G4VEU7_SCHMA Loading...

Gag protein

AlphaFold DB , UniProt , Accession G4VEU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 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
1M34.2Very low66.2Low238 Ų238119.7 Ų119.7100%1.17260%0.597SS**  0103.20-73.9173.8161.900108.1T3M1-T3 PolarHBondContact O-N 3.42Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2T35.1Very low67.7Low147 Ų147115.8 Ų115.890%0.90257%0.57SS**  trans-73.798.5174.3-1.70000107K4T2-K4 PolarHBondContact O-N 2.76Å
3T45.9Very low68.9Low129 Ų129113.5 Ų113.579%0.79157%0.572SS**  trans-58.1105.9166.841.50000106.1M1 S5M1-T3 PolarHBondContact O-N 3.42Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.3Å
4K51.1Low70.2Confident190 Ų190109.9 Ų109.983%0.82656%0.556SS**  trans-53.1107.3165.9-83.7-177.5175.3178.80104.8T2 R6T2-K4 PolarHBondContact O-N 2.76Å; K4-R6 VanDerWaalsContact C-N 3.3Å; K4-R6 PolarHBondContact O-N 3.38Å
5S59.5Low71.5Confident41 Ų41103.7 Ų103.729%0.28753%0.526SS..  trans-56.9100.7172.932.10000106.1T3 Y25 H29T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.3Å; S5-Y25 WeakPolarHBondContact O-CE2 3.25Å; S5-H29 PolarHBondContact OG-CE1 2.92Å; S5-H29 PolarHBondContact OG-NE2 3.28Å
6R74.3Confident72.7Confident224 Ų224105.2 Ų105.285%0.84553%0.53SS*.PPolyproline II helixtrans-70143.6174.7-66.6-175179.6-175.6-0.6107K4K4-R6 VanDerWaalsContact C-N 3.3Å; K4-R6 PolarHBondContact O-N 3.38Å
7L80.9Confident73.8Confident35 Ų35104.2 Ų104.218%0.18353%0.526CS..PPolyproline II helixtrans-54.7141.3166.1-77.9160.6000108.5L22 Y25 D40 I44L7-L22 HydrophobicContact CD2-CD1 3.46Å; L7-L22 VanDerWaalsContact CD2-CD1 3.46Å; L7-Y25 HydrophobicContact CD2-CD1 3.41Å; L7-Y25 VanDerWaalsContact CD2-CD1 3.41Å; L7-Y25 HydrophobicContact CD2-CD2 4.4Å; L7-Y25 HydrophobicContact CD2-CE1 3.27Å; L7-Y25 HydrophobicContact CD2-CE2 4.27Å; L7-Y25 HydrophobicContact CD2-CG 4Å; L7-Y25 HydrophobicContact CG-CD1 4.44Å; L7-Y25 HydrophobicContact CG-CE1 3.92Å; L7-Y25 HydrophobicContact CG-CE2 4.41Å; L7-D40 HydrophobicContact CD1-CB 4.23Å; L7-I44 HydrophobicContact CB-CD1 3.96Å; L7-I44 HydrophobicContact CB-CG2 3.83Å; L7-I44 HydrophobicContact CD1-CD1 4.25Å; L7-I44 HydrophobicContact CD1-CG2 3.48Å; L7-I44 VanDerWaalsContact CD1-CG2 3.48Å; L7-I44 HydrophobicContact CD2-CD1 4.29Å; L7-I44 HydrophobicContact CG-CD1 4.4Å; L7-I44 HydrophobicContact CG-CG2 4.26Å
8P84.2Confident74.9Confident34 Ų3498.6 Ų98.622%0.22150%0.498CS..PPolyproline II helixtrans-59.7140177.826.5-33.6000109.8L22P8-L22 HydrophobicContact CG-CD1 4.4Å
9E87.7Confident76Confident183 Ų18393.4 Ų93.486%0.85547%0.472SS*.PPolyproline II helixtrans-62.5141.3170.5-66.8-174.7154.600109.2D11 W18E9-D11 PolarHBondContact O-N 3.46Å; E9-W18 VanDerWaalsContact O-CD1 3.25Å; E9-W18 PolarHBondContact O-NE1 3.05Å
10F88.8Confident77Confident27 Ų2790.7 Ų90.712%0.11846%0.464CS..PPolyproline II helixtrans-65119.1-176.9-178.7-98.1000111.7R12 W18 P46 V49 L77F10-R12 HydrophobicContact CD1-CB 4.43Å; F10-R12 HydrophobicContact CE1-CB 3.79Å; F10-R12 HydrophobicContact CE1-CG 4.23Å; F10-W18 HydrophobicContact CB-CZ2 4.12Å; F10-W18 AromaticContact CD2-CD2 3.7Å; F10-W18 HydrophobicContact CD2-CD2 3.7Å; F10-W18 AromaticContact CD2-CE2 3.83Å; F10-W18 AromaticContact CD2-CE3 3.57Å; F10-W18 HydrophobicContact CD2-CE3 3.57Å; F10-W18 HydrophobicContact CD2-CG 4.45Å; F10-W18 AromaticContact CD2-CH2 3.67Å; F10-W18 HydrophobicContact CD2-CH2 3.67Å; F10-W18 AromaticContact CD2-CZ2 3.82Å; F10-W18 HydrophobicContact CD2-CZ2 3.82Å; F10-W18 AromaticContact CD2-CZ3 3.54Å; F10-W18 HydrophobicContact CD2-CZ3 3.54Å; F10-W18 HydrophobicContact CE2-CD2 4.14Å; F10-W18 AromaticContact CE2-CE3 3.7Å; F10-W18 HydrophobicContact CE2-CE3 3.7Å; F10-W18 HydrophobicContact CE2-CH2 4.42Å; F10-W18 AromaticContact CE2-CZ3 3.85Å; F10-W18 HydrophobicContact CE2-CZ3 3.85Å; F10-W18 HydrophobicContact CG-CZ2 4.49Å; F10-P46 HydrophobicContact CB-CG 3.78Å; F10-P46 HydrophobicContact CD1-CG 4.08Å; F10-P46 HydrophobicContact CG-CG 4.27Å; F10-V49 HydrophobicContact CD1-CG2 3.71Å; F10-V49 HydrophobicContact CE1-CB 4.48Å; F10-V49 HydrophobicContact CE1-CG1 4.3Å; F10-V49 HydrophobicContact CE1-CG2 3.47Å; F10-V49 VanDerWaalsContact CE1-CG2 3.47Å; F10-V49 HydrophobicContact CZ-CG1 4.31Å; F10-V49 HydrophobicContact CZ-CG2 4.27Å; F10-L77 HydrophobicContact CE1-CD1 4.32Å; F10-L77 HydrophobicContact CE2-CD1 4.49Å; F10-L77 HydrophobicContact CZ-CD1 3.58Å
11D86.9Confident77.8Confident69 Ų6991.1 Ų91.137%0.36946%0.464SS..  trans-97.7115.1172.4-173.11000110.2E9 S13 W18E9-D11 PolarHBondContact O-N 3.46Å; D11-S13 VanDerWaalsContact OD1-CB 3.32Å; D11-S13 WeakPolarHBondContact OD1-CB 3.34Å; D11-S13 PolarHBondContact OD1-N 3.42Å; D11-S13 PolarHBondContact OD1-OG 3.04Å; D11-S13 PolarHBondContact OD2-OG 3.46Å; D11-W18 HydrophobicContact CB-CB 4.37Å; D11-W18 HydrophobicContact CB-CG 4.49Å
12R84.3Confident80.7Confident73 Ų7379.8 Ų79.828%0.27541%0.409SS..SBendtrans-79.8-19.2177.2-167.3174.3-178.9119.6-2112.6F10 P15 E52 D81F10-R12 HydrophobicContact CD1-CB 4.43Å; F10-R12 HydrophobicContact CE1-CB 3.79Å; F10-R12 HydrophobicContact CE1-CG 4.23Å; R12-P15 WeakPolarHBondContact O-CD 3.29Å; R12-E52 IonicContact NH2-OE1 3.21Å; R12-D81 IonicContact NE-OD2 3.36Å
13S83.4Confident83.6Confident85 Ų8574.5 Ų74.559%0.59437%0.373SS*.SBendtrans-70.4-35-176.470.40000112.4D11D11-S13 VanDerWaalsContact OD1-CB 3.32Å; D11-S13 WeakPolarHBondContact OD1-CB 3.34Å; D11-S13 PolarHBondContact OD1-N 3.42Å; D11-S13 PolarHBondContact OD1-OG 3.04Å; D11-S13 PolarHBondContact OD2-OG 3.46Å
14D86.4Confident85.9Confident64 Ų6474.8 Ų74.834%0.34237%0.366SS..  trans-140.181.4172.8-169.3-17.9000110.6E16 L17 W18D14-E16 PolarHBondContact O-N 3.15Å; D14-E16 PolarHBondContact OD1-N 3.25Å; D14-L17 HydrophobicContact CB-CB 4Å; D14-L17 PolarHBondContact O-N 2.89Å; D14-L17 WeakPolarHBondContact OD1-CB 3.45Å; D14-L17 PolarHBondContact OD1-N 3.43Å; D14-L17 VanDerWaalsContact OD2-CB 3.27Å; D14-L17 WeakPolarHBondContact OD2-CB 3.44Å; D14-W18 WeakPolarHBondContact O-CB 3.42Å; D14-W18 PolarHBondContact O-N 3.28Å
15P90.1Very high87.9Confident16 Ų1668 Ų6810%0.10434%0.335CS..Hα-helixtrans-59.8-33.6179.2-2435000112.3R12 W18 F19 L77R12-P15 WeakPolarHBondContact O-CD 3.29Å; P15-W18 PolarHBondContact O-N 3.49Å; P15-F19 HydrophobicContact CB-CE2 4.37Å; P15-F19 WeakPolarHBondContact O-CD2 3.38Å; P15-F19 PolarHBondContact O-N 3.06Å; P15-L77 HydrophobicContact CB-CD1 4.26Å; P15-L77 HydrophobicContact CG-CD1 4.05Å
16E91.1Very high89.6Confident128 Ų12866 Ų6660%0.59832%0.321SS*.Hα-helixtrans-66.3-48.3-179-68.4-167.8-174.500111.7D14 W18 F19 A20 I74D14-E16 PolarHBondContact O-N 3.15Å; D14-E16 PolarHBondContact OD1-N 3.25Å; E16-W18 VanDerWaalsContact C-N 3.32Å; E16-W18 PolarHBondContact O-N 3.13Å; E16-F19 PolarHBondContact O-N 3.05Å; E16-A20 PolarHBondContact O-N 3.36Å; E16-I74 HydrophobicContact CG-CD1 4.47Å; E16-I74 HydrophobicContact CG-CG2 4.38Å
17L91.1Very high90.6Very high89 Ų8960 Ų6047%0.46631%0.309SS..Hα-helixtrans-61.2-42.7173.817860.7000111.3D14 F19 A20 Q21D14-L17 HydrophobicContact CB-CB 4Å; D14-L17 PolarHBondContact O-N 2.89Å; D14-L17 WeakPolarHBondContact OD1-CB 3.45Å; D14-L17 PolarHBondContact OD1-N 3.43Å; D14-L17 VanDerWaalsContact OD2-CB 3.27Å; D14-L17 WeakPolarHBondContact OD2-CB 3.44Å; L17-F19 VanDerWaalsContact C-N 3.35Å; L17-F19 PolarHBondContact O-N 3.18Å; L17-A20 WeakPolarHBondContact O-CB 3.27Å; L17-A20 PolarHBondContact O-N 3.36Å; L17-A20 VanDerWaalsContact O-N 3.12Å; L17-Q21 WeakPolarHBondContact O-CG 3.42Å; L17-Q21 PolarHBondContact O-N 3.36Å
18W93.8Very high91.2Very high3 Ų367.9 Ų67.91%0.01134%0.337CS..Hα-helixtrans-59.6-44.8177-17881.4000112E9 F10 D11 D14 P15 E16 A20 Q21 L22 L41 I44E9-W18 VanDerWaalsContact O-CD1 3.25Å; E9-W18 PolarHBondContact O-NE1 3.05Å; F10-W18 HydrophobicContact CB-CZ2 4.12Å; F10-W18 AromaticContact CD2-CD2 3.7Å; F10-W18 HydrophobicContact CD2-CD2 3.7Å; F10-W18 AromaticContact CD2-CE2 3.83Å; F10-W18 AromaticContact CD2-CE3 3.57Å; F10-W18 HydrophobicContact CD2-CE3 3.57Å; F10-W18 HydrophobicContact CD2-CG 4.45Å; F10-W18 AromaticContact CD2-CH2 3.67Å; F10-W18 HydrophobicContact CD2-CH2 3.67Å; F10-W18 AromaticContact CD2-CZ2 3.82Å; F10-W18 HydrophobicContact CD2-CZ2 3.82Å; F10-W18 AromaticContact CD2-CZ3 3.54Å; F10-W18 HydrophobicContact CD2-CZ3 3.54Å; F10-W18 HydrophobicContact CE2-CD2 4.14Å; F10-W18 AromaticContact CE2-CE3 3.7Å; F10-W18 HydrophobicContact CE2-CE3 3.7Å; F10-W18 HydrophobicContact CE2-CH2 4.42Å; F10-W18 AromaticContact CE2-CZ3 3.85Å; F10-W18 HydrophobicContact CE2-CZ3 3.85Å; F10-W18 HydrophobicContact CG-CZ2 4.49Å; D11-W18 HydrophobicContact CB-CB 4.37Å; D11-W18 HydrophobicContact CB-CG 4.49Å; D14-W18 WeakPolarHBondContact O-CB 3.42Å; D14-W18 PolarHBondContact O-N 3.28Å; P15-W18 PolarHBondContact O-N 3.49Å; E16-W18 VanDerWaalsContact C-N 3.32Å; E16-W18 PolarHBondContact O-N 3.13Å; W18-A20 VanDerWaalsContact C-N 3.33Å; W18-A20 PolarHBondContact O-N 3.36Å; W18-Q21 PolarHBondContact O-N 2.78Å; W18-L22 HydrophobicContact CH2-CD2 3.8Å; W18-L22 HydrophobicContact CZ2-CD2 4.47Å; W18-L22 HydrophobicContact CZ3-CD2 3.86Å; W18-L22 WeakPolarHBondContact O-CB 3.42Å; W18-L22 PolarHBondContact O-N 3.45Å; W18-L41 HydrophobicContact CH2-CD1 3.67Å; W18-L41 HydrophobicContact CZ3-CD1 3.84Å; W18-I44 HydrophobicContact CH2-CD1 3.71Å; W18-I44 HydrophobicContact CH2-CG1 4.31Å; W18-I44 HydrophobicContact CZ2-CD1 3.56Å; W18-I44 HydrophobicContact CZ2-CG1 4.38Å
19F95.7Very high91.6Very high0 Ų069.8 Ų69.80%034%0.343CS..Hα-helixtrans-62.9-38.8173.8-79.8-63.7000112P15 E16 L17 Q21 L22 E23 L41 R70 M73 I74P15-F19 HydrophobicContact CB-CE2 4.37Å; P15-F19 WeakPolarHBondContact O-CD2 3.38Å; P15-F19 PolarHBondContact O-N 3.06Å; E16-F19 PolarHBondContact O-N 3.05Å; L17-F19 VanDerWaalsContact C-N 3.35Å; L17-F19 PolarHBondContact O-N 3.18Å; F19-Q21 VanDerWaalsContact C-N 3.33Å; F19-Q21 PolarHBondContact O-N 3.32Å; F19-L22 HydrophobicContact CD1-CD2 4.14Å; F19-L22 HydrophobicContact CE1-CD2 4.32Å; F19-L22 WeakPolarHBondContact O-CB 3.34Å; F19-L22 PolarHBondContact O-N 3.47Å; F19-E23 WeakPolarHBondContact O-CG 3.49Å; F19-E23 PolarHBondContact O-N 3.28Å; F19-L41 HydrophobicContact CE1-CD1 4.06Å; F19-L41 HydrophobicContact CE1-CD2 4.35Å; F19-R70 HydrophobicContact CD1-CB 4.38Å; F19-R70 HydrophobicContact CD1-CG 3.66Å; F19-R70 HydrophobicContact CD2-CG 4.08Å; F19-R70 HydrophobicContact CE1-CB 4.2Å; F19-R70 HydrophobicContact CE1-CG 3.88Å; F19-R70 HydrophobicContact CE2-CG 4.33Å; F19-R70 HydrophobicContact CG-CG 3.83Å; F19-R70 HydrophobicContact CZ-CG 4.29Å; F19-M73 HydrophobicContact CE1-CE 3.53Å; F19-M73 HydrophobicContact CE2-CE 4.21Å; F19-M73 HydrophobicContact CZ-CB 4.35Å; F19-M73 HydrophobicContact CZ-CE 3.13Å; F19-M73 HydrophobicContact CZ-SD 4.14Å; F19-I74 HydrophobicContact CD2-CD1 3.77Å; F19-I74 HydrophobicContact CD2-CG1 3.76Å; F19-I74 HydrophobicContact CE2-CD1 4.23Å; F19-I74 HydrophobicContact CE2-CG1 3.77Å
20A95.2Very high92Very high39 Ų3966.5 Ų66.532%0.32233%0.331SS..Hα-helixtrans-60.2-43.917600000111.5E16 L17 W18 L22 E23 H24E16-A20 PolarHBondContact O-N 3.36Å; L17-A20 WeakPolarHBondContact O-CB 3.27Å; L17-A20 PolarHBondContact O-N 3.36Å; L17-A20 VanDerWaalsContact O-N 3.12Å; W18-A20 VanDerWaalsContact C-N 3.33Å; W18-A20 PolarHBondContact O-N 3.36Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3Å; A20-E23 PolarHBondContact O-N 3.15Å; A20-H24 PolarHBondContact O-CD2 2.82Å; A20-H24 PolarHBondContact O-N 3Å
21Q94.6Very high92.3Very high100 Ų10066.6 Ų66.647%0.46733%0.332SS..Hα-helixtrans-62.1-41.1173.7-67.2176.6-12.800112.1L17 W18 F19 H24 Y25L17-Q21 WeakPolarHBondContact O-CG 3.42Å; L17-Q21 PolarHBondContact O-N 3.36Å; W18-Q21 PolarHBondContact O-N 2.78Å; F19-Q21 VanDerWaalsContact C-N 3.33Å; F19-Q21 PolarHBondContact O-N 3.32Å; Q21-H24 WeakPolarHBondContact O-CB 3.39Å; Q21-H24 PolarHBondContact O-N 2.82Å; Q21-Y25 PolarHBondContact O-N 3.4Å
22L95.1Very high92.6Very high0 Ų071 Ų710%035%0.348CS..Hα-helixtrans-63.7-39176.4-17664.4000112.4L7 P8 W18 F19 A20 H24 Y25 F26 L41 I44 Y66L7-L22 HydrophobicContact CD2-CD1 3.46Å; L7-L22 VanDerWaalsContact CD2-CD1 3.46Å; P8-L22 HydrophobicContact CG-CD1 4.4Å; W18-L22 HydrophobicContact CH2-CD2 3.8Å; W18-L22 HydrophobicContact CZ2-CD2 4.47Å; W18-L22 HydrophobicContact CZ3-CD2 3.86Å; W18-L22 WeakPolarHBondContact O-CB 3.42Å; W18-L22 PolarHBondContact O-N 3.45Å; F19-L22 HydrophobicContact CD1-CD2 4.14Å; F19-L22 HydrophobicContact CE1-CD2 4.32Å; F19-L22 WeakPolarHBondContact O-CB 3.34Å; F19-L22 PolarHBondContact O-N 3.47Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3Å; L22-H24 VanDerWaalsContact C-N 3.33Å; L22-H24 PolarHBondContact O-N 3.38Å; L22-Y25 WeakPolarHBondContact O-CB 3.49Å; L22-Y25 PolarHBondContact O-N 3.05Å; L22-F26 HydrophobicContact CD1-CE1 4.28Å; L22-F26 HydrophobicContact CD1-CE2 4.05Å; L22-F26 HydrophobicContact CD1-CZ 3.82Å; L22-F26 HydrophobicContact CD2-CE2 3.88Å; L22-F26 HydrophobicContact CD2-CZ 4.07Å; L22-F26 HydrophobicContact CG-CD2 4.18Å; L22-F26 HydrophobicContact CG-CE2 3.56Å; L22-F26 HydrophobicContact CG-CZ 3.84Å; L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 3.02Å; L22-L41 HydrophobicContact CD2-CD1 4.04Å; L22-I44 HydrophobicContact CD1-CD1 4.35Å; L22-Y66 HydrophobicContact CD2-CE2 4.43Å
23E95.7Very high93.1Very high35 Ų3570.6 Ų70.616%0.16436%0.356CS..Hα-helixtrans-64-38.2174.6-67.1-62.9166.900112F19 A20 Y25 F26 T27 R37 Y66 R70F19-E23 WeakPolarHBondContact O-CG 3.49Å; F19-E23 PolarHBondContact O-N 3.28Å; A20-E23 PolarHBondContact O-N 3.15Å; E23-Y25 VanDerWaalsContact C-N 3.33Å; E23-F26 PolarHBondContact O-N 3.47Å; E23-T27 WeakPolarHBondContact O-CB 3.1Å; E23-T27 PolarHBondContact O-N 3Å; E23-T27 PolarHBondContact O-OG1 3.43Å; E23-R37 IonicContact OE2-CZ 3.53Å; E23-R37 IonicContact OE2-NH1 3.86Å; E23-R37 PolarHBondContact OE2-NH1 3.36Å; E23-R37 IonicContact OE2-NH2 3.97Å; E23-Y66 VanDerWaalsContact CD-OH 3.31Å; E23-Y66 WeakPolarHBondContact OE1-CE1 3.47Å; E23-Y66 VanDerWaalsContact OE1-CZ 3.27Å; E23-Y66 PolarHBondContact OE1-OH 3.12Å; E23-R70 IonicContact OE1-CZ 2.79Å; E23-R70 IonicContact OE1-NH1 3.43Å; E23-R70 PolarHBondContact OE1-NH1 3.44Å
24H94.5Very high93.7Very high136 Ų13668.5 Ų68.563%0.6334%0.337SS*.Hα-helixtrans-64.3-38173-73.2-61.8000112A20 Q21 L22 T27 R28A20-H24 PolarHBondContact O-CD2 2.82Å; A20-H24 PolarHBondContact O-N 3Å; Q21-H24 WeakPolarHBondContact O-CB 3.39Å; Q21-H24 PolarHBondContact O-N 2.82Å; L22-H24 VanDerWaalsContact C-N 3.33Å; L22-H24 PolarHBondContact O-N 3.38Å; H24-T27 PolarHBondContact O-N 3.28Å; H24-R28 WeakPolarHBondContact O-CB 3.49Å; H24-R28 PolarHBondContact O-N 3.02Å
25Y93.6Very high94.3Very high46 Ų4666.4 Ų66.418%0.1833%0.331CS..Hα-helixtrans-59.3-52.2171.8174-86.1000111.2S5 L7 Q21 L22 E23 T27 R28 H29 I31S5-Y25 WeakPolarHBondContact O-CE2 3.25Å; L7-Y25 HydrophobicContact CD2-CD1 3.41Å; L7-Y25 VanDerWaalsContact CD2-CD1 3.41Å; L7-Y25 HydrophobicContact CD2-CD2 4.4Å; L7-Y25 HydrophobicContact CD2-CE1 3.27Å; L7-Y25 HydrophobicContact CD2-CE2 4.27Å; L7-Y25 HydrophobicContact CD2-CG 4Å; L7-Y25 HydrophobicContact CG-CD1 4.44Å; L7-Y25 HydrophobicContact CG-CE1 3.92Å; L7-Y25 HydrophobicContact CG-CE2 4.41Å; Q21-Y25 PolarHBondContact O-N 3.4Å; L22-Y25 WeakPolarHBondContact O-CB 3.49Å; L22-Y25 PolarHBondContact O-N 3.05Å; E23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-T27 VanDerWaalsContact C-N 3.27Å; Y25-T27 PolarHBondContact O-N 2.96Å; Y25-R28 PolarHBondContact O-N 2.92Å; Y25-H29 AromaticContact CD2-CD2 3.67Å; Y25-H29 AromaticContact CD2-NE2 3.9Å; Y25-H29 AromaticContact CE1-CD2 3.84Å; Y25-H29 AromaticContact CE2-CD2 3.42Å; Y25-H29 VanDerWaalsContact CE2-CD2 3.42Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.22Å; Y25-H29 AromaticContact CE2-NE2 3.44Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.23Å; Y25-H29 AromaticContact CZ-CD2 3.5Å; Y25-H29 AromaticContact CZ-NE2 3.84Å; Y25-H29 PolarHBondContact O-CD2 3.38Å; Y25-H29 VanDerWaalsContact O-CD2 3.25Å; Y25-H29 PolarHBondContact O-N 3.35Å; Y25-H29 VanDerWaalsContact O-N 3.08Å; Y25-I31 HydrophobicContact CE1-CD1 4.24Å
26F95.3Very high94.5Very high0 Ų067.7 Ų67.70%034%0.339CS..Hα-helixtrans-59-40.6178.9-67.9-40000112.3L22 E23 H29 N30 I31 R37 D40 Y66L22-F26 HydrophobicContact CD1-CE1 4.28Å; L22-F26 HydrophobicContact CD1-CE2 4.05Å; L22-F26 HydrophobicContact CD1-CZ 3.82Å; L22-F26 HydrophobicContact CD2-CE2 3.88Å; L22-F26 HydrophobicContact CD2-CZ 4.07Å; L22-F26 HydrophobicContact CG-CD2 4.18Å; L22-F26 HydrophobicContact CG-CE2 3.56Å; L22-F26 HydrophobicContact CG-CZ 3.84Å; L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 3.02Å; E23-F26 PolarHBondContact O-N 3.47Å; F26-H29 CarbonylContact O-C 3.52Å; F26-H29 PolarHBondContact O-N 3.33Å; F26-N30 PolarHBondContact O-N 2.91Å; F26-N30 VanDerWaalsContact O-N 3.07Å; F26-I31 HydrophobicContact CB-CB 4.09Å; F26-I31 HydrophobicContact CD1-CB 3.96Å; F26-I31 HydrophobicContact CD1-CD1 3.9Å; F26-I31 HydrophobicContact CD1-CG2 3.88Å; F26-I31 HydrophobicContact CE1-CD1 4.48Å; F26-I31 HydrophobicContact CE1-CG2 4.45Å; F26-I31 HydrophobicContact CG-CB 4.38Å; F26-I31 HydrophobicContact CG-CG2 4.4Å; F26-I31 PolarHBondContact O-N 2.89Å; F26-R37 HydrophobicContact CD1-CG 4.16Å; F26-R37 HydrophobicContact CD2-CB 4.36Å; F26-R37 HydrophobicContact CD2-CG 3.8Å; F26-R37 HydrophobicContact CE1-CB 4.38Å; F26-R37 HydrophobicContact CE1-CG 4.19Å; F26-R37 HydrophobicContact CE2-CB 3.88Å; F26-R37 HydrophobicContact CE2-CG 3.82Å; F26-R37 HydrophobicContact CG-CG 3.98Å; F26-R37 HydrophobicContact CZ-CB 3.89Å; F26-R37 HydrophobicContact CZ-CG 4.03Å; F26-D40 HydrophobicContact CE1-CB 3.95Å; F26-D40 HydrophobicContact CZ-CB 4.3Å; F26-Y66 HydrophobicContact CE2-CD2 4.45Å; F26-Y66 AromaticContact CE2-CE2 3.64Å; F26-Y66 HydrophobicContact CE2-CE2 3.64Å; F26-Y66 AromaticContact CE2-CZ 3.72Å; F26-Y66 HydrophobicContact CZ-CE2 4.26Å
27T95Very high94.8Very high97 Ų9763.5 Ų63.560%0.59532%0.317SS*.Hα-helixtrans-62.5-47.6177.3-590000111.4E23 H24 Y25 H29 N30E23-T27 WeakPolarHBondContact O-CB 3.1Å; E23-T27 PolarHBondContact O-N 3Å; E23-T27 PolarHBondContact O-OG1 3.43Å; H24-T27 PolarHBondContact O-N 3.28Å; Y25-T27 VanDerWaalsContact C-N 3.27Å; Y25-T27 PolarHBondContact O-N 2.96Å; T27-H29 PolarHBondContact O-N 2.85Å; T27-N30 PolarHBondContact O-N 3.5Å; T27-N30 VanDerWaalsContact O-N 3.1Å
28R93.3Very high95.1Very high201 Ų20160.3 Ų60.376%0.75830%0.299SS*.Hα-helixtrans-58.6-34.1177.4-178.7179.4179.9176.60.8112.6H24 Y25H24-R28 WeakPolarHBondContact O-CB 3.49Å; H24-R28 PolarHBondContact O-N 3.02Å; Y25-R28 PolarHBondContact O-N 2.92Å
29H92.3Very high95.2Very high74 Ų7467.3 Ų67.334%0.34333%0.325SS..THydrogen-bonded Turntrans-94.77.6-179.3-71.5-72.6000114S5 Y25 F26 T27 I31S5-H29 PolarHBondContact OG-CE1 2.92Å; S5-H29 PolarHBondContact OG-NE2 3.28Å; Y25-H29 AromaticContact CD2-CD2 3.67Å; Y25-H29 AromaticContact CD2-NE2 3.9Å; Y25-H29 AromaticContact CE1-CD2 3.84Å; Y25-H29 AromaticContact CE2-CD2 3.42Å; Y25-H29 VanDerWaalsContact CE2-CD2 3.42Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.22Å; Y25-H29 AromaticContact CE2-NE2 3.44Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.23Å; Y25-H29 AromaticContact CZ-CD2 3.5Å; Y25-H29 AromaticContact CZ-NE2 3.84Å; Y25-H29 PolarHBondContact O-CD2 3.38Å; Y25-H29 VanDerWaalsContact O-CD2 3.25Å; Y25-H29 PolarHBondContact O-N 3.35Å; Y25-H29 VanDerWaalsContact O-N 3.08Å; F26-H29 CarbonylContact O-C 3.52Å; F26-H29 PolarHBondContact O-N 3.33Å; T27-H29 PolarHBondContact O-N 2.85Å; H29-I31 HydrophobicContact CB-CD1 3.79Å; H29-I31 HydrophobicContact CB-CG1 3.94Å; H29-I31 PolarHBondContact O-N 3.01Å
30N95.2Very high95.2Very high115 Ų11569.3 Ų69.362%0.61534%0.336SS*.THydrogen-bonded Turntrans54.732-176.9-166.439.5000113.6F26 T27 K32F26-N30 PolarHBondContact O-N 2.91Å; F26-N30 VanDerWaalsContact O-N 3.07Å; T27-N30 PolarHBondContact O-N 3.5Å; T27-N30 VanDerWaalsContact O-N 3.1Å; N30-K32 PolarHBondContact O-N 3.47Å; N30-K32 WeakPolarHBondContact OD1-CE 3.29Å
31I95Very high95.2Very high28 Ų2867.4 Ų67.414%0.14432%0.321CS..  trans-85.6102.6178-61.4169.8000108.6Y25 F26 H29 V36 R37Y25-I31 HydrophobicContact CE1-CD1 4.24Å; F26-I31 HydrophobicContact CB-CB 4.09Å; F26-I31 HydrophobicContact CD1-CB 3.96Å; F26-I31 HydrophobicContact CD1-CD1 3.9Å; F26-I31 HydrophobicContact CD1-CG2 3.88Å; F26-I31 HydrophobicContact CE1-CD1 4.48Å; F26-I31 HydrophobicContact CE1-CG2 4.45Å; F26-I31 HydrophobicContact CG-CB 4.38Å; F26-I31 HydrophobicContact CG-CG2 4.4Å; F26-I31 PolarHBondContact O-N 2.89Å; H29-I31 HydrophobicContact CB-CD1 3.79Å; H29-I31 HydrophobicContact CB-CG1 3.94Å; H29-I31 PolarHBondContact O-N 3.01Å; I31-V36 HydrophobicContact CG2-CB 3.95Å; I31-V36 HydrophobicContact CG2-CG1 3.58Å; I31-R37 HydrophobicContact CG2-CG 3.69Å; I31-R37 PolarHBondContact O-NE 2.96Å; I31-R37 PolarHBondContact O-NH2 3.41Å
32K93.5Very high95.2Very high163 Ų16364.3 Ų64.371%0.70931%0.31SS*.  trans-110.2-16.8-178.7-63.2179.6178.61740114.1N30 E34N30-K32 PolarHBondContact O-N 3.47Å; N30-K32 WeakPolarHBondContact OD1-CE 3.29Å; K32-E34 PolarHBondContact O-N 3.29Å
33S95.7Very high95.1Very high63 Ų6368.5 Ų68.544%0.44134%0.339SS..  trans-76.3123.6-177.2173.60000110.9G35 V36 R37S33-G35 PolarHBondContact O-N 3.16Å; S33-G35 PolarHBondContact OG-N 3.37Å; S33-V36 PolarHBondContact O-N 2.94Å; S33-V36 VanDerWaalsContact O-N 3.08Å; S33-V36 PolarHBondContact OG-N 3.49Å; S33-R37 WeakPolarHBondContact O-CG 3.46Å; S33-R37 PolarHBondContact O-N 3.29Å
34E96.7Very high94.9Very high41 Ų4168.9 Ų68.919%0.19234%0.342CS..Hα-helixtrans-49-44.3170.4-81-69.111500111.7K32 V36 R37 Y38 Q64 P65 Y66 T67K32-E34 PolarHBondContact O-N 3.29Å; E34-V36 PolarHBondContact O-N 3.14Å; E34-R37 PolarHBondContact O-N 3.28Å; E34-Y38 WeakPolarHBondContact O-CB 3.32Å; E34-Y38 PolarHBondContact O-N 3.01Å; E34-Q64 HydrophobicContact CG-CB 4.48Å; E34-Q64 HydrophobicContact CG-CG 4.44Å; E34-Q64 VanDerWaalsContact OE2-CA 3.32Å; E34-Q64 WeakPolarHBondContact OE2-CA 3.47Å; E34-P65 HydrophobicContact CB-CG 4.36Å; E34-Y66 WeakPolarHBondContact O-CB 3.27Å; E34-Y66 WeakPolarHBondContact OE2-CB 3.37Å; E34-Y66 PolarHBondContact OE2-N 2.89Å; E34-Y66 VanDerWaalsContact OE2-N 3.16Å; E34-T67 PolarHBondContact OE1-OG1 3.38Å; E34-T67 VanDerWaalsContact OE1-OG1 3.08Å; E34-T67 PolarHBondContact OE2-N 3.35Å; E34-T67 PolarHBondContact OE2-OG1 2.89Å
35G97.1Very high94.9Very high21 Ų2163.2 Ų63.222%0.21632%0.316CS..Hα-helixtrans-66.7-35-179.700000113.6S33 R39S33-G35 PolarHBondContact O-N 3.16Å; S33-G35 PolarHBondContact OG-N 3.37Å; G35-R39 WeakPolarHBondContact O-CG 3.5Å; G35-R39 PolarHBondContact O-N 3.5Å; G35-R39 PolarHBondContact O-NH1 2.9Å
36V96.1Very high94.9Very high43 Ų4363 Ų6326%0.26132%0.321SS..Hα-helixtrans-70.4-49.7174.9179.10000109.9I31 S33 E34 Y38 R39 D40I31-V36 HydrophobicContact CG2-CB 3.95Å; I31-V36 HydrophobicContact CG2-CG1 3.58Å; S33-V36 PolarHBondContact O-N 2.94Å; S33-V36 VanDerWaalsContact O-N 3.08Å; S33-V36 PolarHBondContact OG-N 3.49Å; E34-V36 PolarHBondContact O-N 3.14Å; V36-Y38 VanDerWaalsContact C-N 3.26Å; V36-Y38 PolarHBondContact O-N 2.94Å; V36-R39 PolarHBondContact O-N 3.46Å; V36-R39 VanDerWaalsContact O-N 3.15Å; V36-D40 PolarHBondContact O-N 2.73Å
37R96.7Very high94.9Very high39 Ų3968 Ų6815%0.14735%0.353CS..Hα-helixtrans-57.4-41178.1-65179.9178.3-161.3-9112.2E23 F26 I31 S33 E34 D40 L41 Y66E23-R37 IonicContact OE2-CZ 3.53Å; E23-R37 IonicContact OE2-NH1 3.86Å; E23-R37 PolarHBondContact OE2-NH1 3.36Å; E23-R37 IonicContact OE2-NH2 3.97Å; F26-R37 HydrophobicContact CD1-CG 4.16Å; F26-R37 HydrophobicContact CD2-CB 4.36Å; F26-R37 HydrophobicContact CD2-CG 3.8Å; F26-R37 HydrophobicContact CE1-CB 4.38Å; F26-R37 HydrophobicContact CE1-CG 4.19Å; F26-R37 HydrophobicContact CE2-CB 3.88Å; F26-R37 HydrophobicContact CE2-CG 3.82Å; F26-R37 HydrophobicContact CG-CG 3.98Å; F26-R37 HydrophobicContact CZ-CB 3.89Å; F26-R37 HydrophobicContact CZ-CG 4.03Å; I31-R37 HydrophobicContact CG2-CG 3.69Å; I31-R37 PolarHBondContact O-NE 2.96Å; I31-R37 PolarHBondContact O-NH2 3.41Å; S33-R37 WeakPolarHBondContact O-CG 3.46Å; S33-R37 PolarHBondContact O-N 3.29Å; E34-R37 PolarHBondContact O-N 3.28Å; R37-D40 PolarHBondContact O-N 3.09Å; R37-L41 WeakPolarHBondContact O-CB 3.39Å; R37-L41 PolarHBondContact O-N 3.44Å; R37-Y66 HydrophobicContact CB-CD1 4Å; R37-Y66 HydrophobicContact CB-CD2 3.5Å; R37-Y66 HydrophobicContact CB-CE1 4.48Å; R37-Y66 HydrophobicContact CB-CE2 4.04Å; R37-Y66 HydrophobicContact CB-CG 3.48Å; R37-Y66 VanDerWaalsContact CB-CG 3.48Å
38Y97.4Very high94.7Very high22 Ų2266.9 Ų66.99%0.08635%0.349CS..Hα-helixtrans-61-48.4176.8171.7-99.9000111.8E34 V36 L41 C42 L56 I57 P60 P65 L69E34-Y38 WeakPolarHBondContact O-CB 3.32Å; E34-Y38 PolarHBondContact O-N 3.01Å; V36-Y38 VanDerWaalsContact C-N 3.26Å; V36-Y38 PolarHBondContact O-N 2.94Å; Y38-L41 PolarHBondContact O-N 2.93Å; Y38-C42 VanDerWaalsContact CZ-SG 3.55Å; Y38-C42 WeakPolarHBondContact O-CB 3.47Å; Y38-C42 PolarHBondContact O-N 3.26Å; Y38-C42 PolarHBondContact O-SG 3.46Å; Y38-L56 PolarHBondContact OH-O 3.08Å; Y38-I57 WeakPolarHBondContact OH-CA 3.33Å; Y38-I57 PolarHBondContact OH-O 2.79Å; Y38-P60 HydrophobicContact CE1-CB 4.01Å; Y38-P60 HydrophobicContact CE1-CG 4.12Å; Y38-P60 WeakPolarHBondContact OH-CG 3.36Å; Y38-P65 HydrophobicContact CD1-CB 4.35Å; Y38-P65 HydrophobicContact CD2-CB 3.62Å; Y38-P65 HydrophobicContact CE2-CB 4.14Å; Y38-P65 HydrophobicContact CG-CB 3.73Å; Y38-P65 HydrophobicContact CG-CG 4.26Å; Y38-L69 HydrophobicContact CD2-CB 4.33Å; Y38-L69 HydrophobicContact CD2-CD2 3.74Å; Y38-L69 HydrophobicContact CE2-CB 4.42Å; Y38-L69 HydrophobicContact CE2-CD2 3.68Å
39R96.2Very high94.6Very high150 Ų15057.4 Ų57.457%0.56631%0.313SS*.Hα-helixtrans-64.2-44.7178.6-73.7-172.2-58.5-92.22.7112G35 V36 L41 C42 S43G35-R39 WeakPolarHBondContact O-CG 3.5Å; G35-R39 PolarHBondContact O-N 3.5Å; G35-R39 PolarHBondContact O-NH1 2.9Å; V36-R39 PolarHBondContact O-N 3.46Å; V36-R39 VanDerWaalsContact O-N 3.15Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 2.93Å; R39-C42 PolarHBondContact O-N 3.41Å; R39-S43 WeakPolarHBondContact O-CB 3.38Å; R39-S43 PolarHBondContact O-N 3.35Å
40D94.6Very high94.8Very high42 Ų4255 Ų5523%0.22531%0.307CS..Hα-helixtrans-61-46.6178.7-70.8-11.5000110.4L7 F26 V36 R37 S43L7-D40 HydrophobicContact CD1-CB 4.23Å; F26-D40 HydrophobicContact CE1-CB 3.95Å; F26-D40 HydrophobicContact CZ-CB 4.3Å; V36-D40 PolarHBondContact O-N 2.73Å; R37-D40 PolarHBondContact O-N 3.09Å; D40-S43 PolarHBondContact O-N 3.26Å; D40-S43 PolarHBondContact O-OG 3.49Å
41L95.1Very high94.8Very high0 Ų057.3 Ų57.30%031%0.311CS..Hα-helixtrans-58.5-51.4175.1175.658.4000111.7W18 F19 L22 R37 Y38 R39 S43 I44 L45 Y66 L69 M73W18-L41 HydrophobicContact CH2-CD1 3.67Å; W18-L41 HydrophobicContact CZ3-CD1 3.84Å; F19-L41 HydrophobicContact CE1-CD1 4.06Å; F19-L41 HydrophobicContact CE1-CD2 4.35Å; L22-L41 HydrophobicContact CD2-CD1 4.04Å; R37-L41 WeakPolarHBondContact O-CB 3.39Å; R37-L41 PolarHBondContact O-N 3.44Å; Y38-L41 PolarHBondContact O-N 2.93Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 2.93Å; L41-S43 PolarHBondContact O-N 2.89Å; L41-I44 VanDerWaalsContact O-CG1 3.23Å; L41-I44 WeakPolarHBondContact O-CG1 3.46Å; L41-I44 PolarHBondContact O-N 2.89Å; L41-I44 VanDerWaalsContact O-N 3.15Å; L41-L45 HydrophobicContact CD1-CD2 3.85Å; L41-L45 HydrophobicContact CD1-CG 4.46Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.2Å; L41-Y66 HydrophobicContact CB-CD2 4.28Å; L41-Y66 HydrophobicContact CB-CE2 4.35Å; L41-Y66 HydrophobicContact CD2-CD2 3.7Å; L41-Y66 HydrophobicContact CD2-CE2 3.73Å; L41-L69 HydrophobicContact CD2-CB 4.45Å; L41-L69 HydrophobicContact CD2-CD2 3.63Å; L41-L69 HydrophobicContact CD2-CG 4.03Å; L41-L69 HydrophobicContact CG-CD2 4.06Å; L41-M73 HydrophobicContact CD1-CE 3.93Å; L41-M73 HydrophobicContact CD2-CE 3.38Å; L41-M73 HydrophobicContact CG-CE 4.01Å
42C95.4Very high94.7Very high34 Ų3459.1 Ų59.123%0.2332%0.319CS..Hα-helixtrans-57.7-33178.8-69.30000112.7Y38 R39 I44Y38-C42 VanDerWaalsContact CZ-SG 3.55Å; Y38-C42 WeakPolarHBondContact O-CB 3.47Å; Y38-C42 PolarHBondContact O-N 3.26Å; Y38-C42 PolarHBondContact O-SG 3.46Å; R39-C42 PolarHBondContact O-N 3.41Å; C42-I44 VanDerWaalsContact C-N 3.28Å; C42-I44 PolarHBondContact O-N 3.49Å
43S92.7Very high94.7Very high89 Ų8951.4 Ų51.462%0.62229%0.286SS*.Hα-helixtrans-71.8-19.1-177.676.70000114.5R39 D40 L41R39-S43 WeakPolarHBondContact O-CB 3.38Å; R39-S43 PolarHBondContact O-N 3.35Å; D40-S43 PolarHBondContact O-N 3.26Å; D40-S43 PolarHBondContact O-OG 3.49Å; L41-S43 PolarHBondContact O-N 2.89Å
44I92.4Very high94.8Very high42 Ų4256 Ų5622%0.21529%0.293CS..Hα-helixtrans-109.7-5.9-176.364.5176000113.7L7 W18 L22 L41 C42 P46L7-I44 HydrophobicContact CB-CD1 3.96Å; L7-I44 HydrophobicContact CB-CG2 3.83Å; L7-I44 HydrophobicContact CD1-CD1 4.25Å; L7-I44 HydrophobicContact CD1-CG2 3.48Å; L7-I44 VanDerWaalsContact CD1-CG2 3.48Å; L7-I44 HydrophobicContact CD2-CD1 4.29Å; L7-I44 HydrophobicContact CG-CD1 4.4Å; L7-I44 HydrophobicContact CG-CG2 4.26Å; W18-I44 HydrophobicContact CH2-CD1 3.71Å; W18-I44 HydrophobicContact CH2-CG1 4.31Å; W18-I44 HydrophobicContact CZ2-CD1 3.56Å; W18-I44 HydrophobicContact CZ2-CG1 4.38Å; L22-I44 HydrophobicContact CD1-CD1 4.35Å; L41-I44 VanDerWaalsContact O-CG1 3.23Å; L41-I44 WeakPolarHBondContact O-CG1 3.46Å; L41-I44 PolarHBondContact O-N 2.89Å; L41-I44 VanDerWaalsContact O-N 3.15Å; C42-I44 VanDerWaalsContact C-N 3.28Å; C42-I44 PolarHBondContact O-N 3.49Å; I44-P46 WeakPolarHBondContact O-CD 3.39Å
45L93.6Very high94.8Very high18 Ų1857.9 Ų57.99%0.09430%0.304CS..  trans-66.2127.9-179.2-67.9-176.1000111L41 V49 A50 V53 I57 M73L41-L45 HydrophobicContact CD1-CD2 3.85Å; L41-L45 HydrophobicContact CD1-CG 4.46Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.2Å; L45-V49 HydrophobicContact CD2-CG1 4.1Å; L45-A50 HydrophobicContact CB-CB 4.24Å; L45-V53 HydrophobicContact CD1-CG2 4.19Å; L45-I57 HydrophobicContact CD1-CD1 4.04Å; L45-M73 HydrophobicContact CD1-SD 3.84Å; L45-M73 HydrophobicContact CD2-SD 3.67Å; L45-M73 HydrophobicContact CG-SD 4.41Å
46P93.6Very high94.9Very high42 Ų4257.8 Ų57.827%0.27330%0.299SS..  trans-58.5147.6169.2-23.833.9000110.9F10 I44 S48 V49 A50F10-P46 HydrophobicContact CB-CG 3.78Å; F10-P46 HydrophobicContact CD1-CG 4.08Å; F10-P46 HydrophobicContact CG-CG 4.27Å; I44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-S48 PolarHBondContact O-N 3.49Å; P46-V49 HydrophobicContact CB-CG2 4.4Å; P46-V49 HydrophobicContact CG-CG2 4.38Å; P46-V49 PolarHBondContact O-N 2.98Å; P46-A50 PolarHBondContact O-N 2.95Å
47P94.6Very high94.9Very high104 Ų10458 Ų5868%0.67530%0.298SS*.Hα-helixtrans-55.4-30.9-178-28.335000114.6K51P47-K51 VanDerWaalsContact O-CG 3.27Å; P47-K51 WeakPolarHBondContact O-CG 3.45Å; P47-K51 PolarHBondContact O-N 3.33Å
48S91.1Very high95Very high73 Ų7361.4 Ų61.451%0.5132%0.319SS..Hα-helixtrans-67.4-40176.251.80000112.6P46P46-S48 PolarHBondContact O-N 3.49Å
49V92.4Very high95Very high2 Ų266.5 Ų66.51%0.01235%0.347CS..Hα-helixtrans-75.8-42.6178.6179.70000110.3F10 L45 P46 K51 E52 V53 M73 L77F10-V49 HydrophobicContact CD1-CG2 3.71Å; F10-V49 HydrophobicContact CE1-CB 4.48Å; F10-V49 HydrophobicContact CE1-CG1 4.3Å; F10-V49 HydrophobicContact CE1-CG2 3.47Å; F10-V49 VanDerWaalsContact CE1-CG2 3.47Å; F10-V49 HydrophobicContact CZ-CG1 4.31Å; F10-V49 HydrophobicContact CZ-CG2 4.27Å; L45-V49 HydrophobicContact CD2-CG1 4.1Å; P46-V49 HydrophobicContact CB-CG2 4.4Å; P46-V49 HydrophobicContact CG-CG2 4.38Å; P46-V49 PolarHBondContact O-N 2.98Å; V49-K51 PolarHBondContact O-N 2.94Å; V49-E52 WeakPolarHBondContact O-CB 3.45Å; V49-E52 PolarHBondContact O-N 3.35Å; V49-V53 PolarHBondContact O-N 3.37Å; V49-M73 HydrophobicContact CG1-SD 4.43Å; V49-L77 HydrophobicContact CG1-CD2 4.39Å; V49-L77 HydrophobicContact CG2-CD2 4.46Å
50A95.6Very high94.9Very high25 Ų2562.5 Ų62.521%0.20734%0.341CS..Hα-helixtrans-57.7-32176.500000112.6L45 P46 V53 R54 I57L45-A50 HydrophobicContact CB-CB 4.24Å; P46-A50 PolarHBondContact O-N 2.95Å; A50-V53 CarbonylContact O-C 3.52Å; A50-V53 PolarHBondContact O-N 2.8Å; A50-R54 WeakPolarHBondContact O-CA 3.38Å; A50-R54 PolarHBondContact O-N 3.12Å; A50-I57 HydrophobicContact CB-CD1 3.86Å
51K95.3Very high94.9Very high163 Ų16361.7 Ų61.771%0.70934%0.338SS*.Hα-helixtrans-65.5-37.4173.9-77.9172.3-177.7-177.60113.3P47 V49 V53 R54P47-K51 VanDerWaalsContact O-CG 3.27Å; P47-K51 WeakPolarHBondContact O-CG 3.45Å; P47-K51 PolarHBondContact O-N 3.33Å; V49-K51 PolarHBondContact O-N 2.94Å; K51-V53 PolarHBondContact O-N 3.31Å; K51-R54 WeakPolarHBondContact O-CB 3.43Å; K51-R54 PolarHBondContact O-N 3.33Å
52E92.5Very high94.9Very high66 Ų6666.9 Ų66.931%0.30837%0.374SS..Hα-helixtrans-67.5-26.3-179.9-62.6-77.8-158.600112.4R12 V49 R76 S80R12-E52 IonicContact NH2-OE1 3.21Å; V49-E52 WeakPolarHBondContact O-CB 3.45Å; V49-E52 PolarHBondContact O-N 3.35Å; E52-R76 WeakPolarHBondContact O-CD 3.49Å; E52-R76 PolarHBondContact O-NH1 2.95Å; E52-S80 PolarHBondContact OE1-OG 3.08Å
53V95Very high94.8Very high1 Ų170.4 Ų70.41%0.00640%0.396CS..THydrogen-bonded Turntrans-119.527.8179.5-69.90000112.6L45 V49 A50 K51 D55 L56 I57 L69 M73L45-V53 HydrophobicContact CD1-CG2 4.19Å; V49-V53 PolarHBondContact O-N 3.37Å; A50-V53 CarbonylContact O-C 3.52Å; A50-V53 PolarHBondContact O-N 2.8Å; K51-V53 PolarHBondContact O-N 3.31Å; V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.45Å; V53-L56 HydrophobicContact CB-CD1 4.17Å; V53-L56 HydrophobicContact CG1-CD1 4.1Å; V53-L56 PolarHBondContact O-N 3.18Å; V53-L56 VanDerWaalsContact O-N 3.08Å; V53-I57 HydrophobicContact CG2-CD1 4.12Å; V53-I57 HydrophobicContact CG2-CG1 4.45Å; V53-I57 PolarHBondContact O-N 3.31Å; V53-I57 VanDerWaalsContact O-N 3.12Å; V53-L69 HydrophobicContact CB-CD1 3.84Å; V53-L69 HydrophobicContact CG1-CD1 4.34Å; V53-L69 HydrophobicContact CG2-CD1 3.86Å; V53-M73 HydrophobicContact CB-CG 4.32Å; V53-M73 HydrophobicContact CG1-CB 4.44Å; V53-M73 HydrophobicContact CG1-CG 3.6Å; V53-M73 HydrophobicContact CG2-CG 3.94Å; V53-M73 HydrophobicContact CG2-SD 4.41Å
54R97.2Very high95Very high160 Ų16071 Ų7160%0.60439%0.389SS*.Hα-helixtrans-56.9-44.1-174.2176.9-178.4-179.2-89.6-0.1113A50 K51 L56 I57 L58A50-R54 WeakPolarHBondContact O-CA 3.38Å; A50-R54 PolarHBondContact O-N 3.12Å; K51-R54 WeakPolarHBondContact O-CB 3.43Å; K51-R54 PolarHBondContact O-N 3.33Å; R54-L56 VanDerWaalsContact C-N 3.28Å; R54-L56 PolarHBondContact O-N 2.95Å; R54-I57 PolarHBondContact O-N 3.22Å; R54-L58 HydrophobicContact CG-CD1 3.74Å; R54-L58 HydrophobicContact CG-CG 4.2Å; R54-L58 WeakPolarHBondContact O-CB 3.46Å; R54-L58 WeakPolarHBondContact O-CG 3.34Å; R54-L58 PolarHBondContact O-N 3.43Å
55D97.4Very high95.3Very high79 Ų7969.8 Ų69.842%0.42238%0.384SS..Hα-helixtrans-55.1-44.1176.553.9-48.8000111.4V53 I57 L58 D59 R76V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.45Å; D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.04Å; D55-L58 PolarHBondContact O-N 3.43Å; D55-D59 PolarHBondContact O-N 3.39Å; D55-R76 IonicContact OD1-CZ 3.7Å; D55-R76 IonicContact OD1-NH1 3.97Å; D55-R76 PolarHBondContact OD1-NH1 2.99Å; D55-R76 IonicContact OD1-NH2 3.09Å; D55-R76 IonicContact OD2-CZ 3.84Å; D55-R76 IonicContact OD2-NH1 3.65Å; D55-R76 PolarHBondContact OD2-NH1 3.48Å; D55-R76 IonicContact OD2-NH2 2.88Å; D55-R76 PolarHBondContact OD2-NH2 2.98Å
56L97.6Very high95.5Very high19 Ų1969.1 Ų69.110%0.09938%0.381CS..Hα-helixtrans-73.3-25.2-179.7-53.9175.9000113.3Y38 V53 R54 P60 P61 L69 E72Y38-L56 PolarHBondContact OH-O 3.08Å; V53-L56 HydrophobicContact CB-CD1 4.17Å; V53-L56 HydrophobicContact CG1-CD1 4.1Å; V53-L56 PolarHBondContact O-N 3.18Å; V53-L56 VanDerWaalsContact O-N 3.08Å; R54-L56 VanDerWaalsContact C-N 3.28Å; R54-L56 PolarHBondContact O-N 2.95Å; L56-P60 WeakPolarHBondContact O-CA 3.49Å; L56-P61 HydrophobicContact CD2-CG 4.38Å; L56-L69 HydrophobicContact CB-CD1 3.75Å; L56-L69 HydrophobicContact CD1-CD1 4.01Å; L56-E72 HydrophobicContact CD1-CB 3.27Å; L56-E72 HydrophobicContact CD1-CG 3.59Å
57I97.1Very high95.7Very high49 Ų4969.9 Ų69.925%0.25138%0.384SS..Hα-helixtrans-78.2-42.7175.5-66.6175.5000110.9Y38 L45 A50 V53 R54 D55Y38-I57 WeakPolarHBondContact OH-CA 3.33Å; Y38-I57 PolarHBondContact OH-O 2.79Å; L45-I57 HydrophobicContact CD1-CD1 4.04Å; A50-I57 HydrophobicContact CB-CD1 3.86Å; V53-I57 HydrophobicContact CG2-CD1 4.12Å; V53-I57 HydrophobicContact CG2-CG1 4.45Å; V53-I57 PolarHBondContact O-N 3.31Å; V53-I57 VanDerWaalsContact O-N 3.12Å; R54-I57 PolarHBondContact O-N 3.22Å; D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.04Å
58L97.7Very high95.8Very high110 Ų11066.5 Ų66.558%0.57636%0.361SS*.Hα-helixtrans-78.4-32-177.5-67.7-179.7000113R54 D55R54-L58 HydrophobicContact CG-CD1 3.74Å; R54-L58 HydrophobicContact CG-CG 4.2Å; R54-L58 WeakPolarHBondContact O-CB 3.46Å; R54-L58 WeakPolarHBondContact O-CG 3.34Å; R54-L58 PolarHBondContact O-N 3.43Å; D55-L58 PolarHBondContact O-N 3.43Å
59D97.1Very high96.1Very high128 Ų12863 Ų6368%0.68434%0.336SS*.SBendtrans-122.886173.5-171.929.1000109.3D55 P61D55-D59 PolarHBondContact O-N 3.39Å; D59-P61 WeakPolarHBondContact O-CD 3.21Å
60P95.9Very high96.3Very high66 Ų6666.7 Ų66.743%0.42935%0.35SS..  trans-59.5123.4-174.6-23.833.1000112Y38 L56Y38-P60 HydrophobicContact CE1-CB 4.01Å; Y38-P60 HydrophobicContact CE1-CG 4.12Å; Y38-P60 WeakPolarHBondContact OH-CG 3.36Å; L56-P60 WeakPolarHBondContact O-CA 3.49Å
61P94.6Very high96.4Very high26 Ų2672 Ų7217%0.16937%0.365CS..  trans-71.5144.4-175.723.6-27.7000111.9L56 D59 P65 I68L56-P61 HydrophobicContact CD2-CG 4.38Å; D59-P61 WeakPolarHBondContact O-CD 3.21Å; P61-P65 WeakPolarHBondContact O-CA 3.47Å; P61-P65 WeakPolarHBondContact O-CB 3.34Å; P61-P65 WeakPolarHBondContact O-CD 3.26Å; P61-I68 HydrophobicContact CB-CB 4.2Å; P61-I68 HydrophobicContact CB-CD1 3.78Å; P61-I68 HydrophobicContact CB-CG2 3.9Å; P61-I68 HydrophobicContact CG-CB 3.8Å; P61-I68 HydrophobicContact CG-CD1 4.29Å; P61-I68 HydrophobicContact CG-CG2 3.59Å
62S94.1Very high96.4Very high108 Ų10866.4 Ų66.476%0.75534%0.341SS*.SBendtrans-116145.6-178.8-178.30000110.9
63P94.4Very high96.5Very high108 Ų10863.3 Ų63.370%0.70133%0.327SS*.SBendcis-91.9-4.72.134-32.5000114.9P65P63-P65 WeakPolarHBondContact O-CD 3.37Å
64Q96.6Very high96.4Very high102 Ų10264.6 Ų64.648%0.47733%0.333SS..  trans-117.269.7-171.9-66.4178-31.500111.7E34 Y66 T67 I68E34-Q64 HydrophobicContact CG-CB 4.48Å; E34-Q64 HydrophobicContact CG-CG 4.44Å; E34-Q64 VanDerWaalsContact OE2-CA 3.32Å; E34-Q64 WeakPolarHBondContact OE2-CA 3.47Å; Q64-Y66 VanDerWaalsContact C-N 3.32Å; Q64-Y66 PolarHBondContact O-N 2.68Å; Q64-T67 PolarHBondContact O-N 3.46Å; Q64-I68 WeakPolarHBondContact O-CB 3.33Å; Q64-I68 VanDerWaalsContact O-CG1 3.31Å; Q64-I68 WeakPolarHBondContact O-CG1 3.2Å; Q64-I68 PolarHBondContact O-N 2.89Å
65P97.4Very high96.1Very high17 Ų1760.5 Ų60.511%0.1132%0.323CS..Hα-helixtrans-60-39.9-172.321.9-34.2000113.1E34 Y38 P61 P63 L69E34-P65 HydrophobicContact CB-CG 4.36Å; Y38-P65 HydrophobicContact CD1-CB 4.35Å; Y38-P65 HydrophobicContact CD2-CB 3.62Å; Y38-P65 HydrophobicContact CE2-CB 4.14Å; Y38-P65 HydrophobicContact CG-CB 3.73Å; Y38-P65 HydrophobicContact CG-CG 4.26Å; P61-P65 WeakPolarHBondContact O-CA 3.47Å; P61-P65 WeakPolarHBondContact O-CB 3.34Å; P61-P65 WeakPolarHBondContact O-CD 3.26Å; P63-P65 WeakPolarHBondContact O-CD 3.37Å; P65-L69 WeakPolarHBondContact O-CB 3.25Å; P65-L69 PolarHBondContact O-N 3.16Å
66Y97.8Very high95.9Very high3 Ų359.6 Ų59.61%0.01231%0.314CS..Hα-helixtrans-70.4-48-179.8168.4-99.6000111.4L22 E23 F26 E34 R37 L41 Q64 I68 L69 R70L22-Y66 HydrophobicContact CD2-CE2 4.43Å; E23-Y66 VanDerWaalsContact CD-OH 3.31Å; E23-Y66 WeakPolarHBondContact OE1-CE1 3.47Å; E23-Y66 VanDerWaalsContact OE1-CZ 3.27Å; E23-Y66 PolarHBondContact OE1-OH 3.12Å; F26-Y66 HydrophobicContact CE2-CD2 4.45Å; F26-Y66 AromaticContact CE2-CE2 3.64Å; F26-Y66 HydrophobicContact CE2-CE2 3.64Å; F26-Y66 AromaticContact CE2-CZ 3.72Å; F26-Y66 HydrophobicContact CZ-CE2 4.26Å; E34-Y66 WeakPolarHBondContact O-CB 3.27Å; E34-Y66 WeakPolarHBondContact OE2-CB 3.37Å; E34-Y66 PolarHBondContact OE2-N 2.89Å; E34-Y66 VanDerWaalsContact OE2-N 3.16Å; R37-Y66 HydrophobicContact CB-CD1 4Å; R37-Y66 HydrophobicContact CB-CD2 3.5Å; R37-Y66 HydrophobicContact CB-CE1 4.48Å; R37-Y66 HydrophobicContact CB-CE2 4.04Å; R37-Y66 HydrophobicContact CB-CG 3.48Å; R37-Y66 VanDerWaalsContact CB-CG 3.48Å; L41-Y66 HydrophobicContact CB-CD2 4.28Å; L41-Y66 HydrophobicContact CB-CE2 4.35Å; L41-Y66 HydrophobicContact CD2-CD2 3.7Å; L41-Y66 HydrophobicContact CD2-CE2 3.73Å; Q64-Y66 VanDerWaalsContact C-N 3.32Å; Q64-Y66 PolarHBondContact O-N 2.68Å; Y66-I68 VanDerWaalsContact C-N 3.31Å; Y66-I68 PolarHBondContact O-N 2.82Å; Y66-L69 PolarHBondContact O-N 3.06Å; Y66-R70 VanDerWaalsContact O-CB 3.32Å; Y66-R70 WeakPolarHBondContact O-CB 3.47Å; Y66-R70 PolarHBondContact O-N 2.83Å
67T97.6Very high95.4Very high58 Ų5858.7 Ų58.736%0.35631%0.309SS..Hα-helixtrans-60.3-43.7-179.3-60.30000111.3E34 Q64 R71E34-T67 PolarHBondContact OE1-OG1 3.38Å; E34-T67 VanDerWaalsContact OE1-OG1 3.08Å; E34-T67 PolarHBondContact OE2-N 3.35Å; E34-T67 PolarHBondContact OE2-OG1 2.89Å; Q64-T67 PolarHBondContact O-N 3.46Å; T67-R71 WeakPolarHBondContact O-CB 3.27Å; T67-R71 PolarHBondContact O-N 2.98Å; T67-R71 VanDerWaalsContact O-N 3.09Å
68I97.9Very high94.8Very high34 Ų3458 Ų5817%0.17431%0.308CS..Hα-helixtrans-67.6-46.6178.4-66.1167.3000110.4P61 Q64 Y66 R70 R71 E72P61-I68 HydrophobicContact CB-CB 4.2Å; P61-I68 HydrophobicContact CB-CD1 3.78Å; P61-I68 HydrophobicContact CB-CG2 3.9Å; P61-I68 HydrophobicContact CG-CB 3.8Å; P61-I68 HydrophobicContact CG-CD1 4.29Å; P61-I68 HydrophobicContact CG-CG2 3.59Å; Q64-I68 WeakPolarHBondContact O-CB 3.33Å; Q64-I68 VanDerWaalsContact O-CG1 3.31Å; Q64-I68 WeakPolarHBondContact O-CG1 3.2Å; Q64-I68 PolarHBondContact O-N 2.89Å; Y66-I68 VanDerWaalsContact C-N 3.31Å; Y66-I68 PolarHBondContact O-N 2.82Å; I68-R70 PolarHBondContact O-N 3.39Å; I68-R71 PolarHBondContact O-N 2.84Å; I68-E72 HydrophobicContact CG2-CG 4.29Å; I68-E72 WeakPolarHBondContact O-CB 3.37Å; I68-E72 WeakPolarHBondContact O-CG 3.43Å; I68-E72 PolarHBondContact O-N 2.96Å
69L97.7Very high94.2Very high0 Ų057.8 Ų57.80%031%0.307CS..Hα-helixtrans-59.9-45.5178.2-175.563.2000111.4Y38 L41 V53 L56 P65 Y66 R71 E72 M73Y38-L69 HydrophobicContact CD2-CB 4.33Å; Y38-L69 HydrophobicContact CD2-CD2 3.74Å; Y38-L69 HydrophobicContact CE2-CB 4.42Å; Y38-L69 HydrophobicContact CE2-CD2 3.68Å; L41-L69 HydrophobicContact CD2-CB 4.45Å; L41-L69 HydrophobicContact CD2-CD2 3.63Å; L41-L69 HydrophobicContact CD2-CG 4.03Å; L41-L69 HydrophobicContact CG-CD2 4.06Å; V53-L69 HydrophobicContact CB-CD1 3.84Å; V53-L69 HydrophobicContact CG1-CD1 4.34Å; V53-L69 HydrophobicContact CG2-CD1 3.86Å; L56-L69 HydrophobicContact CB-CD1 3.75Å; L56-L69 HydrophobicContact CD1-CD1 4.01Å; P65-L69 WeakPolarHBondContact O-CB 3.25Å; P65-L69 PolarHBondContact O-N 3.16Å; Y66-L69 PolarHBondContact O-N 3.06Å; L69-R71 PolarHBondContact O-N 3.21Å; L69-E72 PolarHBondContact O-N 3.43Å; L69-M73 HydrophobicContact CD1-CG 4.38Å; L69-M73 HydrophobicContact CG-CE 3.94Å; L69-M73 HydrophobicContact CG-SD 4.3Å; L69-M73 WeakPolarHBondContact O-CB 3.03Å; L69-M73 WeakPolarHBondContact O-CE 3.3Å; L69-M73 VanDerWaalsContact O-CG 3.28Å; L69-M73 WeakPolarHBondContact O-CG 3.18Å; L69-M73 PolarHBondContact O-N 3.4Å
70R96.6Very high93.6Very high79 Ų7953 Ų5330%0.29828%0.284SS..Hα-helixtrans-55-52.9175.6174.4175.6172.1-163-6.1111.6F19 E23 Y66 I68 E72 M73 I74F19-R70 HydrophobicContact CD1-CB 4.38Å; F19-R70 HydrophobicContact CD1-CG 3.66Å; F19-R70 HydrophobicContact CD2-CG 4.08Å; F19-R70 HydrophobicContact CE1-CB 4.2Å; F19-R70 HydrophobicContact CE1-CG 3.88Å; F19-R70 HydrophobicContact CE2-CG 4.33Å; F19-R70 HydrophobicContact CG-CG 3.83Å; F19-R70 HydrophobicContact CZ-CG 4.29Å; E23-R70 IonicContact OE1-CZ 2.79Å; E23-R70 IonicContact OE1-NH1 3.43Å; E23-R70 PolarHBondContact OE1-NH1 3.44Å; Y66-R70 VanDerWaalsContact O-CB 3.32Å; Y66-R70 WeakPolarHBondContact O-CB 3.47Å; Y66-R70 PolarHBondContact O-N 2.83Å; I68-R70 PolarHBondContact O-N 3.39Å; R70-E72 PolarHBondContact O-N 3.05Å; R70-M73 PolarHBondContact O-N 3.3Å; R70-I74 HydrophobicContact CG-CD1 4.19Å; R70-I74 WeakPolarHBondContact O-CG1 3.17Å; R70-I74 PolarHBondContact O-N 3.43Å; R70-I74 VanDerWaalsContact O-N 3.13Å
71R96Very high92.9Very high137 Ų13750.6 Ų50.652%0.51727%0.268SS..Hα-helixtrans-59.5-47.9-179.6-178.7-179.168.2-161.2-2111.5T67 I68 L69 I74 N75T67-R71 WeakPolarHBondContact O-CB 3.27Å; T67-R71 PolarHBondContact O-N 2.98Å; T67-R71 VanDerWaalsContact O-N 3.09Å; I68-R71 PolarHBondContact O-N 2.84Å; L69-R71 PolarHBondContact O-N 3.21Å; R71-I74 PolarHBondContact O-N 3.32Å; R71-N75 VanDerWaalsContact O-CG 3.27Å; R71-N75 PolarHBondContact O-N 3.16Å; R71-N75 PolarHBondContact O-ND2 3.45Å
72E96Very high92.3Very high45 Ų4550.7 Ų50.721%0.2127%0.269CS..Hα-helixtrans-68.1-35.3-177.9-72.5-61.3125.600112.7L56 I68 L69 R70 N75 R76L56-E72 HydrophobicContact CD1-CB 3.27Å; L56-E72 HydrophobicContact CD1-CG 3.59Å; I68-E72 HydrophobicContact CG2-CG 4.29Å; I68-E72 WeakPolarHBondContact O-CB 3.37Å; I68-E72 WeakPolarHBondContact O-CG 3.43Å; I68-E72 PolarHBondContact O-N 2.96Å; L69-E72 PolarHBondContact O-N 3.43Å; R70-E72 PolarHBondContact O-N 3.05Å; E72-N75 PolarHBondContact O-N 3.05Å; E72-R76 VanDerWaalsContact O-CB 3.25Å; E72-R76 WeakPolarHBondContact O-CB 3.34Å; E72-R76 WeakPolarHBondContact O-CG 3.42Å; E72-R76 PolarHBondContact O-N 3.47Å; E72-R76 IonicContact OE2-CZ 3.83Å; E72-R76 IonicContact OE2-NE 3.57Å; E72-R76 PolarHBondContact OE2-NE 3.47Å; E72-R76 IonicContact OE2-NH2 3.42Å
73M94.9Very high91.8Very high1 Ų150 Ų501%0.00525%0.254CS..Hα-helixtrans-61.5-49.2171.7-74.3-177.5-62.600111.1F19 L41 L45 V49 V53 L69 R70 N75 R76 L77F19-M73 HydrophobicContact CE1-CE 3.53Å; F19-M73 HydrophobicContact CE2-CE 4.21Å; F19-M73 HydrophobicContact CZ-CB 4.35Å; F19-M73 HydrophobicContact CZ-CE 3.13Å; F19-M73 HydrophobicContact CZ-SD 4.14Å; L41-M73 HydrophobicContact CD1-CE 3.93Å; L41-M73 HydrophobicContact CD2-CE 3.38Å; L41-M73 HydrophobicContact CG-CE 4.01Å; L45-M73 HydrophobicContact CD1-SD 3.84Å; L45-M73 HydrophobicContact CD2-SD 3.67Å; L45-M73 HydrophobicContact CG-SD 4.41Å; V49-M73 HydrophobicContact CG1-SD 4.43Å; V53-M73 HydrophobicContact CB-CG 4.32Å; V53-M73 HydrophobicContact CG1-CB 4.44Å; V53-M73 HydrophobicContact CG1-CG 3.6Å; V53-M73 HydrophobicContact CG2-CG 3.94Å; V53-M73 HydrophobicContact CG2-SD 4.41Å; L69-M73 HydrophobicContact CD1-CG 4.38Å; L69-M73 HydrophobicContact CG-CE 3.94Å; L69-M73 HydrophobicContact CG-SD 4.3Å; L69-M73 WeakPolarHBondContact O-CB 3.03Å; L69-M73 WeakPolarHBondContact O-CE 3.3Å; L69-M73 VanDerWaalsContact O-CG 3.28Å; L69-M73 WeakPolarHBondContact O-CG 3.18Å; L69-M73 PolarHBondContact O-N 3.4Å; R70-M73 PolarHBondContact O-N 3.3Å; M73-N75 VanDerWaalsContact C-N 3.31Å; M73-N75 PolarHBondContact O-N 3.23Å; M73-R76 PolarHBondContact O-N 3.18Å; M73-L77 HydrophobicContact CB-CD1 4.36Å; M73-L77 WeakPolarHBondContact O-CB 3.48Å; M73-L77 WeakPolarHBondContact O-CD1 3.38Å; M73-L77 WeakPolarHBondContact O-CG 3.48Å; M73-L77 PolarHBondContact O-N 2.83Å
74I92.4Very high91.3Very high27 Ų2750.2 Ų50.214%0.13824%0.241CC..Hα-helixtrans-57-48.9177.9-65.8167.1000109.9E16 F19 R70 R71 S78E16-I74 HydrophobicContact CG-CD1 4.47Å; E16-I74 HydrophobicContact CG-CG2 4.38Å; F19-I74 HydrophobicContact CD2-CD1 3.77Å; F19-I74 HydrophobicContact CD2-CG1 3.76Å; F19-I74 HydrophobicContact CE2-CD1 4.23Å; F19-I74 HydrophobicContact CE2-CG1 3.77Å; R70-I74 HydrophobicContact CG-CD1 4.19Å; R70-I74 WeakPolarHBondContact O-CG1 3.17Å; R70-I74 PolarHBondContact O-N 3.43Å; R70-I74 VanDerWaalsContact O-N 3.13Å; R71-I74 PolarHBondContact O-N 3.32Å; I74-S78 VanDerWaalsContact O-CB 3.3Å; I74-S78 WeakPolarHBondContact O-CB 3.28Å; I74-S78 PolarHBondContact O-N 2.68Å; I74-S78 PolarHBondContact O-OG 3.44Å
75N91.7Very high90.6Very high74 Ų7445.4 Ų45.440%0.39622%0.218SC..Hα-helixtrans-61-51-179.7-70.5-17.2000112.6R71 E72 M73 S78 L79R71-N75 VanDerWaalsContact O-CG 3.27Å; R71-N75 PolarHBondContact O-N 3.16Å; R71-N75 PolarHBondContact O-ND2 3.45Å; E72-N75 PolarHBondContact O-N 3.05Å; M73-N75 VanDerWaalsContact C-N 3.31Å; M73-N75 PolarHBondContact O-N 3.23Å; N75-S78 PolarHBondContact O-N 3.39Å; N75-L79 WeakPolarHBondContact O-CB 3.44Å; N75-L79 VanDerWaalsContact O-CG 3.26Å; N75-L79 WeakPolarHBondContact O-CG 3.32Å; N75-L79 PolarHBondContact O-N 2.83Å
76R92.5Very high89.9Confident60 Ų6048.4 Ų48.423%0.22623%0.23CC..Hα-helixtrans-71.8-35.3-174.4-66.4178.8-168.7-159.93.5112.3E52 D55 E72 M73 L79 S80E52-R76 WeakPolarHBondContact O-CD 3.49Å; E52-R76 PolarHBondContact O-NH1 2.95Å; D55-R76 IonicContact OD1-CZ 3.7Å; D55-R76 IonicContact OD1-NH1 3.97Å; D55-R76 PolarHBondContact OD1-NH1 2.99Å; D55-R76 IonicContact OD1-NH2 3.09Å; D55-R76 IonicContact OD2-CZ 3.84Å; D55-R76 IonicContact OD2-NH1 3.65Å; D55-R76 PolarHBondContact OD2-NH1 3.48Å; D55-R76 IonicContact OD2-NH2 2.88Å; D55-R76 PolarHBondContact OD2-NH2 2.98Å; E72-R76 VanDerWaalsContact O-CB 3.25Å; E72-R76 WeakPolarHBondContact O-CB 3.34Å; E72-R76 WeakPolarHBondContact O-CG 3.42Å; E72-R76 PolarHBondContact O-N 3.47Å; E72-R76 IonicContact OE2-CZ 3.83Å; E72-R76 IonicContact OE2-NE 3.57Å; E72-R76 PolarHBondContact OE2-NE 3.47Å; E72-R76 IonicContact OE2-NH2 3.42Å; M73-R76 PolarHBondContact O-N 3.18Å; R76-L79 PolarHBondContact O-N 2.94Å; R76-S80 WeakPolarHBondContact O-CB 3.39Å; R76-S80 PolarHBondContact O-N 3.49Å
77L87.8Confident89.2Confident1 Ų155.6 Ų55.61%0.00526%0.258CS..Hα-helixtrans-64.1-48.3173.5-67171.7000110.5F10 P15 V49 M73 L79 S80 D81F10-L77 HydrophobicContact CE1-CD1 4.32Å; F10-L77 HydrophobicContact CE2-CD1 4.49Å; F10-L77 HydrophobicContact CZ-CD1 3.58Å; P15-L77 HydrophobicContact CB-CD1 4.26Å; P15-L77 HydrophobicContact CG-CD1 4.05Å; V49-L77 HydrophobicContact CG1-CD2 4.39Å; V49-L77 HydrophobicContact CG2-CD2 4.46Å; M73-L77 HydrophobicContact CB-CD1 4.36Å; M73-L77 WeakPolarHBondContact O-CB 3.48Å; M73-L77 WeakPolarHBondContact O-CD1 3.38Å; M73-L77 WeakPolarHBondContact O-CG 3.48Å; M73-L77 PolarHBondContact O-N 2.83Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.02Å; L77-S80 PolarHBondContact O-N 3.31Å; L77-D81 WeakPolarHBondContact O-CB 3.18Å; L77-D81 PolarHBondContact O-N 2.99Å
78S85Confident88.6Confident34 Ų3456 Ų5624%0.23826%0.258CS..Hα-helixtrans-59.8-40.5176.7-66.30000113.1I74 N75 S82I74-S78 VanDerWaalsContact O-CB 3.3Å; I74-S78 WeakPolarHBondContact O-CB 3.28Å; I74-S78 PolarHBondContact O-N 2.68Å; I74-S78 PolarHBondContact O-OG 3.44Å; N75-S78 PolarHBondContact O-N 3.39Å; S78-S82 WeakPolarHBondContact O-CB 3.37Å; S78-S82 PolarHBondContact O-N 2.94Å; S78-S82 PolarHBondContact O-OG 3.49Å
79L84.4Confident88Confident105 Ų10555.3 Ų55.355%0.5525%0.253SS..Hα-helixtrans-66.6-44.7174.8-73.1171.5000112.1N75 R76 L77 D81 S82 Q83N75-L79 WeakPolarHBondContact O-CB 3.44Å; N75-L79 VanDerWaalsContact O-CG 3.26Å; N75-L79 WeakPolarHBondContact O-CG 3.32Å; N75-L79 PolarHBondContact O-N 2.83Å; R76-L79 PolarHBondContact O-N 2.94Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.02Å; L79-D81 VanDerWaalsContact C-N 3.3Å; L79-D81 PolarHBondContact O-N 3.32Å; L79-S82 PolarHBondContact O-N 2.88Å; L79-Q83 WeakPolarHBondContact O-CB 3.14Å; L79-Q83 WeakPolarHBondContact O-CG 3.43Å; L79-Q83 PolarHBondContact O-N 3.41Å
80S83.7Confident87.3Confident29 Ų2961.7 Ų61.720%0.20328%0.283CS..Hα-helixtrans-61.2-40.6178.2-171.10000110.9E52 R76 L77 Q83 R84E52-S80 PolarHBondContact OE1-OG 3.08Å; R76-S80 WeakPolarHBondContact O-CB 3.39Å; R76-S80 PolarHBondContact O-N 3.49Å; L77-S80 PolarHBondContact O-N 3.31Å; S80-Q83 PolarHBondContact O-N 3.09Å; S80-R84 WeakPolarHBondContact O-CB 3.22Å; S80-R84 PolarHBondContact O-N 3.28Å
81D82.4Confident86.6Confident15 Ų1561.5 Ų61.58%0.0831%0.305CS..Hα-helixtrans-68.8-40.5175.1-83.4-45.5000113R12 L77 L79 Q83 R84 I85R12-D81 IonicContact NE-OD2 3.36Å; L77-D81 WeakPolarHBondContact O-CB 3.18Å; L77-D81 PolarHBondContact O-N 2.99Å; L79-D81 VanDerWaalsContact C-N 3.3Å; L79-D81 PolarHBondContact O-N 3.32Å; D81-Q83 PolarHBondContact O-N 3.3Å; D81-R84 WeakPolarHBondContact O-CB 3.31Å; D81-R84 PolarHBondContact O-N 3Å; D81-R84 IonicContact OD1-CZ 2.82Å; D81-R84 IonicContact OD1-NE 3.55Å; D81-R84 PolarHBondContact OD1-NE 3.39Å; D81-R84 VanDerWaalsContact OD1-NE 3.09Å; D81-R84 IonicContact OD1-NH2 3.02Å; D81-R84 PolarHBondContact OD1-NH2 3.13Å; D81-I85 WeakPolarHBondContact O-CG1 3.47Å; D81-I85 PolarHBondContact O-N 3.17Å
82S80.9Confident86.1Confident28 Ų2857.7 Ų57.720%0.19629%0.293CS..Hα-helixtrans-61.2-44.5173.8-62.40000111.8S78 L79 I85 Q86S78-S82 WeakPolarHBondContact O-CB 3.37Å; S78-S82 PolarHBondContact O-N 2.94Å; S78-S82 PolarHBondContact O-OG 3.49Å; L79-S82 PolarHBondContact O-N 2.88Å; S82-I85 PolarHBondContact O-N 3.15Å; S82-Q86 WeakPolarHBondContact O-CB 3.45Å; S82-Q86 PolarHBondContact O-N 3.39Å
83Q84.1Confident85.5Confident94 Ų9460 Ų6044%0.43931%0.31SS..Hα-helixtrans-64.4-40.2175.5-72.8176.42.700112.2L79 S80 D81 Q86 R87L79-Q83 WeakPolarHBondContact O-CB 3.14Å; L79-Q83 WeakPolarHBondContact O-CG 3.43Å; L79-Q83 PolarHBondContact O-N 3.41Å; S80-Q83 PolarHBondContact O-N 3.09Å; D81-Q83 PolarHBondContact O-N 3.3Å; Q83-Q86 PolarHBondContact O-N 3.17Å; Q83-R87 WeakPolarHBondContact O-CG 3.48Å; Q83-R87 PolarHBondContact O-N 2.91Å
84R83.2Confident85.1Confident112 Ų11260.8 Ų60.842%0.42332%0.315SS..Hα-helixtrans-61.1-45.7175.918017862.382.6-3.8111S80 D81 R87 L88 N113S80-R84 WeakPolarHBondContact O-CB 3.22Å; S80-R84 PolarHBondContact O-N 3.28Å; D81-R84 WeakPolarHBondContact O-CB 3.31Å; D81-R84 PolarHBondContact O-N 3Å; D81-R84 IonicContact OD1-CZ 2.82Å; D81-R84 IonicContact OD1-NE 3.55Å; D81-R84 PolarHBondContact OD1-NE 3.39Å; D81-R84 VanDerWaalsContact OD1-NE 3.09Å; D81-R84 IonicContact OD1-NH2 3.02Å; D81-R84 PolarHBondContact OD1-NH2 3.13Å; R84-R87 PolarHBondContact O-N 3.46Å; R84-L88 PolarHBondContact O-N 2.88Å; R84-N113 PolarHBondContact NH2-ND2 2.96Å; R84-N113 VanDerWaalsContact NH2-ND2 3.16Å
85I81.8Confident84.7Confident0 Ų062.3 Ų62.30%034%0.337CS..Hα-helixtrans-64.3-44.1175.4-68.8169.1000110.6D81 S82 R87 L88 F89 M110 N113 G116 V119D81-I85 WeakPolarHBondContact O-CG1 3.47Å; D81-I85 PolarHBondContact O-N 3.17Å; S82-I85 PolarHBondContact O-N 3.15Å; I85-R87 VanDerWaalsContact C-N 3.3Å; I85-R87 PolarHBondContact O-N 3.33Å; I85-L88 WeakPolarHBondContact O-CA 3.47Å; I85-L88 VanDerWaalsContact O-CB 3.29Å; I85-L88 WeakPolarHBondContact O-CB 3.23Å; I85-L88 PolarHBondContact O-N 3.32Å; I85-F89 HydrophobicContact CG2-CD2 3.89Å; I85-F89 HydrophobicContact CG2-CE1 4.18Å; I85-F89 HydrophobicContact CG2-CE2 3.36Å; I85-F89 HydrophobicContact CG2-CZ 3.56Å; I85-F89 WeakPolarHBondContact O-CG 3.41Å; I85-F89 PolarHBondContact O-N 3.4Å; I85-M110 HydrophobicContact CD1-CG 4.29Å; I85-M110 HydrophobicContact CD1-SD 4.18Å; I85-M110 HydrophobicContact CG1-CG 4.36Å; I85-M110 HydrophobicContact CG2-CG 3.84Å; I85-M110 HydrophobicContact CG2-SD 3.87Å; I85-N113 HydrophobicContact CD1-CB 4.24Å; I85-N113 VanDerWaalsContact CD1-ND2 3.27Å; I85-N113 WeakPolarHBondContact CD1-ND2 3.45Å; I85-G116 VanDerWaalsContact CD1-CA 3.44Å; I85-V119 HydrophobicContact CB-CG1 4.1Å; I85-V119 HydrophobicContact CG2-CB 4.05Å; I85-V119 HydrophobicContact CG2-CG1 3.59Å
86Q83Confident84.5Confident80 Ų8067.3 Ų67.337%0.37436%0.364SS..Hα-helixtrans-58.8-44.2178.4-170.8-175.817.100111.2S82 Q83 L88 F89 Q90 V119S82-Q86 WeakPolarHBondContact O-CB 3.45Å; S82-Q86 PolarHBondContact O-N 3.39Å; Q83-Q86 PolarHBondContact O-N 3.17Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.45Å; Q86-F89 PolarHBondContact O-N 2.99Å; Q86-Q90 WeakPolarHBondContact O-CG 3.17Å; Q86-Q90 PolarHBondContact O-N 2.92Å; Q86-V119 HydrophobicContact CB-CG1 4.14Å
87R84.5Confident84.2Confident154 Ų15469.5 Ų69.558%0.58137%0.372SS*.Hα-helixtrans-62.1-37.7173.5-71.7-177.9-160.7127.76.9112.4Q83 R84 I85 F89 Q90Q83-R87 WeakPolarHBondContact O-CG 3.48Å; Q83-R87 PolarHBondContact O-N 2.91Å; R84-R87 PolarHBondContact O-N 3.46Å; I85-R87 VanDerWaalsContact C-N 3.3Å; I85-R87 PolarHBondContact O-N 3.33Å; R87-F89 PolarHBondContact O-N 3.16Å; R87-Q90 WeakPolarHBondContact O-CB 3.22Å; R87-Q90 PolarHBondContact O-N 3.4Å; R87-Q90 VanDerWaalsContact O-N 3.13Å
88L84.6Confident84.3Confident68 Ų6871.9 Ų71.936%0.35639%0.389SS..Hα-helixtrans-62.8-31.8176.1-173.460.9000112.2R84 I85 Q86 L109R84-L88 PolarHBondContact O-N 2.88Å; I85-L88 WeakPolarHBondContact O-CA 3.47Å; I85-L88 VanDerWaalsContact O-CB 3.29Å; I85-L88 WeakPolarHBondContact O-CB 3.23Å; I85-L88 PolarHBondContact O-N 3.32Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 3.45Å; L88-L109 HydrophobicContact CD1-CD2 4.34Å; L88-L109 HydrophobicContact CD2-CB 3.68Å; L88-L109 WeakPolarHBondContact CD2-O 3.39Å; L88-L109 HydrophobicContact CG-CB 4.13Å; L88-L109 HydrophobicContact CG-CD1 4.42Å; L88-L109 HydrophobicContact CG-CD2 4.49Å
89F84Confident84.3Confident18 Ų1873.2 Ų73.28%0.07940%0.397CS..Hα-helixtrans-86.3-10.9175.7-60.1-18.6000113.7I85 Q86 R87 G91 E92 L106 L109 M110 V119 L120I85-F89 HydrophobicContact CG2-CD2 3.89Å; I85-F89 HydrophobicContact CG2-CE1 4.18Å; I85-F89 HydrophobicContact CG2-CE2 3.36Å; I85-F89 HydrophobicContact CG2-CZ 3.56Å; I85-F89 WeakPolarHBondContact O-CG 3.41Å; I85-F89 PolarHBondContact O-N 3.4Å; Q86-F89 PolarHBondContact O-N 2.99Å; R87-F89 PolarHBondContact O-N 3.16Å; F89-G91 PolarHBondContact O-N 3.4Å; F89-E92 PolarHBondContact O-N 3.49Å; F89-L106 HydrophobicContact CD1-CD2 3.54Å; F89-L106 HydrophobicContact CE1-CB 3.92Å; F89-L106 HydrophobicContact CE1-CD2 3.58Å; F89-L106 HydrophobicContact CE1-CG 4.27Å; F89-L106 HydrophobicContact CG-CD2 4.08Å; F89-L106 HydrophobicContact CZ-CB 3.94Å; F89-L106 HydrophobicContact CZ-CD2 4.16Å; F89-L106 HydrophobicContact CZ-CG 4.45Å; F89-L109 HydrophobicContact CD1-CD1 4.47Å; F89-L109 HydrophobicContact CE1-CB 4.25Å; F89-M110 HydrophobicContact CE1-CG 3.99Å; F89-M110 HydrophobicContact CE2-CG 4.42Å; F89-M110 HydrophobicContact CE2-SD 4.24Å; F89-M110 HydrophobicContact CZ-CG 3.45Å; F89-M110 VanDerWaalsContact CZ-CG 3.45Å; F89-M110 HydrophobicContact CZ-SD 3.72Å; F89-V119 HydrophobicContact CD2-CG1 4.34Å; F89-V119 HydrophobicContact CE2-CG1 4.33Å; F89-L120 HydrophobicContact CE2-CD1 4.37Å; F89-L120 HydrophobicContact CZ-CD1 3.98Å
90Q83.1Confident84.5Confident135 Ų13572.6 Ų72.663%0.63140%0.402SS*.THydrogen-bonded Turntrans-64.9111.6175.4-75.91717.100109.4Q86 R87Q86-Q90 WeakPolarHBondContact O-CG 3.17Å; Q86-Q90 PolarHBondContact O-N 2.92Å; R87-Q90 WeakPolarHBondContact O-CB 3.22Å; R87-Q90 PolarHBondContact O-N 3.4Å; R87-Q90 VanDerWaalsContact O-N 3.13Å
91G82.1Confident84.9Confident74 Ų7476.9 Ų76.976%0.76342%0.418SS*.THydrogen-bonded Turntrans100.8-9.3-178.100000114.4F89 T93F89-G91 PolarHBondContact O-N 3.4Å; G91-T93 PolarHBondContact O-N 3.37Å
92E86.1Confident85.2Confident57 Ų5776.2 Ų76.227%0.26642%0.415SS..  trans-72.7126.5170.6-68.7-61.615200109.8F89 R97 F102 H105 L106 L109F89-E92 PolarHBondContact O-N 3.49Å; E92-R97 IonicContact OE2-NH1 2.84Å; E92-F102 HydrophobicContact CB-CE2 4.02Å; E92-F102 HydrophobicContact CB-CZ 4.01Å; E92-H105 VanDerWaalsContact CD-NE2 3.32Å; E92-H105 IonicContact OE1-NE2 3.53Å; E92-H105 IonicContact OE2-CD2 2.68Å; E92-H105 PolarHBondContact OE2-CD2 3.18Å; E92-H105 IonicContact OE2-NE2 3.62Å; E92-H105 PolarHBondContact OE2-NE2 2.96Å; E92-L106 HydrophobicContact CB-CD2 4.24Å; E92-L106 HydrophobicContact CG-CD2 4.39Å; E92-L109 HydrophobicContact CG-CD1 4Å
93T84.3Confident85.5Confident93 Ų9377.6 Ų77.657%0.57142%0.42SS*.  trans-128.1154.3177.557.30000109.8G91 G95 F102G91-T93 PolarHBondContact O-N 3.37Å; T93-G95 VanDerWaalsContact C-N 3.28Å; T93-G95 PolarHBondContact O-N 2.96Å; T93-F102 VanDerWaalsContact O-CE2 3.29Å; T93-F102 WeakPolarHBondContact O-CE2 3.12Å
94L85.5Confident85.8Confident19 Ų1980.5 Ų80.510%0.09943%0.427CS..  trans-59.7-41.8177.8-173.662.8000111.1D96 R97 F102 P129L94-D96 PolarHBondContact O-N 3.08Å; L94-R97 VanDerWaalsContact CD1-O 3.27Å; L94-R97 WeakPolarHBondContact CD1-O 3.42Å; L94-R97 WeakPolarHBondContact CG-O 3.48Å; L94-R97 VanDerWaalsContact O-CB 3.25Å; L94-R97 WeakPolarHBondContact O-CB 3.32Å; L94-R97 PolarHBondContact O-N 2.88Å; L94-F102 HydrophobicContact CD1-CB 3.44Å; L94-F102 VanDerWaalsContact CD1-CB 3.44Å; L94-F102 HydrophobicContact CD1-CD1 4.2Å; L94-F102 HydrophobicContact CD1-CG 3.83Å; L94-P129 HydrophobicContact CD2-CG 4.06Å
95G84.8Confident86.1Confident59 Ų5977.7 Ų77.761%0.60842%0.418SS*.THydrogen-bonded Turntrans53.3-135.1-177.300000111.5T93 R97T93-G95 VanDerWaalsContact C-N 3.28Å; T93-G95 PolarHBondContact O-N 2.96Å; G95-R97 VanDerWaalsContact C-N 3.28Å; G95-R97 PolarHBondContact O-N 2.66Å
96D86.9Confident86.4Confident179 Ų17977.7 Ų77.796%0.95742%0.418SS*.THydrogen-bonded Turntrans-84.23176-59.5-37.3000113.7L94L94-D96 PolarHBondContact O-N 3.08Å
97R85.8Confident86.6Confident105 Ų10577.5 Ų77.540%0.39642%0.417SS..SBendtrans-77.9146-179.1-56.4174.8-176.1137.4-8.6109.9E92 L94 G95 Q101 F102E92-R97 IonicContact OE2-NH1 2.84Å; L94-R97 VanDerWaalsContact CD1-O 3.27Å; L94-R97 WeakPolarHBondContact CD1-O 3.42Å; L94-R97 WeakPolarHBondContact CG-O 3.48Å; L94-R97 VanDerWaalsContact O-CB 3.25Å; L94-R97 WeakPolarHBondContact O-CB 3.32Å; L94-R97 PolarHBondContact O-N 2.88Å; G95-R97 VanDerWaalsContact C-N 3.28Å; G95-R97 PolarHBondContact O-N 2.66Å; R97-Q101 HydrophobicContact CB-CB 4.17Å; R97-F102 HydrophobicContact CB-CB 4.49Å
98S89.4Confident86.6Confident51 Ų5174.8 Ų74.836%0.35742%0.417SS..  trans-67.9155.4167.2710000111.2S100 Q101 F102S98-S100 PolarHBondContact O-N 3.23Å; S98-S100 VanDerWaalsContact O-N 3.15Å; S98-Q101 WeakPolarHBondContact O-CB 3.45Å; S98-Q101 PolarHBondContact O-N 3.5Å; S98-Q101 WeakPolarHBondContact OG-CG 3.27Å; S98-Q101 PolarHBondContact OG-N 3.34Å; S98-Q101 PolarHBondContact OG-OE1 3.02Å; S98-F102 PolarHBondContact O-N 2.79Å
99P86.2Confident86.7Confident62 Ų6274 Ų7440%0.40341%0.413SS..Hα-helixtrans-53-37177.8-29.336000114L103P99-L103 WeakPolarHBondContact O-CB 2.96Å; P99-L103 PolarHBondContact O-N 3.23Å
100S88.8Confident86.5Confident93 Ų9374 Ų7465%0.6541%0.414SS*.Hα-helixtrans-70.4-39.8177.8-53.60000112.7S98 F102 L103 R104S98-S100 PolarHBondContact O-N 3.23Å; S98-S100 VanDerWaalsContact O-N 3.15Å; S100-F102 VanDerWaalsContact C-N 3.33Å; S100-L103 PolarHBondContact O-N 3.27Å; S100-R104 WeakPolarHBondContact O-CB 3.32Å; S100-R104 PolarHBondContact O-N 3.15Å
101Q90.9Very high86.3Confident118 Ų11869.8 Ų69.855%0.55141%0.407SS*.Hα-helixtrans-63.8-41.6175.1-76170.2-31.700111R97 S98 R104 H105R97-Q101 HydrophobicContact CB-CB 4.17Å; S98-Q101 WeakPolarHBondContact O-CB 3.45Å; S98-Q101 PolarHBondContact O-N 3.5Å; S98-Q101 WeakPolarHBondContact OG-CG 3.27Å; S98-Q101 PolarHBondContact OG-N 3.34Å; S98-Q101 PolarHBondContact OG-OE1 3.02Å; Q101-R104 PolarHBondContact O-N 3.23Å; Q101-H105 WeakPolarHBondContact O-CB 3.48Å; Q101-H105 PolarHBondContact O-N 2.9Å
102F89.7Confident85.7Confident2 Ų274.3 Ų74.31%0.00941%0.413CS..Hα-helixtrans-68.1-43.6177.7-175.1-107.7000112.4E92 T93 L94 R97 S98 S100 R104 H105 L106 A127E92-F102 HydrophobicContact CB-CE2 4.02Å; E92-F102 HydrophobicContact CB-CZ 4.01Å; T93-F102 VanDerWaalsContact O-CE2 3.29Å; T93-F102 WeakPolarHBondContact O-CE2 3.12Å; L94-F102 HydrophobicContact CD1-CB 3.44Å; L94-F102 VanDerWaalsContact CD1-CB 3.44Å; L94-F102 HydrophobicContact CD1-CD1 4.2Å; L94-F102 HydrophobicContact CD1-CG 3.83Å; R97-F102 HydrophobicContact CB-CB 4.49Å; S98-F102 PolarHBondContact O-N 2.79Å; S100-F102 VanDerWaalsContact C-N 3.33Å; F102-R104 VanDerWaalsContact C-N 3.28Å; F102-R104 PolarHBondContact O-N 3.3Å; F102-H105 WeakPolarHBondContact O-CB 3.41Å; F102-H105 PolarHBondContact O-N 3.5Å; F102-H105 VanDerWaalsContact O-N 3.14Å; F102-L106 HydrophobicContact CD1-CD1 4.02Å; F102-L106 HydrophobicContact CD1-CG 4.21Å; F102-L106 HydrophobicContact CE1-CD1 3.49Å; F102-L106 VanDerWaalsContact CE1-CD1 3.49Å; F102-L106 HydrophobicContact CE1-CD2 4.09Å; F102-L106 HydrophobicContact CE1-CG 3.82Å; F102-L106 HydrophobicContact CE2-CD2 4.14Å; F102-L106 HydrophobicContact CE2-CG 4.42Å; F102-L106 HydrophobicContact CZ-CD1 4Å; F102-L106 HydrophobicContact CZ-CD2 3.71Å; F102-L106 HydrophobicContact CZ-CG 3.95Å; F102-L106 WeakPolarHBondContact O-CG 3.41Å; F102-L106 PolarHBondContact O-N 3.08Å; F102-A127 HydrophobicContact CD1-CB 4.14Å; F102-A127 HydrophobicContact CE1-CB 3.19Å; F102-A127 HydrophobicContact CZ-CB 3.44Å; F102-A127 VanDerWaalsContact CZ-CB 3.44Å
103L87.8Confident84.9Confident57 Ų5772.8 Ų72.830%0.29841%0.407SS..Hα-helixtrans-57.8-43.3173.7-177.564.4000111.4P99 S100 H105 L106 Q107 L120 W124P99-L103 WeakPolarHBondContact O-CB 2.96Å; P99-L103 PolarHBondContact O-N 3.23Å; S100-L103 PolarHBondContact O-N 3.27Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 3.45Å; L103-Q107 WeakPolarHBondContact O-CG 3.43Å; L103-Q107 PolarHBondContact O-N 3.48Å; L103-L120 HydrophobicContact CD1-CD1 4.19Å; L103-L120 HydrophobicContact CD1-CD2 4.03Å; L103-L120 HydrophobicContact CD1-CG 4.12Å; L103-W124 HydrophobicContact CD1-CG 4.26Å
104R88.8Confident84Confident155 Ų15573.9 Ų73.959%0.58541%0.414SS*.Hα-helixtrans-64.4-39.4177-173.957.8178.5160.53.2112.1S100 Q101 F102 Q107 V108S100-R104 WeakPolarHBondContact O-CB 3.32Å; S100-R104 PolarHBondContact O-N 3.15Å; Q101-R104 PolarHBondContact O-N 3.23Å; F102-R104 VanDerWaalsContact C-N 3.28Å; F102-R104 PolarHBondContact O-N 3.3Å; R104-Q107 PolarHBondContact O-N 2.94Å; R104-V108 WeakPolarHBondContact O-CG2 3.47Å; R104-V108 PolarHBondContact O-N 2.56Å
105H89.2Confident83.1Confident52 Ų5275.4 Ų75.424%0.24142%0.424CS..Hα-helixtrans-60.4-49173.8174.568.6000111.7E92 Q101 F102 L103 Q107 V108 L109E92-H105 VanDerWaalsContact CD-NE2 3.32Å; E92-H105 IonicContact OE1-NE2 3.53Å; E92-H105 IonicContact OE2-CD2 2.68Å; E92-H105 PolarHBondContact OE2-CD2 3.18Å; E92-H105 IonicContact OE2-NE2 3.62Å; E92-H105 PolarHBondContact OE2-NE2 2.96Å; Q101-H105 WeakPolarHBondContact O-CB 3.48Å; Q101-H105 PolarHBondContact O-N 2.9Å; F102-H105 WeakPolarHBondContact O-CB 3.41Å; F102-H105 PolarHBondContact O-N 3.5Å; F102-H105 VanDerWaalsContact O-N 3.14Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 2.86Å; H105-Q107 VanDerWaalsContact C-N 3.31Å; H105-Q107 PolarHBondContact O-N 3.43Å; H105-V108 PolarHBondContact O-N 2.98Å; H105-V108 VanDerWaalsContact O-N 3.16Å; H105-L109 WeakPolarHBondContact NE2-CD1 3.42Å; H105-L109 WeakPolarHBondContact O-CG 3.36Å; H105-L109 PolarHBondContact O-N 3.47Å
106L88Confident82.4Confident1 Ų172.6 Ų72.61%0.00540%0.395CS..Hα-helixtrans-59.9-40.4176-64.3-175.5000112.2F89 E92 F102 L103 L109 M110 L120 W124F89-L106 HydrophobicContact CD1-CD2 3.54Å; F89-L106 HydrophobicContact CE1-CB 3.92Å; F89-L106 HydrophobicContact CE1-CD2 3.58Å; F89-L106 HydrophobicContact CE1-CG 4.27Å; F89-L106 HydrophobicContact CG-CD2 4.08Å; F89-L106 HydrophobicContact CZ-CB 3.94Å; F89-L106 HydrophobicContact CZ-CD2 4.16Å; F89-L106 HydrophobicContact CZ-CG 4.45Å; E92-L106 HydrophobicContact CB-CD2 4.24Å; E92-L106 HydrophobicContact CG-CD2 4.39Å; F102-L106 HydrophobicContact CD1-CD1 4.02Å; F102-L106 HydrophobicContact CD1-CG 4.21Å; F102-L106 HydrophobicContact CE1-CD1 3.49Å; F102-L106 VanDerWaalsContact CE1-CD1 3.49Å; F102-L106 HydrophobicContact CE1-CD2 4.09Å; F102-L106 HydrophobicContact CE1-CG 3.82Å; F102-L106 HydrophobicContact CE2-CD2 4.14Å; F102-L106 HydrophobicContact CE2-CG 4.42Å; F102-L106 HydrophobicContact CZ-CD1 4Å; F102-L106 HydrophobicContact CZ-CD2 3.71Å; F102-L106 HydrophobicContact CZ-CG 3.95Å; F102-L106 WeakPolarHBondContact O-CG 3.41Å; F102-L106 PolarHBondContact O-N 3.08Å; L103-L106 PolarHBondContact O-N 3.45Å; L106-L109 HydrophobicContact CD2-CD1 4.48Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.25Å; L106-M110 WeakPolarHBondContact O-CG 3.17Å; L106-M110 PolarHBondContact O-N 3.37Å; L106-L120 HydrophobicContact CB-CD1 3.36Å; L106-L120 HydrophobicContact CD1-CD1 3.97Å; L106-L120 HydrophobicContact CG-CD1 4.34Å; L106-W124 HydrophobicContact CD1-CB 4.21Å
107Q87.5Confident81.9Confident76 Ų7671.3 Ų71.336%0.35538%0.383SS..Hα-helixtrans-61.7-43.1174.6-74.1174.5-17.600112.5L103 R104 H105 L109 M110 G111 L120L103-Q107 WeakPolarHBondContact O-CG 3.43Å; L103-Q107 PolarHBondContact O-N 3.48Å; R104-Q107 PolarHBondContact O-N 2.94Å; H105-Q107 VanDerWaalsContact C-N 3.31Å; H105-Q107 PolarHBondContact O-N 3.43Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; Q107-L109 PolarHBondContact O-N 3.32Å; Q107-M110 PolarHBondContact O-N 2.87Å; Q107-G111 PolarHBondContact O-N 2.92Å; Q107-L120 HydrophobicContact CG-CD2 3.92Å
108V86.2Confident81.6Confident96 Ų9670 Ų7058%0.58240%0.395SS*.Hα-helixtrans-62.6-41.3175.8169.50000110.8R104 H105 M110 G111R104-V108 WeakPolarHBondContact O-CG2 3.47Å; R104-V108 PolarHBondContact O-N 2.56Å; H105-V108 PolarHBondContact O-N 2.98Å; H105-V108 VanDerWaalsContact O-N 3.16Å; V108-M110 PolarHBondContact O-N 3.18Å; V108-G111 PolarHBondContact O-N 3.48Å
109L84.9Confident81Confident51 Ų5168.4 Ų68.427%0.26738%0.383SS..Hα-helixtrans-61.7-40.9176.7-75-179.3000112.4L88 F89 E92 H105 L106 Q107 G111L88-L109 HydrophobicContact CD1-CD2 4.34Å; L88-L109 HydrophobicContact CD2-CB 3.68Å; L88-L109 WeakPolarHBondContact CD2-O 3.39Å; L88-L109 HydrophobicContact CG-CB 4.13Å; L88-L109 HydrophobicContact CG-CD1 4.42Å; L88-L109 HydrophobicContact CG-CD2 4.49Å; F89-L109 HydrophobicContact CD1-CD1 4.47Å; F89-L109 HydrophobicContact CE1-CB 4.25Å; E92-L109 HydrophobicContact CG-CD1 4Å; H105-L109 WeakPolarHBondContact NE2-CD1 3.42Å; H105-L109 WeakPolarHBondContact O-CG 3.36Å; H105-L109 PolarHBondContact O-N 3.47Å; L106-L109 HydrophobicContact CD2-CD1 4.48Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.25Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; Q107-L109 PolarHBondContact O-N 3.32Å; L109-G111 VanDerWaalsContact C-N 3.33Å; L109-G111 PolarHBondContact O-N 3.45Å
110M81.1Confident80.8Confident19 Ų1966.3 Ų66.39%0.09437%0.368CS..Hα-helixtrans-68.8-28.6178.8-68.5-166-47.100114.3I85 F89 L106 Q107 V108 L120I85-M110 HydrophobicContact CD1-CG 4.29Å; I85-M110 HydrophobicContact CD1-SD 4.18Å; I85-M110 HydrophobicContact CG1-CG 4.36Å; I85-M110 HydrophobicContact CG2-CG 3.84Å; I85-M110 HydrophobicContact CG2-SD 3.87Å; F89-M110 HydrophobicContact CE1-CG 3.99Å; F89-M110 HydrophobicContact CE2-CG 4.42Å; F89-M110 HydrophobicContact CE2-SD 4.24Å; F89-M110 HydrophobicContact CZ-CG 3.45Å; F89-M110 VanDerWaalsContact CZ-CG 3.45Å; F89-M110 HydrophobicContact CZ-SD 3.72Å; L106-M110 WeakPolarHBondContact O-CG 3.17Å; L106-M110 PolarHBondContact O-N 3.37Å; Q107-M110 PolarHBondContact O-N 2.87Å; V108-M110 PolarHBondContact O-N 3.18Å; M110-L120 HydrophobicContact CE-CB 3.68Å; M110-L120 HydrophobicContact CE-CD1 3.77Å; M110-L120 HydrophobicContact CE-CD2 3.62Å; M110-L120 HydrophobicContact CE-CG 3.87Å; M110-L120 HydrophobicContact SD-CB 3.69Å; M110-L120 HydrophobicContact SD-CD1 4.06Å; M110-L120 HydrophobicContact SD-CG 4.33Å
111G77.4Confident80.5Confident47 Ų4768.7 Ų68.749%0.48537%0.367SS..THydrogen-bonded Turntrans64-149.4-171.600000112.6Q107 V108 L109 N113Q107-G111 PolarHBondContact O-N 2.92Å; V108-G111 PolarHBondContact O-N 3.48Å; L109-G111 VanDerWaalsContact C-N 3.33Å; L109-G111 PolarHBondContact O-N 3.45Å; G111-N113 PolarHBondContact O-N 3.27Å
112D71.1Confident80Confident169 Ų16967.4 Ų67.490%0.90436%0.361SS*.THydrogen-bonded Turntrans-76.416.8-177.5-64.1-31.5000114.3T114D112-T114 PolarHBondContact O-N 3.45Å; D112-T114 VanDerWaalsContact O-N 3.16Å
113N68.1Low79.4Confident25 Ų2567.8 Ų67.813%0.13437%0.365CS..  trans-79103.2-176.5-168.4-0.2000111.8R84 I85 G111 V115 G116R84-N113 PolarHBondContact NH2-ND2 2.96Å; R84-N113 VanDerWaalsContact NH2-ND2 3.16Å; I85-N113 HydrophobicContact CD1-CB 4.24Å; I85-N113 VanDerWaalsContact CD1-ND2 3.27Å; I85-N113 WeakPolarHBondContact CD1-ND2 3.45Å; G111-N113 PolarHBondContact O-N 3.27Å; N113-V115 VanDerWaalsContact C-N 3.33Å; N113-V115 PolarHBondContact O-N 3.12Å; N113-V115 PolarHBondContact OD1-N 3.02Å; N113-G116 PolarHBondContact O-N 3.09Å
114T66.9Low79.1Confident115 Ų11569 Ų6971%0.70637%0.366SS*.G310 helixtrans-66.2-31.2-179.255.10000113.4D112 G116D112-T114 PolarHBondContact O-N 3.45Å; D112-T114 VanDerWaalsContact O-N 3.16Å; T114-G116 PolarHBondContact O-N 3.17Å; T114-G116 VanDerWaalsContact O-N 3.12Å
115V65.7Low78.8Confident51 Ų5166 Ų6631%0.30936%0.361SS..G310 helixtrans-64.8-19.4-179.6-172.80000111.6N113 E117N113-V115 VanDerWaalsContact C-N 3.33Å; N113-V115 PolarHBondContact O-N 3.12Å; N113-V115 PolarHBondContact OD1-N 3.02Å; V115-E117 PolarHBondContact O-N 2.98Å
116G70.5Confident78.4Confident0 Ų070 Ų700%038%0.38CS..G310 helixtrans-72.6-10.8-172.200000116.8I85 N113 T114 A118 V119 L120I85-G116 VanDerWaalsContact CD1-CA 3.44Å; N113-G116 PolarHBondContact O-N 3.09Å; T114-G116 PolarHBondContact O-N 3.17Å; T114-G116 VanDerWaalsContact O-N 3.12Å; G116-A118 PolarHBondContact O-N 2.96Å; G116-V119 CarbonylContact O-C 3.48Å; G116-V119 PolarHBondContact O-N 3.36Å; G116-V119 VanDerWaalsContact O-N 3.08Å; G116-L120 WeakPolarHBondContact O-CB 3.4Å; G116-L120 PolarHBondContact O-N 3.02Å
117E77Confident77.8Confident152 Ų15270.9 Ų70.971%0.7139%0.386SS*.Hα-helixtrans-61.9-43-168.5-168.8-177.3174.800113.5V115 V119 L120 K121V115-E117 PolarHBondContact O-N 2.98Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 3.46Å; E117-L120 WeakPolarHBondContact O-CB 3.44Å; E117-L120 PolarHBondContact O-N 2.95Å; E117-K121 PolarHBondContact O-N 3.42Å
118A78.5Confident77.3Confident78 Ų7869.2 Ų69.265%0.64538%0.38SS*.Hα-helixtrans-63.2-39.1176.600000111.6G116 K121 Q122G116-A118 PolarHBondContact O-N 2.96Å; A118-K121 PolarHBondContact O-N 3.27Å; A118-Q122 PolarHBondContact O-N 2.83Å
119V76.2Confident76.5Confident18 Ų1868 Ų6811%0.10937%0.374CS..Hα-helixtrans-71.3-37.1177.4-172.60000111.1I85 Q86 F89 G116 E117 Q122 G123I85-V119 HydrophobicContact CB-CG1 4.1Å; I85-V119 HydrophobicContact CG2-CB 4.05Å; I85-V119 HydrophobicContact CG2-CG1 3.59Å; Q86-V119 HydrophobicContact CB-CG1 4.14Å; F89-V119 HydrophobicContact CD2-CG1 4.34Å; F89-V119 HydrophobicContact CE2-CG1 4.33Å; G116-V119 CarbonylContact O-C 3.48Å; G116-V119 PolarHBondContact O-N 3.36Å; G116-V119 VanDerWaalsContact O-N 3.08Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 3.46Å; V119-Q122 PolarHBondContact O-N 3.18Å; V119-G123 PolarHBondContact O-N 2.84Å
120L81.9Confident75.4Confident17 Ų1771.4 Ų71.49%0.08940%0.401CS..Hα-helixtrans-57.3-50.9171.9-178.865.1000110.3F89 L103 L106 Q107 M110 G116 E117 Q122 G123 W124F89-L120 HydrophobicContact CE2-CD1 4.37Å; F89-L120 HydrophobicContact CZ-CD1 3.98Å; L103-L120 HydrophobicContact CD1-CD1 4.19Å; L103-L120 HydrophobicContact CD1-CD2 4.03Å; L103-L120 HydrophobicContact CD1-CG 4.12Å; L106-L120 HydrophobicContact CB-CD1 3.36Å; L106-L120 HydrophobicContact CD1-CD1 3.97Å; L106-L120 HydrophobicContact CG-CD1 4.34Å; Q107-L120 HydrophobicContact CG-CD2 3.92Å; M110-L120 HydrophobicContact CE-CB 3.68Å; M110-L120 HydrophobicContact CE-CD1 3.77Å; M110-L120 HydrophobicContact CE-CD2 3.62Å; M110-L120 HydrophobicContact CE-CG 3.87Å; M110-L120 HydrophobicContact SD-CB 3.69Å; M110-L120 HydrophobicContact SD-CD1 4.06Å; M110-L120 HydrophobicContact SD-CG 4.33Å; G116-L120 WeakPolarHBondContact O-CB 3.4Å; G116-L120 PolarHBondContact O-N 3.02Å; E117-L120 WeakPolarHBondContact O-CB 3.44Å; E117-L120 PolarHBondContact O-N 2.95Å; L120-Q122 VanDerWaalsContact C-N 3.29Å; L120-Q122 PolarHBondContact O-N 2.93Å; L120-G123 PolarHBondContact O-N 2.8Å; L120-W124 VanDerWaalsContact O-CB 3.23Å; L120-W124 WeakPolarHBondContact O-CB 3.32Å; L120-W124 PolarHBondContact O-N 3.25Å
121K82.5Confident74.2Confident144 Ų14481.1 Ų81.163%0.62644%0.438SS*.Hα-helixtrans-59.4-43.5178.4-173.8176.5-179.3178.60110.8E117 A118 I125E117-K121 PolarHBondContact O-N 3.42Å; A118-K121 PolarHBondContact O-N 3.27Å; K121-I125 HydrophobicContact CG-CD1 4Å; K121-I125 WeakPolarHBondContact O-CB 3.41Å; K121-I125 WeakPolarHBondContact O-CG1 3.42Å; K121-I125 PolarHBondContact O-N 2.95Å
122Q81.1Confident73Confident91 Ų9184 Ų8443%0.42545%0.445SS..Hα-helixtrans-65.2-47.1177.2-172.7-177.5-29.400112.4A118 V119 L120 W124 I125 Q126A118-Q122 PolarHBondContact O-N 2.83Å; V119-Q122 PolarHBondContact O-N 3.18Å; L120-Q122 VanDerWaalsContact C-N 3.29Å; L120-Q122 PolarHBondContact O-N 2.93Å; Q122-W124 VanDerWaalsContact C-N 3.31Å; Q122-W124 PolarHBondContact O-N 3.23Å; Q122-I125 PolarHBondContact O-N 2.83Å; Q122-Q126 HydrophobicContact CG-CG 4.48Å; Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 WeakPolarHBondContact O-CG 3.41Å; Q122-Q126 PolarHBondContact O-N 2.84Å
123G78.2Confident72Confident10 Ų1084 Ų8410%0.10344%0.44CS..Hα-helixtrans-62.7-38.4177.900000112.2V119 L120 Q126 A127V119-G123 PolarHBondContact O-N 2.84Å; L120-G123 PolarHBondContact O-N 2.8Å; G123-Q126 PolarHBondContact O-N 2.98Å; G123-A127 WeakPolarHBondContact O-CB 3.45Å; G123-A127 PolarHBondContact O-N 3.1Å; G123-A127 VanDerWaalsContact O-N 3.15Å
124W81.6Confident70.5Confident81 Ų8195.1 Ų95.131%0.30749%0.491SS..Hα-helixtrans-62.8-49.4173-175.778000111.6L103 L106 L120 Q122 Q126 A127 L128L103-W124 HydrophobicContact CD1-CG 4.26Å; L106-W124 HydrophobicContact CD1-CB 4.21Å; L120-W124 VanDerWaalsContact O-CB 3.23Å; L120-W124 WeakPolarHBondContact O-CB 3.32Å; L120-W124 PolarHBondContact O-N 3.25Å; Q122-W124 VanDerWaalsContact C-N 3.31Å; Q122-W124 PolarHBondContact O-N 3.23Å; W124-Q126 VanDerWaalsContact C-N 3.34Å; W124-Q126 PolarHBondContact O-N 3.34Å; W124-A127 PolarHBondContact O-N 3.07Å; W124-L128 HydrophobicContact CD2-CD1 4.3Å; W124-L128 HydrophobicContact CE3-CD1 4.04Å; W124-L128 HydrophobicContact CH2-CD1 3.71Å; W124-L128 HydrophobicContact CZ2-CD1 3.97Å; W124-L128 HydrophobicContact CZ2-CD2 4.27Å; W124-L128 HydrophobicContact CZ3-CD1 3.74Å; W124-L128 WeakPolarHBondContact O-CG 3.21Å; W124-L128 PolarHBondContact O-N 3.08Å
125I81.5Confident70.7Confident94 Ų9494.1 Ų94.148%0.48248%0.48SS..Hα-helixtrans-60.3-42.7177-69.6166.9000111.4K121 Q122 A127 L128K121-I125 HydrophobicContact CG-CD1 4Å; K121-I125 WeakPolarHBondContact O-CB 3.41Å; K121-I125 WeakPolarHBondContact O-CG1 3.42Å; K121-I125 PolarHBondContact O-N 2.95Å; Q122-I125 PolarHBondContact O-N 2.83Å; I125-A127 VanDerWaalsContact C-N 3.26Å; I125-A127 PolarHBondContact O-N 3.29Å; I125-L128 PolarHBondContact O-N 3.25Å
126Q80Confident70.9Confident136 Ų13696.4 Ų96.464%0.63649%0.489SS*.Hα-helixtrans-66.1-27.4-179.4-76-174-1600113.4Q122 G123 W124Q122-Q126 HydrophobicContact CG-CG 4.48Å; Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 WeakPolarHBondContact O-CG 3.41Å; Q122-Q126 PolarHBondContact O-N 2.84Å; G123-Q126 PolarHBondContact O-N 2.98Å; W124-Q126 VanDerWaalsContact C-N 3.34Å; W124-Q126 PolarHBondContact O-N 3.34Å
127A77.2Confident70.9Confident18 Ų18101.7 Ų101.715%0.14952%0.516CS..Hα-helixtrans-88.6-14-179.800000113.9F102 G123 W124 I125F102-A127 HydrophobicContact CD1-CB 4.14Å; F102-A127 HydrophobicContact CE1-CB 3.19Å; F102-A127 HydrophobicContact CZ-CB 3.44Å; F102-A127 VanDerWaalsContact CZ-CB 3.44Å; G123-A127 WeakPolarHBondContact O-CB 3.45Å; G123-A127 PolarHBondContact O-N 3.1Å; G123-A127 VanDerWaalsContact O-N 3.15Å; W124-A127 PolarHBondContact O-N 3.07Å; I125-A127 VanDerWaalsContact C-N 3.26Å; I125-A127 PolarHBondContact O-N 3.29Å
128L76.5Confident70.6Confident41 Ų4198.8 Ų98.822%0.21551%0.505CS..SBendtrans-67.9131.5175.8-71.5175.9000109.7W124 I125 C130W124-L128 HydrophobicContact CD2-CD1 4.3Å; W124-L128 HydrophobicContact CE3-CD1 4.04Å; W124-L128 HydrophobicContact CH2-CD1 3.71Å; W124-L128 HydrophobicContact CZ2-CD1 3.97Å; W124-L128 HydrophobicContact CZ2-CD2 4.27Å; W124-L128 HydrophobicContact CZ3-CD1 3.74Å; W124-L128 WeakPolarHBondContact O-CG 3.21Å; W124-L128 PolarHBondContact O-N 3.08Å; I125-L128 PolarHBondContact O-N 3.25Å; L128-C130 PolarHBondContact O-N 3.3Å
129P68.6Low70.1Confident72 Ų72100.1 Ų100.147%0.46850%0.496SS..  trans-54.9138.1169.2-20.830.5000109.5L94 Y131 V132L94-P129 HydrophobicContact CD2-CG 4.06Å; P129-Y131 PolarHBondContact O-N 3.09Å; P129-V132 PolarHBondContact O-N 3.2Å
130C62.6Low69.7Low121 Ų121105.5 Ų105.582%0.81852%0.522SS*.G310 helixtrans-54-8.2178.1-67.90000114.7L128 V132L128-C130 PolarHBondContact O-N 3.3Å; C130-V132 VanDerWaalsContact C-N 3.28Å; C130-V132 PolarHBondContact O-N 2.91Å
131Y55.7Low68.8Low223 Ų223111.9 Ų111.988%0.87555%0.553SS**G310 helixtrans-78-1.5-179.3-133.1-92.7000115.2P129P129-Y131 PolarHBondContact O-N 3.09Å
132V51.8Low67.8Low107 Ų107109.4 Ų109.465%0.64855%0.547SS*.G310 helixtrans-103.429176.9-155.80000112.4P129 C130P129-V132 PolarHBondContact O-N 3.2Å; C130-V132 VanDerWaalsContact C-N 3.28Å; C130-V132 PolarHBondContact O-N 2.91Å
133Q50.1Low66.7Low170 Ų170110.9 Ų110.979%0.79456%0.557SS**  trans-106.420.2170.4-71.4-164.7-44.300114.2
134H36.3Very low65.6Low258 Ų258120.1 Ų120.1100%1.19460%0.599SS**  trans-128.30169.9-82.8-66.4000112.3

Retrieved 134 of 134 residues in 345.9 ms (Link to these results)

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