N 3.24Å; I166-C209 HydrophobicContact CD1-CB 4.42Å; I166-L214 HydrophobicContact CD1-CD1 3.84Å; I166-F221 HydrophobicContact CD1-CE1 4.25Å; I166-F221 HydrophobicContact CD1-CZ 4.46Å; I166-I241 CarbonylContact C-O 3.54Å; I166-I241 WeakPolarHBondContact CA-O 3.38Å; I166-I241 HydrophobicContact CG1-CB 4.39Å; I166-L243 HydrophobicContact CG2-CD1 3.42Å; I166-L243 VanDerWaalsContact CG2-CD1 3.42Å; I166-L243 HydrophobicContact CG2-CG 3.87Å; I166-F257 HydrophobicContact CB-CZ 4.43Å; I166-F257 HydrophobicContact CD1-CD1 4.26Å; I166-F257 HydrophobicContact CD1-CE1 3.24Å; I166-F257 HydrophobicContact CD1-CE2 4.27Å; I166-F257 HydrophobicContact CD1-CZ 3.27Å; I166-F257 HydrophobicContact CG1-CZ 4.41Å; I166-F257 HydrophobicContact CG2-CE2 4.41Å; I166-F257 HydrophobicContact CG2-CZ 4.01Å
167V90.5Very high70Confident7 Ų768.1 Ų68.14%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-117.5117-178-174.50000108.9E165 T169 T206 I241 F242 L243E165-V167 HydrophobicContact CG-CG2 4.03Å; V167-T169 HydrophobicContact CG1-CG2 4.26Å; V167-T206 HydrophobicContact CG1-CG2 4.45Å; V167-T206 HydrophobicContact CG2-CG2 4.11Å; V167-I241 PolarHBondContact N-O 2.84Å; V167-F242 HydrophobicContact CB-CD1 3.73Å; V167-F242 HydrophobicContact CB-CE1 3.92Å; V167-F242 HydrophobicContact CG1-CD1 3.97Å; V167-F242 HydrophobicContact CG1-CE1 3.99Å; V167-F242 HydrophobicContact CG2-CD1 4.41Å; V167-F242 HydrophobicContact CG2-CE1 4.19Å; V167-F242 WeakPolarHBondContact O-CA 3.46Å; V167-L243 PolarHBondContact O-N 3.03Å
168F89.9Confident67.6Low2 Ų273.1 Ų73.11%0.00938%0.376CS..EExtended strand (participates in β ladder)trans-75.8130.7171.8-70.7-90000110I166 Q205 Y207 L243 E245 I248 R250 A253 F257I166-F168 HydrophobicContact CG2-CD2 4.47Å; I166-F168 HydrophobicContact CG2-CE2 3.98Å; I166-F168 HydrophobicContact CG2-CZ 4.36Å; F168-Q205 PolarHBondContact N-O 3.27Å; F168-Y207 HydrophobicContact CD2-CD2 4.27Å; F168-Y207 HydrophobicContact CD2-CE2 4.44Å; F168-Y207 AromaticContact CE2-CD2 3.73Å; F168-Y207 HydrophobicContact CE2-CD2 3.73Å; F168-Y207 AromaticContact CE2-CE2 3.93Å; F168-Y207 HydrophobicContact CE2-CE2 3.93Å; F168-L243 HydrophobicContact CD1-CB 4.18Å; F168-L243 HydrophobicContact CE1-CB 4.16Å; F168-L243 HydrophobicContact CE1-CD1 4.03Å; F168-L243 HydrophobicContact CZ-CD1 3.98Å; F168-E245 HydrophobicContact CB-CG 4.03Å; F168-E245 HydrophobicContact CD1-CG 4.46Å; F168-I248 HydrophobicContact CE1-CB 4.29Å; F168-I248 HydrophobicContact CE1-CG2 3.91Å; F168-I248 WeakPolarHBondContact CE1-O 3.3Å; F168-I248 HydrophobicContact CZ-CG2 4.5Å; F168-R250 HydrophobicContact CB-CB 4.08Å; F168-R250 HydrophobicContact CD1-CB 3.92Å; F168-R250 HydrophobicContact CD2-CB 4.39Å; F168-R250 HydrophobicContact CE1-CB 4.49Å; F168-R250 HydrophobicContact CG-CB 3.85Å; F168-A253 HydrophobicContact CE1-CB 4.41Å; F168-A253 HydrophobicContact CE2-CB 3.62Å; F168-A253 HydrophobicContact CZ-CB 3.5Å; F168-F257 AromaticContact CE2-CE2 3.97Å; F168-F257 HydrophobicContact CE2-CE2 3.97Å; F168-F257 AromaticContact CZ-CE2 3.88Å; F168-F257 HydrophobicContact CZ-CE2 3.88Å; F168-F257 HydrophobicContact CZ-CZ 4.41Å
169T85.3Confident65.2Low45 Ų4577.1 Ų77.128%0.27640%0.397SS..EExtended strand (participates in β ladder)trans-127.4138.4-178.657.30000109.8V167 F242 L243 D244 E245V167-T169 HydrophobicContact CG1-CG2 4.26Å; T169-F242 HydrophobicContact CG2-CB 4.27Å; T169-F242 HydrophobicContact CG2-CD1 3.58Å; T169-F242 HydrophobicContact CG2-CE1 4.43Å; T169-F242 HydrophobicContact CG2-CG 4.35Å; T169-L243 PolarHBondContact N-O 3.01Å; T169-L243 PolarHBondContact OG1-O 3.22Å; T169-L243 VanDerWaalsContact OG1-O 3.06Å; T169-D244 CarbonylContact O-C 3.32Å; T169-D244 WeakPolarHBondContact O-CA 3.45Å; T169-E245 PolarHBondContact O-N 2.8Å
170R76.6Confident63.2Low130 Ų13077.7 Ų77.749%0.49140%0.404SS..  trans-104.4130.5169.3-166.6179.3-178.6109.3-3108.4T172 E245R170-T172 HydrophobicContact CB-CG2 4.42Å; R170-T172 HydrophobicContact CG-CG2 4.24Å; R170-T172 PolarHBondContact O-N 2.96Å; R170-E245 IonicContact NH1-OE2 3.7Å
171N59.7Low60.9Low120 Ų12077.9 Ų77.964%0.64241%0.412SS*.  trans-69.977.7165.7-163.73.3000109.3K173N171-K173 PolarHBondContact O-N 3.03Å
172T53.5Low58.5Low84 Ų8482.2 Ų82.252%0.51544%0.444SS..  trans-72.189.5165.650.60000107R170 C174R170-T172 HydrophobicContact CB-CG2 4.42Å; R170-T172 HydrophobicContact CG-CG2 4.24Å; R170-T172 PolarHBondContact O-N 2.96Å; T172-C174 PolarHBondContact O-N 3.27Å
173K39.9Very low55.9Low183 Ų18388.5 Ų88.580%0.79648%0.482SS*.  trans-63.168.6138.9-67.9-176.7-176.5176.30106.2N171 I175N171-K173 PolarHBondContact O-N 3.03Å; K173-I175 PolarHBondContact O-N 3.05Å
174C35.9Very low53.4Low97 Ų9794.1 Ų94.166%0.65551%0.512SS*.  trans-54.6108.8156.3-79.60000102.8T172 S176T172-C174 PolarHBondContact O-N 3.27Å; C174-S176 PolarHBondContact O-N 3.31Å
175I32.1Very low50.6Low128 Ų128100.8 Ų100.866%0.65655%0.548SS*.  trans-43.4106.2160.3-64.3165.5000103.3K173 F177K173-I175 PolarHBondContact O-N 3.05Å; I175-F177 HydrophobicContact CB-CD2 4.41Å; I175-F177 HydrophobicContact CB-CE2 4.29Å; I175-F177 HydrophobicContact CG2-CD2 4.04Å; I175-F177 HydrophobicContact CG2-CE2 4.02Å; I175-F177 HydrophobicContact CG2-CG 4.39Å; I175-F177 HydrophobicContact CG2-CZ 4.35Å; I175-F177 PolarHBondContact O-N 2.96Å
176S30.1Very low48.3Very low83 Ų83105 Ų10558%0.5858%0.575SS**  trans-56.4101.4161.135.80000103C174 E178C174-S176 PolarHBondContact O-N 3.31Å; S176-E178 PolarHBondContact O-N 3.33Å
177F33.2Very low45.7Very low177 Ų177111.2 Ų111.278%0.77661%0.613SS**  trans-69.356.4153.6-76.2-85.1000106.8I175I175-F177 HydrophobicContact CB-CD2 4.41Å; I175-F177 HydrophobicContact CB-CE2 4.29Å; I175-F177 HydrophobicContact CG2-CD2 4.04Å; I175-F177 HydrophobicContact CG2-CE2 4.02Å; I175-F177 HydrophobicContact CG2-CG 4.39Å; I175-F177 HydrophobicContact CG2-CZ 4.35Å; I175-F177 PolarHBondContact O-N 2.96Å
178E30.1Very low43.2Very low147 Ų147114.8 Ų114.869%0.68764%0.639SS**  trans-73.3125.8146.1-75.6178.4167.300104.1S176S176-E178 PolarHBondContact O-N 3.33Å
179N28.9Very low40.5Very low141 Ų141122.5 Ų122.575%0.75467%0.672SS**  trans85.764.8173.2-42.9-28.5000115.9
180V30.4Very low38Very low119 Ų119129.2 Ų129.272%0.72169%0.694SS**  trans-121.384.1130.2-173.40000108.1
181S29.4Very low36.1Very low95 Ų95126.4 Ų126.466%0.66470%0.698SS**  trans-52.2140.5151.5-37.30000108.1
182S32.6Very low35.2Very low101 Ų101124.8 Ų124.871%0.70670%0.697SS**  trans64117172.846.10000114.9
183T33.5Very low34.6Very low133 Ų133127.2 Ų127.282%0.81671%0.706SS**  cis-161154.440.543.80000111.3D185T183-D185 PolarHBondContact O-N 2.88Å
184N34.8Very low34.1Very low152 Ų152128.3 Ų128.381%0.81371%0.705SS**  trans-19.5109.9171.3-64-19.7000117.6
185D33.9Very low34Very low141 Ų141131.9 Ų131.975%0.75471%0.706SS**  trans-152.1113.8139.6-125-19.2000109.7T183 T187T183-D185 PolarHBondContact O-N 2.88Å; D185-T187 VanDerWaalsContact C-N 3.31Å; D185-T187 PolarHBondContact O-N 3.26Å
186V42Very low34.1Very low120 Ų120127.4 Ų127.473%0.72769%0.691SS**THydrogen-bonded Turntrans-84.9-0.4-161.8178.80000112.9
187T37.3Very low34.4Very low130 Ų130130.9 Ų130.980%0.79870%0.698SS**THydrogen-bonded Turntrans-97.6-6.3-168.832.40000116.5D185D185-T187 VanDerWaalsContact C-N 3.31Å; D185-T187 PolarHBondContact O-N 3.26Å
188S39.1Very low34.7Very low83 Ų83125.6 Ų125.658%0.5869%0.687SS**SBendtrans-99.6-9.117877.50000115.6Y190S188-Y190 PolarHBondContact O-N 3.47Å
189K31.5Very low34.8Very low164 Ų164121 Ų12171%0.71367%0.67SS**Hα-helixtrans-70.9-27.9-169.6-138174.1-172.5176.60114.8
190Y34.2Very low35.5Very low186 Ų186121.4 Ų121.473%0.72967%0.666SS**Hα-helixtrans-87.7-18.3-177.3-69-79.5000114.2S188S188-Y190 PolarHBondContact O-N 3.47Å
191A36Very low36Very low70 Ų70124.6 Ų124.658%0.57967%0.67SS**Hα-helixtrans-80.6-38.417800000112L193 Y195A191-L193 PolarHBondContact O-N 3.12Å; A191-Y195 PolarHBondContact O-N 2.62Å
192S41Very low36.8Very low87 Ų87123.9 Ų123.961%0.60867%0.669SS**Hα-helixtrans-71.7-29.7-175.5-66.90000115G196S192-G196 PolarHBondContact O-N 3.16Å; S192-G196 VanDerWaalsContact O-N 3.11Å
193L41Very low37.7Very low134 Ų134122.1 Ų122.170%0.70265%0.652SS**Hα-helixtrans-72.4-35.1-179.8-93.4129.6000113.2A191A191-L193 PolarHBondContact O-N 3.12Å
194R30.3Very low38.9Very low207 Ų207124.2 Ų124.278%0.78165%0.645SS**Hα-helixtrans-79.5-27.7175.5-71.1-162-106.6-153.9-1.8112.7
195Y33.6Very low40.7Very low172 Ų172118.8 Ų118.868%0.67562%0.615SS**Hα-helixtrans-70.7-36.4174.6-142.5-102.8000112A191 Q197 C199A191-Y195 PolarHBondContact O-N 2.62Å; Y195-Q197 PolarHBondContact O-N 2.9Å; Y195-C199 WeakPolarHBondContact O-CB 3.27Å; Y195-C199 PolarHBondContact O-N 3.11Å
196G32.7Very low43.2Very low34 Ų34115.5 Ų115.535%0.35160%0.6SS.*Hα-helixtrans-67.7-30.8-176.100000116.3S192 K200S192-G196 PolarHBondContact O-N 3.16Å; S192-G196 VanDerWaalsContact O-N 3.11Å; G196-K200 VanDerWaalsContact O-CG 3.22Å; G196-K200 WeakPolarHBondContact O-CG 3.35Å; G196-K200 PolarHBondContact O-N 2.76Å
197Q36.6Very low45.4Very low156 Ų156111.3 Ų111.373%0.72957%0.571SS**Hα-helixtrans-88.9-36.9177.9-86.3179.4-22.100113.1Y195 K200 K201Y195-Q197 PolarHBondContact O-N 2.9Å; Q197-K200 PolarHBondContact O-N 3.32Å; Q197-K201 PolarHBondContact O-N 2.96Å
198A39.4Very low48Very low65 Ų65106.8 Ų106.854%0.53754%0.542SS..Hα-helixtrans-66-40173.300000111.1K201 A202A198-K201 PolarHBondContact O-N 3.46Å; A198-A202 VanDerWaalsContact O-CB 3.24Å; A198-A202 WeakPolarHBondContact O-CB 3.42Å; A198-A202 PolarHBondContact O-N 2.95Å
199C33.8Very low50.6Low50 Ų50102.8 Ų102.834%0.33851%0.514SS..Hα-helixtrans-62.7-42.7173.1-168.80000111.4Y195 K201 A202 L203Y195-C199 WeakPolarHBondContact O-CB 3.27Å; Y195-C199 PolarHBondContact O-N 3.11Å; C199-K201 PolarHBondContact O-N 3.04Å; C199-A202 PolarHBondContact O-N 3.37Å; C199-L203 HydrophobicContact CB-CD1 4.47Å; C199-L203 WeakPolarHBondContact O-CB 3.11Å; C199-L203 VanDerWaalsContact O-CD1 3.3Å; C199-L203 WeakPolarHBondContact O-CD1 3.38Å; C199-L203 WeakPolarHBondContact O-CG 3.42Å; C199-L203 PolarHBondContact O-N 3.18Å; C199-L203 WeakPolarHBondContact SG-CD1 3.47Å
200K42.6Very low53.6Low151 Ų15195.1 Ų95.166%0.65748%0.48SS*.Hα-helixtrans-63.1-33.2178.5-80.2176.6-176.3-175.10115.1G196 Q197G196-K200 VanDerWaalsContact O-CG 3.22Å; G196-K200 WeakPolarHBondContact O-CG 3.35Å; G196-K200 PolarHBondContact O-N 2.76Å; Q197-K200 PolarHBondContact O-N 3.32Å
201K41.3Very low56.4Low185 Ų18586.5 Ų86.580%0.80445%0.447SS*.Hα-helixtrans-82.4-36.6174.4-82.8-172.8175.7-175.40112.4Q197 A198 C199 L203Q197-K201 PolarHBondContact O-N 2.96Å; A198-K201 PolarHBondContact O-N 3.46Å; C199-K201 PolarHBondContact O-N 3.04Å; K201-L203 PolarHBondContact O-N 3.04Å
202A46.4Very low59.1Low80 Ų8083.3 Ų83.366%0.66142%0.421SS*.Hα-helixtrans-69.7-19.6174.700000113.4A198 C199A198-A202 VanDerWaalsContact O-CB 3.24Å; A198-A202 WeakPolarHBondContact O-CB 3.42Å; A198-A202 PolarHBondContact O-N 2.95Å; C199-A202 PolarHBondContact O-N 3.37Å
203L50.8Low61.7Low64 Ų6479.2 Ų79.234%0.33539%0.392SS..THydrogen-bonded Turntrans-88.9-11.3-178.5-78.8169.5000114.9C199 K201C199-L203 HydrophobicContact CB-CD1 4.47Å; C199-L203 WeakPolarHBondContact O-CB 3.11Å; C199-L203 VanDerWaalsContact O-CD1 3.3Å; C199-L203 WeakPolarHBondContact O-CD1 3.38Å; C199-L203 WeakPolarHBondContact O-CG 3.42Å; C199-L203 PolarHBondContact O-N 3.18Å; C199-L203 WeakPolarHBondContact SG-CD1 3.47Å; K201-L203 PolarHBondContact O-N 3.04Å
204R59.7Low64.3Low178 Ų17872.8 Ų72.867%0.67236%0.359SS*.  trans-105.692.8-179.2-74-175.3174.5178.9-2.7109.3
205Q71.8Confident67.3Low38 Ų3863 Ų6318%0.17832%0.322CS..  trans-81.5126.1166.6-163.5167.89.100108.3F168 Y207 E271F168-Q205 PolarHBondContact N-O 3.27Å; Q205-Y207 HydrophobicContact CG-CD2 4.27Å; Q205-Y207 HydrophobicContact CG-CE2 3.62Å; Q205-Y207 PolarHBondContact NE2-OH 2.78Å; Q205-E271 PolarHBondContact NE2-OE1 2.98Å; Q205-E271 PolarHBondContact NE2-OE2 3.09Å
206T85.6Confident70.2Confident72 Ų7255.2 Ų55.244%0.44229%0.293SS..EExtended strand (participates in β ladder)trans-117.7129.4179.855.80000109I166 V167I166-T206 CarbonylContact O-C 3.6Å; I166-T206 VanDerWaalsContact O-CA 3.24Å; I166-T206 WeakPolarHBondContact O-CA 3.42Å; V167-T206 HydrophobicContact CG1-CG2 4.45Å; V167-T206 HydrophobicContact CG2-CG2 4.11Å
207Y89.3Confident73.2Confident32 Ų3254 Ų5413%0.12528%0.277CS..EExtended strand (participates in β ladder)trans-107.6130.8172.7-75.7-98.8000109.4E165 I166 F168 Q205 A253 P254 F257E165-Y207 WeakPolarHBondContact CA-O 3.41Å; I166-Y207 PolarHBondContact N-O 3.42Å; I166-Y207 PolarHBondContact O-N 3.24Å; F168-Y207 HydrophobicContact CD2-CD2 4.27Å; F168-Y207 HydrophobicContact CD2-CE2 4.44Å; F168-Y207 AromaticContact CE2-CD2 3.73Å; F168-Y207 HydrophobicContact CE2-CD2 3.73Å; F168-Y207 AromaticContact CE2-CE2 3.93Å; F168-Y207 HydrophobicContact CE2-CE2 3.93Å; Q205-Y207 HydrophobicContact CG-CD2 4.27Å; Q205-Y207 HydrophobicContact CG-CE2 3.62Å; Q205-Y207 PolarHBondContact NE2-OH 2.78Å; Y207-A253 HydrophobicContact CD2-CB 4.18Å; Y207-A253 HydrophobicContact CE1-CB 4.49Å; Y207-A253 HydrophobicContact CE2-CB 3.36Å; Y207-P254 WeakPolarHBondContact OH-CD 3.35Å; Y207-P254 VanDerWaalsContact OH-CG 3.29Å; Y207-P254 WeakPolarHBondContact OH-CG 3.35Å; Y207-F257 HydrophobicContact CD1-CB 4.34Å; Y207-F257 AromaticContact CD1-CD2 3.63Å; Y207-F257 HydrophobicContact CD1-CD2 3.63Å; Y207-F257 HydrophobicContact CD1-CE2 4.38Å; Y207-F257 HydrophobicContact CD1-CG 4.24Å; Y207-F257 HydrophobicContact CD2-CD2 4.09Å; Y207-F257 HydrophobicContact CD2-CE2 4.07Å; Y207-F257 AromaticContact CE1-CD2 3.97Å; Y207-F257 HydrophobicContact CE1-CD2 3.97Å; Y207-F257 HydrophobicContact CE2-CD2 4.37Å; Y207-F257 AromaticContact CG-CD2 3.69Å; Y207-F257 HydrophobicContact CG-CD2 3.69Å; Y207-F257 AromaticContact CG-CE2 3.97Å; Y207-F257 HydrophobicContact CG-CE2 3.97Å
208L91.9Very high76.1Confident34 Ų3446.5 Ų46.518%0.17824%0.243CC..EExtended strand (participates in β ladder)trans-89.9122.8170.8-62.7-175.6000107.8P157 A162 E165P157-L208 HydrophobicContact CB-CB 3.92Å; P157-L208 HydrophobicContact CB-CD1 4.24Å; P157-L208 HydrophobicContact CG-CB 4.07Å; P157-L208 HydrophobicContact CG-CD1 4.03Å; A162-L208 HydrophobicContact CB-CB 3.83Å; E165-L208 HydrophobicContact CB-CD2 4.34Å; E165-L208 HydrophobicContact CG-CD2 4.25Å
209C93.6Very high78.7Confident0 Ų046.7 Ų46.70%024%0.238CC..EExtended strand (participates in β ladder)trans-137.1174.4-175-58.50000110.5D163 I164 I166 L214D163-C209 PolarHBondContact N-O 2.81Å; I164-C209 HydrophobicContact CB-CB 4.34Å; I164-C209 HydrophobicContact CG2-CB 4.43Å; I164-C209 PolarHBondContact N-O 3.44Å; I164-C209 PolarHBondContact O-N 3.39Å; I166-C209 HydrophobicContact CD1-CB 4.42Å; C209-L214 HydrophobicContact CB-CD1 3.7Å; C209-L214 HydrophobicContact CB-CG 4.23Å
210H93.8Very high81.6Confident2 Ų246.7 Ų46.71%0.00923%0.232CC..  trans-119.5124.6-174.4-57.983.7000109.6C70 L153 D161 D163 A212 I213 L214 Y261C70-H210 WeakPolarHBondContact CB-CD2 3.14Å; L153-H210 PolarHBondContact O-CE1 2.78Å; L153-H210 VanDerWaalsContact O-CE1 3.3Å; D161-H210 PolarHBondContact O-CD2 2.89Å; D161-H210 VanDerWaalsContact O-CD2 3.25Å; D163-H210 WeakPolarHBondContact OD1-CA 3.34Å; H210-A212 VanDerWaalsContact C-N 3.28Å; H210-A212 PolarHBondContact O-N 2.78Å; H210-I213 HydrophobicContact CB-CB 4.44Å; H210-I213 HydrophobicContact CB-CD1 4.26Å; H210-I213 HydrophobicContact CB-CG1 4.43Å; H210-I213 PolarHBondContact O-N 3.12Å; H210-L214 PolarHBondContact O-N 3.49Å; H210-L214 VanDerWaalsContact O-N 3.09Å; H210-Y261 VanDerWaalsContact CB-OH 3.31Å; H210-Y261 WeakPolarHBondContact CB-OH 3.24Å; H210-Y261 PolarHBondContact N-OH 3.17Å; H210-Y261 AromaticContact ND1-CE1 3.49Å; H210-Y261 WeakPolarHBondContact ND1-CE1 3.16Å; H210-Y261 AromaticContact ND1-CZ 3.54Å; H210-Y261 PolarHBondContact ND1-OH 3.43Å
211S92.9Very high84.1Confident5 Ų539.5 Ų39.54%0.03520%0.201CC..Hα-helixtrans-58.4-40.4-177.768.20000112.7D163 I213 L214 A215D163-S211 PolarHBondContact OD1-N 3.46Å; D163-S211 WeakPolarHBondContact OD2-CB 3.32Å; D163-S211 PolarHBondContact OD2-OG 2.83Å; S211-I213 VanDerWaalsContact C-N 3.33Å; S211-I213 PolarHBondContact O-N 2.85Å; S211-L214 PolarHBondContact O-N 3.48Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 3.16Å
212A92.8Very high86.6Confident3 Ų336 Ų363%0.02518%0.183CC..Hα-helixtrans-56.9-44.8178.200000112.6L47 H68 H210 T216L47-A212 HydrophobicContact CD1-CB 4.02Å; L47-A212 HydrophobicContact CD2-CB 3.93Å; H68-A212 HydrophobicContact CB-CB 4.41Å; H68-A212 VanDerWaalsContact CD2-CB 3.45Å; H68-A212 WeakPolarHBondContact CD2-CB 3.42Å; H210-A212 VanDerWaalsContact C-N 3.28Å; H210-A212 PolarHBondContact O-N 2.78Å; A212-T216 WeakPolarHBondContact O-CB 3.28Å; A212-T216 PolarHBondContact O-N 3Å; A212-T216 PolarHBondContact O-OG1 2.7Å
213I95.4Very high88.7Confident1 Ų135.5 Ų35.51%0.00517%0.174CC..Hα-helixtrans-73-52.1-178.4-67.6171.7000109.8L44 I71 L153 H210 S211 A215 T216 R217 F260 Y261L44-I213 HydrophobicContact CD2-CG1 4.27Å; I71-I213 HydrophobicContact CD1-CD1 4.37Å; L153-I213 HydrophobicContact CD1-CD1 3.79Å; H210-I213 HydrophobicContact CB-CB 4.44Å; H210-I213 HydrophobicContact CB-CD1 4.26Å; H210-I213 HydrophobicContact CB-CG1 4.43Å; H210-I213 PolarHBondContact O-N 3.12Å; S211-I213 VanDerWaalsContact C-N 3.33Å; S211-I213 PolarHBondContact O-N 2.85Å; I213-A215 PolarHBondContact O-N 3.32Å; I213-T216 PolarHBondContact O-N 2.78Å; I213-R217 HydrophobicContact CG2-CG 4.21Å; I213-R217 VanDerWaalsContact O-CB 3.3Å; I213-R217 WeakPolarHBondContact O-CB 3.48Å; I213-R217 WeakPolarHBondContact O-CG 3.21Å; I213-R217 PolarHBondContact O-N 2.98Å; I213-F260 HydrophobicContact CG2-CB 4.46Å; I213-F260 WeakPolarHBondContact CG2-O 3.44Å; I213-Y261 HydrophobicContact CB-CE1 4.41Å; I213-Y261 HydrophobicContact CD1-CD1 3.66Å; I213-Y261 HydrophobicContact CD1-CE1 3.19Å; I213-Y261 HydrophobicContact CG1-CE1 4.35Å; I213-Y261 HydrophobicContact CG2-CD1 4.46Å; I213-Y261 HydrophobicContact CG2-CD2 4.44Å; I213-Y261 HydrophobicContact CG2-CE1 4.25Å; I213-Y261 HydrophobicContact CG2-CE2 4.23Å
214L95.6Very high90.6Very high0 Ų034.2 Ų34.20%017%0.168CC..Hα-helixtrans-61.7-42.1-179.2-62.8-174.4000112.4I164 I166 C209 H210 S211 T216 S218 F221 I225 F257 F260I164-L214 HydrophobicContact CD1-CD1 4.1Å; I164-L214 HydrophobicContact CG2-CD1 4.45Å; I166-L214 HydrophobicContact CD1-CD1 3.84Å; C209-L214 HydrophobicContact CB-CD1 3.7Å; C209-L214 HydrophobicContact CB-CG 4.23Å; H210-L214 PolarHBondContact O-N 3.49Å; H210-L214 VanDerWaalsContact O-N 3.09Å; S211-L214 PolarHBondContact O-N 3.48Å; L214-T216 VanDerWaalsContact C-N 3.34Å; L214-T216 PolarHBondContact O-N 3.27Å; L214-S218 PolarHBondContact O-N 3.36Å; L214-F221 HydrophobicContact CB-CB 3.92Å; L214-F221 HydrophobicContact CB-CD2 4.5Å; L214-F221 HydrophobicContact CB-CG 4.18Å; L214-F221 HydrophobicContact CD1-CD1 4.38Å; L214-I225 HydrophobicContact CB-CD1 4.1Å; L214-F257 HydrophobicContact CD2-CD1 4.4Å; L214-F257 HydrophobicContact CD2-CE1 4.46Å; L214-F260 HydrophobicContact CD2-CB 4.07Å; L214-F260 HydrophobicContact CD2-CD1 3.53Å; L214-F260 HydrophobicContact CD2-CD2 3.87Å; L214-F260 HydrophobicContact CD2-CE1 3.88Å; L214-F260 HydrophobicContact CD2-CE2 4.2Å; L214-F260 HydrophobicContact CD2-CG 3.55Å; L214-F260 HydrophobicContact CD2-CZ 4.22Å
215A94.1Very high92.1Very high2 Ų225.8 Ų25.82%0.01714%0.136CC..Hα-helixtrans-69.3-30.2-178.400000113.3V53 S211 I213 R222 I225V53-A215 HydrophobicContact CG2-CB 4.1Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 3.16Å; I213-A215 PolarHBondContact O-N 3.32Å; A215-R222 HydrophobicContact CB-CB 3.98Å; A215-R222 HydrophobicContact CB-CG 4.1Å; A215-R222 WeakPolarHBondContact O-CB 3.36Å; A215-I225 HydrophobicContact CB-CD1 3.99Å
216T94.9Very high92.9Very high8 Ų828 Ų285%0.04915%0.152CC..Hα-helixtrans-82.9-38179.5-53.10000111.8D43 R46 L47 A212 I213 L214D43-T216 HydrophobicContact CB-CG2 3.94Å; D43-T216 VanDerWaalsContact O-CG2 3.25Å; D43-T216 WeakPolarHBondContact O-CG2 3.24Å; R46-T216 PolarHBondContact NH2-O 3.3Å; R46-T216 VanDerWaalsContact NH2-O 3.14Å; L47-T216 HydrophobicContact CB-CG2 4.13Å; L47-T216 VanDerWaalsContact CD1-OG1 3.3Å; L47-T216 WeakPolarHBondContact CD1-OG1 2.97Å; A212-T216 WeakPolarHBondContact O-CB 3.28Å; A212-T216 PolarHBondContact O-N 3Å; A212-T216 PolarHBondContact O-OG1 2.7Å; I213-T216 PolarHBondContact O-N 2.78Å; L214-T216 VanDerWaalsContact C-N 3.34Å; L214-T216 PolarHBondContact O-N 3.27Å
217R95.7Very high92.9Very high7 Ų732 Ų323%0.02616%0.163CC..Hα-helixtrans-77.4-26.4-178.7-64.1-74.1-81.4165.5-9.4113.1P38 D43 I213 A259 F260 S262 D263 F312P38-R217 PolarHBondContact O-NH1 3.14Å; D43-R217 WeakPolarHBondContact OD2-CD 3.43Å; D43-R217 IonicContact OD2-CZ 2.74Å; D43-R217 IonicContact OD2-NE 2.71Å; D43-R217 IonicContact OD2-NH1 3.63Å; D43-R217 PolarHBondContact OD2-NH1 3.26Å; I213-R217 HydrophobicContact CG2-CG 4.21Å; I213-R217 VanDerWaalsContact O-CB 3.3Å; I213-R217 WeakPolarHBondContact O-CB 3.48Å; I213-R217 WeakPolarHBondContact O-CG 3.21Å; I213-R217 PolarHBondContact O-N 2.98Å; R217-A259 PolarHBondContact NH2-O 3.04Å; R217-F260 HydrophobicContact CB-CD1 3.46Å; R217-F260 VanDerWaalsContact CB-CD1 3.46Å; R217-F260 HydrophobicContact CB-CE1 3.54Å; R217-F260 HydrophobicContact CG-CD1 4.03Å; R217-S262 PolarHBondContact NH2-O 3.12Å; R217-S262 VanDerWaalsContact NH2-O 3.15Å; R217-D263 IonicContact CZ-OD1 3.81Å; R217-D263 IonicContact NH1-OD1 3.7Å; R217-D263 PolarHBondContact NH1-OD1 3.31Å; R217-D263 IonicContact NH2-OD1 3.69Å; R217-D263 PolarHBondContact NH2-OD1 2.86Å; R217-F312 HydrophobicContact CB-CE2 4.41Å; R217-F312 VanDerWaalsContact CZ-CE2 3.47Å; R217-F312 WeakPolarHBondContact O-CD2 3.48Å
218S96Very high92.7Very high0 Ų033.5 Ų33.50%017%0.169CC..  trans-140114.2-176.4168.70000111.8L214 F220 F221 R222 L310L214-S218 PolarHBondContact O-N 3.36Å; S218-F220 PolarHBondContact O-N 3.36Å; S218-F220 WeakPolarHBondContact OG-CB 3.38Å; S218-F220 PolarHBondContact OG-N 2.97Å; S218-F221 PolarHBondContact O-N 3.41Å; S218-F221 VanDerWaalsContact O-N 3.16Å; S218-F221 PolarHBondContact OG-N 2.85Å; S218-R222 PolarHBondContact O-N 2.9Å; S218-L310 PolarHBondContact OG-O 2.74Å
219P94.7Very high92Very high68 Ų6836 Ų3644%0.44218%0.176SC..Hα-helixtrans-57.2-33171.7-26.536.5000113.1R222 S223 D311P219-R222 WeakPolarHBondContact O-CB 3.48Å; P219-R222 PolarHBondContact O-N 2.63Å; P219-S223 PolarHBondContact O-N 3.11Å; P219-D311 WeakPolarHBondContact CD-O 3.42Å
220F95Very high90.9Very high50 Ų5041.1 Ų41.122%0.21921%0.207CC..Hα-helixtrans-57.9-54.3173.4172.8-95.7000111.1S218 R222 S223 L224 F309 L310S218-F220 PolarHBondContact O-N 3.36Å; S218-F220 WeakPolarHBondContact OG-CB 3.38Å; S218-F220 PolarHBondContact OG-N 2.97Å; F220-R222 VanDerWaalsContact C-N 3.34Å; F220-R222 PolarHBondContact O-N 3.26Å; F220-S223 PolarHBondContact O-N 2.67Å; F220-S223 PolarHBondContact O-OG 3.14Å; F220-L224 HydrophobicContact CD1-CD1 3.96Å; F220-L224 HydrophobicContact CE1-CD1 3.31Å; F220-L224 HydrophobicContact CE1-CG 4.29Å; F220-L224 HydrophobicContact CE2-CD1 4.31Å; F220-L224 HydrophobicContact CZ-CD1 3.53Å; F220-L224 HydrophobicContact CZ-CG 4.29Å; F220-L224 PolarHBondContact O-N 3.27Å; F220-L224 VanDerWaalsContact O-N 3.14Å; F220-F309 HydrophobicContact CD2-CE1 4.28Å; F220-F309 HydrophobicContact CD2-CZ 4.24Å; F220-F309 HydrophobicContact CE1-CE1 4.14Å; F220-F309 AromaticContact CE2-CE1 3.66Å; F220-F309 HydrophobicContact CE2-CE1 3.66Å; F220-F309 HydrophobicContact CE2-CE2 4.39Å; F220-F309 AromaticContact CE2-CZ 3.49Å; F220-F309 HydrophobicContact CE2-CZ 3.49Å; F220-F309 VanDerWaalsContact CE2-CZ 3.49Å; F220-F309 AromaticContact CZ-CE1 3.56Å; F220-F309 HydrophobicContact CZ-CE1 3.56Å; F220-F309 AromaticContact CZ-CZ 3.77Å; F220-F309 HydrophobicContact CZ-CZ 3.77Å; F220-L310 HydrophobicContact CD1-CD2 3.41Å; F220-L310 VanDerWaalsContact CD1-CD2 3.41Å; F220-L310 HydrophobicContact CE1-CD2 3.67Å; F220-L310 HydrophobicContact CG-CD2 4.17Å
221F94.7Very high89.7Confident1 Ų146.5 Ų46.50%0.00424%0.236CC..Hα-helixtrans-65.2-37.1177.5-79.7-66.3000112.2I166 L214 S218 S223 L224 I225 I241 F257 F260 L310I166-F221 HydrophobicContact CD1-CE1 4.25Å; I166-F221 HydrophobicContact CD1-CZ 4.46Å; L214-F221 HydrophobicContact CB-CB 3.92Å; L214-F221 HydrophobicContact CB-CD2 4.5Å; L214-F221 HydrophobicContact CB-CG 4.18Å; L214-F221 HydrophobicContact CD1-CD1 4.38Å; S218-F221 PolarHBondContact O-N 3.41Å; S218-F221 VanDerWaalsContact O-N 3.16Å; S218-F221 PolarHBondContact OG-N 2.85Å; F221-S223 VanDerWaalsContact C-N 3.3Å; F221-S223 PolarHBondContact O-N 2.54Å; F221-L224 HydrophobicContact CD1-CD1 4.31Å; F221-L224 PolarHBondContact O-N 2.75Å; F221-I225 HydrophobicContact CB-CD1 4.26Å; F221-I225 WeakPolarHBondContact O-CB 3.27Å; F221-I225 WeakPolarHBondContact O-CD1 3.38Å; F221-I225 WeakPolarHBondContact O-CG1 3.48Å; F221-I225 PolarHBondContact O-N 3.24Å; F221-I241 HydrophobicContact CD1-CD1 4.46Å; F221-F257 HydrophobicContact CZ-CE1 4.4Å; F221-F260 HydrophobicContact CD2-CE1 4.2Å; F221-F260 HydrophobicContact CD2-CE2 4.25Å; F221-F260 AromaticContact CD2-CZ 3.58Å; F221-F260 HydrophobicContact CD2-CZ 3.58Å; F221-F260 AromaticContact CE2-CE2 3.81Å; F221-F260 HydrophobicContact CE2-CE2 3.81Å; F221-F260 AromaticContact CE2-CZ 3.59Å; F221-F260 HydrophobicContact CE2-CZ 3.59Å; F221-L310 HydrophobicContact CD2-CD2 4.34Å; F221-L310 HydrophobicContact CE2-CD1 4.16Å; F221-L310 HydrophobicContact CE2-CD2 3.7Å; F221-L310 HydrophobicContact CE2-CG 4.49Å; F221-L310 HydrophobicContact CZ-CD2 4.11Å
222R92.8Very high88.3Confident111 Ų11148.2 Ų48.242%0.41925%0.247SC..Hα-helixtrans-53.1-49.1173.1-170.8172.6177.7175.41.7111.6A215 S218 P219 F220 L224 I225 V226A215-R222 HydrophobicContact CB-CB 3.98Å; A215-R222 HydrophobicContact CB-CG 4.1Å; A215-R222 WeakPolarHBondContact O-CB 3.36Å; S218-R222 PolarHBondContact O-N 2.9Å; P219-R222 WeakPolarHBondContact O-CB 3.48Å; P219-R222 PolarHBondContact O-N 2.63Å; F220-R222 VanDerWaalsContact C-N 3.34Å; F220-R222 PolarHBondContact O-N 3.26Å; R222-L224 PolarHBondContact O-N 3.18Å; R222-I225 PolarHBondContact O-N 2.9Å; R222-V226 WeakPolarHBondContact O-CB 3.4Å; R222-V226 VanDerWaalsContact O-CG2 3.25Å; R222-V226 WeakPolarHBondContact O-CG2 3.4Å; R222-V226 PolarHBondContact O-N 3.48Å
223S91.9Very high86.6Confident69 Ų6957.9 Ų57.948%0.48329%0.285SS..Hα-helixtrans-63.1-41.1179.7780000112.3P219 F220 F221 K227P219-S223 PolarHBondContact O-N 3.11Å; F220-S223 PolarHBondContact O-N 2.67Å; F220-S223 PolarHBondContact O-OG 3.14Å; F221-S223 VanDerWaalsContact C-N 3.3Å; F221-S223 PolarHBondContact O-N 2.54Å; S223-K227 VanDerWaalsContact O-CB 3.31Å; S223-K227 WeakPolarHBondContact O-CB 3.29Å; S223-K227 PolarHBondContact O-N 3.38Å; S223-K227 VanDerWaalsContact O-N 3.09Å
224L90.5Very high84.5Confident37 Ų3766.8 Ų66.819%0.19432%0.323CS..Hα-helixtrans-66.3-42.6177.7-73-178.3000112.3F220 F221 R222 R228 I241F220-L224 HydrophobicContact CD1-CD1 3.96Å; F220-L224 HydrophobicContact CE1-CD1 3.31Å; F220-L224 HydrophobicContact CE1-CG 4.29Å; F220-L224 HydrophobicContact CE2-CD1 4.31Å; F220-L224 HydrophobicContact CZ-CD1 3.53Å; F220-L224 HydrophobicContact CZ-CG 4.29Å; F220-L224 PolarHBondContact O-N 3.27Å; F220-L224 VanDerWaalsContact O-N 3.14Å; F221-L224 HydrophobicContact CD1-CD1 4.31Å; F221-L224 PolarHBondContact O-N 2.75Å; R222-L224 PolarHBondContact O-N 3.18Å; L224-R228 WeakPolarHBondContact O-CB 3.44Å; L224-R228 WeakPolarHBondContact O-CG 3.21Å; L224-R228 PolarHBondContact O-N 3.16Å; L224-I241 HydrophobicContact CD1-CG2 4.49Å
225I90.7Very high82.2Confident2 Ų276 Ų761%0.0137%0.367CS..Hα-helixtrans-65.9-51.2-179.6-69.8162.9000109.6V53 I164 L214 A215 F221 R222 K227 R228 R229 I241V53-I225 HydrophobicContact CG1-CG2 4.4Å; I164-I225 HydrophobicContact CD1-CD1 3.45Å; I164-I225 VanDerWaalsContact CD1-CD1 3.45Å; I164-I225 HydrophobicContact CD1-CG1 3.59Å; L214-I225 HydrophobicContact CB-CD1 4.1Å; A215-I225 HydrophobicContact CB-CD1 3.99Å; F221-I225 HydrophobicContact CB-CD1 4.26Å; F221-I225 WeakPolarHBondContact O-CB 3.27Å; F221-I225 WeakPolarHBondContact O-CD1 3.38Å; F221-I225 WeakPolarHBondContact O-CG1 3.48Å; F221-I225 PolarHBondContact O-N 3.24Å; R222-I225 PolarHBondContact O-N 2.9Å; I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 2.66Å; I225-R228 PolarHBondContact O-N 3.22Å; I225-R229 WeakPolarHBondContact O-CB 3.23Å; I225-R229 PolarHBondContact O-N 2.62Å; I225-I241 HydrophobicContact CG1-CD1 4.13Å
226V88Confident80.5Confident84 Ų8478.7 Ų78.751%0.50939%0.394SS..Hα-helixtrans-57.5-45179.1170.70000110.7R222 R228R222-V226 WeakPolarHBondContact O-CB 3.4Å; R222-V226 VanDerWaalsContact O-CG2 3.25Å; R222-V226 WeakPolarHBondContact O-CG2 3.4Å; R222-V226 PolarHBondContact O-N 3.48Å; V226-R228 PolarHBondContact O-N 3.25Å
227K87.2Confident79.6Confident157 Ų15786.7 Ų86.768%0.68343%0.428SS*.Hα-helixtrans-62.4-43.3178.7-172.9175.4-178.91770112.7S223 I225S223-K227 VanDerWaalsContact O-CB 3.31Å; S223-K227 WeakPolarHBondContact O-CB 3.29Å; S223-K227 PolarHBondContact O-N 3.38Å; S223-K227 VanDerWaalsContact O-N 3.09Å; I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 2.66Å
228R84.1Confident79Confident63 Ų6389.4 Ų89.424%0.23844%0.439CS..Hα-helixtrans-81.5-24.3-176.9-72.7-167.9176.4120.3-8.2114.4L224 I225 V226 V230 D231 S232 V239L224-R228 WeakPolarHBondContact O-CB 3.44Å; L224-R228 WeakPolarHBondContact O-CG 3.21Å; L224-R228 PolarHBondContact O-N 3.16Å; I225-R228 PolarHBondContact O-N 3.22Å; V226-R228 PolarHBondContact O-N 3.25Å; R228-V230 VanDerWaalsContact C-N 3.25Å; R228-V230 PolarHBondContact O-N 3.18Å; R228-D231 PolarHBondContact O-N 2.86Å; R228-D231 VanDerWaalsContact O-N 3.14Å; R228-S232 WeakPolarHBondContact O-CB 3.42Å; R228-S232 PolarHBondContact O-N 2.76Å; R228-S232 PolarHBondContact O-OG 3.03Å; R228-V239 HydrophobicContact CB-CG1 3.76Å
229R77.9Confident78.6Confident87 Ų8790.2 Ų90.233%0.32844%0.443SS..Hα-helixtrans-63.6-35.3176.5-146.5179.6-153-172.39.5110.9I225 D231 S232 Y233I225-R229 WeakPolarHBondContact O-CB 3.23Å; I225-R229 PolarHBondContact O-N 2.62Å; R229-D231 VanDerWaalsContact C-N 3.28Å; R229-D231 PolarHBondContact O-N 3.12Å; R229-S232 PolarHBondContact O-N 3.06Å; R229-Y233 WeakPolarHBondContact O-CD2 3.39Å
230V71Confident78.3Confident106 Ų10691.7 Ų91.764%0.64244%0.443SS*.Hα-helixtrans-58.7-38.9172.9179.20000111.8R228R228-V230 VanDerWaalsContact C-N 3.25Å; R228-V230 PolarHBondContact O-N 3.18Å
231D67.1Low78.1Confident116 Ų11689.3 Ų89.362%0.6243%0.432SS*.Hα-helixtrans-79.8-28.7-178.9-63.4-28.1000113.1R228 R229 Y233R228-D231 PolarHBondContact O-N 2.86Å; R228-D231 VanDerWaalsContact O-N 3.14Å; R229-D231 VanDerWaalsContact C-N 3.28Å; R229-D231 PolarHBondContact O-N 3.12Å; D231-Y233 PolarHBondContact O-N 3.49Å
232S64.4Low77.8Confident40 Ų4094.3 Ų94.328%0.2845%0.454SS..Hα-helixtrans-80.3-10.8-166.4-60.80000115.2R228 R229 K234 Q235R228-S232 WeakPolarHBondContact O-CB 3.42Å; R228-S232 PolarHBondContact O-N 2.76Å; R228-S232 PolarHBondContact O-OG 3.03Å; R229-S232 PolarHBondContact O-N 3.06Å; S232-K234 PolarHBondContact O-N 2.94Å; S232-Q235 PolarHBondContact O-N 3.43Å
233Y56.1Low77.7Confident206 Ų20689.7 Ų89.781%0.80844%0.438SS*.THydrogen-bonded Turntrans-53.2-12.2176.4-83.1-79.4000114.3R229 D231R229-Y233 WeakPolarHBondContact O-CD2 3.39Å; D231-Y233 PolarHBondContact O-N 3.49Å
234K51.4Low77.5Confident189 Ų18989.1 Ų89.182%0.82243%0.429SS*.THydrogen-bonded Turntrans-103.8-22-173.5-67.1-175.7178.2176.50116.8S232S232-K234 PolarHBondContact O-N 2.94Å
235Q48.5Very low77.5Confident194 Ų19488.1 Ų88.191%0.90742%0.424SS*.THydrogen-bonded Turntrans-147.411.3-161.3-79.8-171.8-15.100120S232S232-Q235 PolarHBondContact O-N 3.43Å
236G58.6Low77.2Confident58 Ų5892.7 Ų92.760%0.59846%0.456SS*.  trans-179.8163.7171.600000116.4
237K74.8Confident77.3Confident176 Ų17692.4 Ų92.477%0.76545%0.454SS*.SBendtrans-67-31.4176-72-168.2169.9-152.70113.7
238R84.1Confident77.5Confident64 Ų6485.2 Ų85.224%0.24242%0.423CS..SBendtrans-124.5144.9-173.9-60.4-175.8-174.4155.14.3112.2D159 A162 D163D159-R238 VanDerWaalsContact C-NH2 3.31Å; D159-R238 PolarHBondContact O-NH2 3.44Å; D159-R238 IonicContact OD1-CZ 3.52Å; D159-R238 IonicContact OD1-NH1 2.62Å; D159-R238 IonicContact OD1-NH2 2.79Å; D159-R238 PolarHBondContact OD1-NH2 3.16Å; A162-R238 WeakPolarHBondContact O-CD 3.33Å; A162-R238 WeakPolarHBondContact O-CG 3.35Å; A162-R238 PolarHBondContact O-NE 2.73Å; D163-R238 CarbonylContact O-C 3.59Å; D163-R238 WeakPolarHBondContact O-CA 3.48Å
239V86.8Confident77.8Confident16 Ų1684 Ų8410%0.09742%0.423CS..EExtended strand (participates in β ladder)trans-80119.4173.9-179.40000109.3D163 I164 E165 R228 I241D163-V239 PolarHBondContact O-N 3.33Å; I164-V239 WeakPolarHBondContact CA-O 3.47Å; E165-V239 PolarHBondContact N-O 3.14Å; R228-V239 HydrophobicContact CB-CG1 3.76Å; V239-I241 HydrophobicContact CG1-CG1 4.43Å
240K88.5Confident78.4Confident100 Ų10081 Ų8144%0.43541%0.412SS..EExtended strand (participates in β ladder)trans-90.5123.3177.3-60.6-169.2-175.8-120.80111.1E165 F242E165-K240 HydrophobicContact CB-CG 4.37Å; E165-K240 CarbonylContact O-C 3.6Å; E165-K240 WeakPolarHBondContact O-CA 3.28Å; E165-K240 IonicContact OE1-NZ 3.93Å; E165-K240 PolarHBondContact OE1-NZ 3.38Å; E165-K240 WeakPolarHBondContact OE2-CE 3.47Å; E165-K240 IonicContact OE2-NZ 2.67Å; E165-K240 PolarHBondContact OE2-NZ 2.89Å; K240-F242 HydrophobicContact CB-CE2 4.21Å; K240-F242 HydrophobicContact CB-CZ 4.36Å
241I90.2Very high79.3Confident0 Ų076.7 Ų76.70%039%0.385CS..EExtended strand (participates in β ladder)trans-110.8110.6176.3-59.3-174.3000108.2I164 E165 I166 V167 F221 L224 I225 V239 L243I164-I241 HydrophobicContact CD1-CD1 4.22Å; I164-I241 HydrophobicContact CG2-CD1 3.84Å; I164-I241 HydrophobicContact CG2-CG1 4.09Å; E165-I241 PolarHBondContact O-N 3.47Å; I166-I241 CarbonylContact C-O 3.54Å; I166-I241 WeakPolarHBondContact CA-O 3.38Å; I166-I241 HydrophobicContact CG1-CB 4.39Å; V167-I241 PolarHBondContact N-O 2.84Å; F221-I241 HydrophobicContact CD1-CD1 4.46Å; L224-I241 HydrophobicContact CD1-CG2 4.49Å; I225-I241 HydrophobicContact CG1-CD1 4.13Å; V239-I241 HydrophobicContact CG1-CG1 4.43Å; I241-L243 HydrophobicContact CG2-CD2 3.94Å; I241-L243 HydrophobicContact CG2-CG 4.29Å
242F89.7Confident80.5Confident106 Ų10671.2 Ų71.247%0.46536%0.355SS..EExtended strand (participates in β ladder)trans-85122.9172.6-59.8-80.4000109.8V167 T169 K240V167-F242 HydrophobicContact CB-CD1 3.73Å; V167-F242 HydrophobicContact CB-CE1 3.92Å; V167-F242 HydrophobicContact CG1-CD1 3.97Å; V167-F242 HydrophobicContact CG1-CE1 3.99Å; V167-F242 HydrophobicContact CG2-CD1 4.41Å; V167-F242 HydrophobicContact CG2-CE1 4.19Å; V167-F242 WeakPolarHBondContact O-CA 3.46Å; T169-F242 HydrophobicContact CG2-CB 4.27Å; T169-F242 HydrophobicContact CG2-CD1 3.58Å; T169-F242 HydrophobicContact CG2-CE1 4.43Å; T169-F242 HydrophobicContact CG2-CG 4.35Å; K240-F242 HydrophobicContact CB-CE2 4.21Å; K240-F242 HydrophobicContact CB-CZ 4.36Å
243L91.1Very high81.9Confident13 Ų1369.3 Ų69.37%0.06834%0.342CS..EExtended strand (participates in β ladder)trans-106.5135.9172.2-61.7-179.3000109I166 V167 F168 T169 I241 I248 F257I166-L243 HydrophobicContact CG2-CD1 3.42Å; I166-L243 VanDerWaalsContact CG2-CD1 3.42Å; I166-L243 HydrophobicContact CG2-CG 3.87Å; V167-L243 PolarHBondContact O-N 3.03Å; F168-L243 HydrophobicContact CD1-CB 4.18Å; F168-L243 HydrophobicContact CE1-CB 4.16Å; F168-L243 HydrophobicContact CE1-CD1 4.03Å; F168-L243 HydrophobicContact CZ-CD1 3.98Å; T169-L243 PolarHBondContact N-O 3.01Å; T169-L243 PolarHBondContact OG1-O 3.22Å; T169-L243 VanDerWaalsContact OG1-O 3.06Å; I241-L243 HydrophobicContact CG2-CD2 3.94Å; I241-L243 HydrophobicContact CG2-CG 4.29Å; L243-I248 HydrophobicContact CD1-CD1 4.23Å; L243-F257 HydrophobicContact CD1-CZ 4.49Å
244D87.5Confident83.7Confident57 Ų5760.5 Ų60.531%0.30531%0.31SS..EExtended strand (participates in β ladder)trans-80.6124.9175-164.2-18.5000109.6T169 S246 V247 I248T169-D244 CarbonylContact O-C 3.32Å; T169-D244 WeakPolarHBondContact O-CA 3.45Å; D244-S246 VanDerWaalsContact CG-OG 3.29Å; D244-S246 PolarHBondContact O-N 2.86Å; D244-S246 PolarHBondContact OD1-N 3.43Å; D244-S246 VanDerWaalsContact OD1-N 3.09Å; D244-S246 PolarHBondContact OD1-OG 3.41Å; D244-S246 PolarHBondContact OD2-OG 3.2Å; D244-V247 HydrophobicContact CB-CG2 4.2Å; D244-V247 PolarHBondContact O-N 3.02Å; D244-I248 PolarHBondContact O-N 3.46Å
245E89Confident85.8Confident17 Ų1751.5 Ų51.58%0.07927%0.271CS..THydrogen-bonded Turntrans-60.7-22.1176.6-74.5-175.5-177.400112.9F168 T169 R170 V247 I248 P249 R250F168-E245 HydrophobicContact CB-CG 4.03Å; F168-E245 HydrophobicContact CD1-CG 4.46Å; T169-E245 PolarHBondContact O-N 2.8Å; R170-E245 IonicContact NH1-OE2 3.7Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-I248 WeakPolarHBondContact CA-O 3.42Å; E245-P249 WeakPolarHBondContact O-CA 3.41Å; E245-R250 HydrophobicContact CG-CB 4.4Å; E245-R250 WeakPolarHBondContact OE1-CD 3.22Å; E245-R250 IonicContact OE1-CZ 2.67Å; E245-R250 IonicContact OE1-NH1 3.47Å; E245-R250 PolarHBondContact OE1-NH1 2.89Å; E245-R250 IonicContact OE2-NH1 3.71Å; E245-R250 PolarHBondContact OE2-NH1 2.96Å
246S85.5Confident88.1Confident97 Ų9742.4 Ų42.468%0.67823%0.229SC*.THydrogen-bonded Turntrans-74.2-18.6174.170.90000113.4D244D244-S246 VanDerWaalsContact CG-OG 3.29Å; D244-S246 PolarHBondContact O-N 2.86Å; D244-S246 PolarHBondContact OD1-N 3.43Å; D244-S246 VanDerWaalsContact OD1-N 3.09Å; D244-S246 PolarHBondContact OD1-OG 3.41Å; D244-S246 PolarHBondContact OD2-OG 3.2Å
247V89.1Confident89.8Confident78 Ų7839.8 Ų39.847%0.47320%0.201SC..THydrogen-bonded Turntrans-100.3-46.5178.7-177.30000110.3D244 E245 F309D244-V247 HydrophobicContact CB-CG2 4.2Å; D244-V247 PolarHBondContact O-N 3.02Å; E245-V247 VanDerWaalsContact C-N 3.26Å; V247-F309 HydrophobicContact CG1-CE1 4.23Å; V247-F309 HydrophobicContact CG1-CZ 4.36Å
248I91.5Very high90.8Very high6 Ų633.3 Ų33.33%0.03117%0.174CC..SBendtrans-12497.6176.2-57.2178.1000107.4F168 L243 D244 E245 R250 I256 I306 L310F168-I248 HydrophobicContact CE1-CB 4.29Å; F168-I248 HydrophobicContact CE1-CG2 3.91Å; F168-I248 WeakPolarHBondContact CE1-O 3.3Å; F168-I248 HydrophobicContact CZ-CG2 4.5Å; L243-I248 HydrophobicContact CD1-CD1 4.23Å; D244-I248 PolarHBondContact O-N 3.46Å; E245-I248 WeakPolarHBondContact CA-O 3.42Å; I248-R250 PolarHBondContact O-N 2.96Å; I248-I256 HydrophobicContact CG2-CD1 3.86Å; I248-I306 HydrophobicContact CD1-CG2 4.4Å; I248-I306 HydrophobicContact CG1-CG2 4.25Å; I248-I306 HydrophobicContact CG2-CD1 4.39Å; I248-I306 HydrophobicContact CG2-CG2 4.31Å; I248-L310 HydrophobicContact CD1-CD2 4.08Å
249P91Very high91.4Very high37 Ų3730.2 Ų30.224%0.2416%0.163CC..  trans-56.7127.2176.9-25.935.3000111.1E245 Q251 Y252E245-P249 WeakPolarHBondContact O-CA 3.41Å; P249-Q251 HydrophobicContact CB-CG 4.22Å; P249-Q251 PolarHBondContact O-N 2.95Å; P249-Y252 HydrophobicContact CB-CD2 3.82Å; P249-Y252 HydrophobicContact CB-CE2 3.94Å; P249-Y252 HydrophobicContact CG-CD2 4.01Å; P249-Y252 HydrophobicContact CG-CE2 3.92Å; P249-Y252 PolarHBondContact O-N 2.82Å; P249-Y252 VanDerWaalsContact O-N 3.1Å
250R89.8Confident91.9Very high25 Ų2529.5 Ų29.59%0.09416%0.158CC..G310 helixtrans-57.3-27.2-176.566167.4-178.2-101.5-6.2113.9F168 E245 I248 Y252 A253 H274F168-R250 HydrophobicContact CB-CB 4.08Å; F168-R250 HydrophobicContact CD1-CB 3.92Å; F168-R250 HydrophobicContact CD2-CB 4.39Å; F168-R250 HydrophobicContact CE1-CB 4.49Å; F168-R250 HydrophobicContact CG-CB 3.85Å; E245-R250 HydrophobicContact CG-CB 4.4Å; E245-R250 WeakPolarHBondContact OE1-CD 3.22Å; E245-R250 IonicContact OE1-CZ 2.67Å; E245-R250 IonicContact OE1-NH1 3.47Å; E245-R250 PolarHBondContact OE1-NH1 2.89Å; E245-R250 IonicContact OE2-NH1 3.71Å; E245-R250 PolarHBondContact OE2-NH1 2.96Å; I248-R250 PolarHBondContact O-N 2.96Å; R250-Y252 PolarHBondContact O-N 2.79Å; R250-Y252 VanDerWaalsContact O-N 3.15Å; R250-A253 WeakPolarHBondContact O-CB 3.02Å; R250-A253 PolarHBondContact O-N 2.77Å; R250-H274 PolarHBondContact NH2-O 3.09Å
251Q90.2Very high92.3Very high16 Ų1624.9 Ų24.98%0.07514%0.138CC..G310 helixtrans-62.1-22.9-179.770.1-174.215.100113.5P249 E271P249-Q251 HydrophobicContact CB-CG 4.22Å; P249-Q251 PolarHBondContact O-N 2.95Å; Q251-E271 PolarHBondContact O-N 3.43Å
252Y93.5Very high92.5Very high0 Ų025.8 Ų25.80%014%0.144CC..G310 helixtrans-92.9-7.9177.7-55.7-43.5000113.3P249 R250 P254 V255 I256 I270 E299 E302 I303 I306P249-Y252 HydrophobicContact CB-CD2 3.82Å; P249-Y252 HydrophobicContact CB-CE2 3.94Å; P249-Y252 HydrophobicContact CG-CD2 4.01Å; P249-Y252 HydrophobicContact CG-CE2 3.92Å; P249-Y252 PolarHBondContact O-N 2.82Å; P249-Y252 VanDerWaalsContact O-N 3.1Å; R250-Y252 PolarHBondContact O-N 2.79Å; R250-Y252 VanDerWaalsContact O-N 3.15Å; Y252-P254 VanDerWaalsContact C-CD 3.41Å; Y252-P254 VanDerWaalsContact C-N 3.35Å; Y252-V255 PolarHBondContact O-N 3.13Å; Y252-V255 VanDerWaalsContact O-N 3.12Å; Y252-I256 VanDerWaalsContact O-CG1 3.32Å; Y252-I256 WeakPolarHBondContact O-CG1 3.44Å; Y252-I256 PolarHBondContact O-N 3.39Å; Y252-I270 HydrophobicContact CD1-CD1 4.11Å; Y252-I270 HydrophobicContact CD1-CG1 4.22Å; Y252-I270 HydrophobicContact CD1-CG2 4.19Å; Y252-I270 HydrophobicContact CE1-CD1 4.14Å; Y252-I270 HydrophobicContact CE1-CG2 4.24Å; Y252-E299 HydrophobicContact CE1-CB 4.19Å; Y252-E299 HydrophobicContact CE1-CG 4.21Å; Y252-E302 HydrophobicContact CE2-CB 3.9Å; Y252-E302 WeakPolarHBondContact CE2-OE2 3.37Å; Y252-E302 PolarHBondContact OH-OE2 3.1Å; Y252-I303 HydrophobicContact CD1-CD1 3.72Å; Y252-I303 HydrophobicContact CD1-CG1 3.77Å; Y252-I303 HydrophobicContact CD2-CG1 4.14Å; Y252-I303 HydrophobicContact CE1-CD1 4.22Å; Y252-I303 HydrophobicContact CE1-CG1 4.25Å; Y252-I303 HydrophobicContact CG-CD1 4.13Å; Y252-I303 HydrophobicContact CG-CG1 3.71Å; Y252-I306 HydrophobicContact CD2-CD1 3.79Å
253A93.5Very high92.7Very high0 Ų023.6 Ų23.60%014%0.137CC..Hα-helixtrans-55.1-41.1-17900000113.6F168 Y207 R250 V255 I256 F257F168-A253 HydrophobicContact CE1-CB 4.41Å; F168-A253 HydrophobicContact CE2-CB 3.62Å; F168-A253 HydrophobicContact CZ-CB 3.5Å; Y207-A253 HydrophobicContact CD2-CB 4.18Å; Y207-A253 HydrophobicContact CE1-CB 4.49Å; Y207-A253 HydrophobicContact CE2-CB 3.36Å; R250-A253 WeakPolarHBondContact O-CB 3.02Å; R250-A253 PolarHBondContact O-N 2.77Å; A253-V255 VanDerWaalsContact C-N 3.34Å; A253-V255 PolarHBondContact O-N 3.34Å; A253-I256 PolarHBondContact O-N 3.2Å; A253-F257 HydrophobicContact CB-CD2 4.01Å; A253-F257 HydrophobicContact CB-CE2 3.94Å; A253-F257 WeakPolarHBondContact O-CB 3.48Å; A253-F257 WeakPolarHBondContact O-CD2 3.25Å; A253-F257 PolarHBondContact O-N 2.7Å
254P93.3Very high92.9Very high21 Ų2132 Ų3214%0.13617%0.168CC..Hα-helixtrans-58.6-44176.1-20.329.5000112.7Y207 Y252 D258 A269 E271Y207-P254 WeakPolarHBondContact OH-CD 3.35Å; Y207-P254 VanDerWaalsContact OH-CG 3.29Å; Y207-P254 WeakPolarHBondContact OH-CG 3.35Å; Y252-P254 VanDerWaalsContact C-CD 3.41Å; Y252-P254 VanDerWaalsContact C-N 3.35Å; P254-D258 WeakPolarHBondContact O-CB 3.45Å; P254-D258 PolarHBondContact O-N 3.48Å; P254-A269 HydrophobicContact CB-CB 4.22Å; P254-A269 WeakPolarHBondContact CB-O 3.47Å; P254-A269 WeakPolarHBondContact CG-O 3.21Å; P254-E271 HydrophobicContact CG-CG 3.86Å
255V95.4Very high93.3Very high1 Ų130.4 Ų30.41%0.00616%0.16CC..Hα-helixtrans-66.6-45.3-179.8-171.30000111Y252 A253 A259 V265 D266 A269 I270 I303Y252-V255 PolarHBondContact O-N 3.13Å; Y252-V255 VanDerWaalsContact O-N 3.12Å; A253-V255 VanDerWaalsContact C-N 3.34Å; A253-V255 PolarHBondContact O-N 3.34Å; V255-A259 WeakPolarHBondContact O-CB 3.36Å; V255-A259 PolarHBondContact O-N 3.43Å; V255-A259 VanDerWaalsContact O-N 3.08Å; V255-V265 HydrophobicContact CG1-CG1 3.84Å; V255-D266 WeakPolarHBondContact CG2-O 3.47Å; V255-A269 HydrophobicContact CG2-CB 4.32Å; V255-I270 HydrophobicContact CG2-CD1 4.42Å; V255-I270 HydrophobicContact CG2-CG1 3.47Å; V255-I270 VanDerWaalsContact CG2-CG1 3.47Å; V255-I303 HydrophobicContact CB-CD1 4.47Å; V255-I303 HydrophobicContact CG1-CD1 4.33Å; V255-I303 HydrophobicContact CG2-CD1 4.46Å
256I96.3Very high93.6Very high3 Ų333.3 Ų33.32%0.01518%0.177CC..Hα-helixtrans-65-49.5-177.5-65.3161.8000110.2I248 Y252 A253 A259 F260 I306 L310 L315I248-I256 HydrophobicContact CG2-CD1 3.86Å; Y252-I256 VanDerWaalsContact O-CG1 3.32Å; Y252-I256 WeakPolarHBondContact O-CG1 3.44Å; Y252-I256 PolarHBondContact O-N 3.39Å; A253-I256 PolarHBondContact O-N 3.2Å; I256-A259 PolarHBondContact O-N 3.43Å; I256-F260 HydrophobicContact CG2-CD2 4.13Å; I256-F260 HydrophobicContact CG2-CE2 3.84Å; I256-F260 VanDerWaalsContact O-CD2 3.24Å; I256-F260 WeakPolarHBondContact O-CD2 3.03Å; I256-F260 PolarHBondContact O-N 3.43Å; I256-I306 HydrophobicContact CD1-CD1 4.23Å; I256-I306 HydrophobicContact CD1-CG2 3.75Å; I256-I306 HydrophobicContact CG1-CG2 4.47Å; I256-L310 HydrophobicContact CG2-CD1 3.97Å; I256-L315 HydrophobicContact CG1-CD2 4Å; I256-L315 HydrophobicContact CG2-CD2 4.31Å
257F95.3Very high93.9Very high3 Ų329.2 Ų29.21%0.01315%0.147CC..Hα-helixtrans-74.7-33.8-177.3-66-58.4000112.3L154 I166 F168 Y207 L214 F221 L243 A253 A259 F260 Y261L154-F257 HydrophobicContact CD1-CB 4.1Å; L154-F257 VanDerWaalsContact CD2-C 3.47Å; L154-F257 HydrophobicContact CD2-CB 4.2Å; L154-F257 WeakPolarHBondContact CD2-O 3.27Å; I166-F257 HydrophobicContact CB-CZ 4.43Å; I166-F257 HydrophobicContact CD1-CD1 4.26Å; I166-F257 HydrophobicContact CD1-CE1 3.24Å; I166-F257 HydrophobicContact CD1-CE2 4.27Å; I166-F257 HydrophobicContact CD1-CZ 3.27Å; I166-F257 HydrophobicContact CG1-CZ 4.41Å; I166-F257 HydrophobicContact CG2-CE2 4.41Å; I166-F257 HydrophobicContact CG2-CZ 4.01Å; F168-F257 AromaticContact CE2-CE2 3.97Å; F168-F257 HydrophobicContact CE2-CE2 3.97Å; F168-F257 AromaticContact CZ-CE2 3.88Å; F168-F257 HydrophobicContact CZ-CE2 3.88Å; F168-F257 HydrophobicContact CZ-CZ 4.41Å; Y207-F257 HydrophobicContact CD1-CB 4.34Å; Y207-F257 AromaticContact CD1-CD2 3.63Å; Y207-F257 HydrophobicContact CD1-CD2 3.63Å; Y207-F257 HydrophobicContact CD1-CE2 4.38Å; Y207-F257 HydrophobicContact CD1-CG 4.24Å; Y207-F257 HydrophobicContact CD2-CD2 4.09Å; Y207-F257 HydrophobicContact CD2-CE2 4.07Å; Y207-F257 AromaticContact CE1-CD2 3.97Å; Y207-F257 HydrophobicContact CE1-CD2 3.97Å; Y207-F257 HydrophobicContact CE2-CD2 4.37Å; Y207-F257 AromaticContact CG-CD2 3.69Å; Y207-F257 HydrophobicContact CG-CD2 3.69Å; Y207-F257 AromaticContact CG-CE2 3.97Å; Y207-F257 HydrophobicContact CG-CE2 3.97Å; L214-F257 HydrophobicContact CD2-CD1 4.4Å; L214-F257 HydrophobicContact CD2-CE1 4.46Å; F221-F257 HydrophobicContact CZ-CE1 4.4Å; L243-F257 HydrophobicContact CD1-CZ 4.49Å; A253-F257 HydrophobicContact CB-CD2 4.01Å; A253-F257 HydrophobicContact CB-CE2 3.94Å; A253-F257 WeakPolarHBondContact O-CB 3.48Å; A253-F257 WeakPolarHBondContact O-CD2 3.25Å; A253-F257 PolarHBondContact O-N 2.7Å; F257-A259 VanDerWaalsContact C-N 3.29Å; F257-A259 PolarHBondContact O-N 3.39Å; F257-F260 AromaticContact CD1-CD2 3.99Å; F257-F260 HydrophobicContact CD1-CD2 3.99Å; F257-F260 HydrophobicContact CE1-CD2 4.44Å; F257-F260 WeakPolarHBondContact O-CB 3.44Å; F257-F260 PolarHBondContact O-N 3.16Å; F257-F260 VanDerWaalsContact O-N 3.08Å; F257-Y261 VanDerWaalsContact O-CD2 3.32Å; F257-Y261 WeakPolarHBondContact O-CD2 3.43Å; F257-Y261 PolarHBondContact O-N 2.89Å
258D95.5Very high94Very high39 Ų3929.5 Ų29.521%0.20915%0.153CC..Hα-helixtrans-55.8-48.5168.9-17387.5000110.5L154 H155 P254 F260 Y261 S262L154-D258 HydrophobicContact CD2-CB 4.45Å; H155-D258 IonicContact CE1-OD1 3.26Å; H155-D258 IonicContact NE2-OD1 2.78Å; P254-D258 WeakPolarHBondContact O-CB 3.45Å; P254-D258 PolarHBondContact O-N 3.48Å; D258-F260 PolarHBondContact O-N 2.9Å; D258-F260 VanDerWaalsContact O-N 3.12Å; D258-Y261 CarbonylContact O-C 3.59Å; D258-Y261 PolarHBondContact O-N 3.05Å; D258-S262 WeakPolarHBondContact O-CB 3.37Å; D258-S262 PolarHBondContact O-N 2.95Å; D258-S262 PolarHBondContact O-OG 3.11Å; D258-S262 PolarHBondContact OD2-OG 3.35Å
259A97Very high94Very high0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-61.8-21.4177.300000114.1R217 V255 I256 F257 S262 R264 V265 F312 L315R217-A259 PolarHBondContact NH2-O 3.04Å; V255-A259 WeakPolarHBondContact O-CB 3.36Å; V255-A259 PolarHBondContact O-N 3.43Å; V255-A259 VanDerWaalsContact O-N 3.08Å; I256-A259 PolarHBondContact O-N 3.43Å; F257-A259 VanDerWaalsContact C-N 3.29Å; F257-A259 PolarHBondContact O-N 3.39Å; A259-S262 CarbonylContact C-O 3.43Å; A259-R264 WeakPolarHBondContact CA-O 3.4Å; A259-R264 VanDerWaalsContact CB-O 3.29Å; A259-R264 WeakPolarHBondContact CB-O 3.48Å; A259-V265 HydrophobicContact CB-CG2 4.44Å; A259-F312 HydrophobicContact CB-CE1 3.83Å; A259-F312 HydrophobicContact CB-CZ 4.28Å; A259-F312 WeakPolarHBondContact O-CZ 3.29Å; A259-L315 HydrophobicContact CB-CD1 4.23Å
260F96.7Very high94Very high0 Ų029.9 Ų29.90%016%0.158CC..Hα-helixtrans-71.7-33.7172.2-90.2-77.6000112.5I213 L214 R217 F221 I256 F257 D258 L310 F312I213-F260 HydrophobicContact CG2-CB 4.46Å; I213-F260 WeakPolarHBondContact CG2-O 3.44Å; L214-F260 HydrophobicContact CD2-CB 4.07Å; L214-F260 HydrophobicContact CD2-CD1 3.53Å; L214-F260 HydrophobicContact CD2-CD2 3.87Å; L214-F260 HydrophobicContact CD2-CE1 3.88Å; L214-F260 HydrophobicContact CD2-CE2 4.2Å; L214-F260 HydrophobicContact CD2-CG 3.55Å; L214-F260 HydrophobicContact CD2-CZ 4.22Å; R217-F260 HydrophobicContact CB-CD1 3.46Å; R217-F260 VanDerWaalsContact CB-CD1 3.46Å; R217-F260 HydrophobicContact CB-CE1 3.54Å; R217-F260 HydrophobicContact CG-CD1 4.03Å; F221-F260 HydrophobicContact CD2-CE1 4.2Å; F221-F260 HydrophobicContact CD2-CE2 4.25Å; F221-F260 AromaticContact CD2-CZ 3.58Å; F221-F260 HydrophobicContact CD2-CZ 3.58Å; F221-F260 AromaticContact CE2-CE2 3.81Å; F221-F260 HydrophobicContact CE2-CE2 3.81Å; F221-F260 AromaticContact CE2-CZ 3.59Å; F221-F260 HydrophobicContact CE2-CZ 3.59Å; I256-F260 HydrophobicContact CG2-CD2 4.13Å; I256-F260 HydrophobicContact CG2-CE2 3.84Å; I256-F260 VanDerWaalsContact O-CD2 3.24Å; I256-F260 WeakPolarHBondContact O-CD2 3.03Å; I256-F260 PolarHBondContact O-N 3.43Å; F257-F260 AromaticContact CD1-CD2 3.99Å; F257-F260 HydrophobicContact CD1-CD2 3.99Å; F257-F260 HydrophobicContact CE1-CD2 4.44Å; F257-F260 WeakPolarHBondContact O-CB 3.44Å; F257-F260 PolarHBondContact O-N 3.16Å; F257-F260 VanDerWaalsContact O-N 3.08Å; D258-F260 PolarHBondContact O-N 2.9Å; D258-F260 VanDerWaalsContact O-N 3.12Å; F260-L310 HydrophobicContact CE2-CD1 4.38Å; F260-F312 HydrophobicContact CD2-CE1 4.41Å; F260-F312 HydrophobicContact CE1-CD1 4.49Å; F260-F312 HydrophobicContact CE2-CD1 4.19Å; F260-F312 HydrophobicContact CE2-CE1 4.45Å; F260-F312 HydrophobicContact CG-CE1 4.48Å; F260-F312 HydrophobicContact CZ-CD1 4.12Å; F260-F312 HydrophobicContact CZ-CG 4.41Å
261Y96.5Very high93.7Very high4 Ų431.7 Ų31.72%0.01617%0.168CC..Hα-helixtrans-102.9-4.6-176.4-70.7-99.7000112.9L40 L153 L154 H210 I213 F257 D258L40-Y261 WeakPolarHBondContact CD2-O 3.35Å; L153-Y261 HydrophobicContact CB-CD1 3.82Å; L153-Y261 HydrophobicContact CB-CE1 3.68Å; L153-Y261 HydrophobicContact CD1-CE1 4.41Å; L154-Y261 HydrophobicContact CB-CD1 4.04Å; L154-Y261 HydrophobicContact CB-CD2 3.88Å; L154-Y261 HydrophobicContact CB-CE1 4.46Å; L154-Y261 HydrophobicContact CB-CE2 4.33Å; L154-Y261 HydrophobicContact CB-CG 3.74Å; L154-Y261 HydrophobicContact CD1-CD2 4.08Å; L154-Y261 HydrophobicContact CD1-CE2 4.02Å; L154-Y261 HydrophobicContact CD2-CD2 4.05Å; L154-Y261 HydrophobicContact CD2-CG 4.41Å; L154-Y261 HydrophobicContact CG-CD2 4.22Å; H210-Y261 VanDerWaalsContact CB-OH 3.31Å; H210-Y261 WeakPolarHBondContact CB-OH 3.24Å; H210-Y261 PolarHBondContact N-OH 3.17Å; H210-Y261 AromaticContact ND1-CE1 3.49Å; H210-Y261 WeakPolarHBondContact ND1-CE1 3.16Å; H210-Y261 AromaticContact ND1-CZ 3.54Å; H210-Y261 PolarHBondContact ND1-OH 3.43Å; I213-Y261 HydrophobicContact CB-CE1 4.41Å; I213-Y261 HydrophobicContact CD1-CD1 3.66Å; I213-Y261 HydrophobicContact CD1-CE1 3.19Å; I213-Y261 HydrophobicContact CG1-CE1 4.35Å; I213-Y261 HydrophobicContact CG2-CD1 4.46Å; I213-Y261 HydrophobicContact CG2-CD2 4.44Å; I213-Y261 HydrophobicContact CG2-CE1 4.25Å; I213-Y261 HydrophobicContact CG2-CE2 4.23Å; F257-Y261 VanDerWaalsContact O-CD2 3.32Å; F257-Y261 WeakPolarHBondContact O-CD2 3.43Å; F257-Y261 PolarHBondContact O-N 2.89Å; D258-Y261 CarbonylContact O-C 3.59Å; D258-Y261 PolarHBondContact O-N 3.05Å
262S94.5Very high93Very high18 Ų1836.2 Ų36.213%0.12618%0.184CC..SBendtrans-129.1177.5174.183.60000109R217 D258 A259 R264R217-S262 PolarHBondContact NH2-O 3.12Å; R217-S262 VanDerWaalsContact NH2-O 3.15Å; D258-S262 WeakPolarHBondContact O-CB 3.37Å; D258-S262 PolarHBondContact O-N 2.95Å; D258-S262 PolarHBondContact O-OG 3.11Å; D258-S262 PolarHBondContact OD2-OG 3.35Å; A259-S262 CarbonylContact C-O 3.43Å; S262-R264 PolarHBondContact OG-N 3.29Å; S262-R264 VanDerWaalsContact OG-N 3.11Å; S262-R264 PolarHBondContact OG-O 3.3Å
263D95.5Very high91.6Very high60 Ų6039.9 Ų39.932%0.32122%0.222SC..SBendtrans-109.636.2165.5-75.9-43.7000109.8S39 L40 R217 I314S39-D263 WeakPolarHBondContact CB-OD2 3.31Å; L40-D263 WeakPolarHBondContact CB-OD2 3.14Å; L40-D263 VanDerWaalsContact N-CG 3.27Å; L40-D263 PolarHBondContact N-OD1 3.23Å; L40-D263 PolarHBondContact N-OD2 3.16Å; R217-D263 IonicContact CZ-OD1 3.81Å; R217-D263 IonicContact NH1-OD1 3.7Å; R217-D263 PolarHBondContact NH1-OD1 3.31Å; R217-D263 IonicContact NH2-OD1 3.69Å; R217-D263 PolarHBondContact NH2-OD1 2.86Å; D263-I314 HydrophobicContact CB-CG2 4.45Å
264R94.4Very high89.7Confident190 Ų19044.3 Ų44.372%0.71724%0.242SC*.  trans-127.3146.3-172-60.4-175176.7-158.4-0.5111.4A259 S262A259-R264 WeakPolarHBondContact CA-O 3.4Å; A259-R264 VanDerWaalsContact CB-O 3.29Å; A259-R264 WeakPolarHBondContact CB-O 3.48Å; S262-R264 PolarHBondContact OG-N 3.29Å; S262-R264 VanDerWaalsContact OG-N 3.11Å; S262-R264 PolarHBondContact OG-O 3.3Å
265V96.4Very high87.7Confident23 Ų2346.4 Ų46.414%0.13925%0.252CS..  trans-120.3112.7172.9-178.80000107.6V255 A259 L267 L315 I322V255-V265 HydrophobicContact CG1-CG1 3.84Å; A259-V265 HydrophobicContact CB-CG2 4.44Å; V265-L267 HydrophobicContact CG1-CD2 4.45Å; V265-L315 HydrophobicContact CG1-CD1 4.1Å; V265-L315 HydrophobicContact CG2-CD1 3.77Å; V265-I322 HydrophobicContact CB-CD1 4.28Å; V265-I322 HydrophobicContact CG1-CD1 3.83Å
266D94.2Very high85.4Confident79 Ų7949.3 Ų49.342%0.42227%0.271SS..  trans-122.2107.5180-176.18.7000111.7V255 S268 A269V255-D266 WeakPolarHBondContact CG2-O 3.47Å; D266-S268 PolarHBondContact O-N 2.92Å; D266-S268 WeakPolarHBondContact OD1-CB 3.14Å; D266-S268 PolarHBondContact OD1-N 2.82Å; D266-S268 PolarHBondContact OD1-OG 3.12Å; D266-S268 PolarHBondContact OD2-OG 3.34Å; D266-A269 PolarHBondContact O-N 3.42Å
267L93Very high82.7Confident11 Ų1154 Ų546%0.05830%0.304CS..G310 helixtrans-70.8-9.4177.2-52.1-176000113.3V265 A269 I270 R272 A300 I303 I322V265-L267 HydrophobicContact CG1-CD2 4.45Å; L267-A269 PolarHBondContact O-N 2.85Å; L267-I270 HydrophobicContact CB-CD1 3.9Å; L267-I270 HydrophobicContact CD2-CD1 4.06Å; L267-I270 WeakPolarHBondContact O-CD1 3.49Å; L267-I270 VanDerWaalsContact O-CG1 3.3Å; L267-I270 WeakPolarHBondContact O-CG1 3.5Å; L267-I270 PolarHBondContact O-N 2.97Å; L267-R272 PolarHBondContact O-NH2 3.08Å; L267-A300 HydrophobicContact CD1-CB 4.01Å; L267-I303 HydrophobicContact CD2-CD1 3.56Å; L267-I322 HydrophobicContact CD1-CD1 4.17Å; L267-I322 HydrophobicContact CD1-CG2 3.74Å; L267-I322 HydrophobicContact CD2-CD1 4.22Å; L267-I322 HydrophobicContact CG-CD1 3.87Å
268S91.5Very high80Confident84 Ų8457 Ų5759%0.58733%0.329SS*.G310 helixtrans-68.4-28.4174.8900000111.6D266 I270D266-S268 PolarHBondContact O-N 2.92Å; D266-S268 WeakPolarHBondContact OD1-CB 3.14Å; D266-S268 PolarHBondContact OD1-N 2.82Å; D266-S268 PolarHBondContact OD1-OG 3.12Å; D266-S268 PolarHBondContact OD2-OG 3.34Å; S268-I270 PolarHBondContact O-N 3.3Å
269A90.6Very high77.7Confident41 Ų4158.7 Ų58.734%0.33934%0.344SS..G310 helixtrans-74.9-3.6178.600000114P254 V255 D266 L267 E271P254-A269 HydrophobicContact CB-CB 4.22Å; P254-A269 WeakPolarHBondContact CB-O 3.47Å; P254-A269 WeakPolarHBondContact CG-O 3.21Å; V255-A269 HydrophobicContact CG2-CB 4.32Å; D266-A269 PolarHBondContact O-N 3.42Å; L267-A269 PolarHBondContact O-N 2.85Å; A269-E271 PolarHBondContact O-N 3.4Å
270I90.4Very high75.4Confident9 Ų962.9 Ų62.95%0.04637%0.374CS..  trans-64.9125.1178.4-62.4173.5000110.2Y252 V255 L267 S268 R272 E299 I303Y252-I270 HydrophobicContact CD1-CD1 4.11Å; Y252-I270 HydrophobicContact CD1-CG1 4.22Å; Y252-I270 HydrophobicContact CD1-CG2 4.19Å; Y252-I270 HydrophobicContact CE1-CD1 4.14Å; Y252-I270 HydrophobicContact CE1-CG2 4.24Å; V255-I270 HydrophobicContact CG2-CD1 4.42Å; V255-I270 HydrophobicContact CG2-CG1 3.47Å; V255-I270 VanDerWaalsContact CG2-CG1 3.47Å; L267-I270 HydrophobicContact CB-CD1 3.9Å; L267-I270 HydrophobicContact CD2-CD1 4.06Å; L267-I270 WeakPolarHBondContact O-CD1 3.49Å; L267-I270 VanDerWaalsContact O-CG1 3.3Å; L267-I270 WeakPolarHBondContact O-CG1 3.5Å; L267-I270 PolarHBondContact O-N 2.97Å; S268-I270 PolarHBondContact O-N 3.3Å; I270-R272 VanDerWaalsContact C-N 3.29Å; I270-R272 HydrophobicContact CB-CG 4.37Å; I270-R272 HydrophobicContact CG2-CG 3.78Å; I270-R272 PolarHBondContact O-N 3.39Å; I270-E299 HydrophobicContact CD1-CB 3.87Å; I270-E299 HydrophobicContact CD1-CG 4.11Å; I270-E299 WeakPolarHBondContact CD1-OE2 3.47Å; I270-I303 HydrophobicContact CD1-CD1 3.99Å
271E83.3Confident73Confident63 Ų6368.8 Ų68.829%0.29440%0.404SS..  trans-82.370.5177.9-69.2171.4177.800111.6Q205 Q251 P254 A269 G273 H274Q205-E271 PolarHBondContact NE2-OE1 2.98Å; Q205-E271 PolarHBondContact NE2-OE2 3.09Å; Q251-E271 PolarHBondContact O-N 3.43Å; P254-E271 HydrophobicContact CG-CG 3.86Å; A269-E271 PolarHBondContact O-N 3.4Å; E271-G273 PolarHBondContact O-N 2.76Å; E271-H274 PolarHBondContact O-N 3.36Å; E271-H274 IonicContact OE2-CD2 3.75Å; E271-H274 PolarHBondContact OE2-CD2 3.19Å; E271-H274 IonicContact OE2-NE2 3.46Å
272R77Confident70.9Confident112 Ų11271 Ų7142%0.42342%0.421SS..G310 helixtrans-59.5-17.9-177.6-60.9180-178.188.66.1114.2L267 I270 H274 E299L267-R272 PolarHBondContact O-NH2 3.08Å; I270-R272 VanDerWaalsContact C-N 3.29Å; I270-R272 HydrophobicContact CB-CG 4.37Å; I270-R272 HydrophobicContact CG2-CG 3.78Å; I270-R272 PolarHBondContact O-N 3.39Å; R272-H274 VanDerWaalsContact C-N 3.3Å; R272-H274 PolarHBondContact O-N 3.27Å; R272-E299 IonicContact CZ-OE1 3.88Å; R272-E299 IonicContact CZ-OE2 3.93Å; R272-E299 IonicContact NE-OE1 3.97Å; R272-E299 PolarHBondContact NE-OE1 2.92Å; R272-E299 IonicContact NE-OE2 3.91Å; R272-E299 IonicContact NH2-OE1 3.73Å; R272-E299 IonicContact NH2-OE2 2.73Å; R272-E299 PolarHBondContact NH2-OE2 3.29Å
273G64.5Low68.6Low77 Ų7774.5 Ų74.579%0.79444%0.435SS*.G310 helixtrans-76.3-7179.200000115.4E271E271-G273 PolarHBondContact O-N 2.76Å
274H52.7Low66.4Low93 Ų9375.8 Ų75.843%0.43145%0.445SS..G310 helixtrans-103.816.7-176.1-66.9-47000114.7R250 E271 R272R250-H274 PolarHBondContact NH2-O 3.09Å; E271-H274 PolarHBondContact O-N 3.36Å; E271-H274 IonicContact OE2-CD2 3.75Å; E271-H274 PolarHBondContact OE2-CD2 3.19Å; E271-H274 IonicContact OE2-NE2 3.46Å; R272-H274 VanDerWaalsContact C-N 3.3Å; R272-H274 PolarHBondContact O-N 3.27Å
275L51Low64.1Low65 Ų6574 Ų7434%0.3444%0.442SS..  trans-54.5134.9168.9-76.2160.6000109.7S277 L293L275-S277 PolarHBondContact O-N 2.96Å; L275-L293 HydrophobicContact CD1-CB 4.18Å; L275-L293 HydrophobicContact CD1-CD2 4.4Å
276P47.7Very low61.9Low62 Ų6274 Ų7440%0.40345%0.445SS..  trans-59.9128.8178.323.4-28000107.7A278P276-A278 PolarHBondContact O-N 3.05Å
277S39.4Very low59.7Low101 Ų10175.5 Ų75.571%0.70645%0.451SS*.  trans-61.469166.4-49.40000109.9L275 S279L275-S277 PolarHBondContact O-N 2.96Å; S277-S279 VanDerWaalsContact C-N 3.27Å; S277-S279 PolarHBondContact O-N 3.21Å
278A38.7Very low57.7Low65 Ų6579.1 Ų79.154%0.53748%0.483SS..SBendtrans-60.2105.5148.800000103.5P276 S282P276-A278 PolarHBondContact O-N 3.05Å; A278-S282 VanDerWaalsContact C-OG 3.31Å; A278-S282 PolarHBondContact O-OG 3.3Å
279S46.3Very low56Low76 Ų7678.6 Ų78.653%0.53148%0.48SS..  trans14121.1177.960.40000115S277 L281 S282S277-S279 VanDerWaalsContact C-N 3.27Å; S277-S279 PolarHBondContact O-N 3.21Å; S279-L281 CarbonylContact O-C 3.45Å; S279-L281 WeakPolarHBondContact O-CA 3.26Å; S279-L281 PolarHBondContact O-N 2.87Å; S279-S282 PolarHBondContact O-N 3.49Å; S279-S282 PolarHBondContact O-OG 3.37Å; S279-S282 PolarHBondContact OG-OG 3.03Å
280S49.3Very low53.4Low88 Ų8879.9 Ų79.962%0.61550%0.496SS*.Hα-helixtrans-41.9-19.5177.5-46.90000115.9V284S280-V284 WeakPolarHBondContact O-CB 3.4Å; S280-V284 WeakPolarHBondContact O-CG2 3.48Å; S280-V284 PolarHBondContact O-N 3.37Å; S280-V284 VanDerWaalsContact O-N 3.13Å
281L45.6Very low50.9Low123 Ų12386.8 Ų86.864%0.64453%0.526SS*.Hα-helixtrans-67.7-34.9168.9-74.3161.9000116.8S279 K285S279-L281 CarbonylContact O-C 3.45Å; S279-L281 WeakPolarHBondContact O-CA 3.26Å; S279-L281 PolarHBondContact O-N 2.87Å; L281-K285 VanDerWaalsContact O-CB 3.28Å; L281-K285 WeakPolarHBondContact O-CB 3.27Å; L281-K285 VanDerWaalsContact O-CG 3.26Å; L281-K285 WeakPolarHBondContact O-CG 3.38Å; L281-K285 PolarHBondContact O-N 3.01Å
282S52.1Low48.8Very low51 Ų5188.7 Ų88.736%0.35755%0.545SS..Hα-helixtrans-72.7-37.9177.320.30000111.9A278 S279 K285 A286A278-S282 VanDerWaalsContact C-OG 3.31Å; A278-S282 PolarHBondContact O-OG 3.3Å; S279-S282 PolarHBondContact O-N 3.49Å; S279-S282 PolarHBondContact O-OG 3.37Å; S279-S282 PolarHBondContact OG-OG 3.03Å; S282-K285 PolarHBondContact O-N 3.12Å; S282-A286 WeakPolarHBondContact O-CB 3.41Å; S282-A286 PolarHBondContact O-N 3.18Å
283E46.6Very low47.6Very low92 Ų9286.7 Ų86.743%0.4354%0.543SS..Hα-helixtrans-65.2-47.6173.1-171.7-179.3-17700110.7K285 A286 I287 L293E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 3.02Å; E283-A286 PolarHBondContact O-N 3.44Å; E283-I287 HydrophobicContact CG-CD1 4.07Å; E283-I287 WeakPolarHBondContact O-CB 3.49Å; E283-I287 VanDerWaalsContact O-CG1 3.25Å; E283-I287 WeakPolarHBondContact O-CG1 3.22Å; E283-I287 PolarHBondContact O-N 2.73Å; E283-L293 HydrophobicContact CG-CD1 4.31Å
284V48.7Very low47.7Very low87 Ų8784.8 Ų84.853%0.52752%0.516SS..Hα-helixtrans-63.7-35.9174.9172.50000111.7S280 A288S280-V284 WeakPolarHBondContact O-CB 3.4Å; S280-V284 WeakPolarHBondContact O-CG2 3.48Å; S280-V284 PolarHBondContact O-N 3.37Å; S280-V284 VanDerWaalsContact O-N 3.13Å; V284-A288 WeakPolarHBondContact O-CB 3.4Å; V284-A288 PolarHBondContact O-N 2.99Å
285K47.8Very low49.1Very low152 Ų15282.2 Ų82.266%0.66151%0.508SS*.Hα-helixtrans-69-38173.5-81.7178.3-179.9-178.30112.5L281 S282 E283 A288 S289L281-K285 VanDerWaalsContact O-CB 3.28Å; L281-K285 WeakPolarHBondContact O-CB 3.27Å; L281-K285 VanDerWaalsContact O-CG 3.26Å; L281-K285 WeakPolarHBondContact O-CG 3.38Å; L281-K285 PolarHBondContact O-N 3.01Å; S282-K285 PolarHBondContact O-N 3.12Å; E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 3.02Å; K285-A288 PolarHBondContact O-N 3.2Å; K285-S289 WeakPolarHBondContact O-CB 3.34Å; K285-S289 PolarHBondContact O-N 3.43Å; K285-S289 PolarHBondContact O-OG 3.02Å
286A49.7Very low50.8Low24 Ų2481.7 Ų81.720%0.19851%0.509CS..Hα-helixtrans-63.2-48.8174.800000110.6S282 E283 S289 G290 K291 L293S282-A286 WeakPolarHBondContact O-CB 3.41Å; S282-A286 PolarHBondContact O-N 3.18Å; E283-A286 PolarHBondContact O-N 3.44Å; A286-S289 WeakPolarHBondContact CA-OG 3.49Å; A286-S289 CarbonylContact O-C 3.6Å; A286-S289 PolarHBondContact O-N 3.43Å; A286-S289 VanDerWaalsContact O-N 3.13Å; A286-S289 PolarHBondContact O-OG 3.28Å; A286-G290 PolarHBondContact O-N 3.37Å; A286-G290 VanDerWaalsContact O-N 3.15Å; A286-K291 PolarHBondContact O-N 2.89Å; A286-K291 VanDerWaalsContact O-N 3.14Å; A286-L293 HydrophobicContact CB-CD2 4.34Å
287I47.9Very low52.8Low109 Ų10980.5 Ų80.556%0.55950%0.499SS*.Hα-helixtrans-60.5-46.5174.8-65166.8000111.2E283 S289 G290E283-I287 HydrophobicContact CG-CD1 4.07Å; E283-I287 WeakPolarHBondContact O-CB 3.49Å; E283-I287 VanDerWaalsContact O-CG1 3.25Å; E283-I287 WeakPolarHBondContact O-CG1 3.22Å; E283-I287 PolarHBondContact O-N 2.73Å; I287-S289 PolarHBondContact O-N 2.92Å; I287-G290 PolarHBondContact O-N 3.03Å; I287-G290 VanDerWaalsContact O-N 3.14Å
288A51.2Low55.3Low88 Ų8880.2 Ų80.273%0.72749%0.486SS*.Hα-helixtrans-67.2-23.6177.300000113.2V284 K285V284-A288 WeakPolarHBondContact O-CB 3.4Å; V284-A288 PolarHBondContact O-N 2.99Å; K285-A288 PolarHBondContact O-N 3.2Å
289S54.5Low57.9Low73 Ų7377.1 Ų77.151%0.5146%0.461SS..THydrogen-bonded Turntrans-89.21.1174.371.30000114.1K285 A286 I287 K291K285-S289 WeakPolarHBondContact O-CB 3.34Å; K285-S289 PolarHBondContact O-N 3.43Å; K285-S289 PolarHBondContact O-OG 3.02Å; A286-S289 WeakPolarHBondContact CA-OG 3.49Å; A286-S289 CarbonylContact O-C 3.6Å; A286-S289 PolarHBondContact O-N 3.43Å; A286-S289 VanDerWaalsContact O-N 3.13Å; A286-S289 PolarHBondContact O-OG 3.28Å; I287-S289 PolarHBondContact O-N 2.92Å; S289-K291 PolarHBondContact O-N 3.37Å
290G36.1Very low60.2Low67 Ų6773.5 Ų73.569%0.69144%0.435SS*.THydrogen-bonded Turntrans706.9-179.500000115A286 I287 C292A286-G290 PolarHBondContact O-N 3.37Å; A286-G290 VanDerWaalsContact O-N 3.15Å; I287-G290 PolarHBondContact O-N 3.03Å; I287-G290 VanDerWaalsContact O-N 3.14Å; G290-C292 PolarHBondContact O-N 3.22Å; G290-C292 VanDerWaalsContact O-N 3.16Å
291K38.2Very low62.4Low155 Ų15570.3 Ų70.367%0.67441%0.412SS*.  trans-80.996.1172.9-67.9-171.8177.8-170.70108.2A286 S289 L293A286-K291 PolarHBondContact O-N 2.89Å; A286-K291 VanDerWaalsContact O-N 3.14Å; S289-K291 PolarHBondContact O-N 3.37Å; K291-L293 PolarHBondContact O-N 3.33Å
292C40Very low64.8Low103 Ų10367.7 Ų67.770%0.69640%0.397SS*.  trans-47.3132.5166.6-166.80000109G290 T294G290-C292 PolarHBondContact O-N 3.22Å; G290-C292 VanDerWaalsContact O-N 3.16Å; C292-T294 PolarHBondContact O-N 2.59Å
293L51.4Low66.9Low70 Ų7065.3 Ų65.337%0.36638%0.38SS..SBendtrans-62.4100177.8-64.8160000107.8L275 E283 A286 K291L275-L293 HydrophobicContact CD1-CB 4.18Å; L275-L293 HydrophobicContact CD1-CD2 4.4Å; E283-L293 HydrophobicContact CG-CD1 4.31Å; A286-L293 HydrophobicContact CB-CD2 4.34Å; K291-L293 PolarHBondContact O-N 3.33Å
294T65.9Low69.3Low36 Ų3661.2 Ų61.222%0.22136%0.361CS..SBendtrans50.4109.1-174.856.20000115.2C292 E298C292-T294 PolarHBondContact O-N 2.59Å; T294-E298 WeakPolarHBondContact CA-OE2 3.37Å
295S82.8Confident71.6Confident39 Ų3960.8 Ų60.827%0.27335%0.353SS..  trans-61.9149.5172.173.20000110L297 E298 E299S295-L297 PolarHBondContact O-N 3.37Å; S295-E298 PolarHBondContact N-OE2 3.09Å; S295-E298 WeakPolarHBondContact O-CB 3.3Å; S295-E298 PolarHBondContact O-N 2.88Å; S295-E298 WeakPolarHBondContact OG-CG 3.5Å; S295-E298 PolarHBondContact OG-N 3.11Å; S295-E298 VanDerWaalsContact OG-N 3.16Å; S295-E298 PolarHBondContact OG-OE2 3.28Å; S295-E299 PolarHBondContact O-N 3.1Å
296P86.9Confident73.9Confident55 Ų5554 Ų5436%0.35732%0.324SS..Hα-helixtrans-68-6.2178.328.3-35.1000113.2E299 A300 R326P296-E299 WeakPolarHBondContact CA-OE2 3.34Å; P296-A300 WeakPolarHBondContact O-CB 3.33Å; P296-A300 PolarHBondContact O-N 3.34Å; P296-R326 PolarHBondContact O-NH1 2.77Å
297L90.2Very high76.2Confident36 Ų3652.9 Ų52.919%0.18831%0.314CS..Hα-helixtrans-77-47165.8-70.1173.4000110.8S295 E299 A300 T301 L323 R326 T331 L335S295-L297 PolarHBondContact O-N 3.37Å; L297-E299 VanDerWaalsContact C-N 3.31Å; L297-E299 PolarHBondContact O-N 3.45Å; L297-A300 PolarHBondContact O-N 3.36Å; L297-A300 VanDerWaalsContact O-N 3.14Å; L297-T301 WeakPolarHBondContact O-CG2 3.28Å; L297-T301 PolarHBondContact O-N 3.34Å; L297-T301 PolarHBondContact O-OG1 2.95Å; L297-L323 HydrophobicContact CD2-CD2 3.78Å; L297-R326 HydrophobicContact CD2-CB 3.87Å; L297-R326 HydrophobicContact CD2-CG 4.43Å; L297-T331 HydrophobicContact CD1-CG2 3.56Å; L297-L335 HydrophobicContact CD2-CD2 4.42Å
298E91.1Very high78.5Confident95 Ų9553.2 Ų53.244%0.44431%0.309SS..Hα-helixtrans-57.6-46.1174.1-71.2166.4159.200110.4T294 S295 A300 T301 E302T294-E298 WeakPolarHBondContact CA-OE2 3.37Å; S295-E298 PolarHBondContact N-OE2 3.09Å; S295-E298 WeakPolarHBondContact O-CB 3.3Å; S295-E298 PolarHBondContact O-N 2.88Å; S295-E298 WeakPolarHBondContact OG-CG 3.5Å; S295-E298 PolarHBondContact OG-N 3.11Å; S295-E298 VanDerWaalsContact OG-N 3.16Å; S295-E298 PolarHBondContact OG-OE2 3.28Å; E298-A300 VanDerWaalsContact C-N 3.32Å; E298-A300 PolarHBondContact O-N 2.97Å; E298-T301 WeakPolarHBondContact CA-OG1 3.29Å; E298-T301 PolarHBondContact O-N 2.47Å; E298-T301 VanDerWaalsContact O-N 3.16Å; E298-T301 PolarHBondContact O-OG1 2.89Å; E298-E302 WeakPolarHBondContact O-CG 3.33Å; E298-E302 PolarHBondContact O-N 3.41Å
299E93.4Very high80.6Confident1 Ų154 Ų541%0.00530%0.295CS..Hα-helixtrans-54.9-46.3174.6-64.8175.1158.400111.8Y252 I270 R272 S295 P296 L297 E302 I303Y252-E299 HydrophobicContact CE1-CB 4.19Å; Y252-E299 HydrophobicContact CE1-CG 4.21Å; I270-E299 HydrophobicContact CD1-CB 3.87Å; I270-E299 HydrophobicContact CD1-CG 4.11Å; I270-E299 WeakPolarHBondContact CD1-OE2 3.47Å; R272-E299 IonicContact CZ-OE1 3.88Å; R272-E299 IonicContact CZ-OE2 3.93Å; R272-E299 IonicContact NE-OE1 3.97Å; R272-E299 PolarHBondContact NE-OE1 2.92Å; R272-E299 IonicContact NE-OE2 3.91Å; R272-E299 IonicContact NH2-OE1 3.73Å; R272-E299 IonicContact NH2-OE2 2.73Å; R272-E299 PolarHBondContact NH2-OE2 3.29Å; S295-E299 PolarHBondContact O-N 3.1Å; P296-E299 WeakPolarHBondContact CA-OE2 3.34Å; L297-E299 VanDerWaalsContact C-N 3.31Å; L297-E299 PolarHBondContact O-N 3.45Å; E299-E302 PolarHBondContact O-N 3.32Å; E299-I303 WeakPolarHBondContact O-CB 3.35Å; E299-I303 WeakPolarHBondContact O-CD1 3.49Å; E299-I303 WeakPolarHBondContact O-CG1 3.4Å; E299-I303 PolarHBondContact O-N 3.26Å
300A95.7Very high82.6Confident0 Ų050.5 Ų50.50%027%0.271CS..Hα-helixtrans-66.4-39.6178.800000112.5L267 P296 L297 E298 Y304 I322 L323L267-A300 HydrophobicContact CD1-CB 4.01Å; P296-A300 WeakPolarHBondContact O-CB 3.33Å; P296-A300 PolarHBondContact O-N 3.34Å; L297-A300 PolarHBondContact O-N 3.36Å; L297-A300 VanDerWaalsContact O-N 3.14Å; E298-A300 VanDerWaalsContact C-N 3.32Å; E298-A300 PolarHBondContact O-N 2.97Å; A300-Y304 VanDerWaalsContact O-CB 3.27Å; A300-Y304 WeakPolarHBondContact O-CB 3.13Å; A300-Y304 PolarHBondContact O-N 3.46Å; A300-I322 HydrophobicContact CB-CG2 4.48Å; A300-L323 HydrophobicContact CB-CD1 4.47Å; A300-L323 HydrophobicContact CB-CD2 3.68Å; A300-L323 HydrophobicContact CB-CG 3.9Å
301T95.1Very high85.4Confident21 Ų2151.7 Ų51.713%0.12926%0.262CS..Hα-helixtrans-67.1-36.5176.658.10000112.8L297 E298 Y304 Q305 L323 W338L297-T301 WeakPolarHBondContact O-CG2 3.28Å; L297-T301 PolarHBondContact O-N 3.34Å; L297-T301 PolarHBondContact O-OG1 2.95Å; E298-T301 WeakPolarHBondContact CA-OG1 3.29Å; E298-T301 PolarHBondContact O-N 2.47Å; E298-T301 VanDerWaalsContact O-N 3.16Å; E298-T301 PolarHBondContact O-OG1 2.89Å; T301-Y304 WeakPolarHBondContact O-CB 3.43Å; T301-Q305 WeakPolarHBondContact O-CG 3.27Å; T301-Q305 PolarHBondContact O-N 2.79Å; T301-L323 HydrophobicContact CG2-CD1 4.14Å; T301-L323 HydrophobicContact CG2-CD2 4.04Å; T301-W338 HydrophobicContact CG2-CD2 3.75Å; T301-W338 HydrophobicContact CG2-CE3 4.26Å; T301-W338 HydrophobicContact CG2-CG 4.12Å; T301-W338 HydrophobicContact CG2-CH2 4.35Å; T301-W338 HydrophobicContact CG2-CZ2 3.84Å
302E94.7Very high88.2Confident68 Ų6844.4 Ų44.432%0.31823%0.23SC..Hα-helixtrans-69.4-45.3176-71.9-179.6-164.200111Y252 E298 E299 Y304 Q305 I306Y252-E302 HydrophobicContact CE2-CB 3.9Å; Y252-E302 WeakPolarHBondContact CE2-OE2 3.37Å; Y252-E302 PolarHBondContact OH-OE2 3.1Å; E298-E302 WeakPolarHBondContact O-CG 3.33Å; E298-E302 PolarHBondContact O-N 3.41Å; E299-E302 PolarHBondContact O-N 3.32Å; E302-Y304 VanDerWaalsContact C-N 3.31Å; E302-Y304 PolarHBondContact O-N 3.06Å; E302-Q305 PolarHBondContact O-N 3.01Å; E302-I306 WeakPolarHBondContact O-CG1 3.38Å; E302-I306 PolarHBondContact O-N 3.15Å
303I96.9Very high90.9Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-64.1-37.7176.7-63.9166.2000110.9Y252 V255 L267 I270 E299 Q305 I306 G307 L315 C319Y252-I303 HydrophobicContact CD1-CD1 3.72Å; Y252-I303 HydrophobicContact CD1-CG1 3.77Å; Y252-I303 HydrophobicContact CD2-CG1 4.14Å; Y252-I303 HydrophobicContact CE1-CD1 4.22Å; Y252-I303 HydrophobicContact CE1-CG1 4.25Å; Y252-I303 HydrophobicContact CG-CD1 4.13Å; Y252-I303 HydrophobicContact CG-CG1 3.71Å; V255-I303 HydrophobicContact CB-CD1 4.47Å; V255-I303 HydrophobicContact CG1-CD1 4.33Å; V255-I303 HydrophobicContact CG2-CD1 4.46Å; L267-I303 HydrophobicContact CD2-CD1 3.56Å; I270-I303 HydrophobicContact CD1-CD1 3.99Å; E299-I303 WeakPolarHBondContact O-CB 3.35Å; E299-I303 WeakPolarHBondContact O-CD1 3.49Å; E299-I303 WeakPolarHBondContact O-CG1 3.4Å; E299-I303 PolarHBondContact O-N 3.26Å; I303-Q305 VanDerWaalsContact C-N 3.34Å; I303-Q305 PolarHBondContact O-N 3.01Å; I303-I306 PolarHBondContact O-N 3.17Å; I303-G307 PolarHBondContact O-N 2.81Å; I303-L315 HydrophobicContact CG2-CD1 3.53Å; I303-L315 HydrophobicContact CG2-CD2 4.13Å; I303-L315 HydrophobicContact CG2-CG 3.94Å; I303-C319 WeakPolarHBondContact CG2-SG 3.45Å
304Y97.5Very high93.1Very high7 Ų739.6 Ų39.63%0.02720%0.2CC..Hα-helixtrans-55.9-47.8172.6174-89.1000111.9A300 T301 E302 I306 G307 R308 V316 C319 E320 W338 H343 G344 S345A300-Y304 VanDerWaalsContact O-CB 3.27Å; A300-Y304 WeakPolarHBondContact O-CB 3.13Å; A300-Y304 PolarHBondContact O-N 3.46Å; T301-Y304 WeakPolarHBondContact O-CB 3.43Å; E302-Y304 VanDerWaalsContact C-N 3.31Å; E302-Y304 PolarHBondContact O-N 3.06Å; Y304-I306 VanDerWaalsContact C-N 3.32Å; Y304-I306 PolarHBondContact O-N 2.93Å; Y304-G307 PolarHBondContact O-N 3.21Å; Y304-R308 HydrophobicContact CD1-CG 4.36Å; Y304-R308 HydrophobicContact CE1-CG 3.89Å; Y304-R308 PolarHBondContact O-N 3.47Å; Y304-V316 HydrophobicContact CD2-CG1 3.83Å; Y304-V316 HydrophobicContact CE2-CB 4.39Å; Y304-V316 HydrophobicContact CE2-CG1 3.29Å; Y304-C319 HydrophobicContact CD2-CB 4.23Å; Y304-E320 HydrophobicContact CD2-CG 3.96Å; Y304-E320 HydrophobicContact CE2-CG 3.6Å; Y304-E320 WeakPolarHBondContact CE2-OE1 3.46Å; Y304-W338 AromaticContact CD1-CH2 3.5Å; Y304-W338 HydrophobicContact CD1-CH2 3.5Å; Y304-W338 VanDerWaalsContact CD1-CH2 3.5Å; Y304-W338 AromaticContact CD1-CZ2 3.43Å; Y304-W338 HydrophobicContact CD1-CZ2 3.43Å; Y304-W338 VanDerWaalsContact CD1-CZ2 3.43Å; Y304-W338 HydrophobicContact CD2-CH2 4.2Å; Y304-W338 AromaticContact CE1-CH2 3.77Å; Y304-W338 HydrophobicContact CE1-CH2 3.77Å; Y304-W338 AromaticContact CE1-CZ2 3.94Å; Y304-W338 HydrophobicContact CE1-CZ2 3.94Å; Y304-W338 HydrophobicContact CE2-CH2 4.43Å; Y304-W338 AromaticContact CG-CH2 3.74Å; Y304-W338 HydrophobicContact CG-CH2 3.74Å; Y304-W338 AromaticContact CG-CZ2 3.95Å; Y304-W338 HydrophobicContact CG-CZ2 3.95Å; Y304-H343 WeakPolarHBondContact CE1-O 3.27Å; Y304-G344 PolarHBondContact OH-O 3.36Å; Y304-S345 VanDerWaalsContact OH-CA 3.25Å; Y304-S345 WeakPolarHBondContact OH-CA 3.34Å; Y304-S345 WeakPolarHBondContact OH-CB 3.44Å
305Q96.6Very high94.6Very high77 Ų7737.9 Ų37.936%0.3619%0.19SC..Hα-helixtrans-64.2-38178.3-70.1172.77.800111.8T301 E302 I303 R308 F309 H343T301-Q305 WeakPolarHBondContact O-CG 3.27Å; T301-Q305 PolarHBondContact O-N 2.79Å; E302-Q305 PolarHBondContact O-N 3.01Å; I303-Q305 VanDerWaalsContact C-N 3.34Å; I303-Q305 PolarHBondContact O-N 3.01Å; Q305-R308 PolarHBondContact O-N 2.86Å; Q305-F309 WeakPolarHBondContact O-CB 3.43Å; Q305-F309 PolarHBondContact O-N 3.27Å; Q305-H343 PolarHBondContact NE2-CD2 2.81Å; Q305-H343 PolarHBondContact NE2-NE2 2.91Å; Q305-H343 VanDerWaalsContact NE2-NE2 3.12Å
306I96.5Very high95.3Very high11 Ų1137 Ų376%0.05618%0.182CC..Hα-helixtrans-63.5-44173.3-63.7164.4000110.3I248 Y252 I256 E302 I303 Y304 R308 F309 L310I248-I306 HydrophobicContact CD1-CG2 4.4Å; I248-I306 HydrophobicContact CG1-CG2 4.25Å; I248-I306 HydrophobicContact CG2-CD1 4.39Å; I248-I306 HydrophobicContact CG2-CG2 4.31Å; Y252-I306 HydrophobicContact CD2-CD1 3.79Å; I256-I306 HydrophobicContact CD1-CD1 4.23Å; I256-I306 HydrophobicContact CD1-CG2 3.75Å; I256-I306 HydrophobicContact CG1-CG2 4.47Å; E302-I306 WeakPolarHBondContact O-CG1 3.38Å; E302-I306 PolarHBondContact O-N 3.15Å; I303-I306 PolarHBondContact O-N 3.17Å; Y304-I306 VanDerWaalsContact C-N 3.32Å; Y304-I306 PolarHBondContact O-N 2.93Å; I306-R308 VanDerWaalsContact C-N 3.32Å; I306-R308 PolarHBondContact O-N 3.32Å; I306-F309 WeakPolarHBondContact O-CB 3.5Å; I306-F309 PolarHBondContact O-N 3.34Å; I306-F309 VanDerWaalsContact O-N 3.15Å; I306-L310 HydrophobicContact CG2-CD1 3.78Å; I306-L310 HydrophobicContact CG2-CG 4.13Å; I306-L310 WeakPolarHBondContact O-CB 3.42Å; I306-L310 VanDerWaalsContact O-CG 3.29Å; I306-L310 WeakPolarHBondContact O-CG 3.49Å; I306-L310 PolarHBondContact O-N 3.46Å
307G97.5Very high95.8Very high0 Ų036.1 Ų36.10%017%0.174CC..Hα-helixtrans-58.3-42.5175.100000112.6I303 Y304 L310 D311 F312I303-G307 PolarHBondContact O-N 2.81Å; Y304-G307 PolarHBondContact O-N 3.21Å; G307-L310 PolarHBondContact O-N 3.47Å; G307-D311 PolarHBondContact O-N 3.32Å; G307-D311 VanDerWaalsContact O-N 3.14Å; G307-F312 PolarHBondContact O-N 2.92Å
308R96Very high96.1Very high116 Ų11635 Ų3544%0.43817%0.171SC..Hα-helixtrans-63.8-42.6173.4-73.2-168.265-178.3-0.1112.2Y304 Q305 I306 D311 V316 A342 H343 G344Y304-R308 HydrophobicContact CD1-CG 4.36Å; Y304-R308 HydrophobicContact CE1-CG 3.89Å; Y304-R308 PolarHBondContact O-N 3.47Å; Q305-R308 PolarHBondContact O-N 2.86Å; I306-R308 VanDerWaalsContact C-N 3.32Å; I306-R308 PolarHBondContact O-N 3.32Å; R308-D311 PolarHBondContact O-N 3.43Å; R308-V316 HydrophobicContact CG-CG1 4.37Å; R308-V316 HydrophobicContact CG-CG2 3.93Å; R308-A342 PolarHBondContact NH1-O 2.92Å; R308-A342 VanDerWaalsContact NH1-O 3.1Å; R308-H343 VanDerWaalsContact NH1-CA 3.26Å; R308-H343 PolarHBondContact NH1-O 2.89Å; R308-G344 PolarHBondContact NH1-O 3.4Å
309F95.8Very high96.4Very high103 Ų10330.5 Ų30.545%0.45215%0.15SC..Hα-helixtrans-64.3-39.9178.3172.9-102000112.5F220 V247 Q305 I306 D311F220-F309 HydrophobicContact CD2-CE1 4.28Å; F220-F309 HydrophobicContact CD2-CZ 4.24Å; F220-F309 HydrophobicContact CE1-CE1 4.14Å; F220-F309 AromaticContact CE2-CE1 3.66Å; F220-F309 HydrophobicContact CE2-CE1 3.66Å; F220-F309 HydrophobicContact CE2-CE2 4.39Å; F220-F309 AromaticContact CE2-CZ 3.49Å; F220-F309 HydrophobicContact CE2-CZ 3.49Å; F220-F309 VanDerWaalsContact CE2-CZ 3.49Å; F220-F309 AromaticContact CZ-CE1 3.56Å; F220-F309 HydrophobicContact CZ-CE1 3.56Å; F220-F309 AromaticContact CZ-CZ 3.77Å; F220-F309 HydrophobicContact CZ-CZ 3.77Å; V247-F309 HydrophobicContact CG1-CE1 4.23Å; V247-F309 HydrophobicContact CG1-CZ 4.36Å; Q305-F309 WeakPolarHBondContact O-CB 3.43Å; Q305-F309 PolarHBondContact O-N 3.27Å; I306-F309 WeakPolarHBondContact O-CB 3.5Å; I306-F309 PolarHBondContact O-N 3.34Å; I306-F309 VanDerWaalsContact O-N 3.15Å; F309-D311 PolarHBondContact O-N 2.96Å
310L96.1Very high96.6Very high1 Ų131.1 Ų31.11%0.00515%0.153CC..THydrogen-bonded Turntrans-76.1-6.8176.9-65.6178.3000113.1S218 F220 F221 I248 I256 F260 I306 G307 F312S218-L310 PolarHBondContact OG-O 2.74Å; F220-L310 HydrophobicContact CD1-CD2 3.41Å; F220-L310 VanDerWaalsContact CD1-CD2 3.41Å; F220-L310 HydrophobicContact CE1-CD2 3.67Å; F220-L310 HydrophobicContact CG-CD2 4.17Å; F221-L310 HydrophobicContact CD2-CD2 4.34Å; F221-L310 HydrophobicContact CE2-CD1 4.16Å; F221-L310 HydrophobicContact CE2-CD2 3.7Å; F221-L310 HydrophobicContact CE2-CG 4.49Å; F221-L310 HydrophobicContact CZ-CD2 4.11Å; I248-L310 HydrophobicContact CD1-CD2 4.08Å; I256-L310 HydrophobicContact CG2-CD1 3.97Å; F260-L310 HydrophobicContact CE2-CD1 4.38Å; I306-L310 HydrophobicContact CG2-CD1 3.78Å; I306-L310 HydrophobicContact CG2-CG 4.13Å; I306-L310 WeakPolarHBondContact O-CB 3.42Å; I306-L310 VanDerWaalsContact O-CG 3.29Å; I306-L310 WeakPolarHBondContact O-CG 3.49Å; I306-L310 PolarHBondContact O-N 3.46Å; G307-L310 PolarHBondContact O-N 3.47Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 HydrophobicContact CB-CB 4.14Å
311D96Very high96.6Very high92 Ų9234.7 Ų34.749%0.49217%0.172SC..THydrogen-bonded Turntrans49.755.1-169.7-168.620.6000110.8P219 G307 R308 F309 P313P219-D311 WeakPolarHBondContact CD-O 3.42Å; G307-D311 PolarHBondContact O-N 3.32Å; G307-D311 VanDerWaalsContact O-N 3.14Å; R308-D311 PolarHBondContact O-N 3.43Å; F309-D311 PolarHBondContact O-N 2.96Å; D311-P313 WeakPolarHBondContact O-CD 3.45Å
312F97.1Very high96.7Very high2 Ų235 Ų351%0.00917%0.173CC..  trans-12188.3-175.7-176.7-148.6000111.2R217 A259 F260 G307 L310 I314 L315 V316R217-F312 HydrophobicContact CB-CE2 4.41Å; R217-F312 VanDerWaalsContact CZ-CE2 3.47Å; R217-F312 WeakPolarHBondContact O-CD2 3.48Å; A259-F312 HydrophobicContact CB-CE1 3.83Å; A259-F312 HydrophobicContact CB-CZ 4.28Å; A259-F312 WeakPolarHBondContact O-CZ 3.29Å; F260-F312 HydrophobicContact CD2-CE1 4.41Å; F260-F312 HydrophobicContact CE1-CD1 4.49Å; F260-F312 HydrophobicContact CE2-CD1 4.19Å; F260-F312 HydrophobicContact CE2-CE1 4.45Å; F260-F312 HydrophobicContact CG-CE1 4.48Å; F260-F312 HydrophobicContact CZ-CD1 4.12Å; F260-F312 HydrophobicContact CZ-CG 4.41Å; G307-F312 PolarHBondContact O-N 2.92Å; L310-F312 VanDerWaalsContact C-N 3.32Å; L310-F312 HydrophobicContact CB-CB 4.14Å; F312-I314 HydrophobicContact CE2-CB 3.71Å; F312-I314 HydrophobicContact CE2-CG1 4.27Å; F312-I314 HydrophobicContact CZ-CB 3.84Å; F312-I314 HydrophobicContact CZ-CG2 4.19Å; F312-I314 PolarHBondContact O-N 3.19Å; F312-L315 HydrophobicContact CB-CB 4.48Å; F312-L315 HydrophobicContact CD1-CB 3.35Å; F312-L315 HydrophobicContact CD1-CD2 4.03Å; F312-L315 HydrophobicContact CD1-CG 4.32Å; F312-L315 HydrophobicContact CE1-CB 3.63Å; F312-L315 HydrophobicContact CG-CB 4.06Å; F312-L315 HydrophobicContact CZ-CB 4.49Å; F312-L315 PolarHBondContact O-N 3.49Å; F312-V316 WeakPolarHBondContact O-CG2 3.31Å; F312-V316 PolarHBondContact O-N 3.33Å
313P95.7Very high96.8Very high46 Ų4631.8 Ų31.830%0.29916%0.158SC..Hα-helixtrans-59.8-35.8-169.2-28.736.4000115.5A37 D311 L315 V316 Q317A37-P313 HydrophobicContact CB-CB 3.7Å; D311-P313 WeakPolarHBondContact O-CD 3.45Å; P313-L315 VanDerWaalsContact C-N 3.33Å; P313-L315 PolarHBondContact O-N 2.94Å; P313-V316 WeakPolarHBondContact O-CB 3.46Å; P313-V316 PolarHBondContact O-N 3.27Å; P313-Q317 WeakPolarHBondContact O-CB 3.36Å; P313-Q317 WeakPolarHBondContact O-CG 3.43Å; P313-Q317 PolarHBondContact O-N 2.85Å
314I97.1Very high96.7Very high25 Ų2533 Ų3313%0.12817%0.168CC..Hα-helixtrans-63.2-40.9179.2-67.8-69.7000111.1A37 P38 D263 F312 G318A37-I314 HydrophobicContact CB-CD1 3.51Å; A37-I314 HydrophobicContact CB-CG1 4Å; P38-I314 VanDerWaalsContact O-CG1 3.31Å; P38-I314 WeakPolarHBondContact O-CG1 3.47Å; D263-I314 HydrophobicContact CB-CG2 4.45Å; F312-I314 HydrophobicContact CE2-CB 3.71Å; F312-I314 HydrophobicContact CE2-CG1 4.27Å; F312-I314 HydrophobicContact CZ-CB 3.84Å; F312-I314 HydrophobicContact CZ-CG2 4.19Å; F312-I314 PolarHBondContact O-N 3.19Å; I314-G318 PolarHBondContact O-N 2.79Å
315L97.9Very high96.6Very high0 Ų037.1 Ų37.10%020%0.198CC..Hα-helixtrans-66.5-40.9176.4-176.561000111.5I256 A259 V265 I303 F312 P313 C319I256-L315 HydrophobicContact CG1-CD2 4Å; I256-L315 HydrophobicContact CG2-CD2 4.31Å; A259-L315 HydrophobicContact CB-CD1 4.23Å; V265-L315 HydrophobicContact CG1-CD1 4.1Å; V265-L315 HydrophobicContact CG2-CD1 3.77Å; I303-L315 HydrophobicContact CG2-CD1 3.53Å; I303-L315 HydrophobicContact CG2-CD2 4.13Å; I303-L315 HydrophobicContact CG2-CG 3.94Å; F312-L315 HydrophobicContact CB-CB 4.48Å; F312-L315 HydrophobicContact CD1-CB 3.35Å; F312-L315 HydrophobicContact CD1-CD2 4.03Å; F312-L315 HydrophobicContact CD1-CG 4.32Å; F312-L315 HydrophobicContact CE1-CB 3.63Å; F312-L315 HydrophobicContact CG-CB 4.06Å; F312-L315 HydrophobicContact CZ-CB 4.49Å; F312-L315 PolarHBondContact O-N 3.49Å; P313-L315 VanDerWaalsContact C-N 3.33Å; P313-L315 PolarHBondContact O-N 2.94Å; L315-C319 PolarHBondContact O-N 3.2Å; L315-C319 VanDerWaalsContact O-N 3.09Å; L315-C319 PolarHBondContact O-SG 3.49Å
316V97.5Very high96.5Very high20 Ų2037.5 Ų37.512%0.12120%0.196CC..Hα-helixtrans-59.7-53.5176.2175.10000110.4Y304 R308 F312 P313 C319 E320Y304-V316 HydrophobicContact CD2-CG1 3.83Å; Y304-V316 HydrophobicContact CE2-CB 4.39Å; Y304-V316 HydrophobicContact CE2-CG1 3.29Å; R308-V316 HydrophobicContact CG-CG1 4.37Å; R308-V316 HydrophobicContact CG-CG2 3.93Å; F312-V316 WeakPolarHBondContact O-CG2 3.31Å; F312-V316 PolarHBondContact O-N 3.33Å; P313-V316 WeakPolarHBondContact O-CB 3.46Å; P313-V316 PolarHBondContact O-N 3.27Å; V316-C319 PolarHBondContact O-N 3.32Å; V316-E320 WeakPolarHBondContact O-CG 3.15Å; V316-E320 PolarHBondContact O-N 3.14Å
317Q97Very high96.4Very high37 Ų3738.1 Ų38.117%0.17320%0.199CC..Hα-helixtrans-66.6-39.5-178.2-70.8-175.50.100112.7R34 P35 P313 C319 E320 D321R34-Q317 PolarHBondContact NH1-O 2.89Å; P35-Q317 PolarHBondContact O-NE2 3.32Å; P313-Q317 WeakPolarHBondContact O-CB 3.36Å; P313-Q317 WeakPolarHBondContact O-CG 3.43Å; P313-Q317 PolarHBondContact O-N 2.85Å; Q317-C319 VanDerWaalsContact C-N 3.28Å; Q317-C319 PolarHBondContact O-N 3.32Å; Q317-E320 WeakPolarHBondContact O-CB 3.38Å; Q317-E320 PolarHBondContact O-N 3.48Å; Q317-E320 VanDerWaalsContact O-N 3.17Å; Q317-D321 VanDerWaalsContact O-CG 3.24Å; Q317-D321 PolarHBondContact O-N 2.88Å
318G97.2Very high96.2Very high14 Ų1441.3 Ų41.314%0.14422%0.216CC..Hα-helixtrans-61.7-37.5175.100000112.4I314 D321 I322I314-G318 PolarHBondContact O-N 2.79Å; G318-D321 PolarHBondContact O-N 3.39Å; G318-I322 WeakPolarHBondContact O-CD1 2.98Å; G318-I322 VanDerWaalsContact O-CG1 3.28Å; G318-I322 WeakPolarHBondContact O-CG1 3.45Å; G318-I322 PolarHBondContact O-N 2.95Å; G318-I322 VanDerWaalsContact O-N 3.14Å
319C97.3Very high96Very high0 Ų039.1 Ų39.10%021%0.208CC..Hα-helixtrans-67.6-41.5173.1-65.70000112.2I303 Y304 L315 V316 Q317 D321 I322 L323I303-C319 WeakPolarHBondContact CG2-SG 3.45Å; Y304-C319 HydrophobicContact CD2-CB 4.23Å; L315-C319 PolarHBondContact O-N 3.2Å; L315-C319 VanDerWaalsContact O-N 3.09Å; L315-C319 PolarHBondContact O-SG 3.49Å; V316-C319 PolarHBondContact O-N 3.32Å; Q317-C319 VanDerWaalsContact C-N 3.28Å; Q317-C319 PolarHBondContact O-N 3.32Å; C319-D321 VanDerWaalsContact C-N 3.33Å; C319-D321 PolarHBondContact O-N 3.34Å; C319-I322 PolarHBondContact O-N 3.27Å; C319-L323 WeakPolarHBondContact O-CB 3.32Å; C319-L323 VanDerWaalsContact O-CG 3.26Å; C319-L323 WeakPolarHBondContact O-CG 3.47Å; C319-L323 PolarHBondContact O-N 3.43Å
320E97Very high95.7Very high13 Ų1340.6 Ų40.66%0.06122%0.221CC..Hα-helixtrans-58.3-44.3174.2-71.1174.3158.400112.1R34 Y304 V316 Q317 I322 L323 A324 S345 Y347R34-E320 WeakPolarHBondContact CD-OE2 3.32Å; R34-E320 IonicContact CZ-OE2 3.47Å; R34-E320 IonicContact NE-OE2 3.45Å; R34-E320 IonicContact NH1-OE2 2.77Å; R34-E320 PolarHBondContact NH1-OE2 3.15Å; R34-E320 VanDerWaalsContact NH1-OE2 3.1Å; Y304-E320 HydrophobicContact CD2-CG 3.96Å; Y304-E320 HydrophobicContact CE2-CG 3.6Å; Y304-E320 WeakPolarHBondContact CE2-OE1 3.46Å; V316-E320 WeakPolarHBondContact O-CG 3.15Å; V316-E320 PolarHBondContact O-N 3.14Å; Q317-E320 WeakPolarHBondContact O-CB 3.38Å; Q317-E320 PolarHBondContact O-N 3.48Å; Q317-E320 VanDerWaalsContact O-N 3.17Å; E320-I322 VanDerWaalsContact C-N 3.33Å; E320-I322 PolarHBondContact O-N 2.89Å; E320-L323 PolarHBondContact O-N 3.07Å; E320-A324 VanDerWaalsContact O-CB 3.27Å; E320-A324 WeakPolarHBondContact O-CB 3.28Å; E320-A324 PolarHBondContact O-N 2.8Å; E320-S345 VanDerWaalsContact CD-OG 3.31Å; E320-S345 WeakPolarHBondContact OE1-CB 3.49Å; E320-S345 PolarHBondContact OE1-OG 3.19Å; E320-Y347 HydrophobicContact CB-CD1 3.79Å; E320-Y347 HydrophobicContact CB-CE1 3.97Å; E320-Y347 HydrophobicContact CG-CD1 4.11Å
321D96.5Very high95.6Very high75 Ų7541.5 Ų41.540%0.40123%0.227SC..Hα-helixtrans-63.2-41.3179.3-67.3-14000111.1R34 Q317 G318 C319 S325R34-D321 IonicContact CZ-OD1 2.63Å; R34-D321 IonicContact NH1-OD1 3.36Å; R34-D321 PolarHBondContact NH1-OD1 3.42Å; R34-D321 IonicContact NH2-OD1 2.63Å; R34-D321 PolarHBondContact NH2-OD1 3.29Å; R34-D321 IonicContact NH2-OD2 3.47Å; Q317-D321 VanDerWaalsContact O-CG 3.24Å; Q317-D321 PolarHBondContact O-N 2.88Å; G318-D321 PolarHBondContact O-N 3.39Å; C319-D321 VanDerWaalsContact C-N 3.33Å; C319-D321 PolarHBondContact O-N 3.34Å; D321-S325 VanDerWaalsContact O-CB 3.29Å; D321-S325 WeakPolarHBondContact O-CB 3.42Å; D321-S325 PolarHBondContact O-N 2.68Å; D321-S325 PolarHBondContact O-OG 3.02Å
322I96.4Very high95.5Very high29 Ų2937.1 Ų37.115%0.14920%0.203CC..Hα-helixtrans-64.3-45.2175.4-66.5158.2000110.9V265 L267 A300 G318 C319 E320 S325 R326V265-I322 HydrophobicContact CB-CD1 4.28Å; V265-I322 HydrophobicContact CG1-CD1 3.83Å; L267-I322 HydrophobicContact CD1-CD1 4.17Å; L267-I322 HydrophobicContact CD1-CG2 3.74Å; L267-I322 HydrophobicContact CD2-CD1 4.22Å; L267-I322 HydrophobicContact CG-CD1 3.87Å; A300-I322 HydrophobicContact CB-CG2 4.48Å; G318-I322 WeakPolarHBondContact O-CD1 2.98Å; G318-I322 VanDerWaalsContact O-CG1 3.28Å; G318-I322 WeakPolarHBondContact O-CG1 3.45Å; G318-I322 PolarHBondContact O-N 2.95Å; G318-I322 VanDerWaalsContact O-N 3.14Å; C319-I322 PolarHBondContact O-N 3.27Å; E320-I322 VanDerWaalsContact C-N 3.33Å; E320-I322 PolarHBondContact O-N 2.89Å; I322-S325 PolarHBondContact O-N 2.91Å; I322-S325 PolarHBondContact O-OG 2.84Å; I322-R326 PolarHBondContact O-N 3.23Å
323L96.5Very high95.4Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-64-45.9178.6-70.2169000111.3L297 A300 T301 C319 E320 S325 R326 L327 L335 W338 L348L297-L323 HydrophobicContact CD2-CD2 3.78Å; A300-L323 HydrophobicContact CB-CD1 4.47Å; A300-L323 HydrophobicContact CB-CD2 3.68Å; A300-L323 HydrophobicContact CB-CG 3.9Å; T301-L323 HydrophobicContact CG2-CD1 4.14Å; T301-L323 HydrophobicContact CG2-CD2 4.04Å; C319-L323 WeakPolarHBondContact O-CB 3.32Å; C319-L323 VanDerWaalsContact O-CG 3.26Å; C319-L323 WeakPolarHBondContact O-CG 3.47Å; C319-L323 PolarHBondContact O-N 3.43Å; E320-L323 PolarHBondContact O-N 3.07Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 2.99Å; L323-R326 PolarHBondContact O-N 2.95Å; L323-R326 VanDerWaalsContact O-N 3.13Å; L323-L327 PolarHBondContact O-N 3.31Å; L323-L335 HydrophobicContact CD2-CD2 3.97Å; L323-W338 HydrophobicContact CD1-CH2 3.87Å; L323-W338 HydrophobicContact CD1-CZ3 3.88Å; L323-L348 HydrophobicContact CB-CD1 4.03Å; L323-L348 HydrophobicContact CB-CD2 3.76Å; L323-L348 HydrophobicContact CD1-CD2 3.95Å; L323-L348 HydrophobicContact CG-CD2 4.4Å
324A95.7Very high95.2Very high26 Ų2640 Ų4022%0.21523%0.226CC..Hα-helixtrans-63-37.5177.200000111.9E320 R326 L327 Y347 L348E320-A324 VanDerWaalsContact O-CB 3.27Å; E320-A324 WeakPolarHBondContact O-CB 3.28Å; E320-A324 PolarHBondContact O-N 2.8Å; A324-R326 PolarHBondContact O-N 3.37Å; A324-L327 VanDerWaalsContact O-CB 3.27Å; A324-L327 WeakPolarHBondContact O-CB 3.42Å; A324-L327 PolarHBondContact O-N 2.63Å; A324-L327 VanDerWaalsContact O-N 3.16Å; A324-Y347 HydrophobicContact CB-CE1 4.43Å; A324-L348 HydrophobicContact CB-CD1 3.98Å
325S95.3Very high95.1Very high93 Ų9339.1 Ų39.165%0.6522%0.222SC*.Hα-helixtrans-64.7-19.4176.577.20000114D321 I322 L323D321-S325 VanDerWaalsContact O-CB 3.29Å; D321-S325 WeakPolarHBondContact O-CB 3.42Å; D321-S325 PolarHBondContact O-N 2.68Å; D321-S325 PolarHBondContact O-OG 3.02Å; I322-S325 PolarHBondContact O-N 2.91Å; I322-S325 PolarHBondContact O-OG 2.84Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 2.99Å
326R94.3Very high95.1Very high85 Ų8539.3 Ų39.332%0.32122%0.222SC..THydrogen-bonded Turntrans-1033.8178.9-68.6-174.1-179.9158.34.2113.5P296 L297 I322 L323 A324 D328 T331P296-R326 PolarHBondContact O-NH1 2.77Å; L297-R326 HydrophobicContact CD2-CB 3.87Å; L297-R326 HydrophobicContact CD2-CG 4.43Å; I322-R326 PolarHBondContact O-N 3.23Å; L323-R326 PolarHBondContact O-N 2.95Å; L323-R326 VanDerWaalsContact O-N 3.13Å; A324-R326 PolarHBondContact O-N 3.37Å; R326-D328 PolarHBondContact O-N 3.13Å; R326-T331 PolarHBondContact O-OG1 3.46Å
327L94.8Very high95Very high24 Ų2440.1 Ų40.113%0.12623%0.234CC..  trans-67.2118.6178.9-176.263.2000110.3L323 A324 L332 L335 C351 F355L323-L327 PolarHBondContact O-N 3.31Å; A324-L327 VanDerWaalsContact O-CB 3.27Å; A324-L327 WeakPolarHBondContact O-CB 3.42Å; A324-L327 PolarHBondContact O-N 2.63Å; A324-L327 VanDerWaalsContact O-N 3.16Å; L327-L332 HydrophobicContact CD1-CB 4.42Å; L327-L332 HydrophobicContact CD1-CD1 3.97Å; L327-L335 HydrophobicContact CB-CD1 4.47Å; L327-L335 HydrophobicContact CD1-CD1 3.85Å; L327-C351 HydrophobicContact CD2-CB 4.3Å; L327-F355 HydrophobicContact CD2-CB 3.51Å; L327-F355 HydrophobicContact CD2-CD2 4.1Å; L327-F355 HydrophobicContact CD2-CG 3.82Å; L327-F355 HydrophobicContact CG-CB 4.18Å; L327-F355 HydrophobicContact CG-CD1 4.35Å; L327-F355 HydrophobicContact CG-CD2 4.03Å; L327-F355 HydrophobicContact CG-CG 3.92Å
328D93Very high94.9Very high66 Ų6639.7 Ų39.735%0.35323%0.231SC..SBendtrans-147.2-177.1177.163.715.7000110.1R326 D330 T331 L332R326-D328 PolarHBondContact O-N 3.13Å; D328-D330 VanDerWaalsContact C-N 3.28Å; D328-D330 PolarHBondContact O-N 3.42Å; D328-D330 PolarHBondContact OD1-N 3.46Å; D328-D330 VanDerWaalsContact OD1-N 3.15Å; D328-T331 PolarHBondContact N-OG1 3.24Å; D328-T331 PolarHBondContact O-N 3.27Å; D328-T331 PolarHBondContact O-OG1 3.41Å; D328-T331 WeakPolarHBondContact OD1-CB 3.13Å; D328-T331 VanDerWaalsContact OD1-CG2 3.27Å; D328-T331 WeakPolarHBondContact OD1-CG2 3.41Å; D328-T331 PolarHBondContact OD1-N 3.3Å; D328-T331 PolarHBondContact OD1-OG1 3.41Å; D328-L332 VanDerWaalsContact O-CB 3.24Å; D328-L332 WeakPolarHBondContact O-CB 3.25Å; D328-L332 PolarHBondContact O-N 3.31Å
329Y91.8Very high94.9Very high70 Ų7039.2 Ų39.228%0.27523%0.225SC..THydrogen-bonded Turntrans-63.8-31-178.2-57.1-73.4000113.6F355 H359 H362 I363Y329-F355 HydrophobicContact CD1-CE1 4.06Å; Y329-F355 HydrophobicContact CD1-CZ 4.34Å; Y329-F355 HydrophobicContact CE1-CE1 4.18Å; Y329-F355 HydrophobicContact CE1-CZ 4.29Å; Y329-H359 HydrophobicContact CE1-CB 3.97Å; Y329-H359 WeakPolarHBondContact OH-CB 3.41Å; Y329-H362 WeakPolarHBondContact OH-CB 3.24Å; Y329-I363 HydrophobicContact CD1-CD1 4.07Å
330D90.7Very high94.8Very high134 Ų13441.7 Ų41.772%0.71724%0.243SC*.THydrogen-bonded Turntrans-76.7-36.6-178.4-69.6-29.3000111.4D328D328-D330 VanDerWaalsContact C-N 3.28Å; D328-D330 PolarHBondContact O-N 3.42Å; D328-D330 PolarHBondContact OD1-N 3.46Å; D328-D330 VanDerWaalsContact OD1-N 3.15Å
331T92.6Very high94.7Very high21 Ų2146 Ų4613%0.12926%0.263CS..THydrogen-bonded Turntrans-90.7-20.7-176.658.10000113.6L297 R326 D328 N333 A334 L335L297-T331 HydrophobicContact CD1-CG2 3.56Å; R326-T331 PolarHBondContact O-OG1 3.46Å; D328-T331 PolarHBondContact N-OG1 3.24Å; D328-T331 PolarHBondContact O-N 3.27Å; D328-T331 PolarHBondContact O-OG1 3.41Å; D328-T331 WeakPolarHBondContact OD1-CB 3.13Å; D328-T331 VanDerWaalsContact OD1-CG2 3.27Å; D328-T331 WeakPolarHBondContact OD1-CG2 3.41Å; D328-T331 PolarHBondContact OD1-N 3.3Å; D328-T331 PolarHBondContact OD1-OG1 3.41Å; T331-N333 PolarHBondContact O-N 3.1Å; T331-A334 PolarHBondContact O-N 3.06Å; T331-A334 VanDerWaalsContact O-N 3.14Å; T331-L335 WeakPolarHBondContact O-CG 3.26Å; T331-L335 PolarHBondContact O-N 2.84Å
332L94.9Very high94.5Very high0 Ų047.2 Ų47.20%028%0.283CS..Hα-helixtrans-48.6-52-174.1176.461.9000113.7L327 D328 L335 Y336 C352 F355 L356 L372 L376L327-L332 HydrophobicContact CD1-CB 4.42Å; L327-L332 HydrophobicContact CD1-CD1 3.97Å; D328-L332 VanDerWaalsContact O-CB 3.24Å; D328-L332 WeakPolarHBondContact O-CB 3.25Å; D328-L332 PolarHBondContact O-N 3.31Å; L332-L335 PolarHBondContact O-N 2.96Å; L332-Y336 VanDerWaalsContact O-CB 3.22Å; L332-Y336 WeakPolarHBondContact O-CB 3.47Å; L332-Y336 PolarHBondContact O-N 3.49Å; L332-C352 HydrophobicContact CD1-CB 3.75Å; L332-F355 HydrophobicContact CD1-CD1 4.06Å; L332-F355 HydrophobicContact CD2-CD1 4.17Å; L332-F355 HydrophobicContact CD2-CE1 4.32Å; L332-L356 HydrophobicContact CD2-CB 4.25Å; L332-L356 HydrophobicContact CD2-CD1 4.15Å; L332-L372 HydrophobicContact CD2-CD2 3.86Å; L332-L376 HydrophobicContact CD1-CD2 4.17Å; L332-L376 HydrophobicContact CD2-CD2 4.09Å; L332-L376 HydrophobicContact CG-CD2 3.92Å
333N93.6Very high94.3Very high39 Ų3949.2 Ų49.221%0.20929%0.292CS..Hα-helixtrans-68.6-38.5-176.9-73.7-51.1000112.7T331 G337 N371 L372 D373T331-N333 PolarHBondContact O-N 3.1Å; N333-G337 PolarHBondContact O-N 3.44Å; N333-N371 VanDerWaalsContact ND2-C 3.28Å; N333-N371 PolarHBondContact ND2-O 3.19Å; N333-N371 PolarHBondContact OD1-O 3.4Å; N333-L372 WeakPolarHBondContact OD1-CA 3.47Å; N333-D373 PolarHBondContact OD1-N 2.95Å
334A92.4Very high94.1Very high70 Ų7049.3 Ų49.358%0.57929%0.293SS*.Hα-helixtrans-66.5-44.8177.800000111.1T331 W338T331-A334 PolarHBondContact O-N 3.06Å; T331-A334 VanDerWaalsContact O-N 3.14Å; A334-W338 WeakPolarHBondContact O-CB 3.39Å; A334-W338 PolarHBondContact O-N 2.81Å
335L95.7Very high94.1Very high6 Ų648 Ų483%0.03128%0.282CS..Hα-helixtrans-68.9-40.3178-66.4-179.5000112.1L297 L323 L327 T331 L332 S339 L348L297-L335 HydrophobicContact CD2-CD2 4.42Å; L323-L335 HydrophobicContact CD2-CD2 3.97Å; L327-L335 HydrophobicContact CB-CD1 4.47Å; L327-L335 HydrophobicContact CD1-CD1 3.85Å; T331-L335 WeakPolarHBondContact O-CG 3.26Å; T331-L335 PolarHBondContact O-N 2.84Å; L332-L335 PolarHBondContact O-N 2.96Å; L335-S339 WeakPolarHBondContact O-CB 3.39Å; L335-S339 PolarHBondContact O-N 3.18Å; L335-S339 PolarHBondContact O-OG 3.41Å; L335-L348 HydrophobicContact CB-CD2 4.27Å; L335-L348 HydrophobicContact CD2-CD2 4.13Å
336Y96.4Very high94Very high4 Ų447.6 Ų47.62%0.01628%0.277CS..Hα-helixtrans-64-44174.9-178.3-98.9000111.9L332 S339 S340 R349 C352 V353 D373 T375 L376 E379L332-Y336 VanDerWaalsContact O-CB 3.22Å; L332-Y336 WeakPolarHBondContact O-CB 3.47Å; L332-Y336 PolarHBondContact O-N 3.49Å; Y336-S339 WeakPolarHBondContact CA-OG 3.29Å; Y336-S339 PolarHBondContact O-N 2.82Å; Y336-S339 PolarHBondContact O-OG 3.35Å; Y336-S339 VanDerWaalsContact O-OG 3.14Å; Y336-S340 VanDerWaalsContact O-CB 3.27Å; Y336-S340 WeakPolarHBondContact O-CB 3.48Å; Y336-S340 PolarHBondContact O-N 3.45Å; Y336-S340 PolarHBondContact O-OG 3.36Å; Y336-R349 HydrophobicContact CD2-CG 4.21Å; Y336-R349 HydrophobicContact CE2-CG 3.96Å; Y336-R349 PolarHBondContact OH-NH2 2.81Å; Y336-C352 HydrophobicContact CD2-CB 3.94Å; Y336-V353 HydrophobicContact CE2-CG2 4.05Å; Y336-D373 HydrophobicContact CD1-CB 4.47Å; Y336-T375 WeakPolarHBondContact CE1-OG1 3.42Å; Y336-T375 PolarHBondContact OH-OG1 3.38Å; Y336-T375 VanDerWaalsContact OH-OG1 3.06Å; Y336-L376 HydrophobicContact CD1-CB 3.78Å; Y336-L376 HydrophobicContact CD1-CD2 4.4Å; Y336-L376 HydrophobicContact CD1-CG 4.48Å; Y336-L376 HydrophobicContact CD2-CB 4.32Å; Y336-L376 HydrophobicContact CD2-CD1 3.71Å; Y336-L376 HydrophobicContact CD2-CG 4.38Å; Y336-L376 HydrophobicContact CE1-CB 3.6Å; Y336-L376 HydrophobicContact CE2-CB 4.14Å; Y336-L376 HydrophobicContact CE2-CD1 3.76Å; Y336-L376 HydrophobicContact CE2-CG 4.48Å; Y336-L376 HydrophobicContact CG-CB 4.13Å; Y336-L376 HydrophobicContact CG-CD1 4.14Å; Y336-L376 HydrophobicContact CG-CD2 4.14Å; Y336-L376 HydrophobicContact CG-CG 4.35Å; Y336-L376 PolarHBondContact OH-N 2.89Å; Y336-E379 PolarHBondContact OH-OE2 2.93Å
337G95.4Very high94.1Very high36 Ų3644.5 Ų44.537%0.37127%0.266SS..Hα-helixtrans-58.3-53.4175.700000111.6N333 S339 S340N333-G337 PolarHBondContact O-N 3.44Å; G337-S339 PolarHBondContact O-N 2.85Å; G337-S340 PolarHBondContact O-N 3.21Å
338W95.7Very high94.2Very high29 Ų2943.3 Ų43.311%0.1126%0.26CS..Hα-helixtrans-60.8-45.6178172.582.5000112.9T301 Y304 L323 A334 S340 E341 H343 G344 L348T301-W338 HydrophobicContact CG2-CD2 3.75Å; T301-W338 HydrophobicContact CG2-CE3 4.26Å; T301-W338 HydrophobicContact CG2-CG 4.12Å; T301-W338 HydrophobicContact CG2-CH2 4.35Å; T301-W338 HydrophobicContact CG2-CZ2 3.84Å; Y304-W338 AromaticContact CD1-CH2 3.5Å; Y304-W338 HydrophobicContact CD1-CH2 3.5Å; Y304-W338 VanDerWaalsContact CD1-CH2 3.5Å; Y304-W338 AromaticContact CD1-CZ2 3.43Å; Y304-W338 HydrophobicContact CD1-CZ2 3.43Å; Y304-W338 VanDerWaalsContact CD1-CZ2 3.43Å; Y304-W338 HydrophobicContact CD2-CH2 4.2Å; Y304-W338 AromaticContact CE1-CH2 3.77Å; Y304-W338 HydrophobicContact CE1-CH2 3.77Å; Y304-W338 AromaticContact CE1-CZ2 3.94Å; Y304-W338 HydrophobicContact CE1-CZ2 3.94Å; Y304-W338 HydrophobicContact CE2-CH2 4.43Å; Y304-W338 AromaticContact CG-CH2 3.74Å; Y304-W338 HydrophobicContact CG-CH2 3.74Å; Y304-W338 AromaticContact CG-CZ2 3.95Å; Y304-W338 HydrophobicContact CG-CZ2 3.95Å; L323-W338 HydrophobicContact CD1-CH2 3.87Å; L323-W338 HydrophobicContact CD1-CZ3 3.88Å; A334-W338 WeakPolarHBondContact O-CB 3.39Å; A334-W338 PolarHBondContact O-N 2.81Å; W338-S340 PolarHBondContact O-N 3.3Å; W338-E341 WeakPolarHBondContact O-CB 3.37Å; W338-E341 PolarHBondContact O-N 3.29Å; W338-E341 VanDerWaalsContact O-N 3.16Å; W338-H343 AromaticContact CD1-NE2 3.97Å; W338-H343 AromaticContact NE1-NE2 3.85Å; W338-G344 WeakPolarHBondContact O-CA 3.47Å; W338-L348 HydrophobicContact CE3-CD2 3.85Å; W338-L348 HydrophobicContact CZ3-CD2 3.56Å
339S96.4Very high94.3Very high3 Ų343.6 Ų43.62%0.02126%0.256CS..Hα-helixtrans-70.5-19.3-17860.40000113.5L335 Y336 G337 E341 S345 R349L335-S339 WeakPolarHBondContact O-CB 3.39Å; L335-S339 PolarHBondContact O-N 3.18Å; L335-S339 PolarHBondContact O-OG 3.41Å; Y336-S339 WeakPolarHBondContact CA-OG 3.29Å; Y336-S339 PolarHBondContact O-N 2.82Å; Y336-S339 PolarHBondContact O-OG 3.35Å; Y336-S339 VanDerWaalsContact O-OG 3.14Å; G337-S339 PolarHBondContact O-N 2.85Å; S339-E341 VanDerWaalsContact C-N 3.35Å; S339-S345 VanDerWaalsContact CB-O 3.32Å; S339-S345 WeakPolarHBondContact CB-O 3.2Å; S339-R349 WeakPolarHBondContact OG-CA 3.16Å
340S95.6Very high94.5Very high52 Ų5241.8 Ų41.836%0.36425%0.248SC..THydrogen-bonded Turntrans-81.9-12.3173.9-63.30000113.5Y336 G337 W338 R349Y336-S340 VanDerWaalsContact O-CB 3.27Å; Y336-S340 WeakPolarHBondContact O-CB 3.48Å; Y336-S340 PolarHBondContact O-N 3.45Å; Y336-S340 PolarHBondContact O-OG 3.36Å; G337-S340 PolarHBondContact O-N 3.21Å; W338-S340 PolarHBondContact O-N 3.3Å; S340-R349 PolarHBondContact OG-NE 2.92Å
341E94.5Very high94.7Very high104 Ų10436.2 Ų36.249%0.48622%0.22SC..SBendtrans-73.8154.6173.1-58.1-163.4-154.200111.5W338 S339 H343 G344W338-E341 WeakPolarHBondContact O-CB 3.37Å; W338-E341 PolarHBondContact O-N 3.29Å; W338-E341 VanDerWaalsContact O-N 3.16Å; S339-E341 VanDerWaalsContact C-N 3.35Å; E341-H343 PolarHBondContact O-N 2.98Å; E341-H343 VanDerWaalsContact O-N 3.08Å; E341-H343 IonicContact OE2-CE1 3.96Å; E341-H343 PolarHBondContact OE2-CE1 2.93Å; E341-H343 IonicContact OE2-ND1 3.63Å; E341-H343 PolarHBondContact OE2-ND1 2.73Å; E341-H343 IonicContact OE2-NE2 2.92Å; E341-G344 PolarHBondContact O-N 3.28Å
342A92.6Very high94.9Very high100 Ų10035.2 Ų35.283%0.82621%0.213SC*.THydrogen-bonded Turntrans-58.7-27.7-178.900000113.6R308R308-A342 PolarHBondContact NH1-O 2.92Å; R308-A342 VanDerWaalsContact NH1-O 3.1Å
343H91.9Very high95Very high71 Ų7136 Ų3633%0.32922%0.219SC..THydrogen-bonded Turntrans-91-6.8177.469.2-106.2000113.2Y304 Q305 R308 W338 E341Y304-H343 WeakPolarHBondContact CE1-O 3.27Å; Q305-H343 PolarHBondContact NE2-CD2 2.81Å; Q305-H343 PolarHBondContact NE2-NE2 2.91Å; Q305-H343 VanDerWaalsContact NE2-NE2 3.12Å; R308-H343 VanDerWaalsContact NH1-CA 3.26Å; R308-H343 PolarHBondContact NH1-O 2.89Å; W338-H343 AromaticContact CD1-NE2 3.97Å; W338-H343 AromaticContact NE1-NE2 3.85Å; E341-H343 PolarHBondContact O-N 2.98Å; E341-H343 VanDerWaalsContact O-N 3.08Å; E341-H343 IonicContact OE2-CE1 3.96Å; E341-H343 PolarHBondContact OE2-CE1 2.93Å; E341-H343 IonicContact OE2-ND1 3.63Å; E341-H343 PolarHBondContact OE2-ND1 2.73Å; E341-H343 IonicContact OE2-NE2 2.92Å
344G93.6Very high95.1Very high2 Ų235.9 Ų35.92%0.02122%0.223CC..SBendtrans-75.9-178.317800000113.5Y304 R308 W338 E341 P346Y304-G344 PolarHBondContact OH-O 3.36Å; R308-G344 PolarHBondContact NH1-O 3.4Å; W338-G344 WeakPolarHBondContact O-CA 3.47Å; E341-G344 PolarHBondContact O-N 3.28Å; G344-P346 WeakPolarHBondContact O-CD 3.38Å
345S95.2Very high95.3Very high0 Ų034.2 Ų34.20%020%0.203CC..  trans-96.1114.7178.6171.80000112.3Y304 E320 S339 Y347 L348 R349Y304-S345 VanDerWaalsContact OH-CA 3.25Å; Y304-S345 WeakPolarHBondContact OH-CA 3.34Å; Y304-S345 WeakPolarHBondContact OH-CB 3.44Å; E320-S345 VanDerWaalsContact CD-OG 3.31Å; E320-S345 WeakPolarHBondContact OE1-CB 3.49Å; E320-S345 PolarHBondContact OE1-OG 3.19Å; S339-S345 VanDerWaalsContact CB-O 3.32Å; S339-S345 WeakPolarHBondContact CB-O 3.2Å; S345-Y347 PolarHBondContact O-N 3.42Å; S345-Y347 PolarHBondContact OG-N 3.02Å; S345-L348 PolarHBondContact O-N 3.14Å; S345-L348 PolarHBondContact OG-N 3.25Å; S345-R349 PolarHBondContact O-N 3.25Å
346P94.2Very high95.4Very high83 Ų8334 Ų3454%0.53920%0.201SC..Hα-helixtrans-59.5-35171.7-23.634.1000112.9G344 R349 R350G344-P346 WeakPolarHBondContact O-CD 3.38Å; P346-R349 WeakPolarHBondContact O-CB 3.46Å; P346-R349 PolarHBondContact O-N 3.38Å; P346-R350 PolarHBondContact O-N 3.11Å; P346-R350 VanDerWaalsContact O-N 3.11Å
347Y95.5Very high95.4Very high20 Ų2034.1 Ų34.18%0.07820%0.203CC..Hα-helixtrans-60.5-51.9174.4164.6-97.1000111L32 R34 E320 A324 S345 R349 R350 C351L32-Y347 HydrophobicContact CD2-CE2 4.34Å; R34-Y347 VanDerWaalsContact CD-CD2 3.46Å; R34-Y347 HydrophobicContact CG-CD2 3.44Å; R34-Y347 VanDerWaalsContact CG-CD2 3.44Å; R34-Y347 HydrophobicContact CG-CE2 4.06Å; R34-Y347 HydrophobicContact CG-CG 3.82Å; E320-Y347 HydrophobicContact CB-CD1 3.79Å; E320-Y347 HydrophobicContact CB-CE1 3.97Å; E320-Y347 HydrophobicContact CG-CD1 4.11Å; A324-Y347 HydrophobicContact CB-CE1 4.43Å; S345-Y347 PolarHBondContact O-N 3.42Å; S345-Y347 PolarHBondContact OG-N 3.02Å; Y347-R349 PolarHBondContact O-N 2.87Å; Y347-R350 PolarHBondContact O-N 3.33Å; Y347-R350 VanDerWaalsContact O-N 3.1Å; Y347-C351 VanDerWaalsContact CZ-SG 3.53Å; Y347-C351 PolarHBondContact O-N 3.12Å; Y347-C351 PolarHBondContact O-SG 3.01Å; Y347-C351 VanDerWaalsContact O-SG 3.34Å
348L96Very high95.4Very high0 Ų037.3 Ų37.30%021%0.208CC..Hα-helixtrans-63.3-33.6-179.9-17067.2000111.7L323 A324 L335 W338 S345 C351 C352L323-L348 HydrophobicContact CB-CD1 4.03Å; L323-L348 HydrophobicContact CB-CD2 3.76Å; L323-L348 HydrophobicContact CD1-CD2 3.95Å; L323-L348 HydrophobicContact CG-CD2 4.4Å; A324-L348 HydrophobicContact CB-CD1 3.98Å; L335-L348 HydrophobicContact CB-CD2 4.27Å; L335-L348 HydrophobicContact CD2-CD2 4.13Å; W338-L348 HydrophobicContact CE3-CD2 3.85Å; W338-L348 HydrophobicContact CZ3-CD2 3.56Å; S345-L348 PolarHBondContact O-N 3.14Å; S345-L348 PolarHBondContact OG-N 3.25Å; L348-C351 HydrophobicContact CD1-CB 4.45Å; L348-C351 WeakPolarHBondContact O-CB 3.36Å; L348-C351 PolarHBondContact O-N 3.25Å; L348-C352 PolarHBondContact O-N 3.09Å; L348-C352 PolarHBondContact O-SG 3.48Å
349R96.3Very high95.4Very high71 Ų7138.7 Ų38.727%0.26822%0.216SC..Hα-helixtrans-59.7-46.4173.9-170179.1174.6-77.6-7.6111.5Y336 S339 S340 S345 P346 Y347 C352 V353 E379Y336-R349 HydrophobicContact CD2-CG 4.21Å; Y336-R349 HydrophobicContact CE2-CG 3.96Å; Y336-R349 PolarHBondContact OH-NH2 2.81Å; S339-R349 WeakPolarHBondContact OG-CA 3.16Å; S340-R349 PolarHBondContact OG-NE 2.92Å; S345-R349 PolarHBondContact O-N 3.25Å; P346-R349 WeakPolarHBondContact O-CB 3.46Å; P346-R349 PolarHBondContact O-N 3.38Å; Y347-R349 PolarHBondContact O-N 2.87Å; R349-C352 WeakPolarHBondContact O-CB 3.39Å; R349-C352 PolarHBondContact O-N 3.1Å; R349-V353 WeakPolarHBondContact O-CG2 3.31Å; R349-V353 PolarHBondContact O-N 2.73Å; R349-V353 VanDerWaalsContact O-N 3.16Å; R349-E379 IonicContact CZ-OE1 2.81Å; R349-E379 IonicContact CZ-OE2 3.76Å; R349-E379 IonicContact NH1-OE1 3.99Å; R349-E379 PolarHBondContact NH1-OE1 3.39Å; R349-E379 IonicContact NH1-OE2 3.1Å; R349-E379 PolarHBondContact NH1-OE2 3.44Å; R349-E379 VanDerWaalsContact NH2-CD 3.33Å; R349-E379 IonicContact NH2-OE1 3.48Å; R349-E379 PolarHBondContact NH2-OE1 3.46Å; R349-E379 IonicContact NH2-OE2 3.45Å; R349-E379 PolarHBondContact NH2-OE2 3.06Å
350R95.3Very high95.4Very high32 Ų3238.5 Ų38.512%0.12122%0.215CC..Hα-helixtrans-63.5-40.5173.9-65.7-170.2-52-107.5-5.1111.7D31 A33 P346 Y347 C352 V353 A354 D616D31-R350 HydrophobicContact CB-CB 4.39Å; D31-R350 PolarHBondContact O-NE 3.5Å; D31-R350 PolarHBondContact O-NH2 3.12Å; A33-R350 PolarHBondContact O-NH2 2.86Å; P346-R350 PolarHBondContact O-N 3.11Å; P346-R350 VanDerWaalsContact O-N 3.11Å; Y347-R350 PolarHBondContact O-N 3.33Å; Y347-R350 VanDerWaalsContact O-N 3.1Å; R350-C352 VanDerWaalsContact C-N 3.3Å; R350-C352 PolarHBondContact O-N 3.45Å; R350-V353 PolarHBondContact O-N 2.83Å; R350-A354 WeakPolarHBondContact O-CB 3.33Å; R350-A354 PolarHBondContact O-N 3.13Å; R350-D616 IonicContact CZ-OD2 3.14Å; R350-D616 IonicContact NH1-OD1 3.7Å; R350-D616 IonicContact NH1-OD2 3.39Å; R350-D616 PolarHBondContact NH1-OD2 2.81Å
351C96.1Very high95.3Very high17 Ų1737.6 Ų37.612%0.11521%0.209CC..Hα-helixtrans-58.4-40.6173.7-63.10000112.4L327 Y347 L348 A354 F355L327-C351 HydrophobicContact CD2-CB 4.3Å; Y347-C351 VanDerWaalsContact CZ-SG 3.53Å; Y347-C351 PolarHBondContact O-N 3.12Å; Y347-C351 PolarHBondContact O-SG 3.01Å; Y347-C351 VanDerWaalsContact O-SG 3.34Å; L348-C351 HydrophobicContact CD1-CB 4.45Å; L348-C351 WeakPolarHBondContact O-CB 3.36Å; L348-C351 PolarHBondContact O-N 3.25Å; C351-A354 PolarHBondContact O-N 3.08Å; C351-F355 WeakPolarHBondContact O-CB 3.43Å; C351-F355 PolarHBondContact O-N 3.36Å
352C96.7Very high95.2Very high0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-62.3-45.3176.1-66.90000111.9L332 Y336 L348 R349 R350 F355 L356L332-C352 HydrophobicContact CD1-CB 3.75Å; Y336-C352 HydrophobicContact CD2-CB 3.94Å; L348-C352 PolarHBondContact O-N 3.09Å; L348-C352 PolarHBondContact O-SG 3.48Å; R349-C352 WeakPolarHBondContact O-CB 3.39Å; R349-C352 PolarHBondContact O-N 3.1Å; R350-C352 VanDerWaalsContact C-N 3.3Å; R350-C352 PolarHBondContact O-N 3.45Å; C352-F355 PolarHBondContact O-N 3.12Å; C352-L356 PolarHBondContact O-N 3.5Å
353V96.9Very high95.3Very high18 Ų1833.7 Ų33.711%0.10917%0.173CC..Hα-helixtrans-64-45.5177.71750000111.1Y336 R349 R350 L356 A357 L376 E379 T380Y336-V353 HydrophobicContact CE2-CG2 4.05Å; R349-V353 WeakPolarHBondContact O-CG2 3.31Å; R349-V353 PolarHBondContact O-N 2.73Å; R349-V353 VanDerWaalsContact O-N 3.16Å; R350-V353 PolarHBondContact O-N 2.83Å; V353-L356 PolarHBondContact O-N 2.89Å; V353-A357 WeakPolarHBondContact O-CB 3.49Å; V353-A357 PolarHBondContact O-N 3.14Å; V353-L376 HydrophobicContact CG2-CD1 4.06Å; V353-E379 HydrophobicContact CG1-CG 3.99Å; V353-E379 HydrophobicContact CG2-CB 4.28Å; V353-E379 VanDerWaalsContact CG2-CD 3.46Å; V353-E379 HydrophobicContact CG2-CG 3.78Å; V353-T380 PolarHBondContact O-OG1 2.91Å
354A95.7Very high95.2Very high36 Ų3630.5 Ų30.530%0.29816%0.159SC..Hα-helixtrans-64-42.3178.300000111.8R350 C351 A357 E358R350-A354 WeakPolarHBondContact O-CB 3.33Å; R350-A354 PolarHBondContact O-N 3.13Å; C351-A354 PolarHBondContact O-N 3.08Å; A354-A357 PolarHBondContact O-N 3.18Å; A354-E358 WeakPolarHBondContact O-CB 3.44Å; A354-E358 PolarHBondContact O-N 3.27Å
355F96.4Very high95.1Very high35 Ų3536 Ų3615%0.15419%0.187CC..Hα-helixtrans-58.7-49.2174.6175.9-90.1000111.5L327 Y329 L332 C351 C352 A357 E358 H359L327-F355 HydrophobicContact CD2-CB 3.51Å; L327-F355 HydrophobicContact CD2-CD2 4.1Å; L327-F355 HydrophobicContact CD2-CG 3.82Å; L327-F355 HydrophobicContact CG-CB 4.18Å; L327-F355 HydrophobicContact CG-CD1 4.35Å; L327-F355 HydrophobicContact CG-CD2 4.03Å; L327-F355 HydrophobicContact CG-CG 3.92Å; Y329-F355 HydrophobicContact CD1-CE1 4.06Å; Y329-F355 HydrophobicContact CD1-CZ 4.34Å; Y329-F355 HydrophobicContact CE1-CE1 4.18Å; Y329-F355 HydrophobicContact CE1-CZ 4.29Å; L332-F355 HydrophobicContact CD1-CD1 4.06Å; L332-F355 HydrophobicContact CD2-CD1 4.17Å; L332-F355 HydrophobicContact CD2-CE1 4.32Å; C351-F355 WeakPolarHBondContact O-CB 3.43Å; C351-F355 PolarHBondContact O-N 3.36Å; C352-F355 PolarHBondContact O-N 3.12Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.4Å; F355-E358 PolarHBondContact O-N 3Å; F355-H359 AromaticContact CD2-CD2 3.55Å; F355-H359 AromaticContact CD2-NE2 4Å; F355-H359 AromaticContact CE2-CD2 3.43Å; F355-H359 VanDerWaalsContact CE2-CD2 3.43Å; F355-H359 WeakPolarHBondContact CE2-CD2 3.34Å; F355-H359 AromaticContact CE2-NE2 3.81Å; F355-H359 AromaticContact CZ-CD2 3.79Å; F355-H359 WeakPolarHBondContact O-CB 3.19Å; F355-H359 PolarHBondContact O-CD2 3.4Å; F355-H359 VanDerWaalsContact O-CD2 3.27Å; F355-H359 PolarHBondContact O-N 3.04Å
356L97.1Very high94.9Very high0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-65.5-38178.5-176.359.8000111.7L332 C352 V353 H359 F360 I363 L372 L376 T380L332-L356 HydrophobicContact CD2-CB 4.25Å; L332-L356 HydrophobicContact CD2-CD1 4.15Å; C352-L356 PolarHBondContact O-N 3.5Å; V353-L356 PolarHBondContact O-N 2.89Å; L356-H359 PolarHBondContact O-N 3.48Å; L356-F360 HydrophobicContact CD1-CD2 4.32Å; L356-F360 HydrophobicContact CG-CD2 4.2Å; L356-F360 WeakPolarHBondContact O-CA 3.2Å; L356-F360 VanDerWaalsContact O-CB 3.32Å; L356-F360 WeakPolarHBondContact O-CB 3.24Å; L356-F360 PolarHBondContact O-N 2.92Å; L356-I363 HydrophobicContact CD1-CD1 3.83Å; L356-I363 HydrophobicContact CD1-CG2 4.01Å; L356-L372 HydrophobicContact CD1-CD1 4.16Å; L356-L372 HydrophobicContact CD1-CD2 4.41Å; L356-L372 HydrophobicContact CD2-CD1 4.22Å; L356-L372 HydrophobicContact CD2-CD2 4.38Å; L356-L376 HydrophobicContact CD2-CD1 4.01Å; L356-L376 HydrophobicContact CD2-CD2 3.96Å; L356-L376 HydrophobicContact CD2-CG 3.61Å; L356-T380 HydrophobicContact CB-CG2 4.31Å; L356-T380 HydrophobicContact CD2-CG2 4.26Å; L356-T380 WeakPolarHBondContact CD2-OG1 2.92Å; L356-T380 HydrophobicContact CG-CG2 4.01Å
357A96.2Very high94.8Very high7 Ų737.5 Ų37.56%0.05820%0.198CC..Hα-helixtrans-61.2-45.1176.500000111.8V353 A354 F355 T380 V386 Q387V353-A357 WeakPolarHBondContact O-CB 3.49Å; V353-A357 PolarHBondContact O-N 3.14Å; A354-A357 PolarHBondContact O-N 3.18Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.4Å; A357-T380 HydrophobicContact CB-CG2 3.94Å; A357-V386 HydrophobicContact CB-CG2 4.25Å; A357-Q387 PolarHBondContact O-N 2.71Å
358E95.4Very high94.6Very high103 Ų10338 Ų3848%0.48120%0.202SC..Hα-helixtrans-69.5-35179.8-173.464.4-169.300112.4A354 F355 Q387A354-E358 WeakPolarHBondContact O-CB 3.44Å; A354-E358 PolarHBondContact O-N 3.27Å; F355-E358 PolarHBondContact O-N 3Å; E358-Q387 WeakPolarHBondContact O-CB 3.4Å; E358-Q387 WeakPolarHBondContact OE2-CG 3.39Å
359H95.3Very high94.5Very high58 Ų5838 Ų3827%0.26920%0.202SC..Hα-helixtrans-10311.7-175.3-64.8-59.2000114.8Y329 F355 L356 S361 H362 I363Y329-H359 HydrophobicContact CE1-CB 3.97Å; Y329-H359 WeakPolarHBondContact OH-CB 3.41Å; F355-H359 AromaticContact CD2-CD2 3.55Å; F355-H359 AromaticContact CD2-NE2 4Å; F355-H359 AromaticContact CE2-CD2 3.43Å; F355-H359 VanDerWaalsContact CE2-CD2 3.43Å; F355-H359 WeakPolarHBondContact CE2-CD2 3.34Å; F355-H359 AromaticContact CE2-NE2 3.81Å; F355-H359 AromaticContact CZ-CD2 3.79Å; F355-H359 WeakPolarHBondContact O-CB 3.19Å; F355-H359 PolarHBondContact O-CD2 3.4Å; F355-H359 VanDerWaalsContact O-CD2 3.27Å; F355-H359 PolarHBondContact O-N 3.04Å; L356-H359 PolarHBondContact O-N 3.48Å; H359-S361 VanDerWaalsContact C-N 3.34Å; H359-S361 PolarHBondContact O-N 3.37Å; H359-H362 WeakPolarHBondContact O-CB 3.11Å; H359-H362 PolarHBondContact O-N 3.4Å; H359-I363 PolarHBondContact O-N 2.73Å
360F96.8Very high94.4Very high0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-59.3-40.7-172.7-159.6-84000113.4L356 H362 I363 V364 L377 T380 L381 V386 A388 I393 A396L356-F360 HydrophobicContact CD1-CD2 4.32Å; L356-F360 HydrophobicContact CG-CD2 4.2Å; L356-F360 WeakPolarHBondContact O-CA 3.2Å; L356-F360 VanDerWaalsContact O-CB 3.32Å; L356-F360 WeakPolarHBondContact O-CB 3.24Å; L356-F360 PolarHBondContact O-N 2.92Å; F360-H362 PolarHBondContact O-N 2.91Å; F360-I363 WeakPolarHBondContact O-CG2 3.24Å; F360-I363 PolarHBondContact O-N 2.85Å; F360-V364 HydrophobicContact CD1-CG2 3.9Å; F360-V364 HydrophobicContact CE1-CG2 3.9Å; F360-V364 WeakPolarHBondContact O-CG2 3.16Å; F360-V364 PolarHBondContact O-N 3.21Å; F360-L377 HydrophobicContact CE2-CD2 4.06Å; F360-L377 HydrophobicContact CZ-CD2 4.46Å; F360-T380 HydrophobicContact CD2-CG2 4.07Å; F360-T380 HydrophobicContact CE2-CG2 4.49Å; F360-L381 HydrophobicContact CE2-CD2 4.15Å; F360-L381 HydrophobicContact CZ-CD2 4.07Å; F360-V386 HydrophobicContact CB-CG1 3.64Å; F360-V386 HydrophobicContact CD1-CG1 4.2Å; F360-V386 HydrophobicContact CD2-CG1 4.06Å; F360-V386 HydrophobicContact CG-CG1 3.69Å; F360-A388 HydrophobicContact CB-CB 4.23Å; F360-A388 HydrophobicContact CD1-CB 3.62Å; F360-A388 HydrophobicContact CE1-CB 4.49Å; F360-A388 HydrophobicContact CG-CB 4.32Å; F360-I393 HydrophobicContact CD1-CG1 4.24Å; F360-I393 HydrophobicContact CE1-CB 4.43Å; F360-I393 HydrophobicContact CE1-CG1 3.88Å; F360-A396 HydrophobicContact CE1-CB 3.85Å; F360-A396 HydrophobicContact CZ-CB 4.07Å
361S93.8Very high94.2Very high33 Ų3341 Ų4123%0.23122%0.223CC..Hα-helixtrans-60-30177.749.90000113.5H359 Q387H359-S361 VanDerWaalsContact C-N 3.34Å; H359-S361 PolarHBondContact O-N 3.37Å; S361-Q387 WeakPolarHBondContact CB-O 3.43Å; S361-Q387 PolarHBondContact N-O 3.08Å; S361-Q387 PolarHBondContact OG-O 2.9Å
362H93.1Very high94.1Very high121 Ų12140.4 Ų40.456%0.5622%0.219SC*.Hα-helixtrans-75.3-43.6176.4-63.9-75.7000111.6Y329 H359 F360 V364 N365Y329-H362 WeakPolarHBondContact OH-CB 3.24Å; H359-H362 WeakPolarHBondContact O-CB 3.11Å; H359-H362 PolarHBondContact O-N 3.4Å; F360-H362 PolarHBondContact O-N 2.91Å; H362-V364 VanDerWaalsContact C-N 3.28Å; H362-V364 PolarHBondContact O-N 3.18Å; H362-N365 PolarHBondContact O-N 3.36Å
363I93.1Very high94Very high1 Ų143.8 Ų43.81%0.00524%0.237CC..Hα-helixtrans-67.9-28.5-174.7-151.8158.3000112.6Y329 L356 H359 F360 N365 S366 D368 L369 L372Y329-I363 HydrophobicContact CD1-CD1 4.07Å; L356-I363 HydrophobicContact CD1-CD1 3.83Å; L356-I363 HydrophobicContact CD1-CG2 4.01Å; H359-I363 PolarHBondContact O-N 2.73Å; F360-I363 WeakPolarHBondContact O-CG2 3.24Å; F360-I363 PolarHBondContact O-N 2.85Å; I363-N365 PolarHBondContact O-N 2.95Å; I363-S366 PolarHBondContact O-N 3.45Å; I363-D368 HydrophobicContact CD1-CB 4.19Å; I363-D368 HydrophobicContact CG1-CB 4.17Å; I363-L369 HydrophobicContact CG1-CB 4.44Å; I363-L372 HydrophobicContact CD1-CD1 3.76Å; I363-L372 HydrophobicContact CD1-CD2 3.79Å; I363-L372 HydrophobicContact CD1-CG 4.03Å; I363-L372 HydrophobicContact CG1-CD1 4.37Å; I363-L372 HydrophobicContact CG2-CD1 4.41Å
364V91.3Very high93.9Very high4 Ų445.7 Ų45.72%0.02425%0.245CC..THydrogen-bonded Turntrans-49.7-36.5178.5176.70000112F360 H362 E392 V395 A396 R399F360-V364 HydrophobicContact CD1-CG2 3.9Å; F360-V364 HydrophobicContact CE1-CG2 3.9Å; F360-V364 WeakPolarHBondContact O-CG2 3.16Å; F360-V364 PolarHBondContact O-N 3.21Å; H362-V364 VanDerWaalsContact C-N 3.28Å; H362-V364 PolarHBondContact O-N 3.18Å; V364-E392 HydrophobicContact CG2-CB 4.27Å; V364-V395 HydrophobicContact CG1-CG1 4.08Å; V364-A396 HydrophobicContact CB-CB 4.26Å; V364-A396 HydrophobicContact CG1-CB 4.1Å; V364-A396 HydrophobicContact CG2-CB 3.77Å; V364-R399 PolarHBondContact O-NH1 2.88Å; V364-R399 PolarHBondContact O-NH2 2.81Å
365N90Very high94Very high117 Ų11747.6 Ų47.663%0.62625%0.252SS*.THydrogen-bonded Turntrans-98.2-9.7-179.5-66.8-51.7000114.5H362 I363 R399H362-N365 PolarHBondContact O-N 3.36Å; I363-N365 PolarHBondContact O-N 2.95Å; N365-R399 PolarHBondContact OD1-NH1 3.36Å
366S92.5Very high94Very high27 Ų2745.9 Ų45.919%0.18925%0.245CC..SBendtrans-79.6150179.8-165.20000111.9I363 D368 L369I363-S366 PolarHBondContact O-N 3.45Å; S366-D368 PolarHBondContact O-N 3.21Å; S366-D368 PolarHBondContact OG-N 3.25Å; S366-D368 PolarHBondContact OG-OD2 3.25Å; S366-L369 WeakPolarHBondContact O-CB 3.42Å; S366-L369 PolarHBondContact O-N 3.08Å
367P90.9Very high94Very high87 Ų8746 Ų4657%0.56525%0.246SC*.G310 helixtrans-59.9-23.2162.726.7-37.2000113.2L369 F370P367-L369 PolarHBondContact O-N 3.39Å; P367-L369 VanDerWaalsContact O-N 3.14Å; P367-F370 WeakPolarHBondContact O-CB 3.37Å; P367-F370 VanDerWaalsContact O-CD2 3.31Å; P367-F370 WeakPolarHBondContact O-CD2 3.41Å; P367-F370 PolarHBondContact O-N 3.26Å
368D91.6Very high94.1Very high31 Ų3147.3 Ų47.317%0.16625%0.251CS..G310 helixtrans-61.2-25.9-178.5-50.4-38.3000112.6I363 S366 F370 N371I363-D368 HydrophobicContact CD1-CB 4.19Å; I363-D368 HydrophobicContact CG1-CB 4.17Å; S366-D368 PolarHBondContact O-N 3.21Å; S366-D368 PolarHBondContact OG-N 3.25Å; S366-D368 PolarHBondContact OG-OD2 3.25Å; D368-F370 PolarHBondContact O-N 3.38Å; D368-F370 VanDerWaalsContact O-N 3.14Å; D368-N371 PolarHBondContact O-N 2.91Å
369L94.7Very high94.1Very high1 Ų144.7 Ų44.71%0.00524%0.239CC..G310 helixtrans-46.8-43.5171.8175.563.9000111.3I363 S366 P367 N371 L372 A396 R399 W400I363-L369 HydrophobicContact CG1-CB 4.44Å; S366-L369 WeakPolarHBondContact O-CB 3.42Å; S366-L369 PolarHBondContact O-N 3.08Å; P367-L369 PolarHBondContact O-N 3.39Å; P367-L369 VanDerWaalsContact O-N 3.14Å; L369-N371 VanDerWaalsContact C-N 3.26Å; L369-N371 PolarHBondContact O-N 3.15Å; L369-L372 HydrophobicContact CD1-CD1 4.05Å; L369-L372 WeakPolarHBondContact O-CB 3.49Å; L369-L372 WeakPolarHBondContact O-CG 3.35Å; L369-L372 PolarHBondContact O-N 3Å; L369-A396 HydrophobicContact CD1-CB 4.06Å; L369-A396 HydrophobicContact CD2-CB 4.33Å; L369-R399 HydrophobicContact CD2-CB 3.87Å; L369-W400 HydrophobicContact CD1-CB 4.34Å; L369-W400 HydrophobicContact CG-CB 4.33Å; L369-W400 VanDerWaalsContact O-CD1 3.25Å
370F93.5Very high94.2Very high52 Ų5242 Ų4223%0.22823%0.226CC..G310 helixtrans-71.1-21.2-173.5-56.6-40000113.9P367 D368 R399 H403P367-F370 WeakPolarHBondContact O-CB 3.37Å; P367-F370 VanDerWaalsContact O-CD2 3.31Å; P367-F370 WeakPolarHBondContact O-CD2 3.41Å; P367-F370 PolarHBondContact O-N 3.26Å; D368-F370 PolarHBondContact O-N 3.38Å; D368-F370 VanDerWaalsContact O-N 3.14Å; F370-R399 HydrophobicContact CE1-CB 4.25Å; F370-H403 HydrophobicContact CB-CB 4.44Å; F370-H403 HydrophobicContact CD1-CB 3.53Å; F370-H403 AromaticContact CD1-CG 3.69Å; F370-H403 HydrophobicContact CE1-CB 3.98Å; F370-H403 HydrophobicContact CG-CB 4.08Å; F370-H403 AromaticContact CG-CG 3.69Å; F370-H403 AromaticContact CG-ND1 3.84Å
371N90.6Very high94.1Very high114 Ų11442 Ų4261%0.6123%0.227SC*.G310 helixtrans-88.8-9.6179-64.5-32.6000112.6N333 D368 L369N333-N371 VanDerWaalsContact ND2-C 3.28Å; N333-N371 PolarHBondContact ND2-O 3.19Å; N333-N371 PolarHBondContact OD1-O 3.4Å; D368-N371 PolarHBondContact O-N 2.91Å; L369-N371 VanDerWaalsContact C-N 3.26Å; L369-N371 PolarHBondContact O-N 3.15Å
372L94.5Very high94.1Very high4 Ų447.1 Ų47.12%0.02125%0.245CC..  trans-64.2134.5-177.8-65178000112.3L332 N333 L356 I363 L369 L376 L377 W400L332-L372 HydrophobicContact CD2-CD2 3.86Å; N333-L372 WeakPolarHBondContact OD1-CA 3.47Å; L356-L372 HydrophobicContact CD1-CD1 4.16Å; L356-L372 HydrophobicContact CD1-CD2 4.41Å; L356-L372 HydrophobicContact CD2-CD1 4.22Å; L356-L372 HydrophobicContact CD2-CD2 4.38Å; I363-L372 HydrophobicContact CD1-CD1 3.76Å; I363-L372 HydrophobicContact CD1-CD2 3.79Å; I363-L372 HydrophobicContact CD1-CG 4.03Å; I363-L372 HydrophobicContact CG1-CD1 4.37Å; I363-L372 HydrophobicContact CG2-CD1 4.41Å; L369-L372 HydrophobicContact CD1-CD1 4.05Å; L369-L372 WeakPolarHBondContact O-CB 3.49Å; L369-L372 WeakPolarHBondContact O-CG 3.35Å; L369-L372 PolarHBondContact O-N 3Å; L372-L376 HydrophobicContact CD2-CD2 4.22Å; L372-L377 HydrophobicContact CB-CD1 4.26Å; L372-L377 HydrophobicContact CB-CG 4.16Å; L372-L377 HydrophobicContact CD1-CD2 3.75Å; L372-L377 HydrophobicContact CD1-CG 4.29Å; L372-W400 PolarHBondContact O-NE1 3.13Å
373D94Very high94Very high71 Ų7142.9 Ų42.938%0.3823%0.228SC..  trans-66.4143170.8-173.5-92.8000112N333 Y336 T375 L376 L377N333-D373 PolarHBondContact OD1-N 2.95Å; Y336-D373 HydrophobicContact CD1-CB 4.47Å; D373-T375 PolarHBondContact O-N 3.33Å; D373-T375 WeakPolarHBondContact OD1-CA 3.36Å; D373-T375 WeakPolarHBondContact OD1-CB 3.44Å; D373-T375 PolarHBondContact OD1-N 2.83Å; D373-T375 PolarHBondContact OD1-OG1 3.34Å; D373-L376 HydrophobicContact CB-CB 4.19Å; D373-L376 PolarHBondContact O-N 3Å; D373-L376 PolarHBondContact OD1-N 3.5Å; D373-L377 PolarHBondContact O-N 2.92Å; D373-L377 VanDerWaalsContact O-N 3.09Å
374E96Very high93.9Very high58 Ų5843.9 Ų43.927%0.27123%0.234SC..Hα-helixtrans-64.3-39.2-179.6-172.6-176159.100111.7L376 L377 I378 W400 N445E374-L376 VanDerWaalsContact C-N 3.34Å; E374-L376 PolarHBondContact O-N 3.39Å; E374-L377 WeakPolarHBondContact O-CB 3.31Å; E374-L377 PolarHBondContact O-N 3.39Å; E374-I378 HydrophobicContact CG-CD1 3.96Å; E374-I378 HydrophobicContact CG-CG1 4.43Å; E374-I378 VanDerWaalsContact O-CG1 3.29Å; E374-I378 WeakPolarHBondContact O-CG1 3.06Å; E374-I378 PolarHBondContact O-N 3.24Å; E374-W400 HydrophobicContact CB-CH2 3.83Å; E374-W400 HydrophobicContact CB-CZ2 3.89Å; E374-W400 HydrophobicContact CG-CH2 3.82Å; E374-W400 HydrophobicContact CG-CZ2 4.34Å; E374-N445 WeakPolarHBondContact OE1-CB 3.32Å; E374-N445 PolarHBondContact OE1-ND2 2.91Å
375T96.7Very high94Very high75 Ų7544.6 Ų44.646%0.4624%0.237SC..Hα-helixtrans-70.9-34.5-178.277.50000111.4Y336 D373 I378 E379Y336-T375 WeakPolarHBondContact CE1-OG1 3.42Å; Y336-T375 PolarHBondContact OH-OG1 3.38Å; Y336-T375 VanDerWaalsContact OH-OG1 3.06Å; D373-T375 PolarHBondContact O-N 3.33Å; D373-T375 WeakPolarHBondContact OD1-CA 3.36Å; D373-T375 WeakPolarHBondContact OD1-CB 3.44Å; D373-T375 PolarHBondContact OD1-N 2.83Å; D373-T375 PolarHBondContact OD1-OG1 3.34Å; T375-I378 PolarHBondContact O-N 3.18Å; T375-E379 WeakPolarHBondContact O-CB 3.29Å; T375-E379 PolarHBondContact O-N 2.92Å
376L97.3Very high94.3Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-61.1-47.9170.817655.2000111L332 Y336 V353 L356 L372 D373 E374 I378 E379 T380L332-L376 HydrophobicContact CD1-CD2 4.17Å; L332-L376 HydrophobicContact CD2-CD2 4.09Å; L332-L376 HydrophobicContact CG-CD2 3.92Å; Y336-L376 HydrophobicContact CD1-CB 3.78Å; Y336-L376 HydrophobicContact CD1-CD2 4.4Å; Y336-L376 HydrophobicContact CD1-CG 4.48Å; Y336-L376 HydrophobicContact CD2-CB 4.32Å; Y336-L376 HydrophobicContact CD2-CD1 3.71Å; Y336-L376 HydrophobicContact CD2-CG 4.38Å; Y336-L376 HydrophobicContact CE1-CB 3.6Å; Y336-L376 HydrophobicContact CE2-CB 4.14Å; Y336-L376 HydrophobicContact CE2-CD1 3.76Å; Y336-L376 HydrophobicContact CE2-CG 4.48Å; Y336-L376 HydrophobicContact CG-CB 4.13Å; Y336-L376 HydrophobicContact CG-CD1 4.14Å; Y336-L376 HydrophobicContact CG-CD2 4.14Å; Y336-L376 HydrophobicContact CG-CG 4.35Å; Y336-L376 PolarHBondContact OH-N 2.89Å; V353-L376 HydrophobicContact CG2-CD1 4.06Å; L356-L376 HydrophobicContact CD2-CD1 4.01Å; L356-L376 HydrophobicContact CD2-CD2 3.96Å; L356-L376 HydrophobicContact CD2-CG 3.61Å; L372-L376 HydrophobicContact CD2-CD2 4.22Å; D373-L376 HydrophobicContact CB-CB 4.19Å; D373-L376 PolarHBondContact O-N 3Å; D373-L376 PolarHBondContact OD1-N 3.5Å; E374-L376 VanDerWaalsContact C-N 3.34Å; E374-L376 PolarHBondContact O-N 3.39Å; L376-I378 PolarHBondContact O-N 2.83Å; L376-E379 PolarHBondContact O-N 3.14Å; L376-T380 WeakPolarHBondContact O-CB 3.34Å; L376-T380 PolarHBondContact O-N 3.28Å; L376-T380 PolarHBondContact O-OG1 2.97Å
377L97.3Very high94.5Very high2 Ų238.4 Ų38.41%0.0120%0.201CC..Hα-helixtrans-58.7-47175.5-78171.5000111.9F360 L372 D373 E374 E379 L381 W400 L446F360-L377 HydrophobicContact CE2-CD2 4.06Å; F360-L377 HydrophobicContact CZ-CD2 4.46Å; L372-L377 HydrophobicContact CB-CD1 4.26Å; L372-L377 HydrophobicContact CB-CG 4.16Å; L372-L377 HydrophobicContact CD1-CD2 3.75Å; L372-L377 HydrophobicContact CD1-CG 4.29Å; D373-L377 PolarHBondContact O-N 2.92Å; D373-L377 VanDerWaalsContact O-N 3.09Å; E374-L377 WeakPolarHBondContact O-CB 3.31Å; E374-L377 PolarHBondContact O-N 3.39Å; L377-E379 VanDerWaalsContact C-N 3.33Å; L377-E379 PolarHBondContact O-N 3.26Å; L377-L381 VanDerWaalsContact O-CB 3.25Å; L377-L381 WeakPolarHBondContact O-CB 3.36Å; L377-L381 WeakPolarHBondContact O-CG 3.26Å; L377-L381 PolarHBondContact O-N 3.47Å; L377-W400 HydrophobicContact CD1-CD2 3.77Å; L377-W400 HydrophobicContact CD1-CE3 4.47Å; L377-W400 HydrophobicContact CD1-CG 3.84Å; L377-W400 HydrophobicContact CD1-CZ2 4.22Å; L377-L446 HydrophobicContact CB-CD2 3.81Å; L377-L446 HydrophobicContact CD1-CD1 4.41Å
378I97.6Very high94.7Very high34 Ų3434.3 Ų34.317%0.17417%0.174CC..Hα-helixtrans-57.7-48.2178.4-73167.2000110.5E374 T375 L376 L381 K382 N445 L446 L449E374-I378 HydrophobicContact CG-CD1 3.96Å; E374-I378 HydrophobicContact CG-CG1 4.43Å; E374-I378 VanDerWaalsContact O-CG1 3.29Å; E374-I378 WeakPolarHBondContact O-CG1 3.06Å; E374-I378 PolarHBondContact O-N 3.24Å; T375-I378 PolarHBondContact O-N 3.18Å; L376-I378 PolarHBondContact O-N 2.83Å; I378-L381 PolarHBondContact O-N 2.94Å; I378-K382 HydrophobicContact CG2-CD 4.5Å; I378-K382 WeakPolarHBondContact O-CG 3.29Å; I378-K382 PolarHBondContact O-N 3.46Å; I378-N445 HydrophobicContact CD1-CB 3.84Å; I378-N445 HydrophobicContact CG1-CB 4.49Å; I378-L446 HydrophobicContact CG1-CD2 3.69Å; I378-L449 HydrophobicContact CB-CD1 4.14Å; I378-L449 HydrophobicContact CG1-CD1 4.16Å; I378-L449 HydrophobicContact CG2-CD1 4.03Å
379E95.7Very high94.7Very high49 Ų4934.6 Ų34.623%0.22918%0.179CC..Hα-helixtrans-68.1-45-176.3-170.4169.8-164.200112.3Y336 R349 V353 T375 L376 L377 L381 K382Y336-E379 PolarHBondContact OH-OE2 2.93Å; R349-E379 IonicContact CZ-OE1 2.81Å; R349-E379 IonicContact CZ-OE2 3.76Å; R349-E379 IonicContact NH1-OE1 3.99Å; R349-E379 PolarHBondContact NH1-OE1 3.39Å; R349-E379 IonicContact NH1-OE2 3.1Å; R349-E379 PolarHBondContact NH1-OE2 3.44Å; R349-E379 VanDerWaalsContact NH2-CD 3.33Å; R349-E379 IonicContact NH2-OE1 3.48Å; R349-E379 PolarHBondContact NH2-OE1 3.46Å; R349-E379 IonicContact NH2-OE2 3.45Å; R349-E379 PolarHBondContact NH2-OE2 3.06Å; V353-E379 HydrophobicContact CG1-CG 3.99Å; V353-E379 HydrophobicContact CG2-CB 4.28Å; V353-E379 VanDerWaalsContact CG2-CD 3.46Å; V353-E379 HydrophobicContact CG2-CG 3.78Å; T375-E379 WeakPolarHBondContact O-CB 3.29Å; T375-E379 PolarHBondContact O-N 2.92Å; L376-E379 PolarHBondContact O-N 3.14Å; L377-E379 VanDerWaalsContact C-N 3.33Å; L377-E379 PolarHBondContact O-N 3.26Å; E379-L381 VanDerWaalsContact C-N 3.31Å; E379-L381 PolarHBondContact O-N 3.01Å; E379-K382 WeakPolarHBondContact O-CB 3.28Å; E379-K382 PolarHBondContact O-N 2.7Å; E379-K382 VanDerWaalsContact O-N 3.14Å
380T96.8Very high94.4Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-58.8-44.9173.4-66.80000111V353 L356 A357 F360 L376 K382 S383 V386V353-T380 PolarHBondContact O-OG1 2.91Å; L356-T380 HydrophobicContact CB-CG2 4.31Å; L356-T380 HydrophobicContact CD2-CG2 4.26Å; L356-T380 WeakPolarHBondContact CD2-OG1 2.92Å; L356-T380 HydrophobicContact CG-CG2 4.01Å; A357-T380 HydrophobicContact CB-CG2 3.94Å; F360-T380 HydrophobicContact CD2-CG2 4.07Å; F360-T380 HydrophobicContact CE2-CG2 4.49Å; L376-T380 WeakPolarHBondContact O-CB 3.34Å; L376-T380 PolarHBondContact O-N 3.28Å; L376-T380 PolarHBondContact O-OG1 2.97Å; T380-K382 PolarHBondContact O-N 2.89Å; T380-S383 VanDerWaalsContact O-CB 3.28Å; T380-S383 WeakPolarHBondContact O-CB 3.14Å; T380-S383 PolarHBondContact O-N 3.34Å; T380-V386 HydrophobicContact CG2-CG2 3.86Å; T380-V386 WeakPolarHBondContact O-CG2 3.48Å
381L95.5Very high94.2Very high1 Ų135.1 Ų35.11%0.00518%0.183CC..Hα-helixtrans-72.6-10.8-179.9-66.1173.6000113.8F360 L377 I378 E379 S383 I393 I397 L446 L449 R502F360-L381 HydrophobicContact CE2-CD2 4.15Å; F360-L381 HydrophobicContact CZ-CD2 4.07Å; L377-L381 VanDerWaalsContact O-CB 3.25Å; L377-L381 WeakPolarHBondContact O-CB 3.36Å; L377-L381 WeakPolarHBondContact O-CG 3.26Å; L377-L381 PolarHBondContact O-N 3.47Å; I378-L381 PolarHBondContact O-N 2.94Å; E379-L381 VanDerWaalsContact C-N 3.31Å; E379-L381 PolarHBondContact O-N 3.01Å; L381-S383 VanDerWaalsContact C-N 3.32Å; L381-I393 HydrophobicContact CD1-CG2 4.43Å; L381-I393 HydrophobicContact CD2-CB 4.48Å; L381-I393 HydrophobicContact CD2-CD1 4.09Å; L381-I393 HydrophobicContact CD2-CG1 4.15Å; L381-I393 HydrophobicContact CD2-CG2 3.54Å; L381-I397 HydrophobicContact CD1-CD1 3.61Å; L381-I397 HydrophobicContact CD1-CG1 4.12Å; L381-L446 HydrophobicContact CD1-CD2 4.13Å; L381-L449 HydrophobicContact CB-CB 3.99Å; L381-L449 HydrophobicContact CB-CD1 3.88Å; L381-L449 HydrophobicContact CD1-CD1 4.5Å; L381-R502 PolarHBondContact O-NH1 2.86Å; L381-R502 PolarHBondContact O-NH2 3.23Å
382K93.3Very high94.3Very high141 Ų14132.6 Ų32.661%0.61317%0.168SC*.Hα-helixtrans-73.3-26.9166.6-75.3172179.5179.70112.2I378 E379 T380 L449I378-K382 HydrophobicContact CG2-CD 4.5Å; I378-K382 WeakPolarHBondContact O-CG 3.29Å; I378-K382 PolarHBondContact O-N 3.46Å; E379-K382 WeakPolarHBondContact O-CB 3.28Å; E379-K382 PolarHBondContact O-N 2.7Å; E379-K382 VanDerWaalsContact O-N 3.14Å; T380-K382 PolarHBondContact O-N 2.89Å; K382-L449 HydrophobicContact CG-CD2 4.09Å
383S92.1Very high94.3Very high31 Ų3132.4 Ų32.422%0.21717%0.167CC..  trans-69.1131.5-177.4178.40000113.1T380 L381 F385 V386 R502T380-S383 VanDerWaalsContact O-CB 3.28Å; T380-S383 WeakPolarHBondContact O-CB 3.14Å; T380-S383 PolarHBondContact O-N 3.34Å; L381-S383 VanDerWaalsContact C-N 3.32Å; S383-F385 PolarHBondContact O-N 3.15Å; S383-F385 VanDerWaalsContact O-N 3.12Å; S383-F385 PolarHBondContact OG-N 3.24Å; S383-V386 WeakPolarHBondContact O-CG2 3.47Å; S383-R502 PolarHBondContact O-NH1 3.31Å
384D90.4Very high94.3Very high22 Ų2229 Ų2912%0.11815%0.149CC..THydrogen-bonded Turntrans-64-13.1172-78.1-28.4000114.4R451 R502 L503 Y601D384-R451 IonicContact OD1-CZ 3.22Å; D384-R451 IonicContact OD1-NH1 2.81Å; D384-R451 PolarHBondContact OD1-NH1 3.18Å; D384-R451 IonicContact OD1-NH2 2.92Å; D384-R451 PolarHBondContact OD1-NH2 3.04Å; D384-R502 CarbonylContact O-C 3.51Å; D384-R502 WeakPolarHBondContact O-CA 3.49Å; D384-R502 WeakPolarHBondContact O-CB 3.4Å; D384-L503 PolarHBondContact O-N 2.91Å; D384-Y601 WeakPolarHBondContact OD2-CE1 3.48Å; D384-Y601 VanDerWaalsContact OD2-CZ 3.32Å; D384-Y601 PolarHBondContact OD2-OH 3.45Å
385F93.9Very high94.1Very high20 Ų2028 Ų289%0.08815%0.146CC..THydrogen-bonded Turntrans-107.310.3-166.1-47.2-59.2000113.9S20 L23 R24 T27 S383 Q387 L503S20-F385 WeakPolarHBondContact O-CE1 3.2Å; L23-F385 HydrophobicContact CB-CE1 4.44Å; L23-F385 HydrophobicContact CB-CZ 4.04Å; L23-F385 HydrophobicContact CD2-CZ 3.86Å; L23-F385 HydrophobicContact CG-CZ 3.81Å; R24-F385 HydrophobicContact CB-CD1 3.55Å; R24-F385 HydrophobicContact CB-CD2 4.45Å; R24-F385 HydrophobicContact CB-CE1 3.66Å; R24-F385 HydrophobicContact CB-CG 3.98Å; R24-F385 HydrophobicContact CB-CZ 4.18Å; R24-F385 HydrophobicContact CG-CB 4.01Å; R24-F385 HydrophobicContact CG-CD1 3.78Å; R24-F385 HydrophobicContact CG-CD2 4.32Å; R24-F385 HydrophobicContact CG-CE1 4.37Å; R24-F385 HydrophobicContact CG-CG 3.75Å; T27-F385 HydrophobicContact CG2-CD2 4.12Å; T27-F385 HydrophobicContact CG2-CE2 3.89Å; T27-F385 WeakPolarHBondContact OG1-CE2 3.38Å; S383-F385 PolarHBondContact O-N 3.15Å; S383-F385 VanDerWaalsContact O-N 3.12Å; S383-F385 PolarHBondContact OG-N 3.24Å; F385-Q387 PolarHBondContact O-N 3.13Å; F385-Q387 PolarHBondContact O-NE2 3.27Å; F385-L503 HydrophobicContact CD1-CB 4.13Å; F385-L503 HydrophobicContact CD1-CD2 4.13Å; F385-L503 HydrophobicContact CE1-CD2 4.5Å
386V95.9Very high94Very high0 Ų024.4 Ų24.40%013%0.125CC..  trans-56.6122.8174.6-179.50000110.2A357 F360 T380 S383 A388 I393A357-V386 HydrophobicContact CB-CG2 4.25Å; F360-V386 HydrophobicContact CB-CG1 3.64Å; F360-V386 HydrophobicContact CD1-CG1 4.2Å; F360-V386 HydrophobicContact CD2-CG1 4.06Å; F360-V386 HydrophobicContact CG-CG1 3.69Å; T380-V386 HydrophobicContact CG2-CG2 3.86Å; T380-V386 WeakPolarHBondContact O-CG2 3.48Å; S383-V386 WeakPolarHBondContact O-CG2 3.47Å; V386-A388 HydrophobicContact CG1-CB 4.31Å; V386-A388 PolarHBondContact O-N 3.45Å; V386-I393 HydrophobicContact CG1-CD1 4.28Å
387Q96.2Very high93.9Very high13 Ų1324.5 Ų24.56%0.06113%0.125CC..SBendtrans-83.365-179.4-66.1-50.5-55.200111.9A357 E358 S361 F385 L503 M505A357-Q387 PolarHBondContact O-N 2.71Å; E358-Q387 WeakPolarHBondContact O-CB 3.4Å; E358-Q387 WeakPolarHBondContact OE2-CG 3.39Å; S361-Q387 WeakPolarHBondContact CB-O 3.43Å; S361-Q387 PolarHBondContact N-O 3.08Å; S361-Q387 PolarHBondContact OG-O 2.9Å; F385-Q387 PolarHBondContact O-N 3.13Å; F385-Q387 PolarHBondContact O-NE2 3.27Å; Q387-L503 PolarHBondContact NE2-O 3.38Å; Q387-M505 VanDerWaalsContact OE1-N 3.09Å
388A94.5Very high93.6Very high1 Ų125.3 Ų25.31%0.00813%0.13CC..SBendtrans-153.3155.617100000110.9F360 V386 E392 I393F360-A388 HydrophobicContact CB-CB 4.23Å; F360-A388 HydrophobicContact CD1-CB 3.62Å; F360-A388 HydrophobicContact CE1-CB 4.49Å; F360-A388 HydrophobicContact CG-CB 4.32Å; V386-A388 HydrophobicContact CG1-CB 4.31Å; V386-A388 PolarHBondContact O-N 3.45Å; A388-E392 HydrophobicContact CB-CB 4.22Å; A388-I393 HydrophobicContact CB-CD1 4.5Å; A388-I393 HydrophobicContact CB-CG1 4Å
389S91.5Very high93.4Very high37 Ų3727.1 Ų27.126%0.25913%0.134SC..  trans-73.1152.1167.964.40000111.2L391 E392 I393S389-L391 PolarHBondContact O-N 2.89Å; S389-L391 VanDerWaalsContact O-N 3.09Å; S389-E392 WeakPolarHBondContact CB-OE2 3.12Å; S389-E392 PolarHBondContact N-OE2 3.35Å; S389-E392 WeakPolarHBondContact O-CA 3.18Å; S389-E392 WeakPolarHBondContact O-CB 3.27Å; S389-E392 PolarHBondContact O-N 3.48Å; S389-E392 VanDerWaalsContact OG-CD 3.28Å; S389-E392 VanDerWaalsContact OG-CG 3.28Å; S389-E392 WeakPolarHBondContact OG-CG 3.47Å; S389-E392 PolarHBondContact OG-N 3.27Å; S389-E392 PolarHBondContact OG-OE2 3.34Å; S389-I393 WeakPolarHBondContact O-CG1 3.3Å; S389-I393 PolarHBondContact O-N 3.46Å
390E90.1Very high93.4Very high12 Ų1225.1 Ų25.16%0.05612%0.124CC..Hα-helixtrans-57.1-28.5175.5-64.7-62.8155.900112.8L394 I450 R451 I455 R502E390-L394 WeakPolarHBondContact O-CB 3.49Å; E390-L394 PolarHBondContact O-N 3.04Å; E390-I450 WeakPolarHBondContact OE2-CG2 3.48Å; E390-R451 HydrophobicContact CG-CB 4.17Å; E390-R451 PolarHBondContact OE2-N 3.47Å; E390-I455 HydrophobicContact CB-CD1 4.08Å; E390-I455 HydrophobicContact CB-CG1 3.61Å; E390-R502 WeakPolarHBondContact OE1-CD 3.34Å; E390-R502 WeakPolarHBondContact OE1-CG 3.45Å; E390-R502 IonicContact OE1-CZ 3.63Å; E390-R502 IonicContact OE1-NE 3.59Å; E390-R502 PolarHBondContact OE1-NE 3.42Å; E390-R502 IonicContact OE2-NE 2.77Å
391L89.1Confident93.2Very high52 Ų5225.1 Ų25.127%0.27212%0.124SC..Hα-helixtrans-67.2-44.9172.8178.965.9000112S389 I393 L394 V395 N459 L461S389-L391 PolarHBondContact O-N 2.89Å; S389-L391 VanDerWaalsContact O-N 3.09Å; L391-I393 VanDerWaalsContact C-N 3.32Å; L391-L394 PolarHBondContact O-N 3.44Å; L391-V395 VanDerWaalsContact O-CG2 3.29Å; L391-V395 WeakPolarHBondContact O-CG2 3.45Å; L391-V395 PolarHBondContact O-N 3.08Å; L391-N459 HydrophobicContact CD1-CB 4.47Å; L391-N459 VanDerWaalsContact CD1-ND2 3.31Å; L391-N459 WeakPolarHBondContact CD1-ND2 3.32Å; L391-N459 WeakPolarHBondContact CD2-ND2 3.25Å; L391-L461 HydrophobicContact CD1-CD1 4.49Å
392E92.5Very high93Very high61 Ų6127.7 Ų27.729%0.28514%0.137SC..Hα-helixtrans-65-38.9176.6-74162.4141.300111.1V364 A388 S389 V395 A396V364-E392 HydrophobicContact CG2-CB 4.27Å; A388-E392 HydrophobicContact CB-CB 4.22Å; S389-E392 WeakPolarHBondContact CB-OE2 3.12Å; S389-E392 PolarHBondContact N-OE2 3.35Å; S389-E392 WeakPolarHBondContact O-CA 3.18Å; S389-E392 WeakPolarHBondContact O-CB 3.27Å; S389-E392 PolarHBondContact O-N 3.48Å; S389-E392 VanDerWaalsContact OG-CD 3.28Å; S389-E392 VanDerWaalsContact OG-CG 3.28Å; S389-E392 WeakPolarHBondContact OG-CG 3.47Å; S389-E392 PolarHBondContact OG-N 3.27Å; S389-E392 PolarHBondContact OG-OE2 3.34Å; E392-V395 PolarHBondContact O-N 2.87Å; E392-A396 WeakPolarHBondContact O-CB 3.39Å; E392-A396 PolarHBondContact O-N 3.42Å
393I94.7Very high92.9Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-59-50.3173-67.3171.6000110.5F360 L381 V386 A388 S389 L391 V395 A396 I397 I450F360-I393 HydrophobicContact CD1-CG1 4.24Å; F360-I393 HydrophobicContact CE1-CB 4.43Å; F360-I393 HydrophobicContact CE1-CG1 3.88Å; L381-I393 HydrophobicContact CD1-CG2 4.43Å; L381-I393 HydrophobicContact CD2-CB 4.48Å; L381-I393 HydrophobicContact CD2-CD1 4.09Å; L381-I393 HydrophobicContact CD2-CG1 4.15Å; L381-I393 HydrophobicContact CD2-CG2 3.54Å; V386-I393 HydrophobicContact CG1-CD1 4.28Å; A388-I393 HydrophobicContact CB-CD1 4.5Å; A388-I393 HydrophobicContact CB-CG1 4Å; S389-I393 WeakPolarHBondContact O-CG1 3.3Å; S389-I393 PolarHBondContact O-N 3.46Å; L391-I393 VanDerWaalsContact C-N 3.32Å; I393-V395 VanDerWaalsContact C-N 3.31Å; I393-V395 PolarHBondContact O-N 3.45Å; I393-A396 PolarHBondContact O-N 3.12Å; I393-I397 HydrophobicContact CG2-CD1 3.53Å; I393-I397 HydrophobicContact CG2-CG1 4.42Å; I393-I397 WeakPolarHBondContact O-CB 3.44Å; I393-I397 VanDerWaalsContact O-CG1 3.31Å; I393-I397 WeakPolarHBondContact O-CG1 3.23Å; I393-I397 PolarHBondContact O-N 3.2Å; I393-I450 HydrophobicContact CG2-CG1 4.07Å
394L92.2Very high93Very high0 Ų023.7 Ų23.70%012%0.117CC..Hα-helixtrans-58-43.7176176.862.2000111.9E390 L391 L398 L447 I450 F452 I455 F462E390-L394 WeakPolarHBondContact O-CB 3.49Å; E390-L394 PolarHBondContact O-N 3.04Å; L391-L394 PolarHBondContact O-N 3.44Å; L394-L398 HydrophobicContact CD1-CD1 3.92Å; L394-L398 HydrophobicContact CD1-CG 4.04Å; L394-L398 HydrophobicContact CG-CD1 3.99Å; L394-L398 HydrophobicContact CG-CG 4.48Å; L394-L398 WeakPolarHBondContact O-CB 3.31Å; L394-L398 VanDerWaalsContact O-CG 3.24Å; L394-L398 WeakPolarHBondContact O-CG 3.49Å; L394-L398 PolarHBondContact O-N 3.21Å; L394-L447 HydrophobicContact CD1-CD2 4.39Å; L394-I450 HydrophobicContact CB-CD1 4.19Å; L394-I450 HydrophobicContact CD1-CD1 3.75Å; L394-F452 HydrophobicContact CD1-CE1 4.22Å; L394-I455 HydrophobicContact CB-CD1 4.11Å; L394-I455 HydrophobicContact CD2-CD1 3.88Å; L394-F462 HydrophobicContact CD2-CB 4.46Å; L394-F462 HydrophobicContact CD2-CD2 4.15Å
395V92.1Very high93Very high36 Ų3623.3 Ų23.322%0.21811%0.114CC..Hα-helixtrans-62.4-45.7177.4168.70000111.5V364 L391 E392 I393 R399 L461V364-V395 HydrophobicContact CG1-CG1 4.08Å; L391-V395 VanDerWaalsContact O-CG2 3.29Å; L391-V395 WeakPolarHBondContact O-CG2 3.45Å; L391-V395 PolarHBondContact O-N 3.08Å; E392-V395 PolarHBondContact O-N 2.87Å; I393-V395 VanDerWaalsContact C-N 3.31Å; I393-V395 PolarHBondContact O-N 3.45Å; V395-R399 WeakPolarHBondContact O-CB 3.39Å; V395-R399 VanDerWaalsContact O-CG 3.28Å; V395-R399 WeakPolarHBondContact O-CG 3.31Å; V395-R399 PolarHBondContact O-N 2.78Å; V395-L461 HydrophobicContact CG2-CD1 3.68Å
396A94.9Very high92.7Very high1 Ų125.7 Ų25.71%0.00813%0.13CC..Hα-helixtrans-61.1-48.9178.600000111.3F360 V364 L369 E392 I393 L398 R399 W400F360-A396 HydrophobicContact CE1-CB 3.85Å; F360-A396 HydrophobicContact CZ-CB 4.07Å; V364-A396 HydrophobicContact CB-CB 4.26Å; V364-A396 HydrophobicContact CG1-CB 4.1Å; V364-A396 HydrophobicContact CG2-CB 3.77Å; L369-A396 HydrophobicContact CD1-CB 4.06Å; L369-A396 HydrophobicContact CD2-CB 4.33Å; E392-A396 WeakPolarHBondContact O-CB 3.39Å; E392-A396 PolarHBondContact O-N 3.42Å; I393-A396 PolarHBondContact O-N 3.12Å; A396-L398 PolarHBondContact O-N 3.36Å; A396-R399 PolarHBondContact O-N 3Å; A396-W400 WeakPolarHBondContact O-CB 3.44Å; A396-W400 PolarHBondContact O-N 3.33Å
397I94.8Very high92.4Very high1 Ų131.7 Ų31.71%0.00515%0.153CC..Hα-helixtrans-62.3-45.3-179.6-69.5164000111.1L381 I393 R399 W400 G401 L443 L446 I450L381-I397 HydrophobicContact CD1-CD1 3.61Å; L381-I397 HydrophobicContact CD1-CG1 4.12Å; I393-I397 HydrophobicContact CG2-CD1 3.53Å; I393-I397 HydrophobicContact CG2-CG1 4.42Å; I393-I397 WeakPolarHBondContact O-CB 3.44Å; I393-I397 VanDerWaalsContact O-CG1 3.31Å; I393-I397 WeakPolarHBondContact O-CG1 3.23Å; I393-I397 PolarHBondContact O-N 3.2Å; I397-R399 VanDerWaalsContact C-N 3.35Å; I397-R399 PolarHBondContact O-N 3.41Å; I397-W400 PolarHBondContact O-N 3.18Å; I397-G401 PolarHBondContact O-N 2.86Å; I397-L443 HydrophobicContact CG2-CD2 3.56Å; I397-L443 WeakPolarHBondContact O-CD2 3.42Å; I397-L446 HydrophobicContact CD1-CB 4.35Å; I397-L446 HydrophobicContact CG1-CB 4.45Å; I397-L446 HydrophobicContact CG2-CB 3.82Å; I397-L446 HydrophobicContact CG2-CD1 4.1Å; I397-I450 HydrophobicContact CD1-CD1 3.5Å; I397-I450 HydrophobicContact CD1-CG1 3.58Å
398L91.7Very high92Very high20 Ų2033.2 Ų33.211%0.10516%0.161CC..Hα-helixtrans-61.8-43.2177.2-72.2173.7000111.7L394 A396 G401 E402 L443 A465 L470L394-L398 HydrophobicContact CD1-CD1 3.92Å; L394-L398 HydrophobicContact CD1-CG 4.04Å; L394-L398 HydrophobicContact CG-CD1 3.99Å; L394-L398 HydrophobicContact CG-CG 4.48Å; L394-L398 WeakPolarHBondContact O-CB 3.31Å; L394-L398 VanDerWaalsContact O-CG 3.24Å; L394-L398 WeakPolarHBondContact O-CG 3.49Å; L394-L398 PolarHBondContact O-N 3.21Å; A396-L398 PolarHBondContact O-N 3.36Å; L398-G401 PolarHBondContact O-N 2.95Å; L398-E402 WeakPolarHBondContact O-CB 3.45Å; L398-E402 VanDerWaalsContact O-CG 3.29Å; L398-E402 WeakPolarHBondContact O-CG 3.27Å; L398-E402 PolarHBondContact O-N 3.49Å; L398-L443 HydrophobicContact CD2-CD1 3.86Å; L398-A465 HydrophobicContact CD1-CB 4.34Å; L398-L470 HydrophobicContact CD2-CD1 3.78Å
399R92.8Very high91.4Very high71 Ų7135.3 Ų35.327%0.26817%0.171SC..Hα-helixtrans-64.3-43.7176.8-77.2174.359.1169.6-5.6112.2V364 N365 L369 F370 V395 A396 I397 H403V364-R399 PolarHBondContact O-NH1 2.88Å; V364-R399 PolarHBondContact O-NH2 2.81Å; N365-R399 PolarHBondContact OD1-NH1 3.36Å; L369-R399 HydrophobicContact CD2-CB 3.87Å; F370-R399 HydrophobicContact CE1-CB 4.25Å; V395-R399 WeakPolarHBondContact O-CB 3.39Å; V395-R399 VanDerWaalsContact O-CG 3.28Å; V395-R399 WeakPolarHBondContact O-CG 3.31Å; V395-R399 PolarHBondContact O-N 2.78Å; A396-R399 PolarHBondContact O-N 3Å; I397-R399 VanDerWaalsContact C-N 3.35Å; I397-R399 PolarHBondContact O-N 3.41Å; R399-H403 PolarHBondContact O-N 2.83Å; R399-H403 VanDerWaalsContact O-N 3.08Å
400W95.7Very high91.1Very high7 Ų738.7 Ų38.73%0.02718%0.183CC..Hα-helixtrans-61-49.9176.2177.790.1000110.8L369 L372 E374 L377 A396 I397 E402 H403 Q404 I442 L443 L446L369-W400 HydrophobicContact CD1-CB 4.34Å; L369-W400 HydrophobicContact CG-CB 4.33Å; L369-W400 VanDerWaalsContact O-CD1 3.25Å; L372-W400 PolarHBondContact O-NE1 3.13Å; E374-W400 HydrophobicContact CB-CH2 3.83Å; E374-W400 HydrophobicContact CB-CZ2 3.89Å; E374-W400 HydrophobicContact CG-CH2 3.82Å; E374-W400 HydrophobicContact CG-CZ2 4.34Å; L377-W400 HydrophobicContact CD1-CD2 3.77Å; L377-W400 HydrophobicContact CD1-CE3 4.47Å; L377-W400 HydrophobicContact CD1-CG 3.84Å; L377-W400 HydrophobicContact CD1-CZ2 4.22Å; A396-W400 WeakPolarHBondContact O-CB 3.44Å; A396-W400 PolarHBondContact O-N 3.33Å; I397-W400 PolarHBondContact O-N 3.18Å; W400-E402 PolarHBondContact O-N 3.42Å; W400-H403 WeakPolarHBondContact O-CB 3.13Å; W400-H403 PolarHBondContact O-N 3.11Å; W400-H403 VanDerWaalsContact O-N 3.14Å; W400-Q404 HydrophobicContact CD2-CG 3.94Å; W400-Q404 HydrophobicContact CE3-CG 4.15Å; W400-Q404 HydrophobicContact CH2-CG 3.93Å; W400-Q404 HydrophobicContact CZ2-CG 3.72Å; W400-Q404 HydrophobicContact CZ3-CG 4.14Å; W400-Q404 WeakPolarHBondContact O-CG 3.41Å; W400-Q404 PolarHBondContact O-N 3.45Å; W400-I442 HydrophobicContact CH2-CG2 4.43Å; W400-I442 HydrophobicContact CZ3-CG2 3.82Å; W400-L443 HydrophobicContact CE3-CD2 4.19Å; W400-L443 HydrophobicContact CZ3-CD2 4.41Å; W400-L446 HydrophobicContact CD2-CD1 4.39Å; W400-L446 HydrophobicContact CE3-CD1 3.56Å; W400-L446 HydrophobicContact CH2-CD1 4.14Å; W400-L446 HydrophobicContact CZ3-CD1 3.42Å; W400-L446 VanDerWaalsContact CZ3-CD1 3.42Å
401G93.4Very high90.7Very high0 Ų044.5 Ų44.50%021%0.21CC..Hα-helixtrans-63.7-40.5179.500000113.2I397 L398 H403 Q404 L405 L439I397-G401 PolarHBondContact O-N 2.86Å; L398-G401 PolarHBondContact O-N 2.95Å; G401-H403 VanDerWaalsContact C-N 3.27Å; G401-H403 PolarHBondContact O-N 3.49Å; G401-Q404 PolarHBondContact O-N 2.87Å; G401-L405 WeakPolarHBondContact O-CB 3.43Å; G401-L405 PolarHBondContact O-N 3.14Å; G401-L439 WeakPolarHBondContact O-CD1 3.26Å
402E91.2Very high90.3Very high56 Ų5649.7 Ų49.726%0.26223%0.226SC..Hα-helixtrans-62.3-36.6174.7-76.6-176.5177.200111.7L398 W400 T406 R431 L439 R468L398-E402 WeakPolarHBondContact O-CB 3.45Å; L398-E402 VanDerWaalsContact O-CG 3.29Å; L398-E402 WeakPolarHBondContact O-CG 3.27Å; L398-E402 PolarHBondContact O-N 3.49Å; W400-E402 PolarHBondContact O-N 3.42Å; E402-T406 PolarHBondContact O-N 3.27Å; E402-T406 VanDerWaalsContact O-N 3.09Å; E402-T406 PolarHBondContact O-OG1 2.86Å; E402-R431 IonicContact OE1-NH2 3.55Å; E402-R431 IonicContact OE2-NH2 2.75Å; E402-L439 HydrophobicContact CG-CD1 4.37Å; E402-L439 HydrophobicContact CG-CD2 3.98Å; E402-R468 IonicContact OE1-CZ 3.83Å; E402-R468 IonicContact OE1-NH1 3.68Å; E402-R468 PolarHBondContact OE1-NH1 3.22Å; E402-R468 IonicContact OE1-NH2 2.75Å
403H92Very high89.3Confident72 Ų7251.3 Ų51.333%0.33323%0.234SC..Hα-helixtrans-68.4-45.8174.2-173.381.1000112.1F370 R399 W400 G401 L405 T406 R407F370-H403 HydrophobicContact CB-CB 4.44Å; F370-H403 HydrophobicContact CD1-CB 3.53Å; F370-H403 AromaticContact CD1-CG 3.69Å; F370-H403 HydrophobicContact CE1-CB 3.98Å; F370-H403 HydrophobicContact CG-CB 4.08Å; F370-H403 AromaticContact CG-CG 3.69Å; F370-H403 AromaticContact CG-ND1 3.84Å; R399-H403 PolarHBondContact O-N 2.83Å; R399-H403 VanDerWaalsContact O-N 3.08Å; W400-H403 WeakPolarHBondContact O-CB 3.13Å; W400-H403 PolarHBondContact O-N 3.11Å; W400-H403 VanDerWaalsContact O-N 3.14Å; G401-H403 VanDerWaalsContact C-N 3.27Å; G401-H403 PolarHBondContact O-N 3.49Å; H403-L405 VanDerWaalsContact C-N 3.32Å; H403-L405 PolarHBondContact O-N 2.73Å; H403-T406 WeakPolarHBondContact O-CB 3.39Å; H403-T406 PolarHBondContact O-N 3.41Å; H403-T406 VanDerWaalsContact O-N 3.12Å; H403-R407 PolarHBondContact O-N 2.63Å
404Q92.7Very high87.5Confident16 Ų1654.8 Ų54.88%0.07526%0.256CS..Hα-helixtrans-62-40.1177.4-66.1-56.4-7.300112.4W400 G401 T406 R407 I408 I442W400-Q404 HydrophobicContact CD2-CG 3.94Å; W400-Q404 HydrophobicContact CE3-CG 4.15Å; W400-Q404 HydrophobicContact CH2-CG 3.93Å; W400-Q404 HydrophobicContact CZ2-CG 3.72Å; W400-Q404 HydrophobicContact CZ3-CG 4.14Å; W400-Q404 WeakPolarHBondContact O-CG 3.41Å; W400-Q404 PolarHBondContact O-N 3.45Å; G401-Q404 PolarHBondContact O-N 2.87Å; Q404-T406 VanDerWaalsContact C-N 3.33Å; Q404-T406 PolarHBondContact O-N 3.16Å; Q404-R407 PolarHBondContact O-N 3.23Å; Q404-I408 WeakPolarHBondContact O-CG1 3.25Å; Q404-I408 PolarHBondContact O-N 3.16Å; Q404-I442 HydrophobicContact CB-CG2 4.11Å
405L90.7Very high86Confident14 Ų1461.6 Ų61.67%0.07329%0.293CS..Hα-helixtrans-59.5-46.2173.218062.8000111G401 H403 R407 I408 M409 S435 E438 L439 I442G401-L405 WeakPolarHBondContact O-CB 3.43Å; G401-L405 PolarHBondContact O-N 3.14Å; H403-L405 VanDerWaalsContact C-N 3.32Å; H403-L405 PolarHBondContact O-N 2.73Å; L405-R407 VanDerWaalsContact C-N 3.31Å; L405-R407 PolarHBondContact O-N 3.26Å; L405-I408 PolarHBondContact O-N 3.45Å; L405-M409 HydrophobicContact CD1-CG 4.17Å; L405-M409 HydrophobicContact CD1-SD 4.18Å; L405-M409 HydrophobicContact CD2-SD 4.45Å; L405-M409 HydrophobicContact CG-CG 4.35Å; L405-M409 HydrophobicContact CG-SD 3.94Å; L405-M409 VanDerWaalsContact O-CG 3.24Å; L405-M409 WeakPolarHBondContact O-CG 3.42Å; L405-M409 PolarHBondContact O-N 2.89Å; L405-S435 WeakPolarHBondContact CD2-O 3.14Å; L405-E438 HydrophobicContact CD1-CB 3.82Å; L405-L439 HydrophobicContact CD2-CB 4.13Å; L405-I442 HydrophobicContact CB-CD1 3.8Å; L405-I442 HydrophobicContact CD1-CD1 4.01Å
406T89.1Confident84.2Confident69 Ų6965.2 Ų65.242%0.42331%0.31SS..Hα-helixtrans-57.9-44.7178-55.90000111.2E402 H403 Q404 M409 E410E402-T406 PolarHBondContact O-N 3.27Å; E402-T406 VanDerWaalsContact O-N 3.09Å; E402-T406 PolarHBondContact O-OG1 2.86Å; H403-T406 WeakPolarHBondContact O-CB 3.39Å; H403-T406 PolarHBondContact O-N 3.41Å; H403-T406 VanDerWaalsContact O-N 3.12Å; Q404-T406 VanDerWaalsContact C-N 3.33Å; Q404-T406 PolarHBondContact O-N 3.16Å; T406-M409 PolarHBondContact O-N 3.09Å; T406-E410 WeakPolarHBondContact O-CB 3.31Å; T406-E410 WeakPolarHBondContact O-CG 3.47Å; T406-E410 PolarHBondContact O-N 2.67Å
407R87.8Confident82.1Confident126 Ų12668.5 Ų68.548%0.47533%0.327SS..Hα-helixtrans-60.5-46.8176.9-171.4-178.770.2170.30.9112.2H403 Q404 L405 M409 E410 E411H403-R407 PolarHBondContact O-N 2.63Å; Q404-R407 PolarHBondContact O-N 3.23Å; L405-R407 VanDerWaalsContact C-N 3.31Å; L405-R407 PolarHBondContact O-N 3.26Å; R407-M409 VanDerWaalsContact C-N 3.32Å; R407-M409 PolarHBondContact O-N 3.01Å; R407-E410 PolarHBondContact O-N 3.47Å; R407-E411 WeakPolarHBondContact O-CG 3.47Å; R407-E411 PolarHBondContact O-N 2.84Å
408I87.7Confident79.9Confident45 Ų4571.7 Ų71.723%0.23135%0.354CS..Hα-helixtrans-62.5-40.4178.4-68.3164.7000111Q404 L405 E411 R412 I442Q404-I408 WeakPolarHBondContact O-CG1 3.25Å; Q404-I408 PolarHBondContact O-N 3.16Å; L405-I408 PolarHBondContact O-N 3.45Å; I408-E411 PolarHBondContact O-N 2.92Å; I408-R412 VanDerWaalsContact O-CG 3.3Å; I408-R412 WeakPolarHBondContact O-CG 3.25Å; I408-R412 PolarHBondContact O-N 2.93Å; I408-I442 HydrophobicContact CD1-CD1 3.85Å; I408-I442 HydrophobicContact CD1-CG1 4.32Å
409M83.6Confident77.6Confident45 Ų4573.9 Ų73.922%0.22238%0.381CS..Hα-helixtrans-67.3-41.9177.8-67.9-178.782.500112L405 T406 R407 E411 R412 E413 F429L405-M409 HydrophobicContact CD1-CG 4.17Å; L405-M409 HydrophobicContact CD1-SD 4.18Å; L405-M409 HydrophobicContact CD2-SD 4.45Å; L405-M409 HydrophobicContact CG-CG 4.35Å; L405-M409 HydrophobicContact CG-SD 3.94Å; L405-M409 VanDerWaalsContact O-CG 3.24Å; L405-M409 WeakPolarHBondContact O-CG 3.42Å; L405-M409 PolarHBondContact O-N 2.89Å; T406-M409 PolarHBondContact O-N 3.09Å; R407-M409 VanDerWaalsContact C-N 3.32Å; R407-M409 PolarHBondContact O-N 3.01Å; M409-E411 VanDerWaalsContact C-N 3.32Å; M409-E411 PolarHBondContact O-N 2.98Å; M409-R412 PolarHBondContact O-N 3.39Å; M409-E413 PolarHBondContact O-N 3.24Å; M409-F429 HydrophobicContact CE-CD1 4.19Å; M409-F429 HydrophobicContact CE-CE1 3.33Å; M409-F429 HydrophobicContact CE-CE2 4.39Å; M409-F429 HydrophobicContact CE-CZ 3.45Å; M409-F429 VanDerWaalsContact CE-CZ 3.45Å
410E83.9Confident75.2Confident108 Ų10873 Ų7351%0.50538%0.384SS..Hα-helixtrans-60.5-38.8174.7-78.5174.8178.500112.3T406 R407 L417T406-E410 WeakPolarHBondContact O-CB 3.31Å; T406-E410 WeakPolarHBondContact O-CG 3.47Å; T406-E410 PolarHBondContact O-N 2.67Å; R407-E410 PolarHBondContact O-N 3.47Å; E410-L417 HydrophobicContact CB-CD1 4.39Å; E410-L417 HydrophobicContact CG-CD1 3.62Å
411E82.4Confident72.9Confident135 Ų13580.4 Ų80.463%0.63142%0.42SS*.Hα-helixtrans-71.1-37.6176.9-73.5174.5-17600113.3R407 I408 M409R407-E411 WeakPolarHBondContact O-CG 3.47Å; R407-E411 PolarHBondContact O-N 2.84Å; I408-E411 PolarHBondContact O-N 2.92Å; M409-E411 VanDerWaalsContact C-N 3.32Å; M409-E411 PolarHBondContact O-N 2.98Å
412R81.4Confident70.6Confident161 Ų16189.4 Ų89.461%0.60846%0.462SS*.Hα-helixtrans-73.1-34179.8-73.6174.6179.1-179.32112.7I408 M409 E438I408-R412 VanDerWaalsContact O-CG 3.3Å; I408-R412 WeakPolarHBondContact O-CG 3.25Å; I408-R412 PolarHBondContact O-N 2.93Å; M409-R412 PolarHBondContact O-N 3.39Å; R412-E438 IonicContact CZ-OE1 3.53Å; R412-E438 IonicContact NH1-OE1 3.03Å; R412-E438 PolarHBondContact NH1-OE1 3.49Å; R412-E438 IonicContact NH1-OE2 3.35Å; R412-E438 PolarHBondContact NH1-OE2 3.14Å
413E70.5Confident68.2Low95 Ų9591.4 Ų91.444%0.44448%0.482SS..  trans-129.464.4-176.9-63.1-172.1156.200112.7M409 N415 L416M409-E413 PolarHBondContact O-N 3.24Å; E413-N415 PolarHBondContact O-N 2.84Å; E413-L416 HydrophobicContact CB-CB 4.29Å; E413-L416 HydrophobicContact CB-CD1 4.15Å; E413-L416 HydrophobicContact CG-CD1 4.14Å; E413-L416 PolarHBondContact O-N 2.84Å; E413-L416 WeakPolarHBondContact OE2-CD1 3.44Å
414P57.9Low65.6Low73 Ų7393.4 Ų93.447%0.47449%0.494SS..Hα-helixtrans-59.5-29.7-177.123.3-33.5000112.3A418P414-A418 VanDerWaalsContact O-CB 3.24Å; P414-A418 WeakPolarHBondContact O-CB 3.43Å; P414-A418 PolarHBondContact O-N 2.77Å
415N60.4Low63.1Low142 Ų14296.8 Ų96.876%0.75952%0.52SS*.Hα-helixtrans-86.5-18-172.8-66.1-31.6000114.9E413E413-N415 PolarHBondContact O-N 2.84Å
416L53.3Low60.8Low113 Ų113108.9 Ų108.959%0.59256%0.564SS**Hα-helixtrans-82.6-19.9176.7-79163.4000112.3E413E413-L416 HydrophobicContact CB-CB 4.29Å; E413-L416 HydrophobicContact CB-CD1 4.15Å; E413-L416 HydrophobicContact CG-CD1 4.14Å; E413-L416 PolarHBondContact O-N 2.84Å; E413-L416 WeakPolarHBondContact OE2-CD1 3.44Å
417L50.2Low58.4Low70 Ų70114.9 Ų114.937%0.36659%0.585SS.*Hα-helixtrans-104.4-34.2-178.4-68163.6000112.9E410E410-L417 HydrophobicContact CB-CD1 4.39Å; E410-L417 HydrophobicContact CG-CD1 3.62Å
418A49.6Very low56.1Low68 Ų68111.8 Ų111.856%0.56259%0.592SS**Hα-helixtrans-72.5-30.2-179.200000114P414 T420P414-A418 VanDerWaalsContact O-CB 3.24Å; P414-A418 WeakPolarHBondContact O-CB 3.43Å; P414-A418 PolarHBondContact O-N 2.77Å; A418-T420 VanDerWaalsContact C-N 3.27Å; A418-T420 PolarHBondContact O-N 3.45Å
419G43.2Very low54.2Low65 Ų65115.8 Ų115.867%0.6761%0.608SS**THydrogen-bonded Turntrans-73.3-7.3-173.600000116.2
420T43.2Very low52.5Low54 Ų54121.8 Ų121.833%0.33163%0.633SS.*THydrogen-bonded Turntrans-14350.5-17543.10000112.4A418 H422 I424A418-T420 VanDerWaalsContact C-N 3.27Å; A418-T420 PolarHBondContact O-N 3.45Å; T420-H422 PolarHBondContact O-N 2.94Å; T420-H422 VanDerWaalsContact O-N 3.07Å; T420-I424 HydrophobicContact CG2-CD1 4.39Å; T420-I424 WeakPolarHBondContact OG1-CD1 3.35Å; T420-I424 WeakPolarHBondContact OG1-CG1 3.43Å
421M46.1Very low51Low161 Ų161124.7 Ų124.779%0.79364%0.639SS**THydrogen-bonded Turntrans-59.2-14.8176.5-86.2-16976.800115.2
422H46.3Very low50Low190 Ų190122.4 Ų122.488%0.8863%0.631SS**THydrogen-bonded Turntrans-111.1-3-175.6-69.4-55000116.5T420T420-H422 PolarHBondContact O-N 2.94Å; T420-H422 VanDerWaalsContact O-N 3.07Å
423S39.3Very low49.2Very low97 Ų97118.8 Ų118.868%0.67864%0.636SS**THydrogen-bonded Turntrans-141.7-12-17656.20000116.5S425S423-S425 PolarHBondContact O-N 3.15Å
424I38.9Very low48.9Very low114 Ų114121.9 Ų121.959%0.58565%0.65SS**SBendtrans-89.290.6168.7-53.6-175.2000107.1T420 R426T420-I424 HydrophobicContact CG2-CD1 4.39Å; T420-I424 WeakPolarHBondContact OG1-CD1 3.35Å; T420-I424 WeakPolarHBondContact OG1-CG1 3.43Å; I424-R426 PolarHBondContact O-N 2.84Å
425S38.6Very low50Low88 Ų88119.3 Ų119.362%0.61563%0.634SS**  trans-43.8140.6166.3-80.70000110.2S423 K427S423-S425 PolarHBondContact O-N 3.15Å; S425-K427 PolarHBondContact O-N 3.03Å
426R43.3Very low51.2Low267 Ų267113.8 Ų113.8100%1.00861%0.605SS**SBendtrans-54.211.4162.9-62.3-178.3-179.1-172.3-1.6114.1I424I424-R426 PolarHBondContact O-N 2.84Å
427K38.6Very low52.7Low196 Ų196111.4 Ų111.485%0.85260%0.601SS**SBendtrans-118.773.8-172.1-149.5177.8-169.2-179.40108.3S425S425-K427 PolarHBondContact O-N 3.03Å
428G40.3Very low54.5Low61 Ų61111.3 Ų111.363%0.62960%0.599SS**  trans133.153.2161.500000116.3K430G428-K430 PolarHBondContact O-N 3.48Å; G428-K430 VanDerWaalsContact O-N 3.12Å
429F48.1Very low56.5Low129 Ų129108.1 Ų108.157%0.56657%0.573SS**  trans-59.9113.8141.8-136-83.8000105M409 R431M409-F429 HydrophobicContact CE-CD1 4.19Å; M409-F429 HydrophobicContact CE-CE1 3.33Å; M409-F429 HydrophobicContact CE-CE2 4.39Å; M409-F429 HydrophobicContact CE-CZ 3.45Å; M409-F429 VanDerWaalsContact CE-CZ 3.45Å; F429-R431 PolarHBondContact O-N 3.24Å
430K47.4Very low58.6Low171 Ų171110.1 Ų110.174%0.74356%0.56SS**  trans-61.5107.2171.5-90.7-176.2173.4179.10105.7G428 N432G428-K430 PolarHBondContact O-N 3.48Å; G428-K430 VanDerWaalsContact O-N 3.12Å; K430-N432 VanDerWaalsContact C-N 3.33Å; K430-N432 PolarHBondContact O-N 3.39Å; K430-N432 PolarHBondContact O-OD1 3.19Å
431R52.5Low60.8Low168 Ų168114.7 Ų114.763%0.63458%0.577SS**  trans-57.999.2170.5-67.6175.8173.8-177.2-11.3106.6E402 F429E402-R431 IonicContact OE1-NH2 3.55Å; E402-R431 IonicContact OE2-NH2 2.75Å; F429-R431 PolarHBondContact O-N 3.24Å
432N61.7Low63Low87 Ų87108.3 Ų108.347%0.46555%0.546SS..  trans-94.3160.1-178.7-70.1-16.2000109.1K430 E434 S435 D436K430-N432 VanDerWaalsContact C-N 3.33Å; K430-N432 PolarHBondContact O-N 3.39Å; K430-N432 PolarHBondContact O-OD1 3.19Å; N432-E434 PolarHBondContact O-N 3.3Å; N432-E434 VanDerWaalsContact O-N 3.14Å; N432-S435 PolarHBondContact N-OG 3.33Å; N432-S435 PolarHBondContact O-N 3.38Å; N432-S435 PolarHBondContact O-OG 3.11Å; N432-D436 PolarHBondContact O-N 3.21Å
433A64.1Low65.2Low86 Ų8699.2 Ų99.271%0.71150%0.504SS*.Hα-helixtrans-55.6-32.6178.200000113.2D436 A437A433-D436 PolarHBondContact O-N 3.41Å; A433-A437 PolarHBondContact O-N 3.22Å
434E64.9Low67.7Low159 Ų15997 Ų9774%0.74349%0.491SS*.Hα-helixtrans-64.1-41175.1-66.5177.9166.400112.2N432 D436 A437 E438N432-E434 PolarHBondContact O-N 3.3Å; N432-E434 VanDerWaalsContact O-N 3.14Å; E434-D436 VanDerWaalsContact C-N 3.33Å; E434-D436 PolarHBondContact O-N 3.39Å; E434-A437 PolarHBondContact O-N 3.4Å; E434-E438 PolarHBondContact O-N 2.83Å; E434-E438 VanDerWaalsContact O-N 3.07Å
435S80.9Confident70.3Confident19 Ų1996.2 Ų96.213%0.13349%0.488CS..Hα-helixtrans-67.2-33.2177.1620000112.7L405 N432 L439L405-S435 WeakPolarHBondContact CD2-O 3.14Å; N432-S435 PolarHBondContact N-OG 3.33Å; N432-S435 PolarHBondContact O-N 3.38Å; N432-S435 PolarHBondContact O-OG 3.11Å; S435-L439 WeakPolarHBondContact O-CB 3.35Å; S435-L439 PolarHBondContact O-N 2.87Å
436D84.8Confident72.9Confident26 Ų2692 Ų9214%0.13946%0.459CS..Hα-helixtrans-73.3-32.9175.4-77.2-26.3000111.7N432 A433 E434 L439 R440 R468 L470N432-D436 PolarHBondContact O-N 3.21Å; A433-D436 PolarHBondContact O-N 3.41Å; E434-D436 VanDerWaalsContact C-N 3.33Å; E434-D436 PolarHBondContact O-N 3.39Å; D436-L439 PolarHBondContact O-N 3.21Å; D436-R440 WeakPolarHBondContact O-CB 3.39Å; D436-R440 PolarHBondContact O-N 3.39Å; D436-R468 IonicContact OD1-CZ 2.73Å; D436-R468 IonicContact OD1-NE 3.19Å; D436-R468 PolarHBondContact OD1-NE 2.92Å; D436-R468 VanDerWaalsContact OD1-NE 3.07Å; D436-R468 IonicContact OD1-NH2 3.86Å; D436-R468 PolarHBondContact OD1-NH2 3.3Å; D436-R468 IonicContact OD2-NE 3.74Å; D436-L470 HydrophobicContact CB-CD2 4.31Å
437A85.7Confident75.2Confident63 Ų6380 Ų8052%0.52142%0.415SS..Hα-helixtrans-67.2-43174.100000112.3A433 E434 R440 H441A433-A437 PolarHBondContact O-N 3.22Å; E434-A437 PolarHBondContact O-N 3.4Å; A437-R440 PolarHBondContact O-N 2.83Å; A437-H441 PolarHBondContact O-N 3.45Å; A437-H441 VanDerWaalsContact O-N 3.07Å
438E88Confident77.6Confident69 Ų6975.5 Ų75.532%0.32241%0.405SS..Hα-helixtrans-65.2-42173.3-69-164.2158.900111.7L405 R412 E434 R440 H441 I442L405-E438 HydrophobicContact CD1-CB 3.82Å; R412-E438 IonicContact CZ-OE1 3.53Å; R412-E438 IonicContact NH1-OE1 3.03Å; R412-E438 PolarHBondContact NH1-OE1 3.49Å; R412-E438 IonicContact NH1-OE2 3.35Å; R412-E438 PolarHBondContact NH1-OE2 3.14Å; E434-E438 PolarHBondContact O-N 2.83Å; E434-E438 VanDerWaalsContact O-N 3.07Å; E438-R440 VanDerWaalsContact C-N 3.31Å; E438-R440 PolarHBondContact O-N 3.03Å; E438-H441 WeakPolarHBondContact O-CB 3.02Å; E438-H441 PolarHBondContact O-N 3.47Å; E438-H441 VanDerWaalsContact O-N 3.1Å; E438-I442 WeakPolarHBondContact O-CG1 3.39Å; E438-I442 PolarHBondContact O-N 3.05Å
439L90Very high80Confident1 Ų174.3 Ų74.31%0.00538%0.384CS..Hα-helixtrans-58.6-44.1174.2-177.658.9000111.5G401 E402 L405 S435 D436 H441 I442 L443 L470G401-L439 WeakPolarHBondContact O-CD1 3.26Å; E402-L439 HydrophobicContact CG-CD1 4.37Å; E402-L439 HydrophobicContact CG-CD2 3.98Å; L405-L439 HydrophobicContact CD2-CB 4.13Å; S435-L439 WeakPolarHBondContact O-CB 3.35Å; S435-L439 PolarHBondContact O-N 2.87Å; D436-L439 PolarHBondContact O-N 3.21Å; L439-H441 VanDerWaalsContact C-N 3.25Å; L439-H441 PolarHBondContact O-N 3.35Å; L439-I442 PolarHBondContact O-N 3.35Å; L439-L443 HydrophobicContact CD1-CD1 3.88Å; L439-L443 HydrophobicContact CD1-CG 4.05Å; L439-L443 HydrophobicContact CG-CD1 3.92Å; L439-L443 HydrophobicContact CG-CG 4.4Å; L439-L443 WeakPolarHBondContact O-CB 3.17Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.43Å; L439-L443 PolarHBondContact O-N 3.28Å; L439-L470 HydrophobicContact CB-CD2 4.29Å; L439-L470 HydrophobicContact CD2-CD1 4.03Å; L439-L470 HydrophobicContact CD2-CD2 4.02Å; L439-L470 HydrophobicContact CG-CD2 4.17Å
440R88.1Confident82Confident106 Ų10668.5 Ų68.540%0.436%0.359SS..Hα-helixtrans-60.2-38176-171.8-179.6118.61100.7111.5D436 A437 E438 L443 A444 N469 L470 D472D436-R440 WeakPolarHBondContact O-CB 3.39Å; D436-R440 PolarHBondContact O-N 3.39Å; A437-R440 PolarHBondContact O-N 2.83Å; E438-R440 VanDerWaalsContact C-N 3.31Å; E438-R440 PolarHBondContact O-N 3.03Å; R440-L443 PolarHBondContact O-N 3.47Å; R440-A444 PolarHBondContact O-N 3.17Å; R440-A444 VanDerWaalsContact O-N 3.09Å; R440-N469 WeakPolarHBondContact CD-O 3.22Å; R440-L470 HydrophobicContact CB-CD2 4.33Å; R440-D472 IonicContact CZ-OD2 3.91Å; R440-D472 IonicContact NH1-OD2 3.32Å; R440-D472 PolarHBondContact NH1-OD2 3.44Å; R440-D472 IonicContact NH2-OD2 3.07Å; R440-D472 PolarHBondContact NH2-OD2 3.09Å
441H90.1Very high83.8Confident151 Ų15161.6 Ų61.670%0.69933%0.328SS*.Hα-helixtrans-65.3-45.3176.1-174.664.4000112.2A437 E438 L439 L443 A444A437-H441 PolarHBondContact O-N 3.45Å; A437-H441 VanDerWaalsContact O-N 3.07Å; E438-H441 WeakPolarHBondContact O-CB 3.02Å; E438-H441 PolarHBondContact O-N 3.47Å; E438-H441 VanDerWaalsContact O-N 3.1Å; L439-H441 VanDerWaalsContact C-N 3.25Å; L439-H441 PolarHBondContact O-N 3.35Å; H441-L443 PolarHBondContact O-N 2.97Å; H441-A444 VanDerWaalsContact O-CB 3.27Å; H441-A444 WeakPolarHBondContact O-CB 3.13Å; H441-A444 PolarHBondContact O-N 2.96Å
442I91.3Very high85.2Confident26 Ų2655.4 Ų55.413%0.13331%0.306CS..Hα-helixtrans-59.6-38.2175.5-66.8166000111.2W400 Q404 L405 I408 E438 L439 A444W400-I442 HydrophobicContact CH2-CG2 4.43Å; W400-I442 HydrophobicContact CZ3-CG2 3.82Å; Q404-I442 HydrophobicContact CB-CG2 4.11Å; L405-I442 HydrophobicContact CB-CD1 3.8Å; L405-I442 HydrophobicContact CD1-CD1 4.01Å; I408-I442 HydrophobicContact CD1-CD1 3.85Å; I408-I442 HydrophobicContact CD1-CG1 4.32Å; E438-I442 WeakPolarHBondContact O-CG1 3.39Å; E438-I442 PolarHBondContact O-N 3.05Å; L439-I442 PolarHBondContact O-N 3.35Å; I442-A444 VanDerWaalsContact C-N 3.35Å
443L93.1Very high85.8Confident0 Ų053.2 Ų53.20%029%0.294CS..THydrogen-bonded Turntrans-87.2-0.7-176.8-65.1-176.6000114.2I397 L398 W400 L439 R440 H441 N445 L446 L447I397-L443 HydrophobicContact CG2-CD2 3.56Å; I397-L443 WeakPolarHBondContact O-CD2 3.42Å; L398-L443 HydrophobicContact CD2-CD1 3.86Å; W400-L443 HydrophobicContact CE3-CD2 4.19Å; W400-L443 HydrophobicContact CZ3-CD2 4.41Å; L439-L443 HydrophobicContact CD1-CD1 3.88Å; L439-L443 HydrophobicContact CD1-CG 4.05Å; L439-L443 HydrophobicContact CG-CD1 3.92Å; L439-L443 HydrophobicContact CG-CG 4.4Å; L439-L443 WeakPolarHBondContact O-CB 3.17Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.43Å; L439-L443 PolarHBondContact O-N 3.28Å; R440-L443 PolarHBondContact O-N 3.47Å; H441-L443 PolarHBondContact O-N 2.97Å; L443-N445 VanDerWaalsContact C-N 3.27Å; L443-N445 PolarHBondContact O-N 2.94Å; L443-L446 HydrophobicContact CD2-CD1 4.31Å; L443-L446 PolarHBondContact O-N 3.33Å; L443-L447 HydrophobicContact CB-CD1 3.79Å; L443-L447 HydrophobicContact CB-CG 3.91Å; L443-L447 WeakPolarHBondContact O-CG 3.4Å; L443-L447 PolarHBondContact O-N 2.97Å
444A91.4Very high86.4Confident49 Ų4952.5 Ų52.541%0.40527%0.274SS..THydrogen-bonded Turntrans-60.2-33.7-169.300000113.6R440 H441 I442 P448R440-A444 PolarHBondContact O-N 3.17Å; R440-A444 VanDerWaalsContact O-N 3.09Å; H441-A444 VanDerWaalsContact O-CB 3.27Å; H441-A444 WeakPolarHBondContact O-CB 3.13Å; H441-A444 PolarHBondContact O-N 2.96Å; I442-A444 VanDerWaalsContact C-N 3.35Å; A444-P448 WeakPolarHBondContact O-CD 3.34Å; A444-P448 VanDerWaalsContact O-CG 3.31Å; A444-P448 WeakPolarHBondContact O-CG 3.1Å
445N93.3Very high87Confident98 Ų9845.2 Ų45.252%0.52424%0.24SC..THydrogen-bonded Turntrans-85.3-17.8179.2-59.8-36.7000113.4E374 I378 L443E374-N445 WeakPolarHBondContact OE1-CB 3.32Å; E374-N445 PolarHBondContact OE1-ND2 2.91Å; I378-N445 HydrophobicContact CD1-CB 3.84Å; I378-N445 HydrophobicContact CG1-CB 4.49Å; L443-N445 VanDerWaalsContact C-N 3.27Å; L443-N445 PolarHBondContact O-N 2.94Å
446L94.2Very high86.6Confident0 Ų049.9 Ų49.90%026%0.263CS..THydrogen-bonded Turntrans-96.9-40.6-175.2-67172.8000112.4L377 I378 L381 I397 W400 L443 P448 L449L377-L446 HydrophobicContact CB-CD2 3.81Å; L377-L446 HydrophobicContact CD1-CD1 4.41Å; I378-L446 HydrophobicContact CG1-CD2 3.69Å; L381-L446 HydrophobicContact CD1-CD2 4.13Å; I397-L446 HydrophobicContact CD1-CB 4.35Å; I397-L446 HydrophobicContact CG1-CB 4.45Å; I397-L446 HydrophobicContact CG2-CB 3.82Å; I397-L446 HydrophobicContact CG2-CD1 4.1Å; W400-L446 HydrophobicContact CD2-CD1 4.39Å; W400-L446 HydrophobicContact CE3-CD1 3.56Å; W400-L446 HydrophobicContact CH2-CD1 4.14Å; W400-L446 HydrophobicContact CZ3-CD1 3.42Å; W400-L446 VanDerWaalsContact CZ3-CD1 3.42Å; L443-L446 HydrophobicContact CD2-CD1 4.31Å; L443-L446 PolarHBondContact O-N 3.33Å; L446-P448 VanDerWaalsContact C-CD 3.5Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.23Å; L446-L449 VanDerWaalsContact O-N 3.09Å
447L90.7Very high85.4Confident16 Ų1650 Ų508%0.08427%0.265CS..G310 helixtrans-58.1-41.1-178.1-69.6170.5000113.7L394 L443 L449 I450 F452 L470 L471L394-L447 HydrophobicContact CD1-CD2 4.39Å; L443-L447 HydrophobicContact CB-CD1 3.79Å; L443-L447 HydrophobicContact CB-CG 3.91Å; L443-L447 WeakPolarHBondContact O-CG 3.4Å; L443-L447 PolarHBondContact O-N 2.97Å; L447-L449 PolarHBondContact O-N 2.93Å; L447-L449 VanDerWaalsContact O-N 3.16Å; L447-I450 HydrophobicContact CD2-CD1 3.94Å; L447-I450 PolarHBondContact O-N 3.43Å; L447-I450 VanDerWaalsContact O-N 3.12Å; L447-F452 HydrophobicContact CD2-CZ 4.28Å; L447-F452 VanDerWaalsContact O-CE2 3.3Å; L447-F452 WeakPolarHBondContact O-CE2 3.07Å; L447-L470 WeakPolarHBondContact CD1-O 3.41Å; L447-L471 HydrophobicContact CD1-CD2 4.27Å; L447-L471 HydrophobicContact CD2-CD2 3.66Å; L447-L471 HydrophobicContact CG-CD2 4.49Å
448P89.4Confident84.3Confident100 Ų10057 Ų5765%0.64928%0.278SS*.G310 helixtrans-64.1-17.3177.8-23.535.6000114.4A444 L446 I450A444-P448 WeakPolarHBondContact O-CD 3.34Å; A444-P448 VanDerWaalsContact O-CG 3.31Å; A444-P448 WeakPolarHBondContact O-CG 3.1Å; L446-P448 VanDerWaalsContact C-CD 3.5Å; P448-I450 VanDerWaalsContact C-N 3.34Å
449L91.3Very high83.5Confident37 Ų3755.2 Ų55.219%0.19427%0.271CS..G310 helixtrans-82-14.9178.2-55.3173.7000112.2I378 L381 K382 L446 L447 R502I378-L449 HydrophobicContact CB-CD1 4.14Å; I378-L449 HydrophobicContact CG1-CD1 4.16Å; I378-L449 HydrophobicContact CG2-CD1 4.03Å; L381-L449 HydrophobicContact CB-CB 3.99Å; L381-L449 HydrophobicContact CB-CD1 3.88Å; L381-L449 HydrophobicContact CD1-CD1 4.5Å; K382-L449 HydrophobicContact CG-CD2 4.09Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.23Å; L446-L449 VanDerWaalsContact O-N 3.09Å; L447-L449 PolarHBondContact O-N 2.93Å; L447-L449 VanDerWaalsContact O-N 3.16Å; L449-R502 PolarHBondContact O-NH2 3.06Å
450I89.5Confident82.9Confident7 Ų761 Ų614%0.03630%0.297CS..SBendtrans-80.1131.8178.9-50.9178000109.4E390 I393 L394 I397 L447 P448 F452 I455E390-I450 WeakPolarHBondContact OE2-CG2 3.48Å; I393-I450 HydrophobicContact CG2-CG1 4.07Å; L394-I450 HydrophobicContact CB-CD1 4.19Å; L394-I450 HydrophobicContact CD1-CD1 3.75Å; I397-I450 HydrophobicContact CD1-CD1 3.5Å; I397-I450 HydrophobicContact CD1-CG1 3.58Å; L447-I450 HydrophobicContact CD2-CD1 3.94Å; L447-I450 PolarHBondContact O-N 3.43Å; L447-I450 VanDerWaalsContact O-N 3.12Å; P448-I450 VanDerWaalsContact C-N 3.34Å; I450-F452 HydrophobicContact CB-CD2 4.38Å; I450-F452 HydrophobicContact CB-CE1 4.22Å; I450-F452 HydrophobicContact CB-CE2 3.94Å; I450-F452 HydrophobicContact CB-CZ 3.84Å; I450-F452 HydrophobicContact CD1-CE1 4.32Å; I450-F452 HydrophobicContact CD1-CZ 3.96Å; I450-F452 HydrophobicContact CG1-CZ 4.4Å; I450-F452 HydrophobicContact CG2-CD1 4.14Å; I450-F452 HydrophobicContact CG2-CE1 3.97Å; I450-F452 HydrophobicContact CG2-CE2 4.45Å; I450-F452 HydrophobicContact CG2-CG 4.46Å; I450-F452 HydrophobicContact CG2-CZ 4.12Å; I450-F452 WeakPolarHBondContact O-CD2 3.28Å; I450-F452 PolarHBondContact O-N 2.84Å; I450-F452 VanDerWaalsContact O-N 3.08Å; I450-I455 HydrophobicContact CG2-CD1 3.95Å
451R86Confident82.3Confident26 Ų2658.9 Ų58.910%0.09829%0.294CS..  trans-8977179.7-49.6-179.6-170.3178.64.5109.4D384 E390 D453 Y454 H500 P501 R502D384-R451 IonicContact OD1-CZ 3.22Å; D384-R451 IonicContact OD1-NH1 2.81Å; D384-R451 PolarHBondContact OD1-NH1 3.18Å; D384-R451 IonicContact OD1-NH2 2.92Å; D384-R451 PolarHBondContact OD1-NH2 3.04Å; E390-R451 HydrophobicContact CG-CB 4.17Å; E390-R451 PolarHBondContact OE2-N 3.47Å; R451-D453 PolarHBondContact O-N 2.86Å; R451-Y454 HydrophobicContact CB-CD2 3.6Å; R451-Y454 HydrophobicContact CB-CE2 4.1Å; R451-Y454 PolarHBondContact O-N 2.74Å; R451-H500 WeakPolarHBondContact CD-O 3.39Å; R451-H500 PolarHBondContact NH1-O 3.3Å; R451-P501 VanDerWaalsContact NH1-C 3.28Å; R451-P501 PolarHBondContact NH1-O 2.79Å; R451-R502 VanDerWaalsContact NH1-CG 3.32Å; R451-R502 VanDerWaalsContact NH1-N 3.17Å
452F80.9Confident81.5Confident37 Ų3752.1 Ų52.116%0.16226%0.262CS..G310 helixtrans-55.9-24.9-175.2-68.3-72.8000114.1L394 L447 I450 Y454 I455 F462 L471 I473L394-F452 HydrophobicContact CD1-CE1 4.22Å; L447-F452 HydrophobicContact CD2-CZ 4.28Å; L447-F452 VanDerWaalsContact O-CE2 3.3Å; L447-F452 WeakPolarHBondContact O-CE2 3.07Å; I450-F452 HydrophobicContact CB-CD2 4.38Å; I450-F452 HydrophobicContact CB-CE1 4.22Å; I450-F452 HydrophobicContact CB-CE2 3.94Å; I450-F452 HydrophobicContact CB-CZ 3.84Å; I450-F452 HydrophobicContact CD1-CE1 4.32Å; I450-F452 HydrophobicContact CD1-CZ 3.96Å; I450-F452 HydrophobicContact CG1-CZ 4.4Å; I450-F452 HydrophobicContact CG2-CD1 4.14Å; I450-F452 HydrophobicContact CG2-CE1 3.97Å; I450-F452 HydrophobicContact CG2-CE2 4.45Å; I450-F452 HydrophobicContact CG2-CG 4.46Å; I450-F452 HydrophobicContact CG2-CZ 4.12Å; I450-F452 WeakPolarHBondContact O-CD2 3.28Å; I450-F452 PolarHBondContact O-N 2.84Å; I450-F452 VanDerWaalsContact O-N 3.08Å; F452-Y454 PolarHBondContact O-N 3.38Å; F452-Y454 VanDerWaalsContact O-N 3.08Å; F452-I455 HydrophobicContact CD1-CD1 3.94Å; F452-I455 HydrophobicContact CE1-CD1 4.39Å; F452-I455 PolarHBondContact O-N 3.5Å; F452-F462 HydrophobicContact CD1-CD2 4.19Å; F452-F462 AromaticContact CD1-CE2 3.59Å; F452-F462 HydrophobicContact CD1-CE2 3.59Å; F452-F462 HydrophobicContact CE1-CE2 4.16Å; F452-F462 HydrophobicContact CG-CE2 4.44Å; F452-L471 HydrophobicContact CD1-CD1 4.41Å; F452-L471 HydrophobicContact CE1-CD1 3.85Å; F452-L471 HydrophobicContact CE1-CD2 3.78Å; F452-L471 HydrophobicContact CE1-CG 4.44Å; F452-L471 HydrophobicContact CZ-CD1 4.39Å; F452-L471 HydrophobicContact CZ-CD2 3.56Å; F452-I473 HydrophobicContact CB-CD1 3.95Å; F452-I473 HydrophobicContact CD1-CD1 3.83Å; F452-I473 HydrophobicContact CD2-CD1 3.83Å; F452-I473 HydrophobicContact CD2-CG1 4.47Å; F452-I473 HydrophobicContact CE1-CD1 4.27Å; F452-I473 HydrophobicContact CE2-CD1 4.27Å; F452-I473 HydrophobicContact CG-CD1 3.58Å; F452-I473 HydrophobicContact CZ-CD1 4.49Å
453D74.4Confident80.6Confident42 Ų4254.1 Ų54.123%0.22527%0.273CS..G310 helixtrans-55.7-26175.1-65.1-33.3000113.1R451 L491 V497R451-D453 PolarHBondContact O-N 2.86Å; D453-L491 WeakPolarHBondContact OD1-CD1 3.07Å; D453-V497 HydrophobicContact CB-CG1 4.27Å
454Y76.6Confident79.9Confident70 Ų7057.7 Ų57.728%0.27529%0.292SS..G310 helixtrans-99.74-178.8-57.4-78.9000113.8R451 F452 W492 T499 P501R451-Y454 HydrophobicContact CB-CD2 3.6Å; R451-Y454 HydrophobicContact CB-CE2 4.1Å; R451-Y454 PolarHBondContact O-N 2.74Å; F452-Y454 PolarHBondContact O-N 3.38Å; F452-Y454 VanDerWaalsContact O-N 3.08Å; Y454-W492 HydrophobicContact CD1-CH2 4.38Å; Y454-W492 HydrophobicContact CE1-CH2 4.39Å; Y454-T499 PolarHBondContact OH-O 2.79Å; Y454-P501 HydrophobicContact CD1-CB 4.29Å; Y454-P501 HydrophobicContact CE1-CB 3.66Å; Y454-P501 HydrophobicContact CE1-CG 4.45Å; Y454-P501 HydrophobicContact CE2-CB 4.25Å; Y454-P501 VanDerWaalsContact OH-CD 3.24Å; Y454-P501 WeakPolarHBondContact OH-CD 3.36Å; Y454-P501 VanDerWaalsContact OH-N 3.12Å
455I77Confident79.1Confident7 Ų755.5 Ų55.54%0.03627%0.274CS..SBendtrans-93.1126.7172.5-60.7-178.8000109.4E390 L394 I450 F452 P457 F462E390-I455 HydrophobicContact CB-CD1 4.08Å; E390-I455 HydrophobicContact CB-CG1 3.61Å; L394-I455 HydrophobicContact CB-CD1 4.11Å; L394-I455 HydrophobicContact CD2-CD1 3.88Å; I450-I455 HydrophobicContact CG2-CD1 3.95Å; F452-I455 HydrophobicContact CD1-CD1 3.94Å; F452-I455 HydrophobicContact CE1-CD1 4.39Å; F452-I455 PolarHBondContact O-N 3.5Å; I455-P457 WeakPolarHBondContact O-CD 3.45Å; I455-F462 HydrophobicContact CG2-CB 3.99Å; I455-F462 HydrophobicContact CG2-CD2 4.04Å; I455-F462 HydrophobicContact CG2-CG 4Å
456L72.1Confident78.2Confident116 Ų11652.3 Ų52.361%0.60726%0.257SS*.  trans-64.3124.5178.6-70.7172000110.9R458 N459L456-R458 PolarHBondContact O-N 3.09Å; L456-N459 WeakPolarHBondContact O-CB 3.26Å; L456-N459 PolarHBondContact O-N 3.39Å
457P60.8Low77.2Confident29 Ų2959.5 Ų59.519%0.18829%0.29CS..THydrogen-bonded Turntrans-58-23.5-177.3-31.937.5000116.2I455 N459 L463 Y475I455-P457 WeakPolarHBondContact O-CD 3.45Å; P457-N459 PolarHBondContact O-N 3.21Å; P457-L463 WeakPolarHBondContact O-CD2 3.39Å; P457-Y475 WeakPolarHBondContact CB-OH 3.47Å
458R63.3Low76.5Confident209 Ų20961.2 Ų61.279%0.78930%0.296SS*.THydrogen-bonded Turntrans-823.8179.5-65.1-171.3-179.9-1650.1113.2L456 H460L456-R458 PolarHBondContact O-N 3.09Å; R458-H460 PolarHBondContact O-N 3.32Å
459N70.5Confident75.8Confident33 Ų3362.7 Ų62.718%0.17630%0.298CS..  trans-73.6121177.6-163.4-57.3000110.3L391 L456 P457 L461 F462 L463L391-N459 HydrophobicContact CD1-CB 4.47Å; L391-N459 VanDerWaalsContact CD1-ND2 3.31Å; L391-N459 WeakPolarHBondContact CD1-ND2 3.32Å; L391-N459 WeakPolarHBondContact CD2-ND2 3.25Å; L456-N459 WeakPolarHBondContact O-CB 3.26Å; L456-N459 PolarHBondContact O-N 3.39Å; P457-N459 PolarHBondContact O-N 3.21Å; N459-L461 PolarHBondContact O-N 3.04Å; N459-L461 WeakPolarHBondContact OD1-CB 3.48Å; N459-L461 PolarHBondContact OD1-N 3.48Å; N459-F462 HydrophobicContact CB-CB 4.16Å; N459-F462 PolarHBondContact O-N 3.31Å; N459-F462 VanDerWaalsContact O-N 3.16Å; N459-L463 WeakPolarHBondContact O-CG 3.38Å; N459-L463 PolarHBondContact O-N 3.26Å
460H77.1Confident75.1Confident121 Ų12161 Ų6156%0.5629%0.289SS*.Hα-helixtrans-57.7-33.5-179.862.7-81.6000112.9R458 L463 N464R458-H460 PolarHBondContact O-N 3.32Å; H460-L463 PolarHBondContact O-N 2.78Å; H460-N464 VanDerWaalsContact O-CB 3.3Å; H460-N464 WeakPolarHBondContact O-CB 3.33Å; H460-N464 PolarHBondContact O-N 3.14Å; H460-N464 PolarHBondContact O-ND2 2.91Å; H460-N464 PolarHBondContact O-OD1 3.16Å
461L74.8Confident74.3Confident63 Ų6361.3 Ų61.333%0.3329%0.291SS..Hα-helixtrans-68-42.4178.4-64.6165.5000111.6L391 V395 N459 N464 A465L391-L461 HydrophobicContact CD1-CD1 4.49Å; V395-L461 HydrophobicContact CG2-CD1 3.68Å; N459-L461 PolarHBondContact O-N 3.04Å; N459-L461 WeakPolarHBondContact OD1-CB 3.48Å; N459-L461 PolarHBondContact OD1-N 3.48Å; L461-N464 PolarHBondContact O-N 2.63Å; L461-A465 PolarHBondContact O-N 3.33Å
462F73.6Confident73.3Confident8 Ų866.2 Ų66.24%0.03532%0.319CS..Hα-helixtrans-64.3-45.5174.8179.2-106.5000111.3L394 F452 I455 N459 N464 A465 L466 L471 I473 Y475L394-F462 HydrophobicContact CD2-CB 4.46Å; L394-F462 HydrophobicContact CD2-CD2 4.15Å; F452-F462 HydrophobicContact CD1-CD2 4.19Å; F452-F462 AromaticContact CD1-CE2 3.59Å; F452-F462 HydrophobicContact CD1-CE2 3.59Å; F452-F462 HydrophobicContact CE1-CE2 4.16Å; F452-F462 HydrophobicContact CG-CE2 4.44Å; I455-F462 HydrophobicContact CG2-CB 3.99Å; I455-F462 HydrophobicContact CG2-CD2 4.04Å; I455-F462 HydrophobicContact CG2-CG 4Å; N459-F462 HydrophobicContact CB-CB 4.16Å; N459-F462 PolarHBondContact O-N 3.31Å; N459-F462 VanDerWaalsContact O-N 3.16Å; F462-N464 VanDerWaalsContact C-N 3.32Å; F462-N464 PolarHBondContact O-N 2.78Å; F462-A465 PolarHBondContact O-N 3.41Å; F462-L466 HydrophobicContact CD1-CD1 3.88Å; F462-L466 HydrophobicContact CE1-CD1 3.43Å; F462-L466 VanDerWaalsContact CE1-CD1 3.43Å; F462-L466 HydrophobicContact CE1-CG 4.25Å; F462-L466 HydrophobicContact CZ-CD1 3.84Å; F462-L466 HydrophobicContact CZ-CD2 4.49Å; F462-L466 HydrophobicContact CZ-CG 4.26Å; F462-L466 PolarHBondContact O-N 2.93Å; F462-L471 HydrophobicContact CD2-CD1 3.79Å; F462-L471 HydrophobicContact CE2-CD1 3.51Å; F462-L471 HydrophobicContact CZ-CD1 4.37Å; F462-I473 HydrophobicContact CE2-CD1 3.91Å; F462-I473 HydrophobicContact CZ-CD1 3.97Å; F462-Y475 HydrophobicContact CE1-CE2 4.15Å
463L71.9Confident72.3Confident68 Ų6867.1 Ų67.136%0.35633%0.325SS..Hα-helixtrans-61.8-38.8175.6-67.2175.7000112.2P457 N459 H460 L466 Q467P457-L463 WeakPolarHBondContact O-CD2 3.39Å; N459-L463 WeakPolarHBondContact O-CG 3.38Å; N459-L463 PolarHBondContact O-N 3.26Å; H460-L463 PolarHBondContact O-N 2.78Å; L463-L466 HydrophobicContact CD2-CD1 4.43Å; L463-L466 PolarHBondContact O-N 3.35Å; L463-Q467 WeakPolarHBondContact O-CB 3.35Å; L463-Q467 VanDerWaalsContact O-CG 3.28Å; L463-Q467 WeakPolarHBondContact O-CG 3.33Å; L463-Q467 PolarHBondContact O-N 3.26Å
464N78.2Confident71.1Confident75 Ų7573 Ų7340%0.40136%0.356SS..Hα-helixtrans-65.6-40.8175.7-71.4-17.9000111.6H460 L461 F462 L466 Q467 R468H460-N464 VanDerWaalsContact O-CB 3.3Å; H460-N464 WeakPolarHBondContact O-CB 3.33Å; H460-N464 PolarHBondContact O-N 3.14Å; H460-N464 PolarHBondContact O-ND2 2.91Å; H460-N464 PolarHBondContact O-OD1 3.16Å; L461-N464 PolarHBondContact O-N 2.63Å; F462-N464 VanDerWaalsContact C-N 3.32Å; F462-N464 PolarHBondContact O-N 2.78Å; N464-L466 VanDerWaalsContact C-N 3.35Å; N464-Q467 PolarHBondContact O-N 3.12Å; N464-R468 WeakPolarHBondContact O-CB 3.19Å; N464-R468 VanDerWaalsContact O-CG 3.25Å; N464-R468 WeakPolarHBondContact O-CG 3.38Å; N464-R468 PolarHBondContact O-N 2.74Å
465A76.6Confident69.6Low3 Ų373.6 Ų73.63%0.02536%0.359CS..Hα-helixtrans-64.7-38.7176.300000112.1L398 L461 F462 R468 N469 L470 L471L398-A465 HydrophobicContact CD1-CB 4.34Å; L461-A465 PolarHBondContact O-N 3.33Å; F462-A465 PolarHBondContact O-N 3.41Å; A465-R468 PolarHBondContact O-N 2.65Å; A465-N469 PolarHBondContact O-N 3.25Å; A465-L470 PolarHBondContact O-N 3.21Å; A465-L470 VanDerWaalsContact O-N 3.09Å; A465-L471 HydrophobicContact CB-CD1 3.95Å; A465-L471 HydrophobicContact CB-CG 4.05Å
466L72.8Confident67.9Low32 Ų3276.3 Ų76.317%0.16839%0.388CS..Hα-helixtrans-62.9-48171.3-74.2171000111.9F462 L463 N464 R468 N469 L471 I473 Y475F462-L466 HydrophobicContact CD1-CD1 3.88Å; F462-L466 HydrophobicContact CE1-CD1 3.43Å; F462-L466 VanDerWaalsContact CE1-CD1 3.43Å; F462-L466 HydrophobicContact CE1-CG 4.25Å; F462-L466 HydrophobicContact CZ-CD1 3.84Å; F462-L466 HydrophobicContact CZ-CD2 4.49Å; F462-L466 HydrophobicContact CZ-CG 4.26Å; F462-L466 PolarHBondContact O-N 2.93Å; L463-L466 HydrophobicContact CD2-CD1 4.43Å; L463-L466 PolarHBondContact O-N 3.35Å; N464-L466 VanDerWaalsContact C-N 3.35Å; L466-R468 PolarHBondContact O-N 3.02Å; L466-N469 PolarHBondContact O-N 3.37Å; L466-L471 HydrophobicContact CD2-CB 4.02Å; L466-L471 HydrophobicContact CD2-CD1 4.07Å; L466-L471 HydrophobicContact CG-CD1 4.11Å; L466-I473 HydrophobicContact CD2-CB 4.4Å; L466-Y475 HydrophobicContact CD1-CD2 4.14Å; L466-Y475 HydrophobicContact CD1-CE2 4.43Å
467Q72.9Confident66.2Low151 Ų15178.9 Ų78.971%0.70640%0.398SS*.Hα-helixtrans-61.9-27.6179.1-75.9176.4-0.400113L463 N464 N469L463-Q467 WeakPolarHBondContact O-CB 3.35Å; L463-Q467 VanDerWaalsContact O-CG 3.28Å; L463-Q467 WeakPolarHBondContact O-CG 3.33Å; L463-Q467 PolarHBondContact O-N 3.26Å; N464-Q467 PolarHBondContact O-N 3.12Å; Q467-N469 VanDerWaalsContact C-N 3.27Å
468R75.9Confident64.8Low51 Ų5186.9 Ų86.919%0.19243%0.429CS..THydrogen-bonded Turntrans-833.5174.6-69.717268.8-174.63.5113.6E402 D436 N464 A465 L466 L470E402-R468 IonicContact OE1-CZ 3.83Å; E402-R468 IonicContact OE1-NH1 3.68Å; E402-R468 PolarHBondContact OE1-NH1 3.22Å; E402-R468 IonicContact OE1-NH2 2.75Å; D436-R468 IonicContact OD1-CZ 2.73Å; D436-R468 IonicContact OD1-NE 3.19Å; D436-R468 PolarHBondContact OD1-NE 2.92Å; D436-R468 VanDerWaalsContact OD1-NE 3.07Å; D436-R468 IonicContact OD1-NH2 3.86Å; D436-R468 PolarHBondContact OD1-NH2 3.3Å; D436-R468 IonicContact OD2-NE 3.74Å; N464-R468 WeakPolarHBondContact O-CB 3.19Å; N464-R468 VanDerWaalsContact O-CG 3.25Å; N464-R468 WeakPolarHBondContact O-CG 3.38Å; N464-R468 PolarHBondContact O-N 2.74Å; A465-R468 PolarHBondContact O-N 2.65Å; L466-R468 PolarHBondContact O-N 3.02Å; R468-L470 HydrophobicContact CB-CD1 4.03Å; R468-L470 HydrophobicContact CB-CG 3.75Å; R468-L470 PolarHBondContact O-N 3.29Å; R468-L470 VanDerWaalsContact O-N 3.16Å
469N76.7Confident63.1Low131 Ų13185.7 Ų85.770%0.70143%0.433SS*.THydrogen-bonded Turntrans53.728.9-174-61.6-45.9000113.8R440 A465 L466 Q467R440-N469 WeakPolarHBondContact CD-O 3.22Å; A465-N469 PolarHBondContact O-N 3.25Å; L466-N469 PolarHBondContact O-N 3.37Å; Q467-N469 VanDerWaalsContact C-N 3.27Å
470L75Confident61.3Low1 Ų192.5 Ų92.51%0.00546%0.464CS..  trans-78.1-28.2178.8-62.1177.5000111.7L398 D436 L439 R440 L447 A465 R468L398-L470 HydrophobicContact CD2-CD1 3.78Å; D436-L470 HydrophobicContact CB-CD2 4.31Å; L439-L470 HydrophobicContact CB-CD2 4.29Å; L439-L470 HydrophobicContact CD2-CD1 4.03Å; L439-L470 HydrophobicContact CD2-CD2 4.02Å; L439-L470 HydrophobicContact CG-CD2 4.17Å; R440-L470 HydrophobicContact CB-CD2 4.33Å; L447-L470 WeakPolarHBondContact CD1-O 3.41Å; A465-L470 PolarHBondContact O-N 3.21Å; A465-L470 VanDerWaalsContact O-N 3.09Å; R468-L470 HydrophobicContact CB-CD1 4.03Å; R468-L470 HydrophobicContact CB-CG 3.75Å; R468-L470 PolarHBondContact O-N 3.29Å; R468-L470 VanDerWaalsContact O-N 3.16Å
471L73Confident59.2Low14 Ų1495.8 Ų95.87%0.07348%0.479CS..  trans-102.6126.2-176.5-52.2-177.8000109.8L447 F452 F462 A465 L466 I473L447-L471 HydrophobicContact CD1-CD2 4.27Å; L447-L471 HydrophobicContact CD2-CD2 3.66Å; L447-L471 HydrophobicContact CG-CD2 4.49Å; F452-L471 HydrophobicContact CD1-CD1 4.41Å; F452-L471 HydrophobicContact CE1-CD1 3.85Å; F452-L471 HydrophobicContact CE1-CD2 3.78Å; F452-L471 HydrophobicContact CE1-CG 4.44Å; F452-L471 HydrophobicContact CZ-CD1 4.39Å; F452-L471 HydrophobicContact CZ-CD2 3.56Å; F462-L471 HydrophobicContact CD2-CD1 3.79Å; F462-L471 HydrophobicContact CE2-CD1 3.51Å; F462-L471 HydrophobicContact CZ-CD1 4.37Å; A465-L471 HydrophobicContact CB-CD1 3.95Å; A465-L471 HydrophobicContact CB-CG 4.05Å; L466-L471 HydrophobicContact CD2-CB 4.02Å; L466-L471 HydrophobicContact CD2-CD1 4.07Å; L466-L471 HydrophobicContact CG-CD1 4.11Å; L471-I473 HydrophobicContact CB-CD1 4.01Å; L471-I473 HydrophobicContact CB-CG1 4.08Å; L471-I473 HydrophobicContact CD1-CD1 4Å; L471-I473 PolarHBondContact O-N 2.87Å; L471-I473 VanDerWaalsContact O-N 3.11Å
472D66Low57.2Low130 Ų13097.4 Ų97.470%0.69550%0.496SS*.  trans-86.858.8172.3-142.7-24.2000110.1R440R440-D472 IonicContact CZ-OD2 3.91Å; R440-D472 IonicContact NH1-OD2 3.32Å; R440-D472 PolarHBondContact NH1-OD2 3.44Å; R440-D472 IonicContact NH2-OD2 3.07Å; R440-D472 PolarHBondContact NH2-OD2 3.09Å
473I59.4Low55.6Low56 Ų56104.1 Ų104.129%0.28754%0.537SS..  trans-106.3119.4177-58.5171000105.8F452 F462 L466 L471 Y475F452-I473 HydrophobicContact CB-CD1 3.95Å; F452-I473 HydrophobicContact CD1-CD1 3.83Å; F452-I473 HydrophobicContact CD2-CD1 3.83Å; F452-I473 HydrophobicContact CD2-CG1 4.47Å; F452-I473 HydrophobicContact CE1-CD1 4.27Å; F452-I473 HydrophobicContact CE2-CD1 4.27Å; F452-I473 HydrophobicContact CG-CD1 3.58Å; F452-I473 HydrophobicContact CZ-CD1 4.49Å; F462-I473 HydrophobicContact CE2-CD1 3.91Å; F462-I473 HydrophobicContact CZ-CD1 3.97Å; L466-I473 HydrophobicContact CD2-CB 4.4Å; L471-I473 HydrophobicContact CB-CD1 4.01Å; L471-I473 HydrophobicContact CB-CG1 4.08Å; L471-I473 HydrophobicContact CD1-CD1 4Å; L471-I473 PolarHBondContact O-N 2.87Å; L471-I473 VanDerWaalsContact O-N 3.11Å; I473-Y475 HydrophobicContact CG2-CD2 4.35Å; I473-Y475 PolarHBondContact O-N 2.85Å
474D49.7Very low53.9Low164 Ų164104 Ų10488%0.87755%0.552SS**  trans-64.671.3165.1-88.3-22.6000109G476D474-G476 PolarHBondContact O-N 3.18Å; D474-G476 VanDerWaalsContact O-N 3.11Å
475Y45Very low52Low83 Ų83102.8 Ų102.833%0.32555%0.55SS..  trans-66.3111.4161.5-135.6-92.7000104P457 F462 L466 I473 Q477 A487P457-Y475 WeakPolarHBondContact CB-OH 3.47Å; F462-Y475 HydrophobicContact CE1-CE2 4.15Å; L466-Y475 HydrophobicContact CD1-CD2 4.14Å; L466-Y475 HydrophobicContact CD1-CE2 4.43Å; I473-Y475 HydrophobicContact CG2-CD2 4.35Å; I473-Y475 PolarHBondContact O-N 2.85Å; Y475-Q477 PolarHBondContact O-N 3.08Å; Y475-A487 WeakPolarHBondContact OH-CB 3.44Å
476G40.9Very low50.1Low64 Ų64104.7 Ų104.766%0.6656%0.561SS**  trans-60.460.7-176.100000114.6D474 K478D474-G476 PolarHBondContact O-N 3.18Å; D474-G476 VanDerWaalsContact O-N 3.11Å; G476-K478 PolarHBondContact O-N 3.11Å
477Q35.6Very low48.4Very low171 Ų171105.1 Ų105.180%0.79957%0.569SS**  trans-78.451.5172.6-72.1-164.2-14.300110Y475Y475-Q477 PolarHBondContact O-N 3.08Å
478K31.6Very low46.7Very low197 Ų197103.7 Ų103.786%0.85756%0.558SS**SBendtrans-144.967.7154.1-74.1-168.1-179.8172.70108.4G476G476-K478 PolarHBondContact O-N 3.11Å
479Q28.9Very low44.8Very low183 Ų183106 Ų10686%0.85557%0.57SS**  trans-176.9142.2136.3-103165.23.500112.9
480E31.5Very low43Very low177 Ų177107.2 Ų107.283%0.82757%0.565SS**  trans-60.1150.3-172.4-66.3156.8153.300113.9S482E480-S482 PolarHBondContact O-N 2.71Å; E480-S482 VanDerWaalsContact O-N 3.16Å
481E33.5Very low41.4Very low190 Ų190109.9 Ų109.989%0.88858%0.579SS**  trans21.879.8144.4-62.7-176.7159.300117.3
482S33.2Very low39.8Very low97 Ų97114.3 Ų114.368%0.67860%0.595SS**  trans-114.1101.9150.2-168.40000108.9E480 G484E480-S482 PolarHBondContact O-N 2.71Å; E480-S482 VanDerWaalsContact O-N 3.16Å; S482-G484 PolarHBondContact O-N 2.79Å
483V38.7Very low38.5Very low149 Ų149110.6 Ų110.690%0.90358%0.58SS**THydrogen-bonded Turntrans-64.62.9-169.1176.90000114.2
484G37.8Very low37.6Very low65 Ų65111.2 Ų111.267%0.6759%0.589SS**THydrogen-bonded Turntrans-112.2-23.9-176.700000116.6S482S482-G484 PolarHBondContact O-N 2.79Å
485S36.4Very low37.1Very low50 Ų50106.1 Ų106.135%0.3558%0.575SS.*  trans-120.282.1-172.7-166.90000109.8
486T37.5Very low37.1Very low43 Ų43106.2 Ų106.226%0.26459%0.588SS.*  trans-51.2150.7167.856.20000111.2Y488 H489T486-Y488 HydrophobicContact CG2-CD1 3.97Å; T486-Y488 HydrophobicContact CG2-CE1 3.28Å; T486-Y488 WeakPolarHBondContact CG2-OH 3.28Å; T486-Y488 PolarHBondContact O-N 3.08Å; T486-Y488 WeakPolarHBondContact OG1-CD1 3.38Å; T486-Y488 WeakPolarHBondContact OG1-CD2 3.44Å; T486-Y488 WeakPolarHBondContact OG1-CE1 3.09Å; T486-Y488 WeakPolarHBondContact OG1-CE2 3.46Å; T486-Y488 PolarHBondContact OG1-OH 3.09Å; T486-H489 PolarHBondContact O-N 3.1Å
487A36.6Very low37.5Very low40 Ų40105.1 Ų105.133%0.33157%0.568SS.*Hα-helixtrans-51.8-22.917800000114.4Y475 H489 R490 L491Y475-A487 WeakPolarHBondContact OH-CB 3.44Å; A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 3.11Å; A487-R490 PolarHBondContact O-N 2.62Å; A487-L491 PolarHBondContact O-N 2.86Å
488Y37.4Very low38.4Very low121 Ų121102.6 Ų102.648%0.47556%0.564SS.*Hα-helixtrans-62.7-36.2173.758.9-112.9000113.1T486 W492T486-Y488 HydrophobicContact CG2-CD1 3.97Å; T486-Y488 HydrophobicContact CG2-CE1 3.28Å; T486-Y488 WeakPolarHBondContact CG2-OH 3.28Å; T486-Y488 PolarHBondContact O-N 3.08Å; T486-Y488 WeakPolarHBondContact OG1-CD1 3.38Å; T486-Y488 WeakPolarHBondContact OG1-CD2 3.44Å; T486-Y488 WeakPolarHBondContact OG1-CE1 3.09Å; T486-Y488 WeakPolarHBondContact OG1-CE2 3.46Å; T486-Y488 PolarHBondContact OG1-OH 3.09Å; Y488-W492 VanDerWaalsContact O-CD1 3.27Å; Y488-W492 PolarHBondContact O-N 2.68Å
489H35.9Very low39.9Very low99 Ų9995.9 Ų95.946%0.45854%0.539SS..Hα-helixtrans-70-41.9179.6-117.4-70000109.9T486 A487 L491 W492 S493T486-H489 PolarHBondContact O-N 3.1Å; A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 3.11Å; H489-L491 PolarHBondContact O-N 3.38Å; H489-W492 PolarHBondContact O-N 2.62Å; H489-S493 PolarHBondContact ND1-OG 3.16Å; H489-S493 WeakPolarHBondContact O-CA 3.39Å; H489-S493 WeakPolarHBondContact O-CB 3.3Å; H489-S493 PolarHBondContact O-N 3.48Å; H489-S493 PolarHBondContact O-OG 3.18Å
490R40.6Very low41.9Very low157 Ų15790.4 Ų90.459%0.59251%0.514SS*.Hα-helixtrans-64.7-42.7-178.7-83.6-174.9-87.6-168.9-4.5113.4A487 W492 S494A487-R490 PolarHBondContact O-N 2.62Å; R490-W492 VanDerWaalsContact C-N 3.35Å; R490-W492 PolarHBondContact O-N 3.47Å; R490-S494 WeakPolarHBondContact O-CB 3.33Å; R490-S494 PolarHBondContact O-N 3.4Å; R490-S494 PolarHBondContact O-OG 3.24Å
491L40.3Very low44Very low57 Ų5783.8 Ų83.830%0.29849%0.486SS..Hα-helixtrans-66.5-35.8-179.2-164.769.8000113D453 A487 H489D453-L491 WeakPolarHBondContact OD1-CD1 3.07Å; A487-L491 PolarHBondContact O-N 2.86Å; H489-L491 PolarHBondContact O-N 3.38Å
492W39.6Very low46.5Very low107 Ų10775.3 Ų75.341%0.40545%0.446SS..Hα-helixtrans-99-9.9-178.1-64.174.7000114M1 W5 Y454 Y488 H489 R490M1-W492 HydrophobicContact CE-CH2 3.79Å; M1-W492 HydrophobicContact CE-CZ2 3.65Å; M1-W492 HydrophobicContact CE-CZ3 4.42Å; W5-W492 AromaticContact CH2-CZ3 3.91Å; W5-W492 HydrophobicContact CH2-CZ3 3.91Å; W5-W492 HydrophobicContact CZ2-CE3 4.19Å; W5-W492 HydrophobicContact CZ2-CH2 4.49Å; W5-W492 AromaticContact CZ2-CZ3 3.79Å; W5-W492 HydrophobicContact CZ2-CZ3 3.79Å; Y454-W492 HydrophobicContact CD1-CH2 4.38Å; Y454-W492 HydrophobicContact CE1-CH2 4.39Å; Y488-W492 VanDerWaalsContact O-CD1 3.27Å; Y488-W492 PolarHBondContact O-N 2.68Å; H489-W492 PolarHBondContact O-N 2.62Å; R490-W492 VanDerWaalsContact C-N 3.35Å; R490-W492 PolarHBondContact O-N 3.47Å
493S38.4Very low49.2Very low53 Ų5370.8 Ų70.837%0.37141%0.414SS..Hα-helixtrans-105.6-24.6177.8-46.50000113H489 G495 N541H489-S493 PolarHBondContact ND1-OG 3.16Å; H489-S493 WeakPolarHBondContact O-CA 3.39Å; H489-S493 WeakPolarHBondContact O-CB 3.3Å; H489-S493 PolarHBondContact O-N 3.48Å; H489-S493 PolarHBondContact O-OG 3.18Å; S493-G495 PolarHBondContact O-N 3.17Å; S493-G495 VanDerWaalsContact O-N 3.17Å; S493-N541 PolarHBondContact O-ND2 3.33Å
494S40.1Very low51.8Low69 Ų6965.7 Ų65.748%0.48338%0.38SS..SBendtrans-74.1103.3163.4-410000104.4R490 S496R490-S494 WeakPolarHBondContact O-CB 3.33Å; R490-S494 PolarHBondContact O-N 3.4Å; R490-S494 PolarHBondContact O-OG 3.24Å; S494-S496 PolarHBondContact O-N 2.85Å
495G40.7Very low54.4Low56 Ų5665.5 Ų65.558%0.57736%0.362SS*.SBendtrans-65.936.2-173.500000115.4S493S493-G495 PolarHBondContact O-N 3.17Å; S493-G495 VanDerWaalsContact O-N 3.17Å
496S44.2Very low57Low86 Ų8666.7 Ų66.760%0.60137%0.369SS*.  trans-124.754-179.61790000109.6S494 V498S494-S496 PolarHBondContact O-N 2.85Å; S496-V498 PolarHBondContact O-N 3.09Å; S496-V498 VanDerWaalsContact O-N 3.16Å
497V49.3Very low59.4Low41 Ų4168 Ų6825%0.24837%0.371CS..  trans-71.7104158179.80000105.3D453 T499D453-V497 HydrophobicContact CB-CG1 4.27Å; V497-T499 VanDerWaalsContact C-N 3.33Å; V497-T499 WeakPolarHBondContact CG1-O 3.43Å
498V55Low61.8Low117 Ų11767.2 Ų67.271%0.70936%0.359SS*.  trans-76.6-24.8-171.9-176.10000111.2S496S496-V498 PolarHBondContact O-N 3.09Å; S496-V498 VanDerWaalsContact O-N 3.16Å
499T62.7Low64.3Low56 Ų5664.1 Ų64.134%0.34436%0.359SS..SBendtrans-113.3134.4-173.163.60000112.4Y454 V497Y454-T499 PolarHBondContact OH-O 2.79Å; V497-T499 VanDerWaalsContact C-N 3.33Å; V497-T499 WeakPolarHBondContact CG1-O 3.43Å
500H70.8Confident66.8Low69 Ų6963.9 Ų63.932%0.31936%0.36SS..PPolyproline II helixtrans-68.3151.7176.2-6977.9000111.9R451 Y601R451-H500 WeakPolarHBondContact CD-O 3.39Å; R451-H500 PolarHBondContact NH1-O 3.3Å; H500-Y601 AromaticContact CE1-CG 3.75Å; H500-Y601 AromaticContact ND1-CG 3.97Å; H500-Y601 WeakPolarHBondContact NE2-CB 3.25Å; H500-Y601 AromaticContact NE2-CG 3.82Å
501P75.2Confident68.9Low37 Ų3756.4 Ų56.424%0.2433%0.332CS..PPolyproline II helixtrans-71.9144.6178.828-31.2000111.8F17 R451 Y454F17-P501 HydrophobicContact CE1-CG 4.44Å; R451-P501 VanDerWaalsContact NH1-C 3.28Å; R451-P501 PolarHBondContact NH1-O 2.79Å; Y454-P501 HydrophobicContact CD1-CB 4.29Å; Y454-P501 HydrophobicContact CE1-CB 3.66Å; Y454-P501 HydrophobicContact CE1-CG 4.45Å; Y454-P501 HydrophobicContact CE2-CB 4.25Å; Y454-P501 VanDerWaalsContact OH-CD 3.24Å; Y454-P501 WeakPolarHBondContact OH-CD 3.36Å; Y454-P501 VanDerWaalsContact OH-N 3.12Å
502R87.1Confident71.1Confident13 Ų1357.3 Ų57.35%0.04933%0.334CS..PPolyproline II helixtrans-66.7144.6168.2-69.3-175-160.3-92.2-2.1110.5L381 S383 D384 E390 L449 R451 F504L381-R502 PolarHBondContact O-NH1 2.86Å; L381-R502 PolarHBondContact O-NH2 3.23Å; S383-R502 PolarHBondContact O-NH1 3.31Å; D384-R502 CarbonylContact O-C 3.51Å; D384-R502 WeakPolarHBondContact O-CA 3.49Å; D384-R502 WeakPolarHBondContact O-CB 3.4Å; E390-R502 WeakPolarHBondContact OE1-CD 3.34Å; E390-R502 WeakPolarHBondContact OE1-CG 3.45Å; E390-R502 IonicContact OE1-CZ 3.63Å; E390-R502 IonicContact OE1-NE 3.59Å; E390-R502 PolarHBondContact OE1-NE 3.42Å; E390-R502 IonicContact OE2-NE 2.77Å; L449-R502 PolarHBondContact O-NH2 3.06Å; R451-R502 VanDerWaalsContact NH1-CG 3.32Å; R451-R502 VanDerWaalsContact NH1-N 3.17Å; R502-F504 PolarHBondContact O-N 3.14Å
503L89.8Confident73.4Confident1 Ų159.8 Ų59.81%0.00535%0.347CS..  trans-79.486.4173.2-178.967.4000110.2F17 L21 R24 D384 F385 Q387F17-L503 HydrophobicContact CB-CD1 4.24Å; F17-L503 HydrophobicContact CD1-CD1 3.64Å; F17-L503 HydrophobicContact CE1-CD1 4.39Å; F17-L503 HydrophobicContact CG-CD1 4.25Å; L21-L503 HydrophobicContact CB-CD2 4.41Å; L21-L503 HydrophobicContact CD2-CD2 3.84Å; L21-L503 HydrophobicContact CG-CD1 4.19Å; L21-L503 HydrophobicContact CG-CD2 3.88Å; R24-L503 HydrophobicContact CB-CD2 4.17Å; D384-L503 PolarHBondContact O-N 2.91Å; F385-L503 HydrophobicContact CD1-CB 4.13Å; F385-L503 HydrophobicContact CD1-CD2 4.13Å; F385-L503 HydrophobicContact CE1-CD2 4.5Å; Q387-L503 PolarHBondContact NE2-O 3.38Å
504F91.7Very high75.6Confident42 Ų4257.8 Ų57.818%0.18433%0.333CS..  trans-93114.1171.6-178.3-132.1000110.6R502 P506 F507 Y508R502-F504 PolarHBondContact O-N 3.14Å; F504-P506 HydrophobicContact CD1-CB 4.35Å; F504-P506 HydrophobicContact CD1-CG 4.42Å; F504-P506 HydrophobicContact CD2-CG 4.32Å; F504-P506 HydrophobicContact CE1-CB 3.84Å; F504-P506 HydrophobicContact CE1-CG 3.85Å; F504-P506 VanDerWaalsContact CE2-CD 3.44Å; F504-P506 HydrophobicContact CE2-CG 3.73Å; F504-P506 HydrophobicContact CZ-CB 3.98Å; F504-P506 HydrophobicContact CZ-CG 3.48Å; F504-P506 VanDerWaalsContact CZ-CG 3.48Å; F504-F507 HydrophobicContact CB-CB 4.36Å; F504-F507 HydrophobicContact CD1-CB 3.99Å; F504-F507 WeakPolarHBondContact O-CA 3.45Å; F504-F507 WeakPolarHBondContact O-CB 3.47Å; F504-F507 PolarHBondContact O-N 3.43Å; F504-Y508 PolarHBondContact O-N 3.21Å
505M93.6Very high77.7Confident62 Ų6255.9 Ų55.931%0.30532%0.316SS..Hα-helixtrans-56.5-42.6-169.8-70.5-62.4-72.300114.6L21 Q387 F507 Y508 A509L21-M505 HydrophobicContact CD2-CE 4.03Å; L21-M505 HydrophobicContact CD2-SD 3.64Å; Q387-M505 VanDerWaalsContact OE1-N 3.09Å; M505-F507 VanDerWaalsContact C-N 3.27Å; M505-F507 PolarHBondContact O-N 2.88Å; M505-Y508 HydrophobicContact CE-CD1 4.49Å; M505-Y508 PolarHBondContact O-N 2.9Å; M505-A509 WeakPolarHBondContact O-CB 3.43Å; M505-A509 PolarHBondContact O-N 3.39Å
506P91.1Very high79.8Confident74 Ų7456.5 Ų56.548%0.48131%0.309SS..Hα-helixtrans-60.8-34.5175-26.738000113.4F504 L510F504-P506 HydrophobicContact CD1-CB 4.35Å; F504-P506 HydrophobicContact CD1-CG 4.42Å; F504-P506 HydrophobicContact CD2-CG 4.32Å; F504-P506 HydrophobicContact CE1-CB 3.84Å; F504-P506 HydrophobicContact CE1-CG 3.85Å; F504-P506 VanDerWaalsContact CE2-CD 3.44Å; F504-P506 HydrophobicContact CE2-CG 3.73Å; F504-P506 HydrophobicContact CZ-CB 3.98Å; F504-P506 HydrophobicContact CZ-CG 3.48Å; F504-P506 VanDerWaalsContact CZ-CG 3.48Å; P506-L510 WeakPolarHBondContact O-CB 3.45Å; P506-L510 PolarHBondContact O-N 2.78Å; P506-L510 VanDerWaalsContact O-N 3.11Å
507F86.6Confident81.8Confident71 Ų7160 Ų6031%0.31131%0.313SS..Hα-helixtrans-72.4-43.6177.1-176.2-123.9000111.6V2 L13 F17 F504 M505 A509 L510 A511V2-F507 HydrophobicContact CG2-CE2 3.77Å; V2-F507 HydrophobicContact CG2-CZ 4.05Å; L13-F507 HydrophobicContact CD2-CZ 4.45Å; F17-F507 HydrophobicContact CE1-CD1 4.45Å; F17-F507 AromaticContact CE2-CD1 3.87Å; F17-F507 HydrophobicContact CE2-CD1 3.87Å; F17-F507 AromaticContact CE2-CE1 3.84Å; F17-F507 HydrophobicContact CE2-CE1 3.84Å; F17-F507 AromaticContact CZ-CD1 3.44Å; F17-F507 HydrophobicContact CZ-CD1 3.44Å; F17-F507 VanDerWaalsContact CZ-CD1 3.44Å; F17-F507 AromaticContact CZ-CE1 3.51Å; F17-F507 HydrophobicContact CZ-CE1 3.51Å; F504-F507 HydrophobicContact CB-CB 4.36Å; F504-F507 HydrophobicContact CD1-CB 3.99Å; F504-F507 WeakPolarHBondContact O-CA 3.45Å; F504-F507 WeakPolarHBondContact O-CB 3.47Å; F504-F507 PolarHBondContact O-N 3.43Å; M505-F507 VanDerWaalsContact C-N 3.27Å; M505-F507 PolarHBondContact O-N 2.88Å; F507-A509 PolarHBondContact O-N 3.34Å; F507-L510 PolarHBondContact O-N 3.33Å; F507-A511 WeakPolarHBondContact O-CB 3.46Å; F507-A511 PolarHBondContact O-N 3.05Å
508Y88.5Confident83.4Confident23 Ų2360.7 Ų60.79%0.0931%0.313CS..Hα-helixtrans-56.4-49.3172.3166.7-114.4000111.8F17 E18 L21 F504 M505 L510 A511 K512F17-Y508 HydrophobicContact CB-CD2 3.27Å; F17-Y508 HydrophobicContact CB-CE2 3.71Å; F17-Y508 HydrophobicContact CB-CG 4.19Å; F17-Y508 AromaticContact CD2-CD2 3.84Å; F17-Y508 HydrophobicContact CD2-CD2 3.84Å; F17-Y508 AromaticContact CG-CD2 3.79Å; F17-Y508 HydrophobicContact CG-CD2 3.79Å; F17-Y508 HydrophobicContact CG-CG 4.48Å; E18-Y508 HydrophobicContact CG-CE2 4.09Å; E18-Y508 WeakPolarHBondContact CG-OH 3.37Å; E18-Y508 PolarHBondContact OE1-OH 3.48Å; L21-Y508 HydrophobicContact CD1-CD1 3.81Å; L21-Y508 HydrophobicContact CD1-CD2 4.36Å; L21-Y508 HydrophobicContact CD1-CE1 3.32Å; L21-Y508 HydrophobicContact CD1-CE2 3.87Å; L21-Y508 HydrophobicContact CD1-CG 4.3Å; F504-Y508 PolarHBondContact O-N 3.21Å; M505-Y508 HydrophobicContact CE-CD1 4.49Å; M505-Y508 PolarHBondContact O-N 2.9Å; Y508-L510 VanDerWaalsContact C-N 3.28Å; Y508-L510 PolarHBondContact O-N 3.46Å; Y508-A511 PolarHBondContact O-N 2.87Å; Y508-A511 VanDerWaalsContact O-N 3.16Å; Y508-K512 HydrophobicContact CE1-CD 4.19Å; Y508-K512 HydrophobicContact CE2-CB 4.33Å; Y508-K512 HydrophobicContact CE2-CD 4.05Å; Y508-K512 WeakPolarHBondContact O-CB 3.36Å; Y508-K512 PolarHBondContact O-N 3.33Å; Y508-K512 WeakPolarHBondContact OH-CD 3.22Å; Y508-K512 PolarHBondContact OH-NZ 3.25Å
509A89.8Confident84.7Confident56 Ų5655.7 Ų55.746%0.46328%0.284SS..Hα-helixtrans-58.5-41179.100000111.9M505 F507 K513M505-A509 WeakPolarHBondContact O-CB 3.43Å; M505-A509 PolarHBondContact O-N 3.39Å; F507-A509 PolarHBondContact O-N 3.34Å; A509-K513 VanDerWaalsContact O-CB 3.23Å; A509-K513 WeakPolarHBondContact O-CB 3.46Å; A509-K513 PolarHBondContact O-N 2.88Å
510L87.8Confident85.7Confident94 Ų9459.7 Ų59.749%0.49230%0.302SS..Hα-helixtrans-67.3-43.3175.9-177.764.5000112.4P506 F507 Y508 T514P506-L510 WeakPolarHBondContact O-CB 3.45Å; P506-L510 PolarHBondContact O-N 2.78Å; P506-L510 VanDerWaalsContact O-N 3.11Å; F507-L510 PolarHBondContact O-N 3.33Å; Y508-L510 VanDerWaalsContact C-N 3.28Å; Y508-L510 PolarHBondContact O-N 3.46Å; L510-T514 WeakPolarHBondContact O-CB 3.44Å; L510-T514 PolarHBondContact O-N 3.3Å; L510-T514 PolarHBondContact O-OG1 3.26Å
511A84.5Confident86.3Confident0 Ų060.9 Ų60.90%032%0.318CS..Hα-helixtrans-61.7-49.1177.800000110.8L13 F17 F507 Y508 T514 F515L13-A511 HydrophobicContact CD2-CB 4.19Å; F17-A511 HydrophobicContact CD2-CB 4.36Å; F17-A511 HydrophobicContact CE2-CB 4.17Å; F507-A511 WeakPolarHBondContact O-CB 3.46Å; F507-A511 PolarHBondContact O-N 3.05Å; Y508-A511 PolarHBondContact O-N 2.87Å; Y508-A511 VanDerWaalsContact O-N 3.16Å; A511-T514 PolarHBondContact O-N 2.97Å; A511-F515 WeakPolarHBondContact O-CB 3.26Å; A511-F515 PolarHBondContact O-N 2.97Å
512K86.4Confident86.6Confident77 Ų7760.2 Ų60.234%0.33532%0.316SS..Hα-helixtrans-60.8-46.5177-176.1156.7-178.4157.70112.3V14 E18 Y508 T514 F515 V516V14-K512 HydrophobicContact CG2-CB 4.48Å; E18-K512 IonicContact OE1-NZ 2.83Å; E18-K512 PolarHBondContact OE1-NZ 2.96Å; Y508-K512 HydrophobicContact CE1-CD 4.19Å; Y508-K512 HydrophobicContact CE2-CB 4.33Å; Y508-K512 HydrophobicContact CE2-CD 4.05Å; Y508-K512 WeakPolarHBondContact O-CB 3.36Å; Y508-K512 PolarHBondContact O-N 3.33Å; Y508-K512 WeakPolarHBondContact OH-CD 3.22Å; Y508-K512 PolarHBondContact OH-NZ 3.25Å; K512-T514 VanDerWaalsContact C-N 3.29Å; K512-T514 PolarHBondContact O-N 3.37Å; K512-F515 PolarHBondContact O-N 3.42Å; K512-V516 WeakPolarHBondContact O-CG2 3.44Å; K512-V516 PolarHBondContact O-N 2.94Å
513K87.6Confident86.1Confident158 Ų15863.1 Ų63.169%0.68734%0.336SS*.Hα-helixtrans-59.2-40.8175.1-176.7178.3-178.6176.60112.1A509 K517A509-K513 VanDerWaalsContact O-CB 3.23Å; A509-K513 WeakPolarHBondContact O-CB 3.46Å; A509-K513 PolarHBondContact O-N 2.88Å; K513-K517 WeakPolarHBondContact O-CB 3.42Å; K513-K517 PolarHBondContact O-N 2.53Å
514T86.2Confident85.5Confident12 Ų1269.8 Ų69.87%0.07437%0.372CS..Hα-helixtrans-68.8-42.2179-56.60000111.6V2 L3 L10 L510 A511 K512 K517 K518V2-T514 HydrophobicContact CG1-CG2 4.19Å; L3-T514 HydrophobicContact CD2-CG2 4.15Å; L10-T514 HydrophobicContact CD1-CG2 4.11Å; L10-T514 HydrophobicContact CD2-CG2 4.42Å; L510-T514 WeakPolarHBondContact O-CB 3.44Å; L510-T514 PolarHBondContact O-N 3.3Å; L510-T514 PolarHBondContact O-OG1 3.26Å; A511-T514 PolarHBondContact O-N 2.97Å; K512-T514 VanDerWaalsContact C-N 3.29Å; K512-T514 PolarHBondContact O-N 3.37Å; T514-K517 PolarHBondContact O-N 2.8Å; T514-K518 PolarHBondContact O-N 3.12Å
515F84Confident84.6Confident29 Ų2972.9 Ų72.913%0.12739%0.387CS..Hα-helixtrans-58.6-53.5173.9170.6-111.7000111.3L7 L10 H11 V14 A511 K512 K517 K518 A519 L526L7-F515 HydrophobicContact CD1-CD2 3.89Å; L7-F515 HydrophobicContact CD1-CE2 3.9Å; L7-F515 HydrophobicContact CG-CE2 4.38Å; L10-F515 HydrophobicContact CB-CB 4.27Å; L10-F515 HydrophobicContact CB-CD2 4.14Å; H11-F515 HydrophobicContact CB-CD2 4.17Å; H11-F515 HydrophobicContact CB-CE2 3.61Å; H11-F515 HydrophobicContact CB-CZ 4.21Å; H11-F515 AromaticContact ND1-CE2 3.93Å; H11-F515 AromaticContact ND1-CZ 3.6Å; V14-F515 HydrophobicContact CG2-CB 3.83Å; V14-F515 HydrophobicContact CG2-CD1 4.35Å; V14-F515 HydrophobicContact CG2-CG 4.17Å; A511-F515 WeakPolarHBondContact O-CB 3.26Å; A511-F515 PolarHBondContact O-N 2.97Å; K512-F515 PolarHBondContact O-N 3.42Å; F515-K517 VanDerWaalsContact C-N 3.32Å; F515-K517 PolarHBondContact O-N 2.93Å; F515-K518 PolarHBondContact O-N 3.4Å; F515-K518 VanDerWaalsContact O-N 3.12Å; F515-A519 WeakPolarHBondContact O-CB 3.28Å; F515-A519 PolarHBondContact O-N 3.19Å; F515-L526 HydrophobicContact CE2-CD1 4.48Å; F515-L526 HydrophobicContact CZ-CD1 4.07Å
516V84.5Confident83.3Confident69 Ų6972.8 Ų72.842%0.41839%0.387SS..Hα-helixtrans-57.4-45.71791720000111.2K512 K518 A519 L520K512-V516 WeakPolarHBondContact O-CG2 3.44Å; K512-V516 PolarHBondContact O-N 2.94Å; V516-K518 VanDerWaalsContact C-N 3.33Å; V516-K518 PolarHBondContact O-N 2.7Å; V516-A519 PolarHBondContact O-N 3.23Å; V516-L520 HydrophobicContact CG1-CD1 3.98Å; V516-L520 HydrophobicContact CG1-CG 4.42Å; V516-L520 WeakPolarHBondContact O-CB 3.3Å; V516-L520 VanDerWaalsContact O-CG 3.28Å; V516-L520 WeakPolarHBondContact O-CG 3.47Å; V516-L520 PolarHBondContact O-N 2.99Å
517K85.6Confident82.1Confident160 Ų16072.9 Ų72.970%0.69639%0.387SS*.Hα-helixtrans-59.5-42.9178.2-176.3179.9176.8-177.80112.1K513 T514 F515 S521K513-K517 WeakPolarHBondContact O-CB 3.42Å; K513-K517 PolarHBondContact O-N 2.53Å; T514-K517 PolarHBondContact O-N 2.8Å; F515-K517 VanDerWaalsContact C-N 3.32Å; F515-K517 PolarHBondContact O-N 2.93Å; K517-S521 PolarHBondContact O-N 3.5Å; K517-S521 PolarHBondContact O-OG 2.86Å
518K83.7Confident81.1Confident54 Ų5471.4 Ų71.424%0.23539%0.385CS..Hα-helixtrans-73-39.9179.5-76.6-166.8-178.2-169.50112.8L3 W5 L7 L10 T514 F515 V516 L520 S521 A522L3-K518 VanDerWaalsContact O-CE 3.31Å; L3-K518 WeakPolarHBondContact O-CE 3.01Å; L3-K518 PolarHBondContact O-NZ 3.07Å; W5-K518 PolarHBondContact O-NZ 3.22Å; L7-K518 HydrophobicContact CD1-CB 3.75Å; L10-K518 HydrophobicContact CD1-CD 3.59Å; L10-K518 HydrophobicContact CD1-CG 4.49Å; T514-K518 PolarHBondContact O-N 3.12Å; F515-K518 PolarHBondContact O-N 3.4Å; F515-K518 VanDerWaalsContact O-N 3.12Å; V516-K518 VanDerWaalsContact C-N 3.33Å; V516-K518 PolarHBondContact O-N 2.7Å; K518-L520 VanDerWaalsContact C-N 3.29Å; K518-L520 PolarHBondContact O-N 3.47Å; K518-S521 WeakPolarHBondContact CA-OG 3.3Å; K518-S521 PolarHBondContact O-N 3.3Å; K518-S521 VanDerWaalsContact O-N 3.09Å; K518-S521 PolarHBondContact O-OG 3.28Å; K518-A522 PolarHBondContact O-N 2.83Å
519A81.5Confident79.9Confident12 Ų1271 Ų7110%0.09938%0.384CS..Hα-helixtrans-57.1-44173.900000111.2L7 F515 V516 S521 A522 L526L7-A519 HydrophobicContact CD1-CB 4.16Å; F515-A519 WeakPolarHBondContact O-CB 3.28Å; F515-A519 PolarHBondContact O-N 3.19Å; V516-A519 PolarHBondContact O-N 3.23Å; A519-S521 VanDerWaalsContact C-N 3.32Å; A519-S521 PolarHBondContact O-N 3.33Å; A519-A522 CarbonylContact O-C 3.5Å; A519-A522 VanDerWaalsContact O-C 3.32Å; A519-A522 PolarHBondContact O-N 3.27Å; A519-L526 HydrophobicContact CB-CD1 3.89Å
520L82.7Confident78.4Confident140 Ų14073.9 Ų73.973%0.73339%0.391SS*.Hα-helixtrans-66.4-30.7176.1-70.6173.4000113.2V516 K518V516-L520 HydrophobicContact CG1-CD1 3.98Å; V516-L520 HydrophobicContact CG1-CG 4.42Å; V516-L520 WeakPolarHBondContact O-CB 3.3Å; V516-L520 VanDerWaalsContact O-CG 3.28Å; V516-L520 WeakPolarHBondContact O-CG 3.47Å; V516-L520 PolarHBondContact O-N 2.99Å; K518-L520 VanDerWaalsContact C-N 3.29Å; K518-L520 PolarHBondContact O-N 3.47Å
521S85.2Confident76.6Confident94 Ų9473.9 Ų73.966%0.65739%0.391SS*.Hα-helixtrans-81.1-18.4176.3600000114.3K517 K518 A519K517-S521 PolarHBondContact O-N 3.5Å; K517-S521 PolarHBondContact O-OG 2.86Å; K518-S521 WeakPolarHBondContact CA-OG 3.3Å; K518-S521 PolarHBondContact O-N 3.3Å; K518-S521 VanDerWaalsContact O-N 3.09Å; K518-S521 PolarHBondContact O-OG 3.28Å; A519-S521 VanDerWaalsContact C-N 3.32Å; A519-S521 PolarHBondContact O-N 3.33Å
522A81Confident75Confident23 Ų2380.4 Ų80.419%0.1942%0.421CS..  trans-140.466.6-175.600000111.3K518 A519 D524 E525 L526K518-A522 PolarHBondContact O-N 2.83Å; A519-A522 CarbonylContact O-C 3.5Å; A519-A522 VanDerWaalsContact O-C 3.32Å; A519-A522 PolarHBondContact O-N 3.27Å; A522-D524 VanDerWaalsContact C-N 3.27Å; A522-D524 PolarHBondContact O-N 3.06Å; A522-E525 HydrophobicContact CB-CB 4.25Å; A522-E525 HydrophobicContact CB-CG 4.17Å; A522-E525 PolarHBondContact O-N 3.5Å; A522-L526 PolarHBondContact O-N 3.03Å
523P76.8Confident72.9Confident74 Ų7485.5 Ų85.548%0.48144%0.439SS..Hα-helixtrans-63.1-30.4-177.224.8-33.8000113.3E525 L526 V527P523-E525 VanDerWaalsContact C-N 3.34Å; P523-E525 PolarHBondContact O-N 2.84Å; P523-L526 VanDerWaalsContact O-CB 3.27Å; P523-L526 WeakPolarHBondContact O-CB 3.4Å; P523-L526 PolarHBondContact O-N 3Å; P523-L526 VanDerWaalsContact O-N 3.13Å; P523-V527 PolarHBondContact O-N 2.97Å
524D77.2Confident70.6Confident141 Ų14182.9 Ų82.975%0.75444%0.438SS*.Hα-helixtrans-64.9-37.6177.7-60-34.5000112A522 L526 V527 S528A522-D524 VanDerWaalsContact C-N 3.27Å; A522-D524 PolarHBondContact O-N 3.06Å; D524-L526 VanDerWaalsContact C-N 3.29Å; D524-L526 PolarHBondContact O-N 3.02Å; D524-V527 PolarHBondContact O-N 3.26Å; D524-S528 PolarHBondContact O-N 3.26Å
525E72.5Confident68.4Low107 Ų10786.3 Ų86.350%0.546%0.46SS..Hα-helixtrans-66.2-33.2174-68.5-175.7-166.200111.3L7 A522 P523 S528 L529L7-E525 WeakPolarHBondContact CB-OE2 3.25Å; L7-E525 HydrophobicContact CD2-CB 3.59Å; A522-E525 HydrophobicContact CB-CB 4.25Å; A522-E525 HydrophobicContact CB-CG 4.17Å; A522-E525 PolarHBondContact O-N 3.5Å; P523-E525 VanDerWaalsContact C-N 3.34Å; P523-E525 PolarHBondContact O-N 2.84Å; E525-S528 PolarHBondContact O-N 3.45Å; E525-S528 PolarHBondContact O-OG 3.43Å; E525-L529 WeakPolarHBondContact O-CG 3.39Å; E525-L529 PolarHBondContact O-N 3.18Å
526L67.1Low66.5Low60 Ų6096.4 Ų96.431%0.31450%0.499SS..Hα-helixtrans-63.6-42.1177.1-16883.6000111.9F515 A519 A522 P523 D524 S528 L529 I530F515-L526 HydrophobicContact CE2-CD1 4.48Å; F515-L526 HydrophobicContact CZ-CD1 4.07Å; A519-L526 HydrophobicContact CB-CD1 3.89Å; A522-L526 PolarHBondContact O-N 3.03Å; P523-L526 VanDerWaalsContact O-CB 3.27Å; P523-L526 WeakPolarHBondContact O-CB 3.4Å; P523-L526 PolarHBondContact O-N 3Å; P523-L526 VanDerWaalsContact O-N 3.13Å; D524-L526 VanDerWaalsContact C-N 3.29Å; D524-L526 PolarHBondContact O-N 3.02Å; L526-S528 VanDerWaalsContact C-N 3.27Å; L526-S528 PolarHBondContact O-N 3.44Å; L526-L529 WeakPolarHBondContact O-CB 3.44Å; L526-L529 PolarHBondContact O-N 3.01Å; L526-L529 VanDerWaalsContact O-N 3.08Å; L526-I530 PolarHBondContact O-N 2.95Å
527V64.7Low64.4Low77 Ų77100.6 Ų100.647%0.46752%0.52SS..Hα-helixtrans-60.1-41.3177.1179.10000110.4P523 D524 L529 I530 D531P523-V527 PolarHBondContact O-N 2.97Å; D524-V527 PolarHBondContact O-N 3.26Å; V527-L529 PolarHBondContact O-N 2.73Å; V527-I530 PolarHBondContact O-N 3.48Å; V527-D531 PolarHBondContact O-N 3.48Å
528S65.3Low62.3Low39 Ų3997.1 Ų97.127%0.27351%0.507SS..Hα-helixtrans-62.4-28176.679.90000113.9D524 E525 L526 R533D524-S528 PolarHBondContact O-N 3.26Å; E525-S528 PolarHBondContact O-N 3.45Å; E525-S528 PolarHBondContact O-OG 3.43Å; L526-S528 VanDerWaalsContact C-N 3.27Å; L526-S528 PolarHBondContact O-N 3.44Å; S528-R533 PolarHBondContact O-N 3.15Å
529L63.1Low60.1Low14 Ų1498 Ų987%0.07352%0.52CS..Hα-helixtrans-72-42.5176-66174.9000112.2L7 R8 H11 E525 L526 V527 H532L7-L529 HydrophobicContact CD2-CD1 3.86Å; L7-L529 HydrophobicContact CG-CD1 3.82Å; R8-L529 HydrophobicContact CB-CD2 3.85Å; R8-L529 HydrophobicContact CG-CD2 4.09Å; H11-L529 HydrophobicContact CB-CD1 4.03Å; E525-L529 WeakPolarHBondContact O-CG 3.39Å; E525-L529 PolarHBondContact O-N 3.18Å; L526-L529 WeakPolarHBondContact O-CB 3.44Å; L526-L529 PolarHBondContact O-N 3.01Å; L526-L529 VanDerWaalsContact O-N 3.08Å; V527-L529 PolarHBondContact O-N 2.73Å; L529-H532 PolarHBondContact O-N 3.3Å
530I58.7Low57.9Low117 Ų117100.9 Ų100.960%0.655%0.545SS*.Hα-helixtrans-66.8-39.8177.7-62.5169.7000110.2L526 V527 H532L526-I530 PolarHBondContact O-N 2.95Å; V527-I530 PolarHBondContact O-N 3.48Å; I530-H532 PolarHBondContact O-CD2 2.9Å; I530-H532 PolarHBondContact O-N 3.49Å
531D50.8Low55.7Low95 Ų9598.7 Ų98.751%0.50853%0.534SS..THydrogen-bonded Turntrans-78.54.3-178.3-74-13.6000114.1V527 R533V527-D531 PolarHBondContact O-N 3.48Å; D531-R533 PolarHBondContact O-N 2.98Å
532H50.9Low53.3Low136 Ų13696.4 Ų96.463%0.6352%0.516SS*.THydrogen-bonded Turntrans49.523.5-176.8-62.3-80.8000115L529 I530 P534L529-H532 PolarHBondContact O-N 3.3Å; I530-H532 PolarHBondContact O-CD2 2.9Å; I530-H532 PolarHBondContact O-N 3.49Å; H532-P534 WeakPolarHBondContact O-CD 3.45Å
533R41.3Very low51Low184 Ų18498.2 Ų98.269%0.69452%0.524SS*.PPolyproline II helixtrans-81.9118.9178-80.1-174.9-179.41722.8110S528 D531 P535S528-R533 PolarHBondContact O-N 3.15Å; D531-R533 PolarHBondContact O-N 2.98Å; R533-P535 WeakPolarHBondContact O-CD 3.43Å
534P39.8Very low49Very low103 Ų103101.1 Ų101.167%0.66954%0.536SS*.PPolyproline II helixtrans-69.7128.517526.5-30.7000110H532H532-P534 WeakPolarHBondContact O-CD 3.45Å
535P39.9Very low47Very low85 Ų85100.3 Ų100.355%0.55253%0.531SS*.PPolyproline II helixtrans-71144.6160.119.1-10.8000108.8R533 D537R533-P535 WeakPolarHBondContact O-CD 3.43Å; P535-D537 PolarHBondContact O-N 3.46Å
536Y45Very low45.3Very low240 Ų24097.2 Ų97.294%0.94152%0.517SS*.SBendtrans-60.1-0.6-165.3-74.8-88.6000117.2
537D40.1Very low43.6Very low158 Ų158101.2 Ų101.285%0.84553%0.532SS*.  trans-121.281.2-174.9-72.6-37.1000111.8P535P535-D537 PolarHBondContact O-N 3.46Å
538I40.7Very low42Very low86 Ų86101 Ų10144%0.44153%0.533SS..  trans-137.7131168-54.9178.8000110.2V543I538-V543 HydrophobicContact CG2-CG2 4.29Å
539S38Very low40.4Very low72 Ų72102.9 Ų102.950%0.50354%0.544SS..  trans-73.9139.3168.997.10000110.1N541 T542S539-N541 PolarHBondContact O-N 3.38Å; S539-T542 PolarHBondContact O-N 3.35Å
540A35.3Very low38.9Very low74 Ų74105.2 Ų105.261%0.61256%0.562SS**G310 helixtrans-46.6-29.5-179.800000114.4T542 V543A540-T542 VanDerWaalsContact C-N 3.3Å; A540-T542 PolarHBondContact O-N 3.45Å; A540-V543 WeakPolarHBondContact O-CB 3.37Å; A540-V543 PolarHBondContact O-N 3.49Å; A540-V543 VanDerWaalsContact O-N 3.12Å
541N35.9Very low37.9Very low94 Ų94103.5 Ų103.550%0.50356%0.559SS.*G310 helixtrans-71.7-17.5-175.9-61.3-2.2000114.5S493 S539S493-N541 PolarHBondContact O-ND2 3.33Å; S539-N541 PolarHBondContact O-N 3.38Å
542T35.5Very low37Very low46 Ų46108 Ų10828%0.28257%0.57SS.*G310 helixtrans-82.5-19.5173.9-40.30000110.9S539 A540 L546S539-T542 PolarHBondContact O-N 3.35Å; A540-T542 VanDerWaalsContact C-N 3.3Å; A540-T542 PolarHBondContact O-N 3.45Å; T542-L546 HydrophobicContact CG2-CD1 3.48Å; T542-L546 VanDerWaalsContact CG2-CD1 3.48Å; T542-L546 HydrophobicContact CG2-CG 4.41Å; T542-L546 WeakPolarHBondContact O-CB 3.5Å; T542-L546 WeakPolarHBondContact O-CD1 3.46Å; T542-L546 WeakPolarHBondContact O-CG 3.24Å
543V32.9Very low36.1Very low61 Ų61109.4 Ų109.437%0.3758%0.577SS.*THydrogen-bonded Turntrans-76-29.4-170.5-179.70000112.6I538 A540 L546 K547I538-V543 HydrophobicContact CG2-CG2 4.29Å; A540-V543 WeakPolarHBondContact O-CB 3.37Å; A540-V543 PolarHBondContact O-N 3.49Å; A540-V543 VanDerWaalsContact O-N 3.12Å; V543-L546 CarbonylContact O-C 3.57Å; V543-L546 PolarHBondContact O-N 3.16Å; V543-L546 VanDerWaalsContact O-N 3.09Å; V543-K547 PolarHBondContact O-N 3.32Å
544D35.4Very low35.8Very low135 Ų135104 Ų10472%0.72256%0.564SS**THydrogen-bonded Turntrans-77.6-24.6-175-74.5-26.1000113.9L546D544-L546 PolarHBondContact O-N 3.23Å
545L34.6Very low35.6Very low123 Ų123105.7 Ų105.764%0.64456%0.558SS**THydrogen-bonded Turntrans-78.5-8.1167.7-72.8167000112.7
546L36.6Very low35.1Very low42 Ų42110.7 Ų110.722%0.2257%0.574CS.*  trans-129.911.9-158.4-65.8-171.9000115.3C12 T542 V543 D544 P548C12-L546 HydrophobicContact CB-CD2 3.34Å; C12-L546 WeakPolarHBondContact SG-CD2 3Å; T542-L546 HydrophobicContact CG2-CD1 3.48Å; T542-L546 VanDerWaalsContact CG2-CD1 3.48Å; T542-L546 HydrophobicContact CG2-CG 4.41Å; T542-L546 WeakPolarHBondContact O-CB 3.5Å; T542-L546 WeakPolarHBondContact O-CD1 3.46Å; T542-L546 WeakPolarHBondContact O-CG 3.24Å; V543-L546 CarbonylContact O-C 3.57Å; V543-L546 PolarHBondContact O-N 3.16Å; V543-L546 VanDerWaalsContact O-N 3.09Å; D544-L546 PolarHBondContact O-N 3.23Å; L546-P548 WeakPolarHBondContact O-CD 3.39Å
547K32.1Very low34.5Very low145 Ų145108.9 Ų108.963%0.6357%0.565SS**  trans-81.5108.3168.2-84.8-177.3179.8169.40108.9V543 C549V543-K547 PolarHBondContact O-N 3.32Å; K547-C549 PolarHBondContact O-N 3.23Å
548P30.5Very low34.1Very low73 Ų73107.8 Ų107.847%0.47456%0.56SS.*  trans-61.3110.515724.7-30.2000106.9L546 S550L546-P548 WeakPolarHBondContact O-CD 3.39Å; P548-S550 PolarHBondContact O-N 2.89Å
549C30.6Very low33.9Very low77 Ų77112.1 Ų112.152%0.5258%0.576SS.*  trans-54127.3163-79.30000107.9K547 G598K547-C549 PolarHBondContact O-N 3.23Å; C549-G598 WeakPolarHBondContact CB-O 3.35Å; C549-G598 PolarHBondContact N-O 2.91Å
550S32.5Very low33.7Very low63 Ų63116.4 Ų116.444%0.44159%0.593SS.*  trans-46.7126.8171.8170.90000109.3P548 Y552P548-S550 PolarHBondContact O-N 2.89Å; S550-Y552 PolarHBondContact O-N 3.32Å
551P37.8Very low33.6Very low82 Ų82115.7 Ų115.753%0.53259%0.593SS.*THydrogen-bonded Turntrans-61.2-18.1-171.7-23.231.4000114.7
552Y32.2Very low33.4Very low190 Ų190120.7 Ų120.775%0.74561%0.613SS**THydrogen-bonded Turntrans-115.7-14.9-164.6-80.6-81.6000116.9S550 T554S550-Y552 PolarHBondContact O-N 3.32Å; Y552-T554 PolarHBondContact O-N 3.25Å
553E31.7Very low33.5Very low165 Ų165122.4 Ų122.477%0.77163%0.626SS**THydrogen-bonded Turntrans-84.4-9.4-172-74.7-173.9166.600115
554T34.4Very low33.7Very low70 Ų70127.8 Ų127.843%0.42965%0.647SS.*THydrogen-bonded Turntrans-100.3-8.7-176.9-17.80000115Y552 Q556Y552-T554 PolarHBondContact O-N 3.25Å; T554-Q556 PolarHBondContact O-N 3.29Å
555Y36.8Very low33.9Very low139 Ų139123.8 Ų123.855%0.54563%0.626SS.*THydrogen-bonded Turntrans-78.3-2.6-176.9-140.7-87.9000113.7L585Y555-L585 HydrophobicContact CE2-CD1 4.49Å; Y555-L585 WeakPolarHBondContact OH-CD1 3.49Å
556Q29.5Very low34.3Very low189 Ų189122.8 Ų122.888%0.88363%0.629SS**THydrogen-bonded Turntrans-103.5-2.7177.5-78.3-172.8-22.700114.9T554T554-Q556 PolarHBondContact O-N 3.29Å
557R30.9Very low35Very low202 Ų202126.3 Ų126.376%0.76265%0.653SS**SBendtrans-98.6113177.1-80.4-171-176.8172.12.3110.7
558D33.1Very low35.9Very low136 Ų136127.2 Ų127.273%0.72766%0.663SS**  trans81.258.7148.8-45.6-28.9000116.8D560D558-D560 VanDerWaalsContact C-N 3.32Å
559F34.9Very low37Very low177 Ų177126.4 Ų126.478%0.77665%0.654SS**  trans-98.451.3146.4-95.8-80.3000110.1
560D33.6Very low38.7Very low162 Ų162127.7 Ų127.787%0.86666%0.656SS**  trans-102.318.9165.5-93.4-11.4000111.5D558 Q562D558-D560 VanDerWaalsContact C-N 3.32Å; D560-Q562 PolarHBondContact O-N 2.91Å
561G34.7Very low40.7Very low59 Ų59129.7 Ų129.761%0.60867%0.666SS**  trans-78.4103.5166.800000109.4C563G561-C563 PolarHBondContact O-N 3.23Å
562Q31.2Very low42.3Very low198 Ų198132.8 Ų132.893%0.92567%0.673SS**  trans-56.591.4163.1-69.8-179.5-12.700108.4D560D560-Q562 PolarHBondContact O-N 2.91Å
563C37.7Very low44Very low83 Ų83128.3 Ų128.356%0.56166%0.66SS**  trans-76.9131.6176.3-151.90000108.1G561 L565G561-C563 PolarHBondContact O-N 3.23Å; C563-L565 HydrophobicContact CB-CD1 4.21Å; C563-L565 PolarHBondContact O-N 2.88Å; C563-L565 VanDerWaalsContact SG-CD1 3.57Å
564E37.9Very low45.7Very low173 Ų173121.7 Ų121.781%0.80863%0.631SS**G310 helixtrans-64.28.7-179.7-68.1-179.7155.800114S566 T567E564-S566 PolarHBondContact O-N 2.79Å; E564-S566 VanDerWaalsContact O-N 3.09Å; E564-T567 PolarHBondContact O-OG1 3.49Å
565L39.6Very low47.4Very low51 Ų51125.1 Ų125.127%0.26764%0.642SS.*G310 helixtrans-54-22.7171-106.8107000114.2C563 T567 I569 V574C563-L565 HydrophobicContact CB-CD1 4.21Å; C563-L565 PolarHBondContact O-N 2.88Å; C563-L565 VanDerWaalsContact SG-CD1 3.57Å; L565-T567 PolarHBondContact O-N 3.07Å; L565-T567 VanDerWaalsContact O-N 3.17Å; L565-I569 HydrophobicContact CD2-CD1 4.08Å; L565-V574 HydrophobicContact CD2-CG1 4.47Å; L565-V574 HydrophobicContact CD2-CG2 3.89Å
566S42.4Very low49Very low102 Ų102125.1 Ų125.171%0.71365%0.645SS**G310 helixtrans-69.4-8.4-174.546.30000115E564E564-S566 PolarHBondContact O-N 2.79Å; E564-S566 VanDerWaalsContact O-N 3.09Å
567T50.9Low50.7Low117 Ų117117.1 Ų117.172%0.71861%0.608SS**G310 helixtrans-98-16.7-176.454.40000115.2E564 L565E564-T567 PolarHBondContact O-OG1 3.49Å; L565-T567 PolarHBondContact O-N 3.07Å; L565-T567 VanDerWaalsContact O-N 3.17Å
568L50.9Low52.5Low163 Ų163112.5 Ų112.585%0.85360%0.595SS**THydrogen-bonded Turntrans-125.6-13.3-172.7-79.8158.9000114.9
569I53.7Low54.3Low56 Ų56107.9 Ų107.929%0.28758%0.58SS.*SBendtrans-128.7134.2-172.8-56.7178.3000109.2L565 T571 M573 V574L565-I569 HydrophobicContact CD2-CD1 4.08Å; I569-T571 PolarHBondContact O-N 2.96Å; I569-M573 HydrophobicContact CG2-CB 3.73Å; I569-M573 HydrophobicContact CG2-CG 3.72Å; I569-M573 HydrophobicContact CG2-SD 3.77Å; I569-V574 HydrophobicContact CB-CG2 4.09Å; I569-V574 HydrophobicContact CG2-CG2 3.8Å
570D67.5Low56Low105 Ų105104.2 Ų104.256%0.56157%0.565SS**  trans-56.5135.6175.6-167.7-8.7000110.4E572 M573 V574D570-E572 PolarHBondContact O-N 3.47Å; D570-E572 VanDerWaalsContact O-N 3.15Å; D570-E572 PolarHBondContact OD1-N 2.92Å; D570-M573 HydrophobicContact CB-CB 4.42Å; D570-M573 WeakPolarHBondContact O-CA 3.22Å; D570-M573 WeakPolarHBondContact O-CB 3.49Å; D570-M573 PolarHBondContact O-N 2.87Å; D570-V574 PolarHBondContact O-N 3.22Å
571T73.7Confident57.6Low104 Ų10498.3 Ų98.364%0.63854%0.535SS*.Hα-helixtrans-51.9-37.2179.4-19.50000111.9I569 V574 E575I569-T571 PolarHBondContact O-N 2.96Å; T571-V574 PolarHBondContact O-N 3.32Å; T571-E575 PolarHBondContact O-N 3.26Å
572E71.3Confident59.2Low147 Ų14796.4 Ų96.469%0.68751%0.513SS*.Hα-helixtrans-63.6-40.4176.2-174.4179.2175.100112D570 E575 K576D570-E572 PolarHBondContact O-N 3.47Å; D570-E572 VanDerWaalsContact O-N 3.15Å; D570-E572 PolarHBondContact OD1-N 2.92Å; E572-E575 PolarHBondContact O-N 3.15Å; E572-K576 WeakPolarHBondContact O-CB 3.42Å; E572-K576 PolarHBondContact O-N 3.47Å
573M67.9Low61.1Low96 Ų9688.5 Ų88.547%0.47348%0.482SS..Hα-helixtrans-67.4-41.5177.1-176.8171178.900110.5I569 D570 K576 I577I569-M573 HydrophobicContact CG2-CB 3.73Å; I569-M573 HydrophobicContact CG2-CG 3.72Å; I569-M573 HydrophobicContact CG2-SD 3.77Å; D570-M573 HydrophobicContact CB-CB 4.42Å; D570-M573 WeakPolarHBondContact O-CA 3.22Å; D570-M573 WeakPolarHBondContact O-CB 3.49Å; D570-M573 PolarHBondContact O-N 2.87Å; M573-K576 PolarHBondContact O-N 2.88Å; M573-I577 HydrophobicContact CE-CD1 4.43Å; M573-I577 HydrophobicContact CG-CD1 3.86Å; M573-I577 HydrophobicContact CG-CG1 4.46Å; M573-I577 WeakPolarHBondContact O-CB 3.31Å; M573-I577 VanDerWaalsContact O-CD1 3.28Å; M573-I577 WeakPolarHBondContact O-CD1 3.34Å; M573-I577 WeakPolarHBondContact O-CG1 3.34Å; M573-I577 PolarHBondContact O-N 3.38Å
574V66.5Low62.6Low27 Ų2788.4 Ų88.416%0.16448%0.475CS..Hα-helixtrans-60.1-46.1174.9176.40000111.5L565 I569 D570 T571 K576 I577 H578L565-V574 HydrophobicContact CD2-CG1 4.47Å; L565-V574 HydrophobicContact CD2-CG2 3.89Å; I569-V574 HydrophobicContact CB-CG2 4.09Å; I569-V574 HydrophobicContact CG2-CG2 3.8Å; D570-V574 PolarHBondContact O-N 3.22Å; T571-V574 PolarHBondContact O-N 3.32Å; V574-K576 PolarHBondContact O-N 2.86Å; V574-I577 WeakPolarHBondContact O-CB 3.31Å; V574-I577 PolarHBondContact O-N 3.28Å; V574-H578 PolarHBondContact O-CD2 3.46Å; V574-H578 PolarHBondContact O-N 3.17Å
575E70.4Confident64Low141 Ų14180.8 Ų80.866%0.65944%0.44SS*.Hα-helixtrans-62.7-41.8176.5-75.2-173.1167.700112.4T571 E572 I577 H578 G579T571-E575 PolarHBondContact O-N 3.26Å; E572-E575 PolarHBondContact O-N 3.15Å; E575-I577 VanDerWaalsContact C-N 3.32Å; E575-I577 PolarHBondContact O-N 3.5Å; E575-H578 PolarHBondContact O-N 3.16Å; E575-G579 PolarHBondContact O-N 3.27Å
576K71.9Confident65.3Low139 Ų13985.8 Ų85.860%0.60446%0.455SS*.Hα-helixtrans-60.9-42.7175-172.1-179.5176.7-173.80111.4E572 M573 V574 G579 E580E572-K576 WeakPolarHBondContact O-CB 3.42Å; E572-K576 PolarHBondContact O-N 3.47Å; M573-K576 PolarHBondContact O-N 2.88Å; V574-K576 PolarHBondContact O-N 2.86Å; K576-G579 PolarHBondContact O-N 3.07Å; K576-E580 WeakPolarHBondContact CE-OE1 3.34Å; K576-E580 PolarHBondContact O-N 2.92Å
577I64Low66.7Low21 Ų2186.6 Ų86.611%0.10845%0.451CS..Hα-helixtrans-60.8-50.2175.9-68.6160.2000110.5M573 V574 E575 G579 E580 V581 W614M573-I577 HydrophobicContact CE-CD1 4.43Å; M573-I577 HydrophobicContact CG-CD1 3.86Å; M573-I577 HydrophobicContact CG-CG1 4.46Å; M573-I577 WeakPolarHBondContact O-CB 3.31Å; M573-I577 VanDerWaalsContact O-CD1 3.28Å; M573-I577 WeakPolarHBondContact O-CD1 3.34Å; M573-I577 WeakPolarHBondContact O-CG1 3.34Å; M573-I577 PolarHBondContact O-N 3.38Å; V574-I577 WeakPolarHBondContact O-CB 3.31Å; V574-I577 PolarHBondContact O-N 3.28Å; E575-I577 VanDerWaalsContact C-N 3.32Å; E575-I577 PolarHBondContact O-N 3.5Å; I577-G579 VanDerWaalsContact C-N 3.26Å; I577-G579 PolarHBondContact O-N 2.82Å; I577-E580 PolarHBondContact O-N 3.28Å; I577-V581 HydrophobicContact CG2-CG2 4.36Å; I577-V581 WeakPolarHBondContact O-CG2 3.21Å; I577-V581 PolarHBondContact O-N 3.16Å; I577-W614 HydrophobicContact CB-CZ2 4.1Å; I577-W614 HydrophobicContact CD1-CH2 3.51Å; I577-W614 HydrophobicContact CD1-CZ2 3.38Å; I577-W614 HydrophobicContact CG1-CH2 4.04Å; I577-W614 HydrophobicContact CG1-CZ2 3.45Å; I577-W614 VanDerWaalsContact CG1-CZ2 3.45Å; I577-W614 HydrophobicContact CG2-CD2 4.44Å; I577-W614 HydrophobicContact CG2-CH2 3.72Å; I577-W614 HydrophobicContact CG2-CZ2 3.46Å; I577-W614 VanDerWaalsContact CG2-CZ2 3.46Å; I577-W614 HydrophobicContact CG2-CZ3 4.23Å
578H69.1Low67.8Low105 Ų10583.5 Ų83.549%0.48643%0.431SS..Hα-helixtrans-59.4-38.7176.7-82.4-72000112V574 E575 A582V574-H578 PolarHBondContact O-CD2 3.46Å; V574-H578 PolarHBondContact O-N 3.17Å; E575-H578 PolarHBondContact O-N 3.16Å; H578-A582 WeakPolarHBondContact O-CB 3.44Å; H578-A582 PolarHBondContact O-N 3.17Å
579G70.4Confident69Low40 Ų4079.3 Ų79.341%0.41241%0.413SS..Hα-helixtrans-61.8-46.7175.300000113E575 K576 I577 A583E575-G579 PolarHBondContact O-N 3.27Å; K576-G579 PolarHBondContact O-N 3.07Å; I577-G579 VanDerWaalsContact C-N 3.26Å; I577-G579 PolarHBondContact O-N 2.82Å; G579-A583 WeakPolarHBondContact O-CB 3.49Å; G579-A583 PolarHBondContact O-N 3.49Å
580E70.6Confident69.9Low99 Ų9980.2 Ų80.246%0.46342%0.415SS..Hα-helixtrans-67.1-46.1178.6-74.1-179.3-171.100112K576 I577 A582 A583 I584K576-E580 WeakPolarHBondContact CE-OE1 3.34Å; K576-E580 PolarHBondContact O-N 2.92Å; I577-E580 PolarHBondContact O-N 3.28Å; E580-A582 VanDerWaalsContact C-N 3.33Å; E580-A582 PolarHBondContact O-N 3.29Å; E580-A583 WeakPolarHBondContact O-CB 3.48Å; E580-A583 PolarHBondContact O-N 3.19Å; E580-A583 VanDerWaalsContact O-N 3.16Å; E580-I584 WeakPolarHBondContact O-CG1 3.37Å; E580-I584 PolarHBondContact O-N 2.94Å
581V68.1Low70.2Confident39 Ų3975.4 Ų75.424%0.23639%0.389CS..Hα-helixtrans-60.3-44.9175.71720000110.6I577 A583 I584 L585 V610I577-V581 HydrophobicContact CG2-CG2 4.36Å; I577-V581 WeakPolarHBondContact O-CG2 3.21Å; I577-V581 PolarHBondContact O-N 3.16Å; V581-A583 VanDerWaalsContact C-N 3.29Å; V581-A583 PolarHBondContact O-N 3.24Å; V581-I584 PolarHBondContact O-N 3.48Å; V581-L585 HydrophobicContact CG1-CD1 3.84Å; V581-L585 HydrophobicContact CG1-CG 4.33Å; V581-L585 WeakPolarHBondContact O-CB 3.39Å; V581-L585 VanDerWaalsContact O-CG 3.27Å; V581-L585 WeakPolarHBondContact O-CG 3.4Å; V581-L585 PolarHBondContact O-N 2.87Å; V581-V610 HydrophobicContact CG1-CG1 4.31Å
582A68Low70.1Confident18 Ų1876.3 Ų76.315%0.14938%0.382CS..Hα-helixtrans-66.7-31178.100000112.7H578 E580 R586H578-A582 WeakPolarHBondContact O-CB 3.44Å; H578-A582 PolarHBondContact O-N 3.17Å; E580-A582 VanDerWaalsContact C-N 3.33Å; E580-A582 PolarHBondContact O-N 3.29Å; A582-R586 WeakPolarHBondContact O-CB 3.46Å; A582-R586 VanDerWaalsContact O-CG 3.28Å; A582-R586 WeakPolarHBondContact O-CG 3.37Å; A582-R586 VanDerWaalsContact O-CZ 3.26Å; A582-R586 PolarHBondContact O-N 3.49Å; A582-R586 PolarHBondContact O-NE 3.36Å
583A70.2Confident69.9Low33 Ų3375.2 Ų75.227%0.27337%0.371SS..Hα-helixtrans-68.8-47.4172.700000111.3G579 E580 V581 L585 R586 D587G579-A583 WeakPolarHBondContact O-CB 3.49Å; G579-A583 PolarHBondContact O-N 3.49Å; E580-A583 WeakPolarHBondContact O-CB 3.48Å; E580-A583 PolarHBondContact O-N 3.19Å; E580-A583 VanDerWaalsContact O-N 3.16Å; V581-A583 VanDerWaalsContact C-N 3.29Å; V581-A583 PolarHBondContact O-N 3.24Å; A583-L585 VanDerWaalsContact C-N 3.33Å; A583-L585 PolarHBondContact O-N 2.87Å; A583-R586 PolarHBondContact O-N 3.42Å; A583-R586 VanDerWaalsContact O-N 3.12Å; A583-D587 WeakPolarHBondContact O-CB 3.21Å; A583-D587 PolarHBondContact O-N 3.06Å
584I69.2Low69.8Low81 Ų8170.6 Ų70.642%0.41535%0.349SS..Hα-helixtrans-57.5-47.1176.1-67.5166.3000110.7E580 V581 R586 D588 V591E580-I584 WeakPolarHBondContact O-CG1 3.37Å; E580-I584 PolarHBondContact O-N 2.94Å; V581-I584 PolarHBondContact O-N 3.48Å; I584-R586 PolarHBondContact O-N 3.3Å; I584-D588 HydrophobicContact CG2-CB 4.34Å; I584-D588 VanDerWaalsContact O-CB 3.23Å; I584-D588 WeakPolarHBondContact O-CB 3.47Å; I584-D588 PolarHBondContact O-N 3.06Å; I584-D588 VanDerWaalsContact O-N 3.14Å; I584-V591 HydrophobicContact CG2-CG2 4.14Å
585L67.5Low69.9Low13 Ų1371.5 Ų71.57%0.06835%0.352CS..Hα-helixtrans-63.3-25.7179.8-69.7174.1000113.6Y555 V581 A583 V591 M595 V606 L607 V610Y555-L585 HydrophobicContact CE2-CD1 4.49Å; Y555-L585 WeakPolarHBondContact OH-CD1 3.49Å; V581-L585 HydrophobicContact CG1-CD1 3.84Å; V581-L585 HydrophobicContact CG1-CG 4.33Å; V581-L585 WeakPolarHBondContact O-CB 3.39Å; V581-L585 VanDerWaalsContact O-CG 3.27Å; V581-L585 WeakPolarHBondContact O-CG 3.4Å; V581-L585 PolarHBondContact O-N 2.87Å; A583-L585 VanDerWaalsContact C-N 3.33Å; A583-L585 PolarHBondContact O-N 2.87Å; L585-V591 HydrophobicContact CD2-CG1 3.88Å; L585-M595 HydrophobicContact CD2-SD 4.2Å; L585-V606 HydrophobicContact CD2-CG1 4.24Å; L585-L607 HydrophobicContact CD2-CD2 4.43Å; L585-V610 HydrophobicContact CD2-CG2 4.37Å
586R67.5Low69.7Low155 Ų15567.5 Ų67.559%0.58534%0.335SS*.Hα-helixtrans-94.7-43.6179.9-74.4-171.4-58.8-102.8-4.3113.6A582 A583 I584A582-R586 WeakPolarHBondContact O-CB 3.46Å; A582-R586 VanDerWaalsContact O-CG 3.28Å; A582-R586 WeakPolarHBondContact O-CG 3.37Å; A582-R586 VanDerWaalsContact O-CZ 3.26Å; A582-R586 PolarHBondContact O-N 3.49Å; A582-R586 PolarHBondContact O-NE 3.36Å; A583-R586 PolarHBondContact O-N 3.42Å; A583-R586 VanDerWaalsContact O-N 3.12Å; I584-R586 PolarHBondContact O-N 3.3Å
587D72.5Confident69.4Low120 Ų12061.4 Ų61.464%0.64231%0.309SS*.Hα-helixtrans-105-19.6-161.8-58.1-36000112.6A583A583-D587 WeakPolarHBondContact O-CB 3.21Å; A583-D587 PolarHBondContact O-N 3.06Å
588D73.8Confident69.3Low52 Ų5260.8 Ų60.828%0.27831%0.308SS..  trans-72.5123.5176.9-176.7-78.2000110.7I584 F590 V591 Y592I584-D588 HydrophobicContact CG2-CB 4.34Å; I584-D588 VanDerWaalsContact O-CB 3.23Å; I584-D588 WeakPolarHBondContact O-CB 3.47Å; I584-D588 PolarHBondContact O-N 3.06Å; I584-D588 VanDerWaalsContact O-N 3.14Å; D588-F590 VanDerWaalsContact C-N 3.3Å; D588-F590 PolarHBondContact O-N 3.41Å; D588-F590 WeakPolarHBondContact OD1-CA 3.31Å; D588-F590 VanDerWaalsContact OD1-CB 3.31Å; D588-F590 WeakPolarHBondContact OD1-CB 3.49Å; D588-F590 PolarHBondContact OD1-N 3.47Å; D588-V591 HydrophobicContact CB-CB 3.93Å; D588-V591 HydrophobicContact CB-CG2 3.81Å; D588-V591 PolarHBondContact O-N 2.58Å; D588-V591 PolarHBondContact OD1-N 3.39Å; D588-Y592 VanDerWaalsContact O-CB 3.26Å; D588-Y592 WeakPolarHBondContact O-CB 3.25Å; D588-Y592 PolarHBondContact O-N 3.14Å
589P74.4Confident69.1Low74 Ų7456.9 Ų56.948%0.48129%0.293SS..Hα-helixtrans-68.4-26.9-17427.3-35.2000113.5R593P589-R593 VanDerWaalsContact O-CB 3.26Å; P589-R593 WeakPolarHBondContact O-CB 3.49Å; P589-R593 PolarHBondContact O-N 2.88Å; P589-R593 VanDerWaalsContact O-N 3.13Å
590F74.1Confident69Low76 Ų7659.3 Ų59.333%0.33330%0.303SS..Hα-helixtrans-77.8-44.8176.5-59.3-76.7000110.3A22 D25 I26 D588 Y592 R593 A594A22-F590 HydrophobicContact CB-CB 4.3Å; A22-F590 WeakPolarHBondContact CB-O 3.39Å; D25-F590 HydrophobicContact CB-CD1 3.98Å; D25-F590 HydrophobicContact CB-CE1 4.06Å; D25-F590 HydrophobicContact CB-CG 4.47Å; D25-F590 VanDerWaalsContact OD2-CE1 3.27Å; D25-F590 WeakPolarHBondContact OD2-CE1 3.4Å; I26-F590 HydrophobicContact CD1-CB 4.2Å; I26-F590 HydrophobicContact CG1-CB 3.97Å; D588-F590 VanDerWaalsContact C-N 3.3Å; D588-F590 PolarHBondContact O-N 3.41Å; D588-F590 WeakPolarHBondContact OD1-CA 3.31Å; D588-F590 VanDerWaalsContact OD1-CB 3.31Å; D588-F590 WeakPolarHBondContact OD1-CB 3.49Å; D588-F590 PolarHBondContact OD1-N 3.47Å; F590-Y592 PolarHBondContact O-N 2.98Å; F590-R593 PolarHBondContact O-N 3.19Å; F590-A594 WeakPolarHBondContact O-CB 3.3Å; F590-A594 PolarHBondContact O-N 2.87Å
591V73.7Confident68.9Low4 Ų457.9 Ų57.92%0.02429%0.294CS..Hα-helixtrans-60-48.7175.7176.10000110.5I26 I584 L585 D588 R593 A594 M595 V606I26-V591 HydrophobicContact CD1-CB 4.47Å; I26-V591 HydrophobicContact CD1-CG2 3.81Å; I26-V591 HydrophobicContact CG1-CG2 4.39Å; I584-V591 HydrophobicContact CG2-CG2 4.14Å; L585-V591 HydrophobicContact CD2-CG1 3.88Å; D588-V591 HydrophobicContact CB-CB 3.93Å; D588-V591 HydrophobicContact CB-CG2 3.81Å; D588-V591 PolarHBondContact O-N 2.58Å; D588-V591 PolarHBondContact OD1-N 3.39Å; V591-R593 VanDerWaalsContact C-N 3.31Å; V591-R593 PolarHBondContact O-N 3.32Å; V591-A594 PolarHBondContact O-N 3.03Å; V591-M595 HydrophobicContact CG1-CG 4.37Å; V591-M595 HydrophobicContact CG1-SD 4.05Å; V591-M595 WeakPolarHBondContact O-CB 3.39Å; V591-M595 WeakPolarHBondContact O-CG 3.38Å; V591-M595 PolarHBondContact O-N 3.5Å; V591-V606 HydrophobicContact CG1-CG1 3.78Å
592Y71.2Confident68.9Low122 Ų12256.1 Ų56.148%0.47828%0.283SS..Hα-helixtrans-56.2-45.1174.8-178.8-102.1000111.6D588 F590 M595 N596D588-Y592 VanDerWaalsContact O-CB 3.26Å; D588-Y592 WeakPolarHBondContact O-CB 3.25Å; D588-Y592 PolarHBondContact O-N 3.14Å; F590-Y592 PolarHBondContact O-N 2.98Å; Y592-M595 PolarHBondContact O-N 2.81Å; Y592-N596 WeakPolarHBondContact CD1-ND2 3.38Å; Y592-N596 VanDerWaalsContact CD2-ND2 3.28Å; Y592-N596 WeakPolarHBondContact CD2-ND2 3.34Å; Y592-N596 WeakPolarHBondContact CE1-ND2 3.45Å; Y592-N596 WeakPolarHBondContact CE2-ND2 3.38Å; Y592-N596 VanDerWaalsContact CG-ND2 3.31Å; Y592-N596 VanDerWaalsContact O-CB 3.29Å; Y592-N596 WeakPolarHBondContact O-CB 3.39Å; Y592-N596 PolarHBondContact O-N 3.31Å; Y592-N596 PolarHBondContact O-ND2 2.88Å; Y592-N596 PolarHBondContact OH-ND2 2.68Å
593R68.2Low68.9Low124 Ų12458.4 Ų58.447%0.46829%0.29SS..Hα-helixtrans-65.2-43.4179.3-172.3178.7-59.8147.45.3112.5A22 P589 F590 V591 N596A22-R593 HydrophobicContact CB-CB 4.03Å; A22-R593 HydrophobicContact CB-CG 4.21Å; P589-R593 VanDerWaalsContact O-CB 3.26Å; P589-R593 WeakPolarHBondContact O-CB 3.49Å; P589-R593 PolarHBondContact O-N 2.88Å; P589-R593 VanDerWaalsContact O-N 3.13Å; F590-R593 PolarHBondContact O-N 3.19Å; V591-R593 VanDerWaalsContact C-N 3.31Å; V591-R593 PolarHBondContact O-N 3.32Å; R593-N596 PolarHBondContact O-N 2.84Å
594A64.3Low69.1Low0 Ų063.4 Ų63.40%031%0.307CS..Hα-helixtrans-65.9-40.7177.900000111.7A22 I26 F590 V591 N596 C597 H602 V606A22-A594 HydrophobicContact CB-CB 4.07Å; I26-A594 HydrophobicContact CD1-CB 4.49Å; F590-A594 WeakPolarHBondContact O-CB 3.3Å; F590-A594 PolarHBondContact O-N 2.87Å; V591-A594 PolarHBondContact O-N 3.03Å; A594-N596 PolarHBondContact O-N 3.25Å; A594-C597 PolarHBondContact O-SG 3.17Å; A594-H602 WeakPolarHBondContact O-CB 3.39Å; A594-V606 HydrophobicContact CB-CG2 3.45Å; A594-V606 VanDerWaalsContact CB-CG2 3.45Å
595M68.4Low69.2Low45 Ų4560.3 Ų60.322%0.22229%0.294CS..Hα-helixtrans-68.5-30.6177.4-73.6-17060.900113.6L585 V591 Y592 C597 V606L585-M595 HydrophobicContact CD2-SD 4.2Å; V591-M595 HydrophobicContact CG1-CG 4.37Å; V591-M595 HydrophobicContact CG1-SD 4.05Å; V591-M595 WeakPolarHBondContact O-CB 3.39Å; V591-M595 WeakPolarHBondContact O-CG 3.38Å; V591-M595 PolarHBondContact O-N 3.5Å; Y592-M595 PolarHBondContact O-N 2.81Å; M595-C597 PolarHBondContact O-N 3.16Å; M595-V606 HydrophobicContact CG-CG1 4.22Å
596N67Low69.5Low58 Ų5859.7 Ų59.731%0.3129%0.291SS..THydrogen-bonded Turntrans-83.5-2.4-173.8-78.1-37.3000116.1Y592 R593 A594 G598Y592-N596 WeakPolarHBondContact CD1-ND2 3.38Å; Y592-N596 VanDerWaalsContact CD2-ND2 3.28Å; Y592-N596 WeakPolarHBondContact CD2-ND2 3.34Å; Y592-N596 WeakPolarHBondContact CE1-ND2 3.45Å; Y592-N596 WeakPolarHBondContact CE2-ND2 3.38Å; Y592-N596 VanDerWaalsContact CG-ND2 3.31Å; Y592-N596 VanDerWaalsContact O-CB 3.29Å; Y592-N596 WeakPolarHBondContact O-CB 3.39Å; Y592-N596 PolarHBondContact O-N 3.31Å; Y592-N596 PolarHBondContact O-ND2 2.88Å; Y592-N596 PolarHBondContact OH-ND2 2.68Å; R593-N596 PolarHBondContact O-N 2.84Å; A594-N596 PolarHBondContact O-N 3.25Å; N596-G598 PolarHBondContact O-N 2.92Å
597C66.2Low69.9Low10 Ų1056.1 Ų56.17%0.06828%0.283CS..THydrogen-bonded Turntrans-65.7-22.9169.665.20000112.3V15 A19 A594 M595 C599 H602V15-C597 HydrophobicContact CG1-CB 4.19Å; A19-C597 HydrophobicContact CB-CB 3.57Å; A594-C597 PolarHBondContact O-SG 3.17Å; M595-C597 PolarHBondContact O-N 3.16Å; C597-C599 PolarHBondContact O-N 3.05Å; C597-C599 PolarHBondContact SG-N 2.81Å; C597-C599 VanDerWaalsContact SG-N 3.4Å; C597-H602 PolarHBondContact SG-ND1 3.07Å
598G61.4Low70.1Confident8 Ų856.2 Ų56.28%0.08228%0.28CS..  trans76.24.8-178.100000114.5C549 N596C549-G598 WeakPolarHBondContact CB-O 3.35Å; C549-G598 PolarHBondContact N-O 2.91Å; N596-G598 PolarHBondContact O-N 2.92Å
599C65Low70.1Confident24 Ų2454.4 Ų54.416%0.16227%0.27CS..  trans-76134.2170.8-1780000110.7C597 Y601 K603C597-C599 PolarHBondContact O-N 3.05Å; C597-C599 PolarHBondContact SG-N 2.81Å; C597-C599 VanDerWaalsContact SG-N 3.4Å; C599-Y601 PolarHBondContact O-N 3.34Å; C599-Y601 PolarHBondContact SG-N 3.11Å; C599-K603 PolarHBondContact O-N 3.2Å
600S68.7Low69.9Low90 Ų9051.8 Ų51.863%0.62925%0.252SS*.Hα-helixtrans-63.3-32.2177.458.20000112.3K603 E604S600-K603 PolarHBondContact O-N 2.83Å; S600-E604 WeakPolarHBondContact O-CB 3.37Å; S600-E604 PolarHBondContact O-N 3.43Å
601Y67.5Low69.8Low70 Ų7051.8 Ų51.828%0.27526%0.261SS..Hα-helixtrans-63.2-55.4179.9177.9-103.2000112.5L23 D384 H500 C599 K603 E604 A605L23-Y601 HydrophobicContact CD2-CE1 4.34Å; D384-Y601 WeakPolarHBondContact OD2-CE1 3.48Å; D384-Y601 VanDerWaalsContact OD2-CZ 3.32Å; D384-Y601 PolarHBondContact OD2-OH 3.45Å; H500-Y601 AromaticContact CE1-CG 3.75Å; H500-Y601 AromaticContact ND1-CG 3.97Å; H500-Y601 WeakPolarHBondContact NE2-CB 3.25Å; H500-Y601 AromaticContact NE2-CG 3.82Å; C599-Y601 PolarHBondContact O-N 3.34Å; C599-Y601 PolarHBondContact SG-N 3.11Å; Y601-K603 PolarHBondContact O-N 3.44Å; Y601-E604 PolarHBondContact O-N 2.83Å; Y601-A605 VanDerWaalsContact O-CB 3.28Å; Y601-A605 WeakPolarHBondContact O-CB 3.24Å; Y601-A605 PolarHBondContact O-N 2.87Å
602H67.6Low69.6Low2 Ų254.7 Ų54.71%0.00927%0.274CS..Hα-helixtrans-61.1-35.5178.9-64.9105.9000111.6E16 S20 A594 C597 V606E16-H602 IonicContact OE2-CE1 2.81Å; E16-H602 PolarHBondContact OE2-CE1 3.21Å; E16-H602 IonicContact OE2-ND1 3.72Å; S20-H602 PolarHBondContact N-NE2 3.16Å; S20-H602 PolarHBondContact OG-NE2 2.87Å; A594-H602 WeakPolarHBondContact O-CB 3.39Å; C597-H602 PolarHBondContact SG-ND1 3.07Å; H602-V606 VanDerWaalsContact O-CB 3.32Å; H602-V606 WeakPolarHBondContact O-CB 3.28Å; H602-V606 WeakPolarHBondContact O-CG2 3.49Å; H602-V606 PolarHBondContact O-N 3.27Å
603K68.6Low69.2Low66 Ų6650.6 Ų50.629%0.28726%0.262SS..Hα-helixtrans-62.4-49.4175-172.6-178.9177.8-174.60111.8C599 S600 Y601 L607C599-K603 PolarHBondContact O-N 3.2Å; S600-K603 PolarHBondContact O-N 2.83Å; Y601-K603 PolarHBondContact O-N 3.44Å; K603-L607 VanDerWaalsContact O-CG 3.31Å; K603-L607 WeakPolarHBondContact O-CG 3.4Å; K603-L607 PolarHBondContact O-N 2.95Å; K603-L607 VanDerWaalsContact O-N 3.15Å
604E74Confident69.1Low137 Ų13747.4 Ų47.464%0.6425%0.25SC*.Hα-helixtrans-66.1-41.4178.4-172.5172.5-171.100111.9S600 Y601 L607 H608S600-E604 WeakPolarHBondContact O-CB 3.37Å; S600-E604 PolarHBondContact O-N 3.43Å; Y601-E604 PolarHBondContact O-N 2.83Å; E604-L607 PolarHBondContact O-N 3.2Å; E604-H608 WeakPolarHBondContact O-CB 3.47Å; E604-H608 PolarHBondContact O-N 3.07Å
605A72.3Confident69.1Low17 Ų1748.7 Ų48.714%0.1426%0.259CS..Hα-helixtrans-64.4-42.217800000112.3L23 Y601 L607 H608 L609L23-A605 HydrophobicContact CD1-CB 3.77Å; L23-A605 HydrophobicContact CD2-CB 3.71Å; L23-A605 HydrophobicContact CG-CB 4.38Å; Y601-A605 VanDerWaalsContact O-CB 3.28Å; Y601-A605 WeakPolarHBondContact O-CB 3.24Å; Y601-A605 PolarHBondContact O-N 2.87Å; A605-L607 VanDerWaalsContact C-N 3.35Å; A605-H608 PolarHBondContact O-N 3.1Å; A605-L609 WeakPolarHBondContact O-CB 3.45Å; A605-L609 WeakPolarHBondContact O-CD1 3.26Å; A605-L609 VanDerWaalsContact O-CG 3.31Å; A605-L609 WeakPolarHBondContact O-CG 3.47Å; A605-L609 PolarHBondContact O-N 2.81Å
606V74.3Confident68.9Low0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-58.8-47.1172.6164.10000110.6L23 I26 L585 V591 A594 M595 H602 H608 L609 V610L23-V606 HydrophobicContact CD1-CG2 3.9Å; I26-V606 HydrophobicContact CD1-CG2 4.24Å; L585-V606 HydrophobicContact CD2-CG1 4.24Å; V591-V606 HydrophobicContact CG1-CG1 3.78Å; A594-V606 HydrophobicContact CB-CG2 3.45Å; A594-V606 VanDerWaalsContact CB-CG2 3.45Å; M595-V606 HydrophobicContact CG-CG1 4.22Å; H602-V606 VanDerWaalsContact O-CB 3.32Å; H602-V606 WeakPolarHBondContact O-CB 3.28Å; H602-V606 WeakPolarHBondContact O-CG2 3.49Å; H602-V606 PolarHBondContact O-N 3.27Å; V606-H608 PolarHBondContact O-N 2.68Å; V606-L609 PolarHBondContact O-N 3.2Å; V606-V610 HydrophobicContact CG1-CG2 4.32Å; V606-V610 WeakPolarHBondContact O-CB 3.44Å; V606-V610 VanDerWaalsContact O-CG2 3.24Å; V606-V610 WeakPolarHBondContact O-CG2 3.34Å; V606-V610 PolarHBondContact O-N 3.48Å
607L75.4Confident68.7Low79 Ų7948.8 Ų48.841%0.41426%0.262SS..Hα-helixtrans-61.5-46.4179.2-69.9170.8000111.3L585 K603 E604 A605 L609 V610 C611L585-L607 HydrophobicContact CD2-CD2 4.43Å; K603-L607 VanDerWaalsContact O-CG 3.31Å; K603-L607 WeakPolarHBondContact O-CG 3.4Å; K603-L607 PolarHBondContact O-N 2.95Å; K603-L607 VanDerWaalsContact O-N 3.15Å; E604-L607 PolarHBondContact O-N 3.2Å; A605-L607 VanDerWaalsContact C-N 3.35Å; L607-L609 PolarHBondContact O-N 3.45Å; L607-V610 PolarHBondContact O-N 3.23Å; L607-C611 WeakPolarHBondContact O-CB 3.47Å; L607-C611 PolarHBondContact O-N 3.39Å; L607-C611 PolarHBondContact O-SG 3Å
608H76.5Confident68.5Low123 Ų12351.9 Ų51.957%0.56928%0.281SS*.Hα-helixtrans-60-45.5176.6-176.9-82000112.1E604 A605 V606 C611 Q612E604-H608 WeakPolarHBondContact O-CB 3.47Å; E604-H608 PolarHBondContact O-N 3.07Å; A605-H608 PolarHBondContact O-N 3.1Å; V606-H608 PolarHBondContact O-N 2.68Å; H608-C611 PolarHBondContact O-N 2.88Å; H608-Q612 WeakPolarHBondContact O-CB 3.46Å; H608-Q612 PolarHBondContact O-N 3.44Å
609L72.7Confident67.9Low13 Ų1354.6 Ų54.67%0.06831%0.309CS..Hα-helixtrans-65.6-40.4179-77.9162000112.6L23 I26 T27 A30 A605 V606 L607 Q612 T613L23-L609 HydrophobicContact CD1-CD1 3.32Å; L23-L609 HydrophobicContact CG-CD1 3.92Å; I26-L609 HydrophobicContact CG2-CB 3.96Å; I26-L609 HydrophobicContact CG2-CD1 4.08Å; T27-L609 HydrophobicContact CG2-CD2 4.23Å; T27-L609 WeakPolarHBondContact OG1-CD1 3.44Å; A30-L609 HydrophobicContact CB-CD2 4.19Å; A605-L609 WeakPolarHBondContact O-CB 3.45Å; A605-L609 WeakPolarHBondContact O-CD1 3.26Å; A605-L609 VanDerWaalsContact O-CG 3.31Å; A605-L609 WeakPolarHBondContact O-CG 3.47Å; A605-L609 PolarHBondContact O-N 2.81Å; V606-L609 PolarHBondContact O-N 3.2Å; L607-L609 PolarHBondContact O-N 3.45Å; L609-Q612 PolarHBondContact O-N 3.35Å; L609-T613 WeakPolarHBondContact O-CB 3.2Å; L609-T613 PolarHBondContact O-N 3.25Å; L609-T613 PolarHBondContact O-OG1 3.23Å
610V71.6Confident66.9Low19 Ų1955.2 Ų55.212%0.11532%0.319CS..Hα-helixtrans-62.9-44.9175.2170.20000109.9V581 L585 V606 L607 W614V581-V610 HydrophobicContact CG1-CG1 4.31Å; L585-V610 HydrophobicContact CD2-CG2 4.37Å; V606-V610 HydrophobicContact CG1-CG2 4.32Å; V606-V610 WeakPolarHBondContact O-CB 3.44Å; V606-V610 VanDerWaalsContact O-CG2 3.24Å; V606-V610 WeakPolarHBondContact O-CG2 3.34Å; V606-V610 PolarHBondContact O-N 3.48Å; L607-V610 PolarHBondContact O-N 3.23Å; V610-W614 WeakPolarHBondContact O-CB 3.45Å; V610-W614 PolarHBondContact O-N 3.02Å; V610-W614 VanDerWaalsContact O-N 3.09Å
611C71.3Confident65.2Low77 Ų7756.5 Ų56.552%0.5233%0.328SS..Hα-helixtrans-61.5-44.7174.6-70.60000112.5L607 H608 W614 S615L607-C611 WeakPolarHBondContact O-CB 3.47Å; L607-C611 PolarHBondContact O-N 3.39Å; L607-C611 PolarHBondContact O-SG 3Å; H608-C611 PolarHBondContact O-N 2.88Å; C611-W614 PolarHBondContact O-N 2.96Å; C611-S615 PolarHBondContact O-N 3.47Å
612Q68.7Low63.6Low65 Ų6560.2 Ų60.230%0.30435%0.351SS..Hα-helixtrans-64.6-49.6179.6-178-176.9-11.300111.9H608 L609 W614 S615 D616H608-Q612 WeakPolarHBondContact O-CB 3.46Å; H608-Q612 PolarHBondContact O-N 3.44Å; L609-Q612 PolarHBondContact O-N 3.35Å; Q612-W614 PolarHBondContact O-N 3.14Å; Q612-S615 WeakPolarHBondContact O-CB 3.42Å; Q612-S615 PolarHBondContact O-N 3.33Å; Q612-S615 VanDerWaalsContact O-N 3.16Å; Q612-D616 PolarHBondContact O-N 2.84Å
613T62.9Low63.4Low36 Ų3663.1 Ų63.122%0.22137%0.368CS..Hα-helixtrans-56.2-39.2177.5-52.40000110.2A30 A33 L609 D616 V617A30-T613 WeakPolarHBondContact CB-OG1 3.43Å; A33-T613 HydrophobicContact CB-CG2 3.98Å; L609-T613 WeakPolarHBondContact O-CB 3.2Å; L609-T613 PolarHBondContact O-N 3.25Å; L609-T613 PolarHBondContact O-OG1 3.23Å; T613-D616 PolarHBondContact O-N 3.16Å; T613-V617 HydrophobicContact CG2-CG2 4.48Å; T613-V617 WeakPolarHBondContact O-CB 3.43Å; T613-V617 WeakPolarHBondContact O-CG2 3.38Å; T613-V617 PolarHBondContact O-N 3.04Å
614W66.9Low63.2Low56 Ų5662.9 Ų62.921%0.21237%0.373CS..Hα-helixtrans-71-42.4179.1-16066.3000112.5I577 V610 C611 Q612 D616 V617 V618 I622I577-W614 HydrophobicContact CB-CZ2 4.1Å; I577-W614 HydrophobicContact CD1-CH2 3.51Å; I577-W614 HydrophobicContact CD1-CZ2 3.38Å; I577-W614 HydrophobicContact CG1-CH2 4.04Å; I577-W614 HydrophobicContact CG1-CZ2 3.45Å; I577-W614 VanDerWaalsContact CG1-CZ2 3.45Å; I577-W614 HydrophobicContact CG2-CD2 4.44Å; I577-W614 HydrophobicContact CG2-CH2 3.72Å; I577-W614 HydrophobicContact CG2-CZ2 3.46Å; I577-W614 VanDerWaalsContact CG2-CZ2 3.46Å; I577-W614 HydrophobicContact CG2-CZ3 4.23Å; V610-W614 WeakPolarHBondContact O-CB 3.45Å; V610-W614 PolarHBondContact O-N 3.02Å; V610-W614 VanDerWaalsContact O-N 3.09Å; C611-W614 PolarHBondContact O-N 2.96Å; Q612-W614 PolarHBondContact O-N 3.14Å; W614-D616 VanDerWaalsContact C-N 3.3Å; W614-D616 PolarHBondContact O-N 2.64Å; W614-V617 PolarHBondContact O-N 2.74Å; W614-V618 HydrophobicContact CD2-CG2 4.09Å; W614-V618 HydrophobicContact CG-CG2 4.33Å; W614-V618 HydrophobicContact CH2-CG2 4.43Å; W614-V618 HydrophobicContact CZ2-CB 4.49Å; W614-V618 HydrophobicContact CZ2-CG1 4.44Å; W614-V618 HydrophobicContact CZ2-CG2 3.68Å; W614-V618 WeakPolarHBondContact O-CB 3.3Å; W614-V618 WeakPolarHBondContact O-CG2 3.42Å; W614-V618 PolarHBondContact O-N 3.37Å; W614-I622 HydrophobicContact CD2-CD1 4.3Å; W614-I622 HydrophobicContact CE3-CD1 3.1Å; W614-I622 HydrophobicContact CE3-CG1 4.25Å; W614-I622 HydrophobicContact CZ3-CD1 3.27Å; W614-I622 HydrophobicContact CZ3-CG1 3.94Å
615S64.6Low62.6Low27 Ų2758.8 Ų58.819%0.18936%0.358CS..Hα-helixtrans-55.2-44.5170.4173.60000111.9C611 Q612 G619 G620C611-S615 PolarHBondContact O-N 3.47Å; Q612-S615 WeakPolarHBondContact O-CB 3.42Å; Q612-S615 PolarHBondContact O-N 3.33Å; Q612-S615 VanDerWaalsContact O-N 3.16Å; S615-G619 PolarHBondContact O-N 3.11Å; S615-G620 WeakPolarHBondContact CA-O 3.38Å; S615-G620 WeakPolarHBondContact CB-O 3.47Å; S615-G620 PolarHBondContact O-N 2.94Å; S615-G620 PolarHBondContact OG-O 3.22Å
616D64.4Low62Low42 Ų4261.3 Ų61.323%0.22537%0.371CS..Hα-helixtrans-70.3-31-178.9-76.8-14000112.9P35 R350 Q612 T613 W614P35-D616 WeakPolarHBondContact CD-O 3.46Å; R350-D616 IonicContact CZ-OD2 3.14Å; R350-D616 IonicContact NH1-OD1 3.7Å; R350-D616 IonicContact NH1-OD2 3.39Å; R350-D616 PolarHBondContact NH1-OD2 2.81Å; Q612-D616 PolarHBondContact O-N 2.84Å; T613-D616 PolarHBondContact O-N 3.16Å; W614-D616 VanDerWaalsContact C-N 3.3Å; W614-D616 PolarHBondContact O-N 2.64Å
617V62.6Low61.2Low63 Ų6365.1 Ų65.138%0.38239%0.394SS..Hα-helixtrans-82-39.5178.1170.60000112.2A33 T613 W614A33-V617 HydrophobicContact CB-CG2 4.2Å; T613-V617 HydrophobicContact CG2-CG2 4.48Å; T613-V617 WeakPolarHBondContact O-CB 3.43Å; T613-V617 WeakPolarHBondContact O-CG2 3.38Å; T613-V617 PolarHBondContact O-N 3.04Å; W614-V617 PolarHBondContact O-N 2.74Å
618V62.2Low60.3Low75 Ų7564.2 Ų64.246%0.45539%0.393SS..Hα-helixtrans-87.2-19-175.9179.80000112.4W614W614-V618 HydrophobicContact CD2-CG2 4.09Å; W614-V618 HydrophobicContact CG-CG2 4.33Å; W614-V618 HydrophobicContact CH2-CG2 4.43Å; W614-V618 HydrophobicContact CZ2-CB 4.49Å; W614-V618 HydrophobicContact CZ2-CG1 4.44Å; W614-V618 HydrophobicContact CZ2-CG2 3.68Å; W614-V618 WeakPolarHBondContact O-CB 3.3Å; W614-V618 WeakPolarHBondContact O-CG2 3.42Å; W614-V618 PolarHBondContact O-N 3.37Å
619G49.1Very low59.1Low66 Ų6660 Ų6068%0.6838%0.38SS*.THydrogen-bonded Turntrans82.129.5174.400000114.6S615S615-G619 PolarHBondContact O-N 3.11Å
620G44Very low58.1Low36 Ų3663.6 Ų63.637%0.37140%0.404SS..SBendtrans-148136.2177.500000112.1S615 I622S615-G620 WeakPolarHBondContact CA-O 3.38Å; S615-G620 WeakPolarHBondContact CB-O 3.47Å; S615-G620 PolarHBondContact O-N 2.94Å; S615-G620 PolarHBondContact OG-O 3.22Å; G620-I622 PolarHBondContact O-N 3.07Å
621S32.5Very low57Low117 Ų11767.3 Ų67.382%0.81843%0.428SS*.  trans-66.5126.1169.357.60000109.4
622I34.2Very low55.7Low148 Ų14866.5 Ų66.576%0.75942%0.42SS*.  trans-93.80174.8-61.5147.1000109.6W614 G620W614-I622 HydrophobicContact CD2-CD1 4.3Å; W614-I622 HydrophobicContact CE3-CD1 3.1Å; W614-I622 HydrophobicContact CE3-CG1 4.25Å; W614-I622 HydrophobicContact CZ3-CD1 3.27Å; W614-I622 HydrophobicContact CZ3-CG1 3.94Å; G620-I622 PolarHBondContact O-N 3.07Å

Retrieved 622 of 622 residues in 200.5 ms (Link to these results)

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