A0A5K4F7E2_SCHMA Loading...

Small ribosomal subunit protein uS15

AlphaFold DB , UniProt , Accession A0A5K4F7E2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 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
1M76.6Confident91.1Very high97 Ų9755.1 Ų55.148%0.47828%0.283SS..  0131.90-74-171.473.800109.7E5 V6 Q9 F31 V33M1-E5 WeakPolarHBondContact CA-OE2 3.28Å; M1-E5 HydrophobicContact CE-CB 3.8Å; M1-V6 HydrophobicContact CB-CG2 3.92Å; M1-V6 HydrophobicContact CE-CB 4.38Å; M1-V6 HydrophobicContact CE-CG2 3.52Å; M1-V6 HydrophobicContact SD-CG2 3.96Å; M1-Q9 HydrophobicContact CE-CB 4.43Å; M1-F31 HydrophobicContact CE-CD1 4.29Å; M1-F31 HydrophobicContact SD-CB 3.77Å; M1-F31 HydrophobicContact SD-CD1 3.78Å; M1-F31 HydrophobicContact SD-CG 4.13Å; M1-V33 HydrophobicContact SD-CG2 3.99Å
2T89.9Confident91.4Very high76 Ų7660.6 Ų60.647%0.46630%0.303SS..  trans-75.4163.8172.159.60000111.4D4 E5 V6T2-D4 PolarHBondContact O-N 3.14Å; T2-E5 PolarHBondContact N-OE2 2.84Å; T2-E5 PolarHBondContact O-N 2.91Å; T2-E5 VanDerWaalsContact OG1-CG 3.22Å; T2-E5 WeakPolarHBondContact OG1-CG 3.47Å; T2-E5 PolarHBondContact OG1-N 2.89Å; T2-E5 PolarHBondContact OG1-OE1 3.33Å; T2-V6 PolarHBondContact O-N 3.3Å
3A90.4Very high91.7Very high32 Ų3256.6 Ų56.626%0.26428%0.284SS..Hα-helixtrans-58.9-35.3178.600000112.3K7A3-K7 WeakPolarHBondContact O-CG 3.48Å; A3-K7 PolarHBondContact O-N 3.06Å
4D91.8Very high91.9Very high101 Ų10153.7 Ų53.754%0.5427%0.273SS..Hα-helixtrans-78.7-35.8-178.1-63.2-38.6000112.5T2 V6 K7 E8T2-D4 PolarHBondContact O-N 3.14Å; D4-V6 VanDerWaalsContact C-N 3.27Å; D4-V6 PolarHBondContact O-N 3.08Å; D4-K7 PolarHBondContact O-N 3.38Å; D4-K7 IonicContact OD1-NZ 2.84Å; D4-K7 PolarHBondContact OD1-NZ 2.93Å; D4-E8 PolarHBondContact O-N 3.31Å
5E92.5Very high92Very high95 Ų9560.4 Ų60.444%0.44430%0.299SS..Hα-helixtrans-57.4-41.3169.5-76.1159.6-146.100111.8M1 T2 E8 Q9M1-E5 WeakPolarHBondContact CA-OE2 3.28Å; M1-E5 HydrophobicContact CE-CB 3.8Å; T2-E5 PolarHBondContact N-OE2 2.84Å; T2-E5 PolarHBondContact O-N 2.91Å; T2-E5 VanDerWaalsContact OG1-CG 3.22Å; T2-E5 WeakPolarHBondContact OG1-CG 3.47Å; T2-E5 PolarHBondContact OG1-N 2.89Å; T2-E5 PolarHBondContact OG1-OE1 3.33Å; E5-E8 PolarHBondContact O-N 3.24Å; E5-Q9 WeakPolarHBondContact O-CB 3.43Å; E5-Q9 PolarHBondContact O-N 3.21Å
6V92.4Very high92.1Very high0 Ų066.9 Ų66.90%033%0.325CS..Hα-helixtrans-67.7-40.1178171.60000111.6M1 T2 D4 Q9 I10 V33 V36 L39M1-V6 HydrophobicContact CB-CG2 3.92Å; M1-V6 HydrophobicContact CE-CB 4.38Å; M1-V6 HydrophobicContact CE-CG2 3.52Å; M1-V6 HydrophobicContact SD-CG2 3.96Å; T2-V6 PolarHBondContact O-N 3.3Å; D4-V6 VanDerWaalsContact C-N 3.27Å; D4-V6 PolarHBondContact O-N 3.08Å; V6-Q9 PolarHBondContact O-N 3.19Å; V6-I10 HydrophobicContact CG1-CD1 3.92Å; V6-I10 HydrophobicContact CG1-CG1 4.46Å; V6-I10 WeakPolarHBondContact O-CD1 3.49Å; V6-I10 VanDerWaalsContact O-CG1 3.23Å; V6-I10 WeakPolarHBondContact O-CG1 3.31Å; V6-I10 PolarHBondContact O-N 3.43Å; V6-V33 HydrophobicContact CG2-CG2 3.94Å; V6-V36 HydrophobicContact CG1-CG1 4.25Å; V6-L39 HydrophobicContact CB-CD2 4.26Å; V6-L39 HydrophobicContact CG2-CD2 3.47Å; V6-L39 VanDerWaalsContact CG2-CD2 3.47Å
7K93Very high92.1Very high59 Ų5966.9 Ų66.926%0.25735%0.347SS..Hα-helixtrans-61.5-46.4174-68.6172-162155.50111A3 D4 Q9 I10 Y11 I47A3-K7 WeakPolarHBondContact O-CG 3.48Å; A3-K7 PolarHBondContact O-N 3.06Å; D4-K7 PolarHBondContact O-N 3.38Å; D4-K7 IonicContact OD1-NZ 2.84Å; D4-K7 PolarHBondContact OD1-NZ 2.93Å; K7-Q9 VanDerWaalsContact C-N 3.29Å; K7-Q9 PolarHBondContact O-N 2.98Å; K7-I10 WeakPolarHBondContact O-CB 3.47Å; K7-I10 PolarHBondContact O-N 3.29Å; K7-I10 VanDerWaalsContact O-N 3.17Å; K7-Y11 HydrophobicContact CB-CE2 3.86Å; K7-Y11 WeakPolarHBondContact O-CD2 3.44Å; K7-Y11 WeakPolarHBondContact O-CE2 3.39Å; K7-Y11 PolarHBondContact O-N 3.44Å; K7-I47 HydrophobicContact CB-CG2 4.41Å; K7-I47 HydrophobicContact CG-CG2 4.11Å
8E93.4Very high92.1Very high88 Ų8865.9 Ų65.941%0.41134%0.342SS..Hα-helixtrans-61.3-39.1177.3-77.1-56131.800112.3D4 E5 Y11 K12 K51D4-E8 PolarHBondContact O-N 3.31Å; E5-E8 PolarHBondContact O-N 3.24Å; E8-Y11 PolarHBondContact O-N 3.47Å; E8-Y11 WeakPolarHBondContact OE1-CD2 3.02Å; E8-K12 WeakPolarHBondContact O-CG 3.42Å; E8-K12 PolarHBondContact O-N 3.21Å; E8-K51 IonicContact OE1-NZ 3.82Å; E8-K51 PolarHBondContact OE1-NZ 3.31Å; E8-K51 IonicContact OE2-NZ 2.99Å
9Q93.3Very high92.2Very high34 Ų3463.5 Ų63.516%0.15933%0.331CS..Hα-helixtrans-66.4-40.1174.5-167.757.818.400112.5M1 E5 V6 K7 Y11 K12 L13 L27 F31M1-Q9 HydrophobicContact CE-CB 4.43Å; E5-Q9 WeakPolarHBondContact O-CB 3.43Å; E5-Q9 PolarHBondContact O-N 3.21Å; V6-Q9 PolarHBondContact O-N 3.19Å; K7-Q9 VanDerWaalsContact C-N 3.29Å; K7-Q9 PolarHBondContact O-N 2.98Å; Q9-Y11 VanDerWaalsContact C-N 3.31Å; Q9-Y11 PolarHBondContact O-N 3.25Å; Q9-K12 PolarHBondContact O-N 3.09Å; Q9-L13 HydrophobicContact CG-CD1 4.16Å; Q9-L13 WeakPolarHBondContact O-CB 3.42Å; Q9-L13 VanDerWaalsContact O-CG 3.29Å; Q9-L13 WeakPolarHBondContact O-CG 3.22Å; Q9-L13 PolarHBondContact O-N 3.18Å; Q9-L27 HydrophobicContact CB-CD2 4.25Å; Q9-L27 HydrophobicContact CG-CD2 3.9Å; Q9-F31 HydrophobicContact CG-CD1 4.46Å; Q9-F31 HydrophobicContact CG-CD2 4.3Å; Q9-F31 HydrophobicContact CG-CE1 4Å; Q9-F31 HydrophobicContact CG-CE2 3.82Å; Q9-F31 HydrophobicContact CG-CZ 3.68Å
10I94.5Very high92.3Very high0 Ų061.2 Ų61.20%032%0.32CS..Hα-helixtrans-57.4-45.4172.7-71.7163000110.5V6 K7 L13 A14 I23 L27 V36 I44 I47 L48V6-I10 HydrophobicContact CG1-CD1 3.92Å; V6-I10 HydrophobicContact CG1-CG1 4.46Å; V6-I10 WeakPolarHBondContact O-CD1 3.49Å; V6-I10 VanDerWaalsContact O-CG1 3.23Å; V6-I10 WeakPolarHBondContact O-CG1 3.31Å; V6-I10 PolarHBondContact O-N 3.43Å; K7-I10 WeakPolarHBondContact O-CB 3.47Å; K7-I10 PolarHBondContact O-N 3.29Å; K7-I10 VanDerWaalsContact O-N 3.17Å; I10-L13 PolarHBondContact O-N 2.94Å; I10-A14 WeakPolarHBondContact O-CB 3.43Å; I10-A14 PolarHBondContact O-N 3.27Å; I10-I23 HydrophobicContact CB-CG2 4.47Å; I10-I23 HydrophobicContact CG1-CG2 4.08Å; I10-I23 HydrophobicContact CG2-CG2 4.42Å; I10-L27 HydrophobicContact CD1-CD1 4.13Å; I10-L27 HydrophobicContact CG1-CD1 3.57Å; I10-V36 HydrophobicContact CD1-CG1 3.72Å; I10-I44 HydrophobicContact CD1-CG1 4.49Å; I10-I44 HydrophobicContact CG2-CG2 4.23Å; I10-I47 HydrophobicContact CD1-CD1 3.83Å; I10-I47 HydrophobicContact CD1-CG2 4.36Å; I10-I47 HydrophobicContact CG2-CG2 4.23Å; I10-L48 HydrophobicContact CG2-CD2 3.6Å; I10-L48 HydrophobicContact CG2-CG 4.04Å
11Y94.7Very high92.4Very high24 Ų2461.4 Ų61.49%0.09433%0.327CS..Hα-helixtrans-65.9-41.6179.6-56.5-41.1000112.5K7 E8 Q9 A14 K15 I47 L48 K51 L53K7-Y11 HydrophobicContact CB-CE2 3.86Å; K7-Y11 WeakPolarHBondContact O-CD2 3.44Å; K7-Y11 WeakPolarHBondContact O-CE2 3.39Å; K7-Y11 PolarHBondContact O-N 3.44Å; E8-Y11 PolarHBondContact O-N 3.47Å; E8-Y11 WeakPolarHBondContact OE1-CD2 3.02Å; Q9-Y11 VanDerWaalsContact C-N 3.31Å; Q9-Y11 PolarHBondContact O-N 3.25Å; Y11-A14 PolarHBondContact O-N 3Å; Y11-K15 WeakPolarHBondContact O-CB 3.48Å; Y11-K15 WeakPolarHBondContact O-CG 3.48Å; Y11-K15 PolarHBondContact O-N 3.24Å; Y11-I47 HydrophobicContact CE1-CG2 3.64Å; Y11-I47 WeakPolarHBondContact CE1-O 3.48Å; Y11-L48 HydrophobicContact CD1-CD2 4.41Å; Y11-K51 HydrophobicContact CD1-CB 4.07Å; Y11-K51 HydrophobicContact CD1-CD 3.49Å; Y11-K51 VanDerWaalsContact CD1-CD 3.49Å; Y11-K51 HydrophobicContact CD1-CG 4.34Å; Y11-K51 HydrophobicContact CD2-CD 3.37Å; Y11-K51 HydrophobicContact CE1-CB 3.55Å; Y11-K51 HydrophobicContact CE1-CD 3.47Å; Y11-K51 VanDerWaalsContact CE1-CD 3.47Å; Y11-K51 HydrophobicContact CE1-CG 4.13Å; Y11-K51 HydrophobicContact CE2-CD 3.38Å; Y11-K51 HydrophobicContact CG-CD 3.43Å; Y11-K51 VanDerWaalsContact CG-CD 3.43Å; Y11-K51 VanDerWaalsContact CZ-CD 3.42Å; Y11-L53 HydrophobicContact CD1-CD1 3.87Å; Y11-L53 HydrophobicContact CG-CD1 4.26Å
12K94.8Very high93.3Very high121 Ų12161.1 Ų61.153%0.52632%0.324SS..Hα-helixtrans-60.5-45.6175-74174.7-177.4177.30111.5E8 Q9 K15 K16E8-K12 WeakPolarHBondContact O-CG 3.42Å; E8-K12 PolarHBondContact O-N 3.21Å; Q9-K12 PolarHBondContact O-N 3.09Å; K12-K15 PolarHBondContact O-N 3.06Å; K12-K16 WeakPolarHBondContact O-CG 3.5Å; K12-K16 PolarHBondContact O-N 2.98Å
13L94.8Very high93.5Very high9 Ų957.5 Ų57.55%0.04730%0.302CS..Hα-helixtrans-68.6-38.3179.8-66.4170.5000112Q9 I10 K16 L18 I23 I26 L27Q9-L13 HydrophobicContact CG-CD1 4.16Å; Q9-L13 WeakPolarHBondContact O-CB 3.42Å; Q9-L13 VanDerWaalsContact O-CG 3.29Å; Q9-L13 WeakPolarHBondContact O-CG 3.22Å; Q9-L13 PolarHBondContact O-N 3.18Å; I10-L13 PolarHBondContact O-N 2.94Å; L13-K16 WeakPolarHBondContact O-CB 3.42Å; L13-K16 PolarHBondContact O-N 3.19Å; L13-L18 HydrophobicContact CB-CD1 4.05Å; L13-L18 HydrophobicContact CD2-CD1 3.75Å; L13-L18 HydrophobicContact CG-CD1 4.48Å; L13-L18 WeakPolarHBondContact O-CB 3.23Å; L13-L18 PolarHBondContact O-N 3.35Å; L13-I23 HydrophobicContact CB-CD1 4.3Å; L13-I23 HydrophobicContact CB-CG1 3.83Å; L13-I23 HydrophobicContact CB-CG2 4.37Å; L13-I23 HydrophobicContact CD1-CG2 4.05Å; L13-I26 HydrophobicContact CD1-CB 4.29Å; L13-I26 HydrophobicContact CD1-CG2 3.86Å; L13-I26 HydrophobicContact CD2-CD1 4.33Å; L13-I26 HydrophobicContact CD2-CG2 4.18Å; L13-L27 HydrophobicContact CD1-CD2 4.43Å; L13-L27 HydrophobicContact CD1-CG 4.42Å
14A94.5Very high93.7Very high16 Ų1657 Ų5713%0.13230%0.301CS..Hα-helixtrans-65.1-39.9174.700000112.6I10 Y11 K16 G17 I23 L48I10-A14 WeakPolarHBondContact O-CB 3.43Å; I10-A14 PolarHBondContact O-N 3.27Å; Y11-A14 PolarHBondContact O-N 3Å; A14-K16 PolarHBondContact O-N 3.43Å; A14-G17 PolarHBondContact O-N 3.38Å; A14-I23 HydrophobicContact CB-CD1 3.91Å; A14-L48 HydrophobicContact CB-CD2 3.39Å
15K93.2Very high93.9Very high154 Ų15455.5 Ų55.567%0.6730%0.295SS*.Hα-helixtrans-63.5-23.4173.8-75.4-178.7177.9-1720113.5Y11 K12 G17 L53Y11-K15 WeakPolarHBondContact O-CB 3.48Å; Y11-K15 WeakPolarHBondContact O-CG 3.48Å; Y11-K15 PolarHBondContact O-N 3.24Å; K12-K15 PolarHBondContact O-N 3.06Å; K15-G17 PolarHBondContact O-N 3.49Å; K15-L53 HydrophobicContact CG-CD1 4.42Å; K15-L53 HydrophobicContact CG-CD2 4.32Å
16K93.8Very high94Very high164 Ų16453.1 Ų53.171%0.71329%0.285SS*.THydrogen-bonded Turntrans-77.50.1171.1-68-179.3179-171.70113.3K12 L13 A14K12-K16 WeakPolarHBondContact O-CG 3.5Å; K12-K16 PolarHBondContact O-N 2.98Å; L13-K16 WeakPolarHBondContact O-CB 3.42Å; L13-K16 PolarHBondContact O-N 3.19Å; A14-K16 PolarHBondContact O-N 3.43Å
17G91.5Very high94.1Very high68 Ų6853.1 Ų53.170%0.70129%0.285SS*.THydrogen-bonded Turntrans8316179.500000114.5A14 K15A14-G17 PolarHBondContact O-N 3.38Å; K15-G17 PolarHBondContact O-N 3.49Å
18L93.6Very high94.2Very high49 Ų4956.5 Ų56.526%0.25730%0.296SS..  trans-78.6142.5178.4-65170.2000111.4L13 Q22 I23 I26L13-L18 HydrophobicContact CB-CD1 4.05Å; L13-L18 HydrophobicContact CD2-CD1 3.75Å; L13-L18 HydrophobicContact CG-CD1 4.48Å; L13-L18 WeakPolarHBondContact O-CB 3.23Å; L13-L18 PolarHBondContact O-N 3.35Å; L18-Q22 HydrophobicContact CB-CB 4.38Å; L18-Q22 HydrophobicContact CD2-CB 4.48Å; L18-I23 HydrophobicContact CB-CG1 3.93Å; L18-I26 HydrophobicContact CD1-CD1 3.5Å; L18-I26 VanDerWaalsContact CD1-CD1 3.5Å
19S92.9Very high94.3Very high19 Ų1957 Ų5713%0.13330%0.301CS..  trans-73.6154.917879.70000111.8S21 Q22 I23 E59S19-S21 PolarHBondContact O-N 3.18Å; S19-S21 VanDerWaalsContact O-N 3.15Å; S19-S21 PolarHBondContact OG-OG 3.26Å; S19-Q22 WeakPolarHBondContact O-CB 3.4Å; S19-Q22 PolarHBondContact O-N 3.23Å; S19-Q22 WeakPolarHBondContact OG-CG 3.5Å; S19-Q22 PolarHBondContact OG-N 2.73Å; S19-Q22 PolarHBondContact OG-OE1 2.91Å; S19-I23 WeakPolarHBondContact O-CG1 3.43Å; S19-I23 PolarHBondContact O-N 3.35Å; S19-E59 VanDerWaalsContact CB-CD 3.49Å; S19-E59 WeakPolarHBondContact CB-OE1 3.38Å; S19-E59 PolarHBondContact OG-OE1 3.15Å
20P94.3Very high94.3Very high18 Ų1859.7 Ų59.712%0.11732%0.324CS..Hα-helixtrans-52.4-36.8178.1-28.334.5000114.3G24 I44 L45 L48 E59P20-G24 PolarHBondContact O-N 3.13Å; P20-G24 VanDerWaalsContact O-N 3.15Å; P20-I44 HydrophobicContact CB-CG2 4.19Å; P20-L45 HydrophobicContact CG-CD1 4.2Å; P20-L48 HydrophobicContact CB-CD1 4.48Å; P20-L48 HydrophobicContact CG-CD1 4.01Å; P20-E59 WeakPolarHBondContact CD-OE2 3.28Å
21S95Very high94.2Very high65 Ų6563.3 Ų63.346%0.45534%0.34SS..Hα-helixtrans-66.8-45.2175730000112.6S19 I23 G24 V25 E59S19-S21 PolarHBondContact O-N 3.18Å; S19-S21 VanDerWaalsContact O-N 3.15Å; S19-S21 PolarHBondContact OG-OG 3.26Å; S21-I23 VanDerWaalsContact C-N 3.34Å; S21-I23 PolarHBondContact O-N 2.99Å; S21-G24 PolarHBondContact O-N 3.22Å; S21-G24 VanDerWaalsContact O-N 3.15Å; S21-V25 PolarHBondContact O-N 3.21Å; S21-V25 VanDerWaalsContact O-N 3.09Å; S21-E59 VanDerWaalsContact CB-OE1 3.28Å; S21-E59 WeakPolarHBondContact CB-OE1 3.26Å; S21-E59 PolarHBondContact N-OE2 3.15Å; S21-E59 PolarHBondContact OG-OE1 3.41Å
22Q94.6Very high93.9Very high91 Ų9165.2 Ų65.243%0.42537%0.367SS..Hα-helixtrans-62-41.3176.7-69.4174.7-44.200111.7L18 S19 G24 V25 I26L18-Q22 HydrophobicContact CB-CB 4.38Å; L18-Q22 HydrophobicContact CD2-CB 4.48Å; S19-Q22 WeakPolarHBondContact O-CB 3.4Å; S19-Q22 PolarHBondContact O-N 3.23Å; S19-Q22 WeakPolarHBondContact OG-CG 3.5Å; S19-Q22 PolarHBondContact OG-N 2.73Å; S19-Q22 PolarHBondContact OG-OE1 2.91Å; Q22-G24 VanDerWaalsContact C-N 3.29Å; Q22-G24 PolarHBondContact O-N 3.33Å; Q22-V25 PolarHBondContact O-N 3.44Å; Q22-I26 WeakPolarHBondContact O-CG1 3.39Å; Q22-I26 PolarHBondContact O-N 3.04Å
23I95.1Very high93.7Very high0 Ų060.1 Ų60.10%035%0.346CS..Hα-helixtrans-57.6-45.4174.5-65.8171.6000110.2I10 L13 A14 L18 S19 S21 V25 I26 L27 I44 L48I10-I23 HydrophobicContact CB-CG2 4.47Å; I10-I23 HydrophobicContact CG1-CG2 4.08Å; I10-I23 HydrophobicContact CG2-CG2 4.42Å; L13-I23 HydrophobicContact CB-CD1 4.3Å; L13-I23 HydrophobicContact CB-CG1 3.83Å; L13-I23 HydrophobicContact CB-CG2 4.37Å; L13-I23 HydrophobicContact CD1-CG2 4.05Å; A14-I23 HydrophobicContact CB-CD1 3.91Å; L18-I23 HydrophobicContact CB-CG1 3.93Å; S19-I23 WeakPolarHBondContact O-CG1 3.43Å; S19-I23 PolarHBondContact O-N 3.35Å; S21-I23 VanDerWaalsContact C-N 3.34Å; S21-I23 PolarHBondContact O-N 2.99Å; I23-V25 VanDerWaalsContact C-N 3.34Å; I23-V25 PolarHBondContact O-N 3.06Å; I23-I26 PolarHBondContact O-N 2.94Å; I23-L27 HydrophobicContact CG2-CD1 3.79Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 WeakPolarHBondContact O-CB 3Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 3.15Å; I23-I44 HydrophobicContact CG2-CG2 4.24Å; I23-L48 HydrophobicContact CD1-CD1 4.31Å
24G94.1Very high93.5Very high23 Ų2363.3 Ų63.324%0.23737%0.373CS..Hα-helixtrans-60-41.8177.300000113.2P20 S21 Q22 L27 R28P20-G24 PolarHBondContact O-N 3.13Å; P20-G24 VanDerWaalsContact O-N 3.15Å; S21-G24 PolarHBondContact O-N 3.22Å; S21-G24 VanDerWaalsContact O-N 3.15Å; Q22-G24 VanDerWaalsContact C-N 3.29Å; Q22-G24 PolarHBondContact O-N 3.33Å; G24-L27 PolarHBondContact O-N 2.96Å; G24-R28 PolarHBondContact O-N 3.33Å; G24-R28 VanDerWaalsContact O-N 3.09Å
25V95.6Very high93.5Very high68 Ų6868.1 Ų68.141%0.41239%0.393SS..Hα-helixtrans-63.8-47.5176.8174.40000111.1S21 Q22 I23 L27 R28 D29S21-V25 PolarHBondContact O-N 3.21Å; S21-V25 VanDerWaalsContact O-N 3.09Å; Q22-V25 PolarHBondContact O-N 3.44Å; I23-V25 VanDerWaalsContact C-N 3.34Å; I23-V25 PolarHBondContact O-N 3.06Å; V25-L27 VanDerWaalsContact C-N 3.33Å; V25-L27 PolarHBondContact O-N 3.21Å; V25-R28 PolarHBondContact O-N 3.36Å; V25-D29 VanDerWaalsContact CG1-OD2 3.29Å; V25-D29 WeakPolarHBondContact CG1-OD2 3.29Å; V25-D29 WeakPolarHBondContact O-CB 3.27Å; V25-D29 PolarHBondContact O-N 2.99Å
26I95.2Very high93.4Very high46 Ų4661.3 Ų61.324%0.23636%0.364CS..Hα-helixtrans-63.2-40.7179.5-68.7163.5000111.3L13 L18 Q22 I23 R28 D29 S30 F31L13-I26 HydrophobicContact CD1-CB 4.29Å; L13-I26 HydrophobicContact CD1-CG2 3.86Å; L13-I26 HydrophobicContact CD2-CD1 4.33Å; L13-I26 HydrophobicContact CD2-CG2 4.18Å; L18-I26 HydrophobicContact CD1-CD1 3.5Å; L18-I26 VanDerWaalsContact CD1-CD1 3.5Å; Q22-I26 WeakPolarHBondContact O-CG1 3.39Å; Q22-I26 PolarHBondContact O-N 3.04Å; I23-I26 PolarHBondContact O-N 2.94Å; I26-R28 VanDerWaalsContact C-N 3.3Å; I26-R28 PolarHBondContact O-N 2.91Å; I26-D29 PolarHBondContact O-N 2.89Å; I26-S30 VanDerWaalsContact O-CB 3.32Å; I26-S30 WeakPolarHBondContact O-CB 3.37Å; I26-S30 PolarHBondContact O-N 3.34Å; I26-F31 HydrophobicContact CG2-CD2 4.3Å; I26-F31 HydrophobicContact CG2-CE2 3.99Å
27L94Very high93.4Very high0 Ų059.8 Ų59.80%035%0.354CS..Hα-helixtrans-63.7-37.9177-72.1171.5000112.2Q9 I10 L13 I23 G24 V25 F31 G32 V33 V36Q9-L27 HydrophobicContact CB-CD2 4.25Å; Q9-L27 HydrophobicContact CG-CD2 3.9Å; I10-L27 HydrophobicContact CD1-CD1 4.13Å; I10-L27 HydrophobicContact CG1-CD1 3.57Å; L13-L27 HydrophobicContact CD1-CD2 4.43Å; L13-L27 HydrophobicContact CD1-CG 4.42Å; I23-L27 HydrophobicContact CG2-CD1 3.79Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 WeakPolarHBondContact O-CB 3Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 3.15Å; G24-L27 PolarHBondContact O-N 2.96Å; V25-L27 VanDerWaalsContact C-N 3.33Å; V25-L27 PolarHBondContact O-N 3.21Å; L27-F31 HydrophobicContact CD2-CD2 4.03Å; L27-F31 HydrophobicContact CD2-CG 4.36Å; L27-F31 CarbonylContact O-C 3.52Å; L27-F31 WeakPolarHBondContact O-CB 3.4Å; L27-F31 PolarHBondContact O-N 2.9Å; L27-G32 PolarHBondContact O-N 2.88Å; L27-V33 HydrophobicContact CB-CB 4.32Å; L27-V33 PolarHBondContact O-N 3.33Å; L27-V36 HydrophobicContact CB-CG2 4.49Å; L27-V36 HydrophobicContact CD1-CG2 3.59Å
28R94.8Very high93.4Very high130 Ų13065.6 Ų65.649%0.49136%0.355SS..Hα-helixtrans-67.8-50.7175.5-174.7-16766.5-164.9-4.9111.3G24 V25 I26 G32 V33G24-R28 PolarHBondContact O-N 3.33Å; G24-R28 VanDerWaalsContact O-N 3.09Å; V25-R28 PolarHBondContact O-N 3.36Å; I26-R28 VanDerWaalsContact C-N 3.3Å; I26-R28 PolarHBondContact O-N 2.91Å; R28-G32 WeakPolarHBondContact O-CA 3.17Å; R28-G32 PolarHBondContact O-N 3.4Å; R28-V33 WeakPolarHBondContact CA-O 2.82Å
29D95.7Very high93.2Very high98 Ų9866.7 Ų66.752%0.52436%0.36SS..Hα-helixtrans-84.6-38-166.7-63.4-16000112.9V25 I26V25-D29 VanDerWaalsContact CG1-OD2 3.29Å; V25-D29 WeakPolarHBondContact CG1-OD2 3.29Å; V25-D29 WeakPolarHBondContact O-CB 3.27Å; V25-D29 PolarHBondContact O-N 2.99Å; I26-D29 PolarHBondContact O-N 2.89Å
30S93.6Very high93Very high90 Ų9066.3 Ų66.363%0.62936%0.359SS*.Hα-helixtrans-96.9-28.8-176.9-52.10000113.8I26I26-S30 VanDerWaalsContact O-CB 3.32Å; I26-S30 WeakPolarHBondContact O-CB 3.37Å; I26-S30 PolarHBondContact O-N 3.34Å
31F91.7Very high92.8Very high76 Ų7668.3 Ų68.333%0.33338%0.382SS..Hα-helixtrans-111.1-3.5-175.4-64.5-86.4000113.6M1 Q9 I26 L27 V33M1-F31 HydrophobicContact CE-CD1 4.29Å; M1-F31 HydrophobicContact SD-CB 3.77Å; M1-F31 HydrophobicContact SD-CD1 3.78Å; M1-F31 HydrophobicContact SD-CG 4.13Å; Q9-F31 HydrophobicContact CG-CD1 4.46Å; Q9-F31 HydrophobicContact CG-CD2 4.3Å; Q9-F31 HydrophobicContact CG-CE1 4Å; Q9-F31 HydrophobicContact CG-CE2 3.82Å; Q9-F31 HydrophobicContact CG-CZ 3.68Å; I26-F31 HydrophobicContact CG2-CD2 4.3Å; I26-F31 HydrophobicContact CG2-CE2 3.99Å; L27-F31 HydrophobicContact CD2-CD2 4.03Å; L27-F31 HydrophobicContact CD2-CG 4.36Å; L27-F31 CarbonylContact O-C 3.52Å; L27-F31 WeakPolarHBondContact O-CB 3.4Å; L27-F31 PolarHBondContact O-N 2.9Å; F31-V33 HydrophobicContact CB-CG2 4.17Å; F31-V33 PolarHBondContact O-N 3.03Å
32G90Very high92.7Very high64 Ų6468.7 Ų68.766%0.6638%0.379SS*.  trans68.516.2-179.300000114.4L27 R28 A34L27-G32 PolarHBondContact O-N 2.88Å; R28-G32 WeakPolarHBondContact O-CA 3.17Å; R28-G32 PolarHBondContact O-N 3.4Å; G32-A34 PolarHBondContact O-N 3.43Å
33V90.5Very high92.6Very high15 Ų1569.9 Ų69.99%0.09138%0.383CS..  trans-87.493.4-179.9-177.50000109.2M1 V6 L27 R28 F31 Q35 V36 L39M1-V33 HydrophobicContact SD-CG2 3.99Å; V6-V33 HydrophobicContact CG2-CG2 3.94Å; L27-V33 HydrophobicContact CB-CB 4.32Å; L27-V33 PolarHBondContact O-N 3.33Å; R28-V33 WeakPolarHBondContact CA-O 2.82Å; F31-V33 HydrophobicContact CB-CG2 4.17Å; F31-V33 PolarHBondContact O-N 3.03Å; V33-Q35 VanDerWaalsContact C-N 3.34Å; V33-Q35 PolarHBondContact O-N 3.29Å; V33-V36 HydrophobicContact CG1-CG2 4.2Å; V33-L39 HydrophobicContact CG1-CD2 4.04Å; V33-L39 HydrophobicContact CG2-CD2 4.39Å
34A91Very high92.6Very high75 Ų7571.2 Ų71.262%0.6239%0.39SS*.SBendtrans-57.4-43.1-176.600000113.5G32G32-A34 PolarHBondContact O-N 3.43Å
35Q92.7Very high92.6Very high118 Ų11874 Ų7455%0.55140%0.399SS*.  trans-147.1109.1-177.3-73.1-63.5-41.300111V33 R37 W38V33-Q35 VanDerWaalsContact C-N 3.34Å; V33-Q35 PolarHBondContact O-N 3.29Å; Q35-R37 PolarHBondContact O-N 2.95Å; Q35-W38 HydrophobicContact CB-CG 4.25Å; Q35-W38 PolarHBondContact O-N 2.95Å
36V92.3Very high92.5Very high10 Ų1078.1 Ų78.16%0.06141%0.407CS..Hα-helixtrans-59-34.1-179.8177.90000112.6V6 I10 L27 V33 W38 L39 A40 I44 I47V6-V36 HydrophobicContact CG1-CG1 4.25Å; I10-V36 HydrophobicContact CD1-CG1 3.72Å; L27-V36 HydrophobicContact CB-CG2 4.49Å; L27-V36 HydrophobicContact CD1-CG2 3.59Å; V33-V36 HydrophobicContact CG1-CG2 4.2Å; V36-W38 VanDerWaalsContact C-N 3.3Å; V36-W38 PolarHBondContact O-N 3.17Å; V36-L39 PolarHBondContact O-N 2.84Å; V36-A40 HydrophobicContact CG1-CB 4.22Å; V36-A40 PolarHBondContact O-N 3.39Å; V36-I44 HydrophobicContact CB-CD1 4.48Å; V36-I44 HydrophobicContact CB-CG1 4.01Å; V36-I44 HydrophobicContact CG1-CG1 3.96Å; V36-I44 HydrophobicContact CG2-CD1 4Å; V36-I44 HydrophobicContact CG2-CG1 3.98Å; V36-I47 HydrophobicContact CG1-CD1 3.95Å
37R92.8Very high92.4Very high133 Ų13376.1 Ų76.150%0.50240%0.397SS..Hα-helixtrans-57-43.5-178.4178.3-174.8175.3-174.8-3.1112.2Q35 G41 N42Q35-R37 PolarHBondContact O-N 2.95Å; R37-G41 CarbonylContact O-C 3.49Å; R37-G41 VanDerWaalsContact O-CA 3.28Å; R37-G41 WeakPolarHBondContact O-CA 3.33Å; R37-G41 PolarHBondContact O-N 3.48Å; R37-G41 VanDerWaalsContact O-N 3.14Å; R37-N42 WeakPolarHBondContact CA-O 3.36Å
38W91.2Very high92.5Very high189 Ų18976.2 Ų76.272%0.71640%0.397SS*.Hα-helixtrans-74.9-32.7-174.9-57.8132.6000111.8Q35 V36Q35-W38 HydrophobicContact CB-CG 4.25Å; Q35-W38 PolarHBondContact O-N 2.95Å; V36-W38 VanDerWaalsContact C-N 3.3Å; V36-W38 PolarHBondContact O-N 3.17Å
39L89.4Confident92.4Very high72 Ų7275.7 Ų75.738%0.37740%0.398SS..Hα-helixtrans-84.1-48-177.9-173.970.2000112.8V6 V33 V36V6-L39 HydrophobicContact CB-CD2 4.26Å; V6-L39 HydrophobicContact CG2-CD2 3.47Å; V6-L39 VanDerWaalsContact CG2-CD2 3.47Å; V33-L39 HydrophobicContact CG1-CD2 4.04Å; V33-L39 HydrophobicContact CG2-CD2 4.39Å; V36-L39 PolarHBondContact O-N 2.84Å
40A89.2Confident92.2Very high12 Ų1275.4 Ų75.410%0.09940%0.404CS..Hα-helixtrans-93.8-0.2-175.900000113.8V36 N42 I47V36-A40 HydrophobicContact CG1-CB 4.22Å; V36-A40 PolarHBondContact O-N 3.39Å; A40-N42 PolarHBondContact O-N 2.65Å; A40-I47 HydrophobicContact CB-CD1 3.87Å
41G90.2Very high92.1Very high59 Ų5975.3 Ų75.361%0.60839%0.393SS*.SBendtrans70.9-6.5-177.200000115.2R37R37-G41 CarbonylContact O-C 3.49Å; R37-G41 VanDerWaalsContact O-CA 3.28Å; R37-G41 WeakPolarHBondContact O-CA 3.33Å; R37-G41 PolarHBondContact O-N 3.48Å; R37-G41 VanDerWaalsContact O-N 3.14Å
42N92.4Very high92.1Very high74 Ų7475 Ų7540%0.39641%0.41SS..SBendtrans-137.4158.7-175.4-86.6-50.7000112.4R37 A40 I47R37-N42 WeakPolarHBondContact CA-O 3.36Å; A40-N42 PolarHBondContact O-N 2.65Å; N42-I47 HydrophobicContact CB-CD1 4.24Å; N42-I47 HydrophobicContact CB-CG1 3.81Å
43K94.3Very high92.2Very high116 Ų11674.5 Ų74.550%0.50439%0.393SS..  trans-77.1150174.1-61.9-173.7179-173.60110.4L45 R46 I47K43-L45 VanDerWaalsContact C-N 3.31Å; K43-L45 PolarHBondContact O-N 2.98Å; K43-R46 WeakPolarHBondContact O-CA 3.42Å; K43-R46 WeakPolarHBondContact O-CB 3.31Å; K43-R46 PolarHBondContact O-N 3.25Å; K43-I47 PolarHBondContact O-N 3.21Å; K43-I47 VanDerWaalsContact O-N 3.08Å
44I93.9Very high92.1Very high27 Ų2775 Ų7514%0.13840%0.398CS..Hα-helixtrans-48-50.4-180-61.6172.7000111.8I10 P20 I23 V36 R46 I47 L48I10-I44 HydrophobicContact CD1-CG1 4.49Å; I10-I44 HydrophobicContact CG2-CG2 4.23Å; P20-I44 HydrophobicContact CB-CG2 4.19Å; I23-I44 HydrophobicContact CG2-CG2 4.24Å; V36-I44 HydrophobicContact CB-CD1 4.48Å; V36-I44 HydrophobicContact CB-CG1 4.01Å; V36-I44 HydrophobicContact CG1-CG1 3.96Å; V36-I44 HydrophobicContact CG2-CD1 4Å; V36-I44 HydrophobicContact CG2-CG1 3.98Å; I44-R46 VanDerWaalsContact C-N 3.27Å; I44-R46 PolarHBondContact O-N 3.09Å; I44-I47 WeakPolarHBondContact O-CB 3.46Å; I44-I47 PolarHBondContact O-N 2.93Å; I44-I47 VanDerWaalsContact O-N 3.15Å; I44-L48 HydrophobicContact CG2-CD1 4.08Å; I44-L48 HydrophobicContact CG2-CG 4.43Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 3.21Å
45L94Very high92Very high81 Ų8174.4 Ų74.442%0.42439%0.388SS..Hα-helixtrans-60.7-33.7-179.9-171.967.1000113.2P20 K43 K49P20-L45 HydrophobicContact CG-CD1 4.2Å; K43-L45 VanDerWaalsContact C-N 3.31Å; K43-L45 PolarHBondContact O-N 2.98Å; L45-K49 VanDerWaalsContact O-CG 3.31Å; L45-K49 WeakPolarHBondContact O-CG 3.2Å; L45-K49 PolarHBondContact O-N 3.49Å
46R93.8Very high91.7Very high155 Ų15576 Ų7659%0.58540%0.401SS*.Hα-helixtrans-72.4-40.3177-67.5-175.7179.2175.9-3.7111.4K43 I44 L48 K49 S50K43-R46 WeakPolarHBondContact O-CA 3.42Å; K43-R46 WeakPolarHBondContact O-CB 3.31Å; K43-R46 PolarHBondContact O-N 3.25Å; I44-R46 VanDerWaalsContact C-N 3.27Å; I44-R46 PolarHBondContact O-N 3.09Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 3.19Å; R46-K49 PolarHBondContact O-N 2.9Å; R46-S50 PolarHBondContact O-N 3.29Å; R46-S50 PolarHBondContact O-OG 3.45Å
47I93.9Very high91.5Very high4 Ų477.2 Ų77.22%0.02141%0.406CS..Hα-helixtrans-61-43.3175.6-62.9167.7000110K7 I10 Y11 V36 A40 N42 K43 I44 S50K7-I47 HydrophobicContact CB-CG2 4.41Å; K7-I47 HydrophobicContact CG-CG2 4.11Å; I10-I47 HydrophobicContact CD1-CD1 3.83Å; I10-I47 HydrophobicContact CD1-CG2 4.36Å; I10-I47 HydrophobicContact CG2-CG2 4.23Å; Y11-I47 HydrophobicContact CE1-CG2 3.64Å; Y11-I47 WeakPolarHBondContact CE1-O 3.48Å; V36-I47 HydrophobicContact CG1-CD1 3.95Å; A40-I47 HydrophobicContact CB-CD1 3.87Å; N42-I47 HydrophobicContact CB-CD1 4.24Å; N42-I47 HydrophobicContact CB-CG1 3.81Å; K43-I47 PolarHBondContact O-N 3.21Å; K43-I47 VanDerWaalsContact O-N 3.08Å; I44-I47 WeakPolarHBondContact O-CB 3.46Å; I44-I47 PolarHBondContact O-N 2.93Å; I44-I47 VanDerWaalsContact O-N 3.15Å; I47-S50 PolarHBondContact O-N 3.26Å; I47-S50 PolarHBondContact O-OG 3.14Å
48L94.5Very high91.5Very high2 Ų271.6 Ų71.61%0.0139%0.387CS..Hα-helixtrans-63.9-42.4175.3-67.2175.7000112.4I10 Y11 A14 P20 I23 I44 R46 S50 K51 G52 L53 A54I10-L48 HydrophobicContact CG2-CD2 3.6Å; I10-L48 HydrophobicContact CG2-CG 4.04Å; Y11-L48 HydrophobicContact CD1-CD2 4.41Å; A14-L48 HydrophobicContact CB-CD2 3.39Å; P20-L48 HydrophobicContact CB-CD1 4.48Å; P20-L48 HydrophobicContact CG-CD1 4.01Å; I23-L48 HydrophobicContact CD1-CD1 4.31Å; I44-L48 HydrophobicContact CG2-CD1 4.08Å; I44-L48 HydrophobicContact CG2-CG 4.43Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 3.21Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 3.19Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 3.39Å; L48-K51 PolarHBondContact O-N 3.28Å; L48-G52 PolarHBondContact O-N 3.27Å; L48-L53 HydrophobicContact CD2-CB 4.14Å; L48-L53 PolarHBondContact O-N 3.24Å; L48-A54 HydrophobicContact CB-CB 4.27Å
49K93.3Very high91.6Very high119 Ų11964.8 Ų64.852%0.51736%0.363SS..Hα-helixtrans-60.6-40.7176.2-77.4-177.2178.9-160.30112.6L45 R46 K51 G52 A54L45-K49 VanDerWaalsContact O-CG 3.31Å; L45-K49 WeakPolarHBondContact O-CG 3.2Å; L45-K49 PolarHBondContact O-N 3.49Å; R46-K49 PolarHBondContact O-N 2.9Å; K49-K51 PolarHBondContact O-N 3.4Å; K49-G52 PolarHBondContact O-N 3.49Å; K49-G52 VanDerWaalsContact O-N 3.13Å; K49-A54 HydrophobicContact CB-CB 4.38Å; K49-A54 HydrophobicContact CG-CB 3.52Å
50S92.1Very high91.9Very high93 Ų9364.2 Ų64.265%0.6536%0.36SS*.Hα-helixtrans-63.9-25179.347.50000113.9R46 I47 L48R46-S50 PolarHBondContact O-N 3.29Å; R46-S50 PolarHBondContact O-OG 3.45Å; I47-S50 PolarHBondContact O-N 3.26Å; I47-S50 PolarHBondContact O-OG 3.14Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 3.39Å
51K91.7Very high92.1Very high88 Ų8863.7 Ų63.738%0.38336%0.356SS..THydrogen-bonded Turntrans-101.65.8176.5-158.8163.9-174.3169.10113.2E8 Y11 L48 K49 L53E8-K51 IonicContact OE1-NZ 3.82Å; E8-K51 PolarHBondContact OE1-NZ 3.31Å; E8-K51 IonicContact OE2-NZ 2.99Å; Y11-K51 HydrophobicContact CD1-CB 4.07Å; Y11-K51 HydrophobicContact CD1-CD 3.49Å; Y11-K51 VanDerWaalsContact CD1-CD 3.49Å; Y11-K51 HydrophobicContact CD1-CG 4.34Å; Y11-K51 HydrophobicContact CD2-CD 3.37Å; Y11-K51 HydrophobicContact CE1-CB 3.55Å; Y11-K51 HydrophobicContact CE1-CD 3.47Å; Y11-K51 VanDerWaalsContact CE1-CD 3.47Å; Y11-K51 HydrophobicContact CE1-CG 4.13Å; Y11-K51 HydrophobicContact CE2-CD 3.38Å; Y11-K51 HydrophobicContact CG-CD 3.43Å; Y11-K51 VanDerWaalsContact CG-CD 3.43Å; Y11-K51 VanDerWaalsContact CZ-CD 3.42Å; L48-K51 PolarHBondContact O-N 3.28Å; K49-K51 PolarHBondContact O-N 3.4Å; K51-L53 VanDerWaalsContact C-N 3.25Å; K51-L53 HydrophobicContact CB-CD1 4.31Å; K51-L53 HydrophobicContact CB-CG 4.42Å; K51-L53 HydrophobicContact CD-CD1 4.14Å; K51-L53 HydrophobicContact CG-CD1 4.14Å; K51-L53 HydrophobicContact CG-CG 4.45Å; K51-L53 PolarHBondContact O-N 2.99Å
52G91.4Very high92.2Very high68 Ų6864.2 Ų64.270%0.70134%0.34SS*.THydrogen-bonded Turntrans67.920.5-177.400000114.6L48 K49L48-G52 PolarHBondContact O-N 3.27Å; K49-G52 PolarHBondContact O-N 3.49Å; K49-G52 VanDerWaalsContact O-N 3.13Å
53L91.3Very high92.3Very high55 Ų5564.8 Ų64.829%0.28834%0.34SS..  trans-103.916.3-178.8-64.8172.9000112.5Y11 K15 L48 K51Y11-L53 HydrophobicContact CD1-CD1 3.87Å; Y11-L53 HydrophobicContact CG-CD1 4.26Å; K15-L53 HydrophobicContact CG-CD1 4.42Å; K15-L53 HydrophobicContact CG-CD2 4.32Å; L48-L53 HydrophobicContact CD2-CB 4.14Å; L48-L53 PolarHBondContact O-N 3.24Å; K51-L53 VanDerWaalsContact C-N 3.25Å; K51-L53 HydrophobicContact CB-CD1 4.31Å; K51-L53 HydrophobicContact CB-CG 4.42Å; K51-L53 HydrophobicContact CD-CD1 4.14Å; K51-L53 HydrophobicContact CG-CD1 4.14Å; K51-L53 HydrophobicContact CG-CG 4.45Å; K51-L53 PolarHBondContact O-N 2.99Å
54A88.9Confident92.3Very high26 Ų2660 Ų6022%0.21532%0.32CS..SBendtrans-80.2143.5178.600000110.4L48 K49L48-A54 HydrophobicContact CB-CB 4.27Å; K49-A54 HydrophobicContact CB-CB 4.38Å; K49-A54 HydrophobicContact CG-CB 3.52Å
55P88.4Confident92.3Very high62 Ų6259 Ų5940%0.40332%0.315SS..  trans-66.5139.1174.328.7-34.5000110.5I57P55-I57 VanDerWaalsContact C-N 3.35Å
56D86.5Confident92.3Very high152 Ų15260 Ų6081%0.81332%0.316SS*.SBendtrans-63.1-42.7179.2-64.7-43.7000111.7
57I89Confident92.4Very high35 Ų3558 Ų5818%0.17931%0.312CS..SBendtrans-93.6130.6175.3-56.7176.9000108.6P55 E59 L61 L122P55-I57 VanDerWaalsContact C-N 3.35Å; I57-E59 PolarHBondContact O-N 3.15Å; I57-L61 HydrophobicContact CG2-CB 4.2Å; I57-L61 HydrophobicContact CG2-CD2 4.12Å; I57-L61 HydrophobicContact CG2-CG 4.22Å; I57-L122 HydrophobicContact CD1-CB 4.41Å; I57-L122 HydrophobicContact CD1-CD2 4.49Å
58P93.2Very high92.4Very high15 Ų1557.9 Ų57.910%0.09731%0.311CS..  trans-52.9135.8172.7-28.436.5000112.6D60 L61 Y62 Y102 V107P58-D60 VanDerWaalsContact C-N 3.29Å; P58-D60 WeakPolarHBondContact CB-OD1 3.35Å; P58-D60 PolarHBondContact O-N 2.82Å; P58-L61 HydrophobicContact CB-CB 4.35Å; P58-L61 PolarHBondContact O-N 3.41Å; P58-L61 VanDerWaalsContact O-N 3.09Å; P58-Y62 PolarHBondContact O-N 3.17Å; P58-Y102 HydrophobicContact CB-CD1 4.36Å; P58-Y102 HydrophobicContact CB-CD2 4.21Å; P58-Y102 HydrophobicContact CB-CE1 3.86Å; P58-Y102 HydrophobicContact CB-CE2 3.71Å; P58-Y102 HydrophobicContact CG-CD1 3.7Å; P58-Y102 HydrophobicContact CG-CD2 3.96Å; P58-Y102 HydrophobicContact CG-CE1 3.66Å; P58-Y102 HydrophobicContact CG-CE2 3.94Å; P58-Y102 HydrophobicContact CG-CG 3.85Å; P58-V107 HydrophobicContact CG-CG1 3.78Å
59E93.1Very high92.4Very high45 Ų4559.7 Ų59.721%0.2132%0.322CS..Hα-helixtrans-53.6-43.6-174.5178.5-178.4-176.900112.9S19 P20 S21 I57 Y62 Q63S19-E59 VanDerWaalsContact CB-CD 3.49Å; S19-E59 WeakPolarHBondContact CB-OE1 3.38Å; S19-E59 PolarHBondContact OG-OE1 3.15Å; P20-E59 WeakPolarHBondContact CD-OE2 3.28Å; S21-E59 VanDerWaalsContact CB-OE1 3.28Å; S21-E59 WeakPolarHBondContact CB-OE1 3.26Å; S21-E59 PolarHBondContact N-OE2 3.15Å; S21-E59 PolarHBondContact OG-OE1 3.41Å; I57-E59 PolarHBondContact O-N 3.15Å; E59-Y62 PolarHBondContact O-N 2.91Å; E59-Q63 HydrophobicContact CG-CG 4.45Å; E59-Q63 VanDerWaalsContact O-CG 3.26Å; E59-Q63 WeakPolarHBondContact O-CG 3.35Å; E59-Q63 PolarHBondContact O-N 3.39Å
60D94.5Very high92.5Very high61 Ų6156.9 Ų56.933%0.32632%0.321SS..Hα-helixtrans-63.9-42.2179.661.4-30.2000112.4P58 L64 L98 Y102P58-D60 VanDerWaalsContact C-N 3.29Å; P58-D60 WeakPolarHBondContact CB-OD1 3.35Å; P58-D60 PolarHBondContact O-N 2.82Å; D60-L64 WeakPolarHBondContact O-CG 3.49Å; D60-L64 PolarHBondContact O-N 3.09Å; D60-L64 VanDerWaalsContact O-N 3.12Å; D60-L98 HydrophobicContact CB-CD1 4.41Å; D60-L98 WeakPolarHBondContact OD2-CD1 3.47Å; D60-Y102 VanDerWaalsContact CG-OH 3.31Å; D60-Y102 WeakPolarHBondContact OD1-CE2 3.44Å; D60-Y102 PolarHBondContact OD1-OH 3.48Å; D60-Y102 WeakPolarHBondContact OD2-CE2 3.5Å; D60-Y102 PolarHBondContact OD2-OH 3.03Å
61L93.3Very high92.6Very high0 Ų053.6 Ų53.60%030%0.296CS..Hα-helixtrans-66.1-45.3174.3-175.162000111I57 P58 Q63 L64 V65 I95 L98 L108 W112I57-L61 HydrophobicContact CG2-CB 4.2Å; I57-L61 HydrophobicContact CG2-CD2 4.12Å; I57-L61 HydrophobicContact CG2-CG 4.22Å; P58-L61 HydrophobicContact CB-CB 4.35Å; P58-L61 PolarHBondContact O-N 3.41Å; P58-L61 VanDerWaalsContact O-N 3.09Å; L61-Q63 VanDerWaalsContact C-N 3.35Å; L61-Q63 PolarHBondContact O-N 2.89Å; L61-L64 PolarHBondContact O-N 2.96Å; L61-V65 HydrophobicContact CD1-CG2 4.35Å; L61-V65 HydrophobicContact CG-CG2 4.46Å; L61-V65 VanDerWaalsContact O-CG2 3.29Å; L61-V65 WeakPolarHBondContact O-CG2 3.36Å; L61-V65 PolarHBondContact O-N 2.97Å; L61-I95 HydrophobicContact CD1-CB 4.49Å; L61-I95 HydrophobicContact CD1-CG2 3.88Å; L61-L98 HydrophobicContact CD1-CB 4.23Å; L61-L108 HydrophobicContact CD2-CD1 3.44Å; L61-L108 VanDerWaalsContact CD2-CD1 3.44Å; L61-L108 HydrophobicContact CD2-CD2 4.5Å; L61-W112 HydrophobicContact CD1-CH2 4.27Å; L61-W112 HydrophobicContact CD2-CH2 3.85Å; L61-W112 HydrophobicContact CD2-CZ2 3.93Å; L61-W112 HydrophobicContact CD2-CZ3 4.39Å; L61-W112 HydrophobicContact CG-CH2 4.34Å
62Y93.1Very high92.7Very high70 Ų7052.9 Ų52.928%0.27529%0.291SS..Hα-helixtrans-56-47.5176.4176.9-89.1000111.4P58 E59 L64 V65 K66 I123P58-Y62 PolarHBondContact O-N 3.17Å; E59-Y62 PolarHBondContact O-N 2.91Å; Y62-L64 PolarHBondContact O-N 3.33Å; Y62-V65 PolarHBondContact O-N 3.44Å; Y62-K66 HydrophobicContact CE1-CD 4.25Å; Y62-K66 WeakPolarHBondContact O-CB 3.5Å; Y62-K66 PolarHBondContact O-N 3.44Å; Y62-I123 HydrophobicContact CE1-CG2 4.39Å; Y62-I123 HydrophobicContact CE2-CB 4.18Å; Y62-I123 HydrophobicContact CE2-CG2 3.82Å; Y62-I123 WeakPolarHBondContact CE2-O 3.29Å; Y62-I123 VanDerWaalsContact OH-CG2 3.3Å; Y62-I123 WeakPolarHBondContact OH-CG2 3.45Å; Y62-I123 PolarHBondContact OH-O 3.33Å
63Q94.4Very high92.8Very high86 Ų8656.7 Ų56.740%0.40229%0.288SS..Hα-helixtrans-66.5-36.3179.6-66.8-60.4-16.800113E59 L61 K67E59-Q63 HydrophobicContact CG-CG 4.45Å; E59-Q63 VanDerWaalsContact O-CG 3.26Å; E59-Q63 WeakPolarHBondContact O-CG 3.35Å; E59-Q63 PolarHBondContact O-N 3.39Å; L61-Q63 VanDerWaalsContact C-N 3.35Å; L61-Q63 PolarHBondContact O-N 2.89Å; Q63-K67 WeakPolarHBondContact O-CB 3.29Å; Q63-K67 PolarHBondContact O-N 3.26Å
64L94.8Very high93Very high17 Ų1757.3 Ų57.39%0.08929%0.289CS..Hα-helixtrans-67.9-41.9174.5-73.5-177.6000112.1D60 L61 Y62 K67 A68 V91 R94 I95 L98D60-L64 WeakPolarHBondContact O-CG 3.49Å; D60-L64 PolarHBondContact O-N 3.09Å; D60-L64 VanDerWaalsContact O-N 3.12Å; L61-L64 PolarHBondContact O-N 2.96Å; Y62-L64 PolarHBondContact O-N 3.33Å; L64-K67 WeakPolarHBondContact O-CB 3.46Å; L64-K67 PolarHBondContact O-N 3.27Å; L64-A68 PolarHBondContact O-N 3.41Å; L64-V91 HydrophobicContact CD2-CG1 4.49Å; L64-R94 HydrophobicContact CD1-CB 3.89Å; L64-I95 HydrophobicContact CB-CD1 4.27Å; L64-I95 HydrophobicContact CB-CG1 3.63Å; L64-I95 HydrophobicContact CD1-CG1 4.33Å; L64-L98 HydrophobicContact CD1-CD1 3.5Å; L64-L98 HydrophobicContact CD1-CG 4.4Å
65V93.9Very high93.3Very high4 Ų457.4 Ų57.42%0.02429%0.286CS..Hα-helixtrans-63.1-44.4176.5174.40000110L61 Y62 K67 A68 V69 I95 Y114 A119 I123L61-V65 HydrophobicContact CD1-CG2 4.35Å; L61-V65 HydrophobicContact CG-CG2 4.46Å; L61-V65 VanDerWaalsContact O-CG2 3.29Å; L61-V65 WeakPolarHBondContact O-CG2 3.36Å; L61-V65 PolarHBondContact O-N 2.97Å; Y62-V65 PolarHBondContact O-N 3.44Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 3.33Å; V65-A68 PolarHBondContact O-N 2.95Å; V65-A68 VanDerWaalsContact O-N 3.15Å; V65-V69 WeakPolarHBondContact O-CG2 3.47Å; V65-V69 PolarHBondContact O-N 2.91Å; V65-I95 HydrophobicContact CG2-CD1 3.98Å; V65-I95 HydrophobicContact CG2-CG1 4.28Å; V65-I95 HydrophobicContact CG2-CG2 4.13Å; V65-Y114 HydrophobicContact CB-CE2 4.49Å; V65-Y114 HydrophobicContact CG1-CD2 4.48Å; V65-Y114 HydrophobicContact CG1-CE2 4.01Å; V65-Y114 HydrophobicContact CG2-CD2 4Å; V65-Y114 HydrophobicContact CG2-CE2 4Å; V65-A119 HydrophobicContact CG1-CB 4.22Å; V65-I123 HydrophobicContact CB-CG1 4.47Å; V65-I123 HydrophobicContact CG1-CD1 3.79Å; V65-I123 HydrophobicContact CG1-CG1 3.78Å
66K93.6Very high93.5Very high103 Ų10357.8 Ų57.845%0.44830%0.302SS..Hα-helixtrans-56-44.6172.5-172.8173.9-176.8173.30112.7Y62 V69 A70 I123Y62-K66 HydrophobicContact CE1-CD 4.25Å; Y62-K66 WeakPolarHBondContact O-CB 3.5Å; Y62-K66 PolarHBondContact O-N 3.44Å; K66-V69 PolarHBondContact O-N 2.89Å; K66-A70 PolarHBondContact O-N 3.44Å; K66-A70 VanDerWaalsContact O-N 3.09Å; K66-I123 HydrophobicContact CB-CD1 4.23Å; K66-I123 HydrophobicContact CB-CG1 4.46Å; K66-I123 HydrophobicContact CB-CG2 4.2Å; K66-I123 HydrophobicContact CD-CG2 4.35Å; K66-I123 HydrophobicContact CG-CG2 4.17Å
67K94.9Very high93.9Very high114 Ų11460 Ų6050%0.49630%0.299SS..Hα-helixtrans-63.1-43.8175.4-174.3172.9-176.7171.80112.1Q63 L64 V65 A70 I71 V91Q63-K67 WeakPolarHBondContact O-CB 3.29Å; Q63-K67 PolarHBondContact O-N 3.26Å; L64-K67 WeakPolarHBondContact O-CB 3.46Å; L64-K67 PolarHBondContact O-N 3.27Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 3.33Å; K67-A70 PolarHBondContact O-N 3.09Å; K67-I71 HydrophobicContact CG-CD1 4.02Å; K67-I71 WeakPolarHBondContact O-CG1 3.41Å; K67-I71 PolarHBondContact O-N 3.45Å; K67-V91 HydrophobicContact CD-CG2 4.17Å; K67-V91 HydrophobicContact CG-CG2 4.48Å
68A95.4Very high94.2Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-62.8-42.7178.600000112.1L64 V65 A70 I71 R72 L88 V91 I95 Y114L64-A68 PolarHBondContact O-N 3.41Å; V65-A68 PolarHBondContact O-N 2.95Å; V65-A68 VanDerWaalsContact O-N 3.15Å; A68-A70 VanDerWaalsContact C-N 3.35Å; A68-A70 PolarHBondContact O-N 2.97Å; A68-I71 PolarHBondContact O-N 3.35Å; A68-R72 WeakPolarHBondContact O-CB 3.33Å; A68-R72 WeakPolarHBondContact O-CG 3.41Å; A68-R72 PolarHBondContact O-N 2.77Å; A68-L88 HydrophobicContact CB-CD1 4.23Å; A68-V91 HydrophobicContact CB-CG1 3.92Å; A68-I95 HydrophobicContact CB-CD1 3.79Å; A68-Y114 WeakPolarHBondContact CB-OH 3.32Å
69V94.6Very high94.3Very high40 Ų4065.6 Ų65.624%0.24234%0.34CS..Hα-helixtrans-62.3-41.4176.1171.80000111.4V65 K66 R72 K73 A119 I123V65-V69 WeakPolarHBondContact O-CG2 3.47Å; V65-V69 PolarHBondContact O-N 2.91Å; K66-V69 PolarHBondContact O-N 2.89Å; V69-R72 PolarHBondContact O-N 2.92Å; V69-K73 PolarHBondContact O-N 3.2Å; V69-A119 HydrophobicContact CG2-CB 3.62Å; V69-I123 HydrophobicContact CB-CD1 3.88Å; V69-I123 HydrophobicContact CG1-CD1 4.42Å; V69-I123 HydrophobicContact CG2-CD1 3.49Å; V69-I123 VanDerWaalsContact CG2-CD1 3.49Å
70A94Very high94.5Very high60 Ų6073.1 Ų73.150%0.49637%0.372SS..Hα-helixtrans-62.2-44.9175.600000112.5K66 K67 A68 R72 K73 H74K66-A70 PolarHBondContact O-N 3.44Å; K66-A70 VanDerWaalsContact O-N 3.09Å; K67-A70 PolarHBondContact O-N 3.09Å; A68-A70 VanDerWaalsContact C-N 3.35Å; A68-A70 PolarHBondContact O-N 2.97Å; A70-R72 VanDerWaalsContact C-N 3.35Å; A70-R72 PolarHBondContact O-N 3.48Å; A70-K73 PolarHBondContact O-N 2.86Å; A70-H74 PolarHBondContact O-N 2.95Å
71I94.8Very high94.6Very high25 Ų2572.5 Ų72.513%0.12837%0.369CS..Hα-helixtrans-64-40.8177.7-63.9166.1000110.7K67 A68 H74 L75 S84 L88 V91K67-I71 HydrophobicContact CG-CD1 4.02Å; K67-I71 WeakPolarHBondContact O-CG1 3.41Å; K67-I71 PolarHBondContact O-N 3.45Å; A68-I71 PolarHBondContact O-N 3.35Å; I71-H74 WeakPolarHBondContact O-CB 3.45Å; I71-H74 PolarHBondContact O-N 3.18Å; I71-L75 HydrophobicContact CG2-CD1 3.95Å; I71-L75 HydrophobicContact CG2-CG 4.35Å; I71-L75 WeakPolarHBondContact O-CG 3.26Å; I71-L75 PolarHBondContact O-N 3.36Å; I71-S84 WeakPolarHBondContact CG2-O 3.49Å; I71-L88 HydrophobicContact CB-CD1 4.27Å; I71-L88 HydrophobicContact CG2-CB 3.78Å; I71-L88 HydrophobicContact CG2-CD1 4.19Å; I71-L88 HydrophobicContact CG2-CG 4.44Å; I71-V91 HydrophobicContact CD1-CG2 4.06Å
72R93.1Very high94.7Very high72 Ų7281.1 Ų81.127%0.27241%0.406SS..Hα-helixtrans-62.5-43175.8-77.4163.1163.5-104.2-7.6112.4A68 V69 A70 H74 L75 G76 L88 E92 S116A68-R72 WeakPolarHBondContact O-CB 3.33Å; A68-R72 WeakPolarHBondContact O-CG 3.41Å; A68-R72 PolarHBondContact O-N 2.77Å; V69-R72 PolarHBondContact O-N 2.92Å; A70-R72 VanDerWaalsContact C-N 3.35Å; A70-R72 PolarHBondContact O-N 3.48Å; R72-H74 VanDerWaalsContact C-N 3.29Å; R72-H74 PolarHBondContact O-N 3.48Å; R72-L75 PolarHBondContact O-N 3.12Å; R72-G76 PolarHBondContact O-N 2.6Å; R72-L88 HydrophobicContact CG-CD1 3.85Å; R72-L88 HydrophobicContact CG-CD2 3.71Å; R72-L88 HydrophobicContact CG-CG 4.46Å; R72-E92 IonicContact CZ-OE1 3.75Å; R72-E92 VanDerWaalsContact CZ-OE1 3.22Å; R72-E92 IonicContact NE-OE1 2.91Å; R72-E92 PolarHBondContact NE-OE1 3.26Å; R72-E92 IonicContact NH2-OE1 3.22Å; R72-E92 PolarHBondContact NH2-OE1 2.96Å; R72-S116 VanDerWaalsContact CZ-CA 3.44Å; R72-S116 VanDerWaalsContact CZ-CB 3.42Å; R72-S116 VanDerWaalsContact NH1-C 3.3Å; R72-S116 PolarHBondContact NH1-O 3.43Å; R72-S116 PolarHBondContact NH1-OG 3.06Å; R72-S116 PolarHBondContact NH2-OG 3.33Å
73K93.3Very high94.9Very high148 Ų14881.4 Ų81.464%0.64341%0.413SS*.Hα-helixtrans-60.4-39.2174.9-175.8175.9178.5177.50111.9V69 A70V69-K73 PolarHBondContact O-N 3.2Å; A70-K73 PolarHBondContact O-N 2.86Å
74H95.6Very high95Very high68 Ų6878.2 Ų78.232%0.31540%0.4SS..Hα-helixtrans-65-49.7173.8171.972.3000112.1A70 I71 R72 G76 R77 N78 D81 S84A70-H74 PolarHBondContact O-N 2.95Å; I71-H74 WeakPolarHBondContact O-CB 3.45Å; I71-H74 PolarHBondContact O-N 3.18Å; R72-H74 VanDerWaalsContact C-N 3.29Å; R72-H74 PolarHBondContact O-N 3.48Å; H74-G76 PolarHBondContact O-N 3.1Å; H74-R77 PolarHBondContact O-N 3.08Å; H74-N78 PolarHBondContact CE1-ND2 3.45Å; H74-N78 PolarHBondContact ND1-ND2 3.42Å; H74-N78 VanDerWaalsContact ND1-ND2 3.11Å; H74-N78 PolarHBondContact O-N 3.19Å; H74-D81 IonicContact CD2-OD2 3.66Å; H74-D81 IonicContact CE1-OD2 3.89Å; H74-D81 IonicContact NE2-OD2 2.82Å; H74-D81 PolarHBondContact NE2-OD2 2.95Å; H74-S84 PolarHBondContact CD2-OG 2.9Å; H74-S84 PolarHBondContact NE2-OG 2.88Å
75L94.8Very high95.1Very high28 Ų2883.8 Ų83.815%0.14742%0.423CS..Hα-helixtrans-64.1-27.7179.6-72.4172.9000113.3I71 R72 R77 N78 A79 D81 K85 L88I71-L75 HydrophobicContact CG2-CD1 3.95Å; I71-L75 HydrophobicContact CG2-CG 4.35Å; I71-L75 WeakPolarHBondContact O-CG 3.26Å; I71-L75 PolarHBondContact O-N 3.36Å; R72-L75 PolarHBondContact O-N 3.12Å; L75-R77 PolarHBondContact O-N 2.52Å; L75-N78 CarbonylContact O-C 3.48Å; L75-N78 PolarHBondContact O-N 3.39Å; L75-A79 PolarHBondContact O-N 2.91Å; L75-D81 HydrophobicContact CD2-CB 4.23Å; L75-D81 WeakPolarHBondContact CD2-O 3.13Å; L75-K85 HydrophobicContact CD1-CB 4.29Å; L75-K85 HydrophobicContact CD2-CB 4.29Å; L75-L88 HydrophobicContact CD1-CB 4.22Å; L75-L88 HydrophobicContact CD1-CD2 3.82Å
76G93.3Very high95.2Very high71 Ų7189.4 Ų89.473%0.73245%0.448SS*.Hα-helixtrans-63.2-24.9172.200000113.7R72 H74R72-G76 PolarHBondContact O-N 2.6Å; H74-G76 PolarHBondContact O-N 3.1Å
77R95.7Very high95.4Very high199 Ų19991.1 Ų91.175%0.75145%0.451SS*.Hα-helixtrans-97.4-34.7173.6-61.7178.9-179.9-176.7-4.5112.2H74 L75H74-R77 PolarHBondContact O-N 3.08Å; L75-R77 PolarHBondContact O-N 2.52Å
78N95.8Very high95.5Very high78 Ų7886.7 Ų86.742%0.41743%0.433SS..  trans-119.263.9-170.9-62.8-55.5000111.5H74 L75 K80 D81H74-N78 PolarHBondContact CE1-ND2 3.45Å; H74-N78 PolarHBondContact ND1-ND2 3.42Å; H74-N78 VanDerWaalsContact ND1-ND2 3.11Å; H74-N78 PolarHBondContact O-N 3.19Å; L75-N78 CarbonylContact O-C 3.48Å; L75-N78 PolarHBondContact O-N 3.39Å; N78-K80 PolarHBondContact O-N 3.02Å; N78-K80 VanDerWaalsContact O-N 3.1Å; N78-D81 HydrophobicContact CB-CB 4.44Å; N78-D81 WeakPolarHBondContact O-CB 3.28Å; N78-D81 PolarHBondContact O-N 2.97Å; N78-D81 VanDerWaalsContact O-N 3.12Å
79A94Very high95.5Very high88 Ų8891 Ų9173%0.72746%0.455SS*.THydrogen-bonded Turntrans-63.1-20.4-173.300000114.7L75 D81L75-A79 PolarHBondContact O-N 2.91Å; A79-D81 VanDerWaalsContact C-N 3.33Å
80K96.6Very high95.7Very high203 Ų20393.1 Ų93.188%0.88347%0.465SS*.THydrogen-bonded Turntrans-81.1-9.5179.1-66.4-177.5179.3178.50113.7N78 K82N78-K80 PolarHBondContact O-N 3.02Å; N78-K80 VanDerWaalsContact O-N 3.1Å; K80-K82 PolarHBondContact O-N 3.32Å
81D96.9Very high95.8Very high48 Ų4890.7 Ų90.726%0.25744%0.443SS..  trans-73.895.6180-175.1-10.4000111.2H74 L75 N78 A79 D83 S84 K85H74-D81 IonicContact CD2-OD2 3.66Å; H74-D81 IonicContact CE1-OD2 3.89Å; H74-D81 IonicContact NE2-OD2 2.82Å; H74-D81 PolarHBondContact NE2-OD2 2.95Å; L75-D81 HydrophobicContact CD2-CB 4.23Å; L75-D81 WeakPolarHBondContact CD2-O 3.13Å; N78-D81 HydrophobicContact CB-CB 4.44Å; N78-D81 WeakPolarHBondContact O-CB 3.28Å; N78-D81 PolarHBondContact O-N 2.97Å; N78-D81 VanDerWaalsContact O-N 3.12Å; A79-D81 VanDerWaalsContact C-N 3.33Å; D81-D83 PolarHBondContact OD1-N 3.26Å; D81-S84 VanDerWaalsContact CG-CB 3.42Å; D81-S84 VanDerWaalsContact CG-OG 3.29Å; D81-S84 PolarHBondContact OD1-N 3.43Å; D81-S84 WeakPolarHBondContact OD2-CB 3.36Å; D81-S84 PolarHBondContact OD2-OG 3.34Å; D81-K85 PolarHBondContact O-N 3.4Å
82K96.7Very high95.8Very high181 Ų18191.2 Ų91.279%0.78745%0.445SS*.Hα-helixtrans-70.3-33.7-179.8-64.6-178.1-179.1178.20112.8K80 K85 F86K80-K82 PolarHBondContact O-N 3.32Å; K82-K85 PolarHBondContact O-N 3.19Å; K82-F86 PolarHBondContact O-N 3.41Å
83D97Very high96Very high77 Ų7790.3 Ų90.341%0.41245%0.45SS..Hα-helixtrans-70.2-46.5-179.117756.7000110.4D81 K85 F86 R87D81-D83 PolarHBondContact OD1-N 3.26Å; D83-K85 VanDerWaalsContact C-N 3.27Å; D83-K85 PolarHBondContact O-N 3.3Å; D83-F86 PolarHBondContact O-N 3.02Å; D83-F86 VanDerWaalsContact O-N 3.16Å; D83-R87 WeakPolarHBondContact O-CB 3.43Å; D83-R87 WeakPolarHBondContact O-CG 3.45Å; D83-R87 PolarHBondContact O-N 3.36Å; D83-R87 IonicContact OD1-CZ 3.05Å; D83-R87 IonicContact OD1-NE 2.87Å; D83-R87 PolarHBondContact OD1-NE 3.46Å; D83-R87 IonicContact OD1-NH2 3.56Å; D83-R87 IonicContact OD2-CZ 3.73Å; D83-R87 IonicContact OD2-NE 2.94Å; D83-R87 PolarHBondContact OD2-NE 3.38Å; D83-R87 IonicContact OD2-NH1 2.67Å; D83-R87 IonicContact OD2-NH2 3.22Å; D83-R87 PolarHBondContact OD2-NH2 2.8Å
84S96.5Very high96.1Very high19 Ų1989.9 Ų89.913%0.13344%0.444CS..Hα-helixtrans-61.1-36.7174.6-70.80000112.2I71 H74 D81 R87 L88I71-S84 WeakPolarHBondContact CG2-O 3.49Å; H74-S84 PolarHBondContact CD2-OG 2.9Å; H74-S84 PolarHBondContact NE2-OG 2.88Å; D81-S84 VanDerWaalsContact CG-CB 3.42Å; D81-S84 VanDerWaalsContact CG-OG 3.29Å; D81-S84 PolarHBondContact OD1-N 3.43Å; D81-S84 WeakPolarHBondContact OD2-CB 3.36Å; D81-S84 PolarHBondContact OD2-OG 3.34Å; S84-R87 PolarHBondContact O-N 3.48Å; S84-L88 WeakPolarHBondContact O-CB 3.32Å; S84-L88 PolarHBondContact O-N 3.44Å
85K96.2Very high96.1Very high133 Ų13386.6 Ų86.658%0.57843%0.429SS*.Hα-helixtrans-63.6-44.9174.4-173.3177.7-178.61780111.6L75 D81 K82 D83 L88 I89L75-K85 HydrophobicContact CD1-CB 4.29Å; L75-K85 HydrophobicContact CD2-CB 4.29Å; D81-K85 PolarHBondContact O-N 3.4Å; K82-K85 PolarHBondContact O-N 3.19Å; D83-K85 VanDerWaalsContact C-N 3.27Å; D83-K85 PolarHBondContact O-N 3.3Å; K85-L88 WeakPolarHBondContact O-CB 3.41Å; K85-L88 PolarHBondContact O-N 3.31Å; K85-I89 PolarHBondContact O-N 3.11Å
86F97Very high96.1Very high122 Ų12290.8 Ų90.854%0.53545%0.448SS..Hα-helixtrans-62-45.3175.2179.2-104.9000111.6K82 D83 L88 I89 L90K82-F86 PolarHBondContact O-N 3.41Å; D83-F86 PolarHBondContact O-N 3.02Å; D83-F86 VanDerWaalsContact O-N 3.16Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 3.19Å; F86-I89 WeakPolarHBondContact O-CB 3.38Å; F86-I89 PolarHBondContact O-N 2.99Å; F86-L90 HydrophobicContact CD1-CD1 4.07Å; F86-L90 HydrophobicContact CE1-CD1 3.58Å; F86-L90 HydrophobicContact CE1-CG 4.18Å; F86-L90 HydrophobicContact CZ-CD1 4.1Å; F86-L90 HydrophobicContact CZ-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CG 4.36Å; F86-L90 PolarHBondContact O-N 2.67Å
87R97.1Very high96.3Very high140 Ų14095.8 Ų95.853%0.52845%0.445SS..Hα-helixtrans-62.6-35.4176.8-70.2176-176.2-169.60.6112.8D83 S84 L90 V91D83-R87 WeakPolarHBondContact O-CB 3.43Å; D83-R87 WeakPolarHBondContact O-CG 3.45Å; D83-R87 PolarHBondContact O-N 3.36Å; D83-R87 IonicContact OD1-CZ 3.05Å; D83-R87 IonicContact OD1-NE 2.87Å; D83-R87 PolarHBondContact OD1-NE 3.46Å; D83-R87 IonicContact OD1-NH2 3.56Å; D83-R87 IonicContact OD2-CZ 3.73Å; D83-R87 IonicContact OD2-NE 2.94Å; D83-R87 PolarHBondContact OD2-NE 3.38Å; D83-R87 IonicContact OD2-NH1 2.67Å; D83-R87 IonicContact OD2-NH2 3.22Å; D83-R87 PolarHBondContact OD2-NH2 2.8Å; S84-R87 PolarHBondContact O-N 3.48Å; R87-L90 PolarHBondContact O-N 2.94Å; R87-V91 WeakPolarHBondContact O-CG2 3.44Å; R87-V91 PolarHBondContact O-N 2.9Å
88L96.3Very high96.3Very high20 Ų2088.5 Ų88.511%0.10542%0.421CS..Hα-helixtrans-58.1-49.4173.5-18060000110.8A68 I71 R72 L75 S84 K85 F86 L90 V91 E92A68-L88 HydrophobicContact CB-CD1 4.23Å; I71-L88 HydrophobicContact CB-CD1 4.27Å; I71-L88 HydrophobicContact CG2-CB 3.78Å; I71-L88 HydrophobicContact CG2-CD1 4.19Å; I71-L88 HydrophobicContact CG2-CG 4.44Å; R72-L88 HydrophobicContact CG-CD1 3.85Å; R72-L88 HydrophobicContact CG-CD2 3.71Å; R72-L88 HydrophobicContact CG-CG 4.46Å; L75-L88 HydrophobicContact CD1-CB 4.22Å; L75-L88 HydrophobicContact CD1-CD2 3.82Å; S84-L88 WeakPolarHBondContact O-CB 3.32Å; S84-L88 PolarHBondContact O-N 3.44Å; K85-L88 WeakPolarHBondContact O-CB 3.41Å; K85-L88 PolarHBondContact O-N 3.31Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 3.19Å; L88-L90 VanDerWaalsContact C-N 3.27Å; L88-L90 PolarHBondContact O-N 3.15Å; L88-V91 PolarHBondContact O-N 3.32Å; L88-V91 VanDerWaalsContact O-N 3.11Å; L88-E92 HydrophobicContact CD1-CG 4.02Å; L88-E92 HydrophobicContact CG-CG 4.33Å; L88-E92 WeakPolarHBondContact O-CG 3.29Å; L88-E92 PolarHBondContact O-N 2.87Å
89I96.2Very high96.2Very high91 Ų9185.2 Ų85.247%0.46740%0.404SS..Hα-helixtrans-56.9-42.8178.8-64.5167.2000110.9K85 F86 S93K85-I89 PolarHBondContact O-N 3.11Å; F86-I89 WeakPolarHBondContact O-CB 3.38Å; F86-I89 PolarHBondContact O-N 2.99Å; I89-S93 WeakPolarHBondContact O-CB 3.45Å; I89-S93 PolarHBondContact O-N 2.96Å; I89-S93 PolarHBondContact O-OG 2.92Å
90L97.6Very high96.2Very high85 Ų8589.3 Ų89.345%0.44540%0.401SS..Hα-helixtrans-64.9-42.4177.5-63.7-177.5000112.5F86 R87 L88 S93 R94F86-L90 HydrophobicContact CD1-CD1 4.07Å; F86-L90 HydrophobicContact CE1-CD1 3.58Å; F86-L90 HydrophobicContact CE1-CG 4.18Å; F86-L90 HydrophobicContact CZ-CD1 4.1Å; F86-L90 HydrophobicContact CZ-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CG 4.36Å; F86-L90 PolarHBondContact O-N 2.67Å; R87-L90 PolarHBondContact O-N 2.94Å; L88-L90 VanDerWaalsContact C-N 3.27Å; L88-L90 PolarHBondContact O-N 3.15Å; L90-S93 PolarHBondContact O-N 3.23Å; L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.09Å; L90-R94 VanDerWaalsContact O-N 3.08Å
91V96.6Very high96.2Very high8 Ų884.3 Ų84.35%0.04838%0.377CS..Hα-helixtrans-66-45.2178174.10000110.5L64 K67 A68 I71 R87 L88 S93 R94 I95L64-V91 HydrophobicContact CD2-CG1 4.49Å; K67-V91 HydrophobicContact CD-CG2 4.17Å; K67-V91 HydrophobicContact CG-CG2 4.48Å; A68-V91 HydrophobicContact CB-CG1 3.92Å; I71-V91 HydrophobicContact CD1-CG2 4.06Å; R87-V91 WeakPolarHBondContact O-CG2 3.44Å; R87-V91 PolarHBondContact O-N 2.9Å; L88-V91 PolarHBondContact O-N 3.32Å; L88-V91 VanDerWaalsContact O-N 3.11Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 2.71Å; V91-R94 WeakPolarHBondContact O-CB 3.4Å; V91-R94 PolarHBondContact O-N 2.88Å; V91-R94 VanDerWaalsContact O-N 3.1Å; V91-I95 HydrophobicContact CG1-CD1 4.16Å; V91-I95 WeakPolarHBondContact O-CG1 3.46Å; V91-I95 PolarHBondContact O-N 3.01Å
92E95.1Very high96.2Very high37 Ų3783.9 Ų83.917%0.17337%0.372CS..Hα-helixtrans-61.8-40.9177-70.5-176.716700111.8R72 L88 R94 I95 Q96 Y114R72-E92 IonicContact CZ-OE1 3.75Å; R72-E92 VanDerWaalsContact CZ-OE1 3.22Å; R72-E92 IonicContact NE-OE1 2.91Å; R72-E92 PolarHBondContact NE-OE1 3.26Å; R72-E92 IonicContact NH2-OE1 3.22Å; R72-E92 PolarHBondContact NH2-OE1 2.96Å; L88-E92 HydrophobicContact CD1-CG 4.02Å; L88-E92 HydrophobicContact CG-CG 4.33Å; L88-E92 WeakPolarHBondContact O-CG 3.29Å; L88-E92 PolarHBondContact O-N 2.87Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.81Å; E92-I95 WeakPolarHBondContact O-CB 3.49Å; E92-I95 PolarHBondContact O-N 2.95Å; E92-Q96 WeakPolarHBondContact O-CG 3.5Å; E92-Q96 PolarHBondContact O-N 3.38Å; E92-Y114 HydrophobicContact CG-CE1 3.99Å
93S96.6Very high96.1Very high53 Ų5378.9 Ų78.937%0.37135%0.35SS..Hα-helixtrans-59.8-38.9173.8-62.10000112I89 L90 V91 R97I89-S93 WeakPolarHBondContact O-CB 3.45Å; I89-S93 PolarHBondContact O-N 2.96Å; I89-S93 PolarHBondContact O-OG 2.92Å; L90-S93 PolarHBondContact O-N 3.23Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 2.71Å; S93-R97 VanDerWaalsContact O-CG 3.31Å; S93-R97 WeakPolarHBondContact O-CG 3.42Å; S93-R97 PolarHBondContact O-N 3.35Å; S93-R97 VanDerWaalsContact O-N 3.14Å
94R96.8Very high96Very high138 Ų13884.2 Ų84.252%0.52137%0.365SS..Hα-helixtrans-67.6-41.5174.8-71172.363.1167.11.4112.1L64 L90 V91 E92 Q96 R97 L98L64-R94 HydrophobicContact CD1-CB 3.89Å; L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.09Å; L90-R94 VanDerWaalsContact O-N 3.08Å; V91-R94 WeakPolarHBondContact O-CB 3.4Å; V91-R94 PolarHBondContact O-N 2.88Å; V91-R94 VanDerWaalsContact O-N 3.1Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.81Å; R94-Q96 VanDerWaalsContact C-N 3.34Å; R94-Q96 PolarHBondContact O-N 3.03Å; R94-R97 PolarHBondContact O-N 3.07Å; R94-L98 PolarHBondContact O-N 3.38Å
95I95.5Very high95.9Very high0 Ų089.2 Ų89.20%038%0.384CS..Hα-helixtrans-57.4-48.7175.5-68.6168.1000110L61 L64 V65 A68 V91 E92 R97 L98 A99 Y114L61-I95 HydrophobicContact CD1-CB 4.49Å; L61-I95 HydrophobicContact CD1-CG2 3.88Å; L64-I95 HydrophobicContact CB-CD1 4.27Å; L64-I95 HydrophobicContact CB-CG1 3.63Å; L64-I95 HydrophobicContact CD1-CG1 4.33Å; V65-I95 HydrophobicContact CG2-CD1 3.98Å; V65-I95 HydrophobicContact CG2-CG1 4.28Å; V65-I95 HydrophobicContact CG2-CG2 4.13Å; A68-I95 HydrophobicContact CB-CD1 3.79Å; V91-I95 HydrophobicContact CG1-CD1 4.16Å; V91-I95 WeakPolarHBondContact O-CG1 3.46Å; V91-I95 PolarHBondContact O-N 3.01Å; E92-I95 WeakPolarHBondContact O-CB 3.49Å; E92-I95 PolarHBondContact O-N 2.95Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.19Å; I95-L98 PolarHBondContact O-N 3.33Å; I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.43Å; I95-A99 PolarHBondContact O-N 2.88Å; I95-Y114 HydrophobicContact CD1-CD2 4.44Å; I95-Y114 HydrophobicContact CD1-CE1 4.33Å; I95-Y114 HydrophobicContact CD1-CE2 3.93Å; I95-Y114 HydrophobicContact CG2-CD1 4.1Å; I95-Y114 HydrophobicContact CG2-CD2 3.81Å; I95-Y114 HydrophobicContact CG2-CE2 4.36Å; I95-Y114 HydrophobicContact CG2-CG 3.66Å
96Q94.8Very high95.7Very high115 Ų11594 Ų9454%0.53740%0.398SS..Hα-helixtrans-61.5-40.6179.4-68.7179.1900112.5E92 R94 R100E92-Q96 WeakPolarHBondContact O-CG 3.5Å; E92-Q96 PolarHBondContact O-N 3.38Å; R94-Q96 VanDerWaalsContact C-N 3.34Å; R94-Q96 PolarHBondContact O-N 3.03Å; Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.41Å
97R96.4Very high95.5Very high177 Ų17791 Ų9167%0.66839%0.39SS*.Hα-helixtrans-62.7-45.2175.9-73.4172.263.3-171.40.2112.1S93 R94 I95 R100 Y101S93-R97 VanDerWaalsContact O-CG 3.31Å; S93-R97 WeakPolarHBondContact O-CG 3.42Å; S93-R97 PolarHBondContact O-N 3.35Å; S93-R97 VanDerWaalsContact O-N 3.14Å; R94-R97 PolarHBondContact O-N 3.07Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.19Å; R97-R100 PolarHBondContact O-N 3.29Å; R97-Y101 PolarHBondContact O-N 3.16Å
98L95.7Very high95.2Very high46 Ų4684.7 Ų84.724%0.24137%0.367CS..Hα-helixtrans-68.9-42.3177.5-72-173.2000112.2D60 L61 L64 R94 I95 R100 Y101 Y102D60-L98 HydrophobicContact CB-CD1 4.41Å; D60-L98 WeakPolarHBondContact OD2-CD1 3.47Å; L61-L98 HydrophobicContact CD1-CB 4.23Å; L64-L98 HydrophobicContact CD1-CD1 3.5Å; L64-L98 HydrophobicContact CD1-CG 4.4Å; R94-L98 PolarHBondContact O-N 3.38Å; I95-L98 PolarHBondContact O-N 3.33Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 2.85Å; L98-Y101 WeakPolarHBondContact O-CA 3.3Å; L98-Y101 WeakPolarHBondContact O-CB 3.33Å; L98-Y101 PolarHBondContact O-N 2.97Å; L98-Y102 HydrophobicContact CB-CD2 4.37Å; L98-Y102 HydrophobicContact CB-CE2 4.47Å; L98-Y102 VanDerWaalsContact O-CD2 3.29Å; L98-Y102 WeakPolarHBondContact O-CD2 3.34Å; L98-Y102 PolarHBondContact O-N 3.48Å
99A94.1Very high94.9Very high8 Ų887 Ų877%0.06638%0.383CS..Hα-helixtrans-56.4-43.7175.600000111.2I95 Y101 Y102 K103 W112I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.43Å; I95-A99 PolarHBondContact O-N 2.88Å; A99-Y101 VanDerWaalsContact C-N 3.35Å; A99-Y101 PolarHBondContact O-N 2.93Å; A99-Y102 PolarHBondContact O-N 3.36Å; A99-K103 WeakPolarHBondContact O-CB 3.33Å; A99-K103 VanDerWaalsContact O-CG 3.27Å; A99-K103 WeakPolarHBondContact O-CG 3.26Å; A99-K103 PolarHBondContact O-N 3.32Å; A99-W112 HydrophobicContact CB-CE3 3.92Å; A99-W112 HydrophobicContact CB-CH2 4.4Å; A99-W112 HydrophobicContact CB-CZ3 3.45Å; A99-W112 VanDerWaalsContact CB-CZ3 3.45Å
100R95.2Very high94.7Very high175 Ų17588 Ų8866%0.6640%0.396SS*.Hα-helixtrans-58.9-44.8174.3-171-172.5-58.7154.22112.1Q96 R97 L98 R104Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 3.41Å; R97-R100 PolarHBondContact O-N 3.29Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 2.85Å; R100-R104 WeakPolarHBondContact O-CB 3.47Å; R100-R104 PolarHBondContact O-N 3.05Å; R100-R104 VanDerWaalsContact O-N 3.09Å
101Y96.7Very high94.4Very high97 Ų9790.3 Ų90.338%0.3841%0.408SS..Hα-helixtrans-60.8-49.1176.9170.1-98.9000111.9R97 L98 A99 R104 K105R97-Y101 PolarHBondContact O-N 3.16Å; L98-Y101 WeakPolarHBondContact O-CA 3.3Å; L98-Y101 WeakPolarHBondContact O-CB 3.33Å; L98-Y101 PolarHBondContact O-N 2.97Å; A99-Y101 VanDerWaalsContact C-N 3.35Å; A99-Y101 PolarHBondContact O-N 2.93Å; Y101-R104 PolarHBondContact O-N 2.95Å; Y101-K105 HydrophobicContact CD2-CG 4.37Å; Y101-K105 HydrophobicContact CE1-CG 4.17Å; Y101-K105 HydrophobicContact CE2-CG 3.86Å; Y101-K105 PolarHBondContact O-N 3.18Å
102Y95.9Very high94.1Very high40 Ų4091.3 Ų91.316%0.15741%0.411CS..Hα-helixtrans-71.7-31.1-176.7-77.5-62.1000113.8P58 D60 L98 A99 K105 R106 V107 L108P58-Y102 HydrophobicContact CB-CD1 4.36Å; P58-Y102 HydrophobicContact CB-CD2 4.21Å; P58-Y102 HydrophobicContact CB-CE1 3.86Å; P58-Y102 HydrophobicContact CB-CE2 3.71Å; P58-Y102 HydrophobicContact CG-CD1 3.7Å; P58-Y102 HydrophobicContact CG-CD2 3.96Å; P58-Y102 HydrophobicContact CG-CE1 3.66Å; P58-Y102 HydrophobicContact CG-CE2 3.94Å; P58-Y102 HydrophobicContact CG-CG 3.85Å; D60-Y102 VanDerWaalsContact CG-OH 3.31Å; D60-Y102 WeakPolarHBondContact OD1-CE2 3.44Å; D60-Y102 PolarHBondContact OD1-OH 3.48Å; D60-Y102 WeakPolarHBondContact OD2-CE2 3.5Å; D60-Y102 PolarHBondContact OD2-OH 3.03Å; L98-Y102 HydrophobicContact CB-CD2 4.37Å; L98-Y102 HydrophobicContact CB-CE2 4.47Å; L98-Y102 VanDerWaalsContact O-CD2 3.29Å; L98-Y102 WeakPolarHBondContact O-CD2 3.34Å; L98-Y102 PolarHBondContact O-N 3.48Å; A99-Y102 PolarHBondContact O-N 3.36Å; Y102-K105 PolarHBondContact O-N 3.05Å; Y102-R106 PolarHBondContact O-N 3.32Å; Y102-V107 HydrophobicContact CD1-CB 3.82Å; Y102-V107 HydrophobicContact CD1-CG1 4.02Å; Y102-V107 HydrophobicContact CD1-CG2 4.02Å; Y102-V107 PolarHBondContact O-N 3.43Å; Y102-L108 HydrophobicContact CG-CD1 4.46Å; Y102-L108 PolarHBondContact O-N 3.32Å
103K94.1Very high93.8Very high75 Ų7597.4 Ų97.433%0.32644%0.437SS..Hα-helixtrans-61.9-48.3167.2-75.2-177.9180-156.50111.7A99 K105 R106 L108 P110 W112A99-K103 WeakPolarHBondContact O-CB 3.33Å; A99-K103 VanDerWaalsContact O-CG 3.27Å; A99-K103 WeakPolarHBondContact O-CG 3.26Å; A99-K103 PolarHBondContact O-N 3.32Å; K103-K105 VanDerWaalsContact C-N 3.26Å; K103-K105 PolarHBondContact O-N 2.87Å; K103-R106 PolarHBondContact O-N 3.09Å; K103-L108 HydrophobicContact CG-CB 4.36Å; K103-P110 WeakPolarHBondContact CE-O 3.5Å; K103-P110 PolarHBondContact NZ-O 3.5Å; K103-W112 WeakPolarHBondContact CE-O 3.36Å; K103-W112 PolarHBondContact NZ-O 3.47Å
104R95.7Very high93.4Very high190 Ų19096.3 Ų96.372%0.71743%0.425SS*.Hα-helixtrans-61.1-35177.8-176.8175.260.9177.10.4112.3R100 Y101 R106R100-R104 WeakPolarHBondContact O-CB 3.47Å; R100-R104 PolarHBondContact O-N 3.05Å; R100-R104 VanDerWaalsContact O-N 3.09Å; Y101-R104 PolarHBondContact O-N 2.95Å; R104-R106 VanDerWaalsContact C-N 3.26Å; R104-R106 PolarHBondContact O-N 3.22Å
105K94.8Very high92.9Very high124 Ų12492.9 Ų92.954%0.53942%0.417SS..THydrogen-bonded Turntrans-82.33.6175.5-68.8-64.3-173-177.80114.1Y101 Y102 K103 V107Y101-K105 HydrophobicContact CD2-CG 4.37Å; Y101-K105 HydrophobicContact CE1-CG 4.17Å; Y101-K105 HydrophobicContact CE2-CG 3.86Å; Y101-K105 PolarHBondContact O-N 3.18Å; Y102-K105 PolarHBondContact O-N 3.05Å; K103-K105 VanDerWaalsContact C-N 3.26Å; K103-K105 PolarHBondContact O-N 2.87Å; K105-V107 HydrophobicContact CB-CG2 4.08Å; K105-V107 PolarHBondContact O-N 3.26Å
106R92.5Very high92.3Very high232 Ų23295.5 Ų95.588%0.87544%0.435SS*.THydrogen-bonded Turntrans55.528.4-178.5-54.1-179.2-179.6179.2-1113.6Y102 K103 R104Y102-R106 PolarHBondContact O-N 3.32Å; K103-R106 PolarHBondContact O-N 3.09Å; R104-R106 VanDerWaalsContact C-N 3.26Å; R104-R106 PolarHBondContact O-N 3.22Å
107V91.7Very high91.8Very high61 Ų6193.8 Ų93.837%0.3744%0.436SS..SBendtrans-85.9-38.4173.4-179.90000109.8P58 Y102 K105P58-V107 HydrophobicContact CG-CG1 3.78Å; Y102-V107 HydrophobicContact CD1-CB 3.82Å; Y102-V107 HydrophobicContact CD1-CG1 4.02Å; Y102-V107 HydrophobicContact CD1-CG2 4.02Å; Y102-V107 PolarHBondContact O-N 3.43Å; K105-V107 HydrophobicContact CB-CG2 4.08Å; K105-V107 PolarHBondContact O-N 3.26Å
108L90.5Very high91.2Very high7 Ų788.2 Ų88.24%0.03742%0.422CS..SBendtrans-101.4148170.6-69.4170.4000109.8L61 Y102 K103 W112L61-L108 HydrophobicContact CD2-CD1 3.44Å; L61-L108 VanDerWaalsContact CD2-CD1 3.44Å; L61-L108 HydrophobicContact CD2-CD2 4.5Å; Y102-L108 HydrophobicContact CG-CD1 4.46Å; Y102-L108 PolarHBondContact O-N 3.32Å; K103-L108 HydrophobicContact CG-CB 4.36Å; L108-W112 HydrophobicContact CB-CB 4.29Å; L108-W112 HydrophobicContact CB-CG 4.42Å; L108-W112 HydrophobicContact CD1-CD2 4.08Å; L108-W112 HydrophobicContact CD1-CE3 4.19Å; L108-W112 HydrophobicContact CD1-CG 4.4Å; L108-W112 HydrophobicContact CD2-CD2 4.46Å; L108-W112 HydrophobicContact CD2-CG 4.23Å
109P91.1Very high90.5Very high67 Ų6786 Ų8644%0.43541%0.41SS..  trans-67149175.129.3-33.1000110.4N111 W112P109-N111 WeakPolarHBondContact CB-OD1 3.48Å; P109-N111 PolarHBondContact O-N 2.93Å; P109-W112 HydrophobicContact CG-CB 4.08Å; P109-W112 WeakPolarHBondContact O-CB 3.46Å; P109-W112 PolarHBondContact O-N 2.61Å
110P91.3Very high89.7Confident114 Ų11489 Ų8974%0.7443%0.43SS*.THydrogen-bonded Turntrans-61.9-30.8-172.723.1-33.4000113.1K103 W112K103-P110 WeakPolarHBondContact CE-O 3.5Å; K103-P110 PolarHBondContact NZ-O 3.5Å; P110-W112 VanDerWaalsContact C-N 3.3Å; P110-W112 PolarHBondContact O-N 3.46Å
111N91.4Very high89.1Confident133 Ų13385.2 Ų85.271%0.71143%0.427SS*.THydrogen-bonded Turntrans-77.9-7.1176.565.7-13.5000114P109 K113P109-N111 WeakPolarHBondContact CB-OD1 3.48Å; P109-N111 PolarHBondContact O-N 2.93Å; N111-K113 PolarHBondContact O-N 2.91Å
112W90.8Very high88.1Confident29 Ų2982.9 Ų82.911%0.1142%0.421CS..  trans-57.8124.4-179.8-171.692000110.6L61 A99 K103 L108 P109 P110 L122L61-W112 HydrophobicContact CD1-CH2 4.27Å; L61-W112 HydrophobicContact CD2-CH2 3.85Å; L61-W112 HydrophobicContact CD2-CZ2 3.93Å; L61-W112 HydrophobicContact CD2-CZ3 4.39Å; L61-W112 HydrophobicContact CG-CH2 4.34Å; A99-W112 HydrophobicContact CB-CE3 3.92Å; A99-W112 HydrophobicContact CB-CH2 4.4Å; A99-W112 HydrophobicContact CB-CZ3 3.45Å; A99-W112 VanDerWaalsContact CB-CZ3 3.45Å; K103-W112 WeakPolarHBondContact CE-O 3.36Å; K103-W112 PolarHBondContact NZ-O 3.47Å; L108-W112 HydrophobicContact CB-CB 4.29Å; L108-W112 HydrophobicContact CB-CG 4.42Å; L108-W112 HydrophobicContact CD1-CD2 4.08Å; L108-W112 HydrophobicContact CD1-CE3 4.19Å; L108-W112 HydrophobicContact CD1-CG 4.4Å; L108-W112 HydrophobicContact CD2-CD2 4.46Å; L108-W112 HydrophobicContact CD2-CG 4.23Å; P109-W112 HydrophobicContact CG-CB 4.08Å; P109-W112 WeakPolarHBondContact O-CB 3.46Å; P109-W112 PolarHBondContact O-N 2.61Å; P110-W112 VanDerWaalsContact C-N 3.3Å; P110-W112 PolarHBondContact O-N 3.46Å; W112-L122 HydrophobicContact CZ2-CD1 4.17Å
113K88.8Confident87.1Confident165 Ų16582.1 Ų82.172%0.71742%0.419SS*.  trans-130131.9179.3-169.7178.4178.3-174.20109N111 D115N111-K113 PolarHBondContact O-N 2.91Å; K113-D115 PolarHBondContact O-N 3.29Å
114Y87.7Confident85.6Confident30 Ų3085.4 Ų85.412%0.11846%0.46CS..  trans-75.8110.7166.7176.3-106.5000108.1V65 A68 E92 I95 A119V65-Y114 HydrophobicContact CB-CE2 4.49Å; V65-Y114 HydrophobicContact CG1-CD2 4.48Å; V65-Y114 HydrophobicContact CG1-CE2 4.01Å; V65-Y114 HydrophobicContact CG2-CD2 4Å; V65-Y114 HydrophobicContact CG2-CE2 4Å; A68-Y114 WeakPolarHBondContact CB-OH 3.32Å; E92-Y114 HydrophobicContact CG-CE1 3.99Å; I95-Y114 HydrophobicContact CD1-CD2 4.44Å; I95-Y114 HydrophobicContact CD1-CE1 4.33Å; I95-Y114 HydrophobicContact CD1-CE2 3.93Å; I95-Y114 HydrophobicContact CG2-CD1 4.1Å; I95-Y114 HydrophobicContact CG2-CD2 3.81Å; I95-Y114 HydrophobicContact CG2-CE2 4.36Å; I95-Y114 HydrophobicContact CG2-CG 3.66Å; Y114-A119 HydrophobicContact CD2-CB 4.47Å; Y114-A119 HydrophobicContact CE2-CB 3.68Å
115D87.8Confident85.1Confident65 Ų6580.2 Ų80.235%0.34845%0.447SS..  trans-112.8114.9166.7-172.7-12.8000108.9K113 S117 T118 A119K113-D115 PolarHBondContact O-N 3.29Å; D115-S117 PolarHBondContact O-N 2.92Å; D115-S117 PolarHBondContact OD1-N 3.25Å; D115-S117 PolarHBondContact OD1-OG 3.04Å; D115-S117 VanDerWaalsContact OD1-OG 3.09Å; D115-S117 PolarHBondContact OD2-OG 3.41Å; D115-T118 CarbonylContact O-C 3.54Å; D115-T118 PolarHBondContact O-N 3.12Å; D115-T118 PolarHBondContact O-OG1 2.82Å; D115-A119 WeakPolarHBondContact O-CB 3.17Å; D115-A119 PolarHBondContact O-N 3.1Å
116S82.4Confident84.6Confident55 Ų5577.8 Ų77.839%0.38544%0.442SS..THydrogen-bonded Turntrans-6.7-57147.7156.60000117.2R72R72-S116 VanDerWaalsContact CZ-CA 3.44Å; R72-S116 VanDerWaalsContact CZ-CB 3.42Å; R72-S116 VanDerWaalsContact NH1-C 3.3Å; R72-S116 PolarHBondContact NH1-O 3.43Å; R72-S116 PolarHBondContact NH1-OG 3.06Å; R72-S116 PolarHBondContact NH2-OG 3.33Å
117S83.2Confident84.1Confident79 Ų7969.3 Ų69.355%0.55242%0.418SS*.THydrogen-bonded Turntrans-79.7-36.7-173.363.30000113.3D115D115-S117 PolarHBondContact O-N 2.92Å; D115-S117 PolarHBondContact OD1-N 3.25Å; D115-S117 PolarHBondContact OD1-OG 3.04Å; D115-S117 VanDerWaalsContact OD1-OG 3.09Å; D115-S117 PolarHBondContact OD2-OG 3.41Å
118T84.3Confident83.7Confident61 Ų6169.8 Ų69.837%0.37442%0.421SS..THydrogen-bonded Turntrans-97.2-2-178.662.30000112.7D115 S120 T121 L122D115-T118 CarbonylContact O-C 3.54Å; D115-T118 PolarHBondContact O-N 3.12Å; D115-T118 PolarHBondContact O-OG1 2.82Å; T118-S120 PolarHBondContact O-N 3.32Å; T118-T121 PolarHBondContact O-N 3.11Å; T118-T121 PolarHBondContact O-OG1 3.42Å; T118-L122 PolarHBondContact O-N 3.01Å
119A82Confident83.2Confident0 Ų073.7 Ų73.70%045%0.445CS..THydrogen-bonded Turntrans-56.4-30.4-178.200000113.1V65 V69 Y114 D115 I123V65-A119 HydrophobicContact CG1-CB 4.22Å; V69-A119 HydrophobicContact CG2-CB 3.62Å; Y114-A119 HydrophobicContact CD2-CB 4.47Å; Y114-A119 HydrophobicContact CE2-CB 3.68Å; D115-A119 WeakPolarHBondContact O-CB 3.17Å; D115-A119 PolarHBondContact O-N 3.1Å; A119-I123 VanDerWaalsContact O-CD1 3.26Å; A119-I123 WeakPolarHBondContact O-CD1 3.42Å; A119-I123 WeakPolarHBondContact O-CG1 3.43Å
120S77.3Confident82.7Confident69 Ų6974.1 Ų74.148%0.48345%0.446SS..THydrogen-bonded Turntrans-67.2-36.6175.6510000113T118 L122 I123T118-S120 PolarHBondContact O-N 3.32Å; S120-L122 VanDerWaalsContact C-N 3.29Å; S120-L122 PolarHBondContact O-N 3.29Å; S120-I123 PolarHBondContact O-N 3.11Å
121T80.9Confident82.1Confident97 Ų9771.3 Ų71.360%0.59543%0.425SS*.THydrogen-bonded Turntrans-74.4-22.9-179.863.80000112.3T118 I123T118-T121 PolarHBondContact O-N 3.11Å; T118-T121 PolarHBondContact O-OG1 3.42Å; T121-I123 VanDerWaalsContact C-N 3.26Å; T121-I123 PolarHBondContact O-N 2.89Å
122L76.9Confident81.4Confident47 Ų4766.5 Ų66.525%0.24640%0.403CS..THydrogen-bonded Turntrans-73.9-14.6175.1-66174.6000113.8I57 W112 T118 S120I57-L122 HydrophobicContact CD1-CB 4.41Å; I57-L122 HydrophobicContact CD1-CD2 4.49Å; W112-L122 HydrophobicContact CZ2-CD1 4.17Å; T118-L122 PolarHBondContact O-N 3.01Å; S120-L122 VanDerWaalsContact C-N 3.29Å; S120-L122 PolarHBondContact O-N 3.29Å
123I73.7Confident80.6Confident25 Ų2569.7 Ų69.713%0.12843%0.427CS..THydrogen-bonded Turntrans-104.3-20-175.8-58.8153.6000112Y62 V65 K66 V69 A119 S120 T121Y62-I123 HydrophobicContact CE1-CG2 4.39Å; Y62-I123 HydrophobicContact CE2-CB 4.18Å; Y62-I123 HydrophobicContact CE2-CG2 3.82Å; Y62-I123 WeakPolarHBondContact CE2-O 3.29Å; Y62-I123 VanDerWaalsContact OH-CG2 3.3Å; Y62-I123 WeakPolarHBondContact OH-CG2 3.45Å; Y62-I123 PolarHBondContact OH-O 3.33Å; V65-I123 HydrophobicContact CB-CG1 4.47Å; V65-I123 HydrophobicContact CG1-CD1 3.79Å; V65-I123 HydrophobicContact CG1-CG1 3.78Å; K66-I123 HydrophobicContact CB-CD1 4.23Å; K66-I123 HydrophobicContact CB-CG1 4.46Å; K66-I123 HydrophobicContact CB-CG2 4.2Å; K66-I123 HydrophobicContact CD-CG2 4.35Å; K66-I123 HydrophobicContact CG-CG2 4.17Å; V69-I123 HydrophobicContact CB-CD1 3.88Å; V69-I123 HydrophobicContact CG1-CD1 4.42Å; V69-I123 HydrophobicContact CG2-CD1 3.49Å; V69-I123 VanDerWaalsContact CG2-CD1 3.49Å; A119-I123 VanDerWaalsContact O-CD1 3.26Å; A119-I123 WeakPolarHBondContact O-CD1 3.42Å; A119-I123 WeakPolarHBondContact O-CG1 3.43Å; S120-I123 PolarHBondContact O-N 3.11Å; T121-I123 VanDerWaalsContact C-N 3.26Å; T121-I123 PolarHBondContact O-N 2.89Å
124A62.8Low79.9Confident143 Ų14361 Ų61100%1.18240%0.401SS*.  trans-65.60178.100000110.8

Retrieved 124 of 124 residues in 481.6 ms (Link to these results)

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