A0A077YX62_TRITR Loading...

Probable Ufm1-specific protease

AlphaFold DB , UniProt , Accession A0A077YX62, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M49.3Very low60.1Low195 Ų195108.8 Ų108.896%0.96157%0.568SS**  0138.30-85.7177.8-16800109
2P51.7Low61.9Low83 Ų83102.1 Ų102.154%0.53953%0.532SS..  trans-61.7139.4167-19.532.7000110.8A4 L5P2-A4 PolarHBondContact O-N 3.06Å; P2-A4 VanDerWaalsContact O-N 3.16Å; P2-L5 HydrophobicContact CG-CD1 4.04Å; P2-L5 PolarHBondContact O-N 3.16Å
3I57.7Low63.5Low152 Ų152102.2 Ų102.278%0.77953%0.533SS*.Hα-helixtrans-55.8-35.8-177.6-63.9170.1000111.6L5 M6 H7I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 3.03Å; I3-M6 PolarHBondContact O-N 3.49Å; I3-H7 PolarHBondContact O-N 3Å
4A56.7Low65.1Low77 Ų77104.4 Ų104.464%0.63653%0.532SS*.Hα-helixtrans-59.4-39177.800000113.7P2 H7 F8P2-A4 PolarHBondContact O-N 3.06Å; P2-A4 VanDerWaalsContact O-N 3.16Å; A4-H7 PolarHBondContact O-N 2.94Å; A4-F8 WeakPolarHBondContact O-CB 3.48Å; A4-F8 PolarHBondContact O-N 3.26Å
5L56.5Low66.6Low82 Ų8298.8 Ų98.843%0.42950%0.502SS..Hα-helixtrans-67.2-43.5177.2-92.7152.7000111.1P2 I3 H7 F8 F9P2-L5 HydrophobicContact CG-CD1 4.04Å; P2-L5 PolarHBondContact O-N 3.16Å; I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 3.03Å; L5-H7 VanDerWaalsContact C-N 3.34Å; L5-H7 PolarHBondContact O-N 3.19Å; L5-F8 WeakPolarHBondContact O-CB 3.05Å; L5-F8 PolarHBondContact O-N 3.46Å; L5-F9 HydrophobicContact CB-CE2 4.45Å; L5-F9 HydrophobicContact CD2-CE2 3.88Å; L5-F9 HydrophobicContact CD2-CZ 4.32Å; L5-F9 WeakPolarHBondContact O-CD2 3.41Å; L5-F9 PolarHBondContact O-N 3.39Å
6M45.9Very low67.7Low119 Ų11998.1 Ų98.159%0.58650%0.495SS*.Hα-helixtrans-63.2-41.2177.6-168.7173.8-17900111.6I3 L10I3-M6 PolarHBondContact O-N 3.49Å; M6-L10 HydrophobicContact CG-CD1 4.4Å; M6-L10 VanDerWaalsContact O-CG 3.29Å; M6-L10 WeakPolarHBondContact O-CG 3.45Å; M6-L10 PolarHBondContact O-N 2.9Å; M6-L10 VanDerWaalsContact O-N 3.13Å
7H60.6Low68.9Low107 Ų10798.1 Ų98.150%0.49549%0.494SS..Hα-helixtrans-66.7-34.7174.7-168.2-96.4000112.7I3 A4 L5 L11I3-H7 PolarHBondContact O-N 3Å; A4-H7 PolarHBondContact O-N 2.94Å; L5-H7 VanDerWaalsContact C-N 3.34Å; L5-H7 PolarHBondContact O-N 3.19Å; H7-L11 WeakPolarHBondContact O-CG 3.46Å; H7-L11 PolarHBondContact O-N 3.09Å; H7-L11 VanDerWaalsContact O-N 3.15Å
8F61.4Low69.8Low101 Ų10193.9 Ų93.944%0.44347%0.473SS..Hα-helixtrans-64.5-48.8175.1-176.5-91.6000112A4 L5 L11 E12A4-F8 WeakPolarHBondContact O-CB 3.48Å; A4-F8 PolarHBondContact O-N 3.26Å; L5-F8 WeakPolarHBondContact O-CB 3.05Å; L5-F8 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 3.42Å; F8-E12 HydrophobicContact CD1-CG 4.16Å; F8-E12 HydrophobicContact CE1-CG 3.66Å; F8-E12 HydrophobicContact CZ-CG 3.96Å; F8-E12 WeakPolarHBondContact CZ-OE1 3.29Å; F8-E12 PolarHBondContact O-N 2.75Å
9F67Low70.7Confident109 Ų10989.1 Ų89.148%0.47845%0.449SS..Hα-helixtrans-60.3-47.2177.4-71.3-62.7000112.2L5 L11 E12 D13L5-F9 HydrophobicContact CB-CE2 4.45Å; L5-F9 HydrophobicContact CD2-CE2 3.88Å; L5-F9 HydrophobicContact CD2-CZ 4.32Å; L5-F9 WeakPolarHBondContact O-CD2 3.41Å; L5-F9 PolarHBondContact O-N 3.39Å; F9-L11 PolarHBondContact O-N 2.92Å; F9-E12 PolarHBondContact O-N 3.06Å; F9-D13 PolarHBondContact O-N 3.41Å
10L73.3Confident71.5Confident102 Ų10293.8 Ų93.853%0.53446%0.461SS..Hα-helixtrans-56.6-35.8176-71.7168.8000112.7M6 Y14M6-L10 HydrophobicContact CG-CD1 4.4Å; M6-L10 VanDerWaalsContact O-CG 3.29Å; M6-L10 WeakPolarHBondContact O-CG 3.45Å; M6-L10 PolarHBondContact O-N 2.9Å; M6-L10 VanDerWaalsContact O-N 3.13Å; L10-Y14 WeakPolarHBondContact O-CB 3.26Å; L10-Y14 PolarHBondContact O-N 3.49Å
11L81.1Confident72.3Confident70 Ų7095 Ų9537%0.36647%0.468SS..Hα-helixtrans-77.2-31.1176.1-73179.6000113.6H7 F8 F9 R15H7-L11 WeakPolarHBondContact O-CG 3.46Å; H7-L11 PolarHBondContact O-N 3.09Å; H7-L11 VanDerWaalsContact O-N 3.15Å; F8-L11 PolarHBondContact O-N 3.42Å; F9-L11 PolarHBondContact O-N 2.92Å; L11-R15 WeakPolarHBondContact O-CB 3.35Å; L11-R15 WeakPolarHBondContact O-CG 3.12Å; L11-R15 PolarHBondContact O-N 3.2Å; L11-R15 VanDerWaalsContact O-N 3.11Å; L11-R15 PolarHBondContact O-NE 3.19Å
12E81.8Confident74.1Confident28 Ų2892.8 Ų92.813%0.13145%0.449CS..Hα-helixtrans-68.7-45.6171.9-70.5-65164.600110.6F8 F9 Y14 R15 F16 R32F8-E12 HydrophobicContact CD1-CG 4.16Å; F8-E12 HydrophobicContact CE1-CG 3.66Å; F8-E12 HydrophobicContact CZ-CG 3.96Å; F8-E12 WeakPolarHBondContact CZ-OE1 3.29Å; F8-E12 PolarHBondContact O-N 2.75Å; F9-E12 PolarHBondContact O-N 3.06Å; E12-Y14 PolarHBondContact O-N 3.27Å; E12-R15 PolarHBondContact O-N 2.88Å; E12-R15 VanDerWaalsContact O-N 3.16Å; E12-R15 IonicContact OE1-CZ 2.8Å; E12-R15 IonicContact OE1-NH1 3.26Å; E12-R15 PolarHBondContact OE1-NH1 3.05Å; E12-R15 IonicContact OE1-NH2 3.26Å; E12-R15 PolarHBondContact OE1-NH2 3.21Å; E12-R15 IonicContact OE2-CZ 3.63Å; E12-R15 IonicContact OE2-NE 3.61Å; E12-R15 IonicContact OE2-NH1 2.9Å; E12-R15 PolarHBondContact OE2-NH1 3.15Å; E12-R15 IonicContact OE2-NH2 2.75Å; E12-R15 PolarHBondContact OE2-NH2 3.18Å; E12-F16 PolarHBondContact O-N 3.24Å; E12-R32 IonicContact OE1-CZ 3.56Å; E12-R32 IonicContact OE1-NE 3.61Å; E12-R32 IonicContact OE1-NH2 3.54Å; E12-R32 PolarHBondContact OE1-NH2 3.1Å
13D83.1Confident75.6Confident104 Ų10496 Ų9656%0.55646%0.462SS*.Hα-helixtrans-59.3-44.5175.8-72.5-26.1000111.9F9 R15 F16 M17F9-D13 PolarHBondContact O-N 3.41Å; D13-R15 PolarHBondContact O-N 3.49Å; D13-F16 PolarHBondContact O-N 3.13Å; D13-M17 WeakPolarHBondContact O-CG 3.35Å; D13-M17 PolarHBondContact O-N 2.87Å
14Y85.7Confident76.8Confident132 Ų13291.2 Ų91.252%0.51844%0.437SS..Hα-helixtrans-61.6-44.2176-168.6-106.6000111.4L10 E12 F16 M17 L18L10-Y14 WeakPolarHBondContact O-CB 3.26Å; L10-Y14 PolarHBondContact O-N 3.49Å; E12-Y14 PolarHBondContact O-N 3.27Å; Y14-F16 PolarHBondContact O-N 2.97Å; Y14-M17 HydrophobicContact CD2-CE 3.83Å; Y14-M17 WeakPolarHBondContact O-CB 3.38Å; Y14-M17 PolarHBondContact O-N 3.12Å; Y14-L18 HydrophobicContact CD1-CD1 3.92Å; Y14-L18 HydrophobicContact CD1-CG 4.18Å; Y14-L18 HydrophobicContact CE1-CD1 3.73Å; Y14-L18 HydrophobicContact CE1-CD2 4.04Å; Y14-L18 HydrophobicContact CE1-CG 4.02Å; Y14-L18 WeakPolarHBondContact O-CG 3.42Å; Y14-L18 PolarHBondContact O-N 3.49Å
15R87.3Confident78.1Confident21 Ų2190.3 Ų90.38%0.07943%0.425CS..Hα-helixtrans-63.7-41.5177-72.7-178.5-83.6135.1-10.5111.9L11 E12 D13 M17 L18 H19 F31L11-R15 WeakPolarHBondContact O-CB 3.35Å; L11-R15 WeakPolarHBondContact O-CG 3.12Å; L11-R15 PolarHBondContact O-N 3.2Å; L11-R15 VanDerWaalsContact O-N 3.11Å; L11-R15 PolarHBondContact O-NE 3.19Å; E12-R15 PolarHBondContact O-N 2.88Å; E12-R15 VanDerWaalsContact O-N 3.16Å; E12-R15 IonicContact OE1-CZ 2.8Å; E12-R15 IonicContact OE1-NH1 3.26Å; E12-R15 PolarHBondContact OE1-NH1 3.05Å; E12-R15 IonicContact OE1-NH2 3.26Å; E12-R15 PolarHBondContact OE1-NH2 3.21Å; E12-R15 IonicContact OE2-CZ 3.63Å; E12-R15 IonicContact OE2-NE 3.61Å; E12-R15 IonicContact OE2-NH1 2.9Å; E12-R15 PolarHBondContact OE2-NH1 3.15Å; E12-R15 IonicContact OE2-NH2 2.75Å; E12-R15 PolarHBondContact OE2-NH2 3.18Å; D13-R15 PolarHBondContact O-N 3.49Å; R15-M17 VanDerWaalsContact C-N 3.31Å; R15-M17 PolarHBondContact O-N 3.25Å; R15-L18 WeakPolarHBondContact O-CB 3.31Å; R15-L18 PolarHBondContact O-N 3.1Å; R15-L18 VanDerWaalsContact O-N 3.13Å; R15-H19 PolarHBondContact O-CD2 2.87Å; R15-H19 VanDerWaalsContact O-CD2 3.28Å; R15-H19 PolarHBondContact O-N 3.12Å; R15-F31 HydrophobicContact CB-CB 4.26Å; R15-F31 WeakPolarHBondContact CD-O 3.44Å; R15-F31 HydrophobicContact CG-CB 3.59Å
16F84.5Confident79.4Confident88 Ų8889.5 Ų89.539%0.38642%0.42SS..Hα-helixtrans-57.2-42.7172.9-179.3-91.5000112.1E12 D13 Y14 H19 R20 M26 F238E12-F16 PolarHBondContact O-N 3.24Å; D13-F16 PolarHBondContact O-N 3.13Å; Y14-F16 PolarHBondContact O-N 2.97Å; F16-H19 PolarHBondContact O-N 3.36Å; F16-R20 VanDerWaalsContact CE1-CD 3.44Å; F16-R20 HydrophobicContact CE1-CG 4.3Å; F16-R20 PolarHBondContact O-N 2.83Å; F16-M26 HydrophobicContact CD2-CE 3.39Å; F16-M26 HydrophobicContact CD2-SD 4.33Å; F16-M26 HydrophobicContact CE2-CE 3.78Å; F16-M26 HydrophobicContact CE2-SD 4.37Å; F16-M26 HydrophobicContact CG-CE 4.37Å; F16-F238 HydrophobicContact CB-CE1 4.33Å; F16-F238 HydrophobicContact CD2-CD1 4.27Å; F16-F238 HydrophobicContact CD2-CE1 4.23Å
17M87.2Confident81.1Confident98 Ų9887 Ų8748%0.48341%0.409SS..Hα-helixtrans-62.5-44173.2-69.5-169.8-67.900112.4D13 Y14 R15 H19 R20 I21D13-M17 WeakPolarHBondContact O-CG 3.35Å; D13-M17 PolarHBondContact O-N 2.87Å; Y14-M17 HydrophobicContact CD2-CE 3.83Å; Y14-M17 WeakPolarHBondContact O-CB 3.38Å; Y14-M17 PolarHBondContact O-N 3.12Å; R15-M17 VanDerWaalsContact C-N 3.31Å; R15-M17 PolarHBondContact O-N 3.25Å; M17-H19 PolarHBondContact O-N 3.13Å; M17-R20 PolarHBondContact O-N 3.44Å; M17-R20 VanDerWaalsContact O-N 3.15Å; M17-I21 HydrophobicContact CB-CD1 4.49Å; M17-I21 WeakPolarHBondContact O-CD1 3.26Å; M17-I21 VanDerWaalsContact O-CG1 3.26Å; M17-I21 WeakPolarHBondContact O-CG1 3.45Å; M17-I21 PolarHBondContact O-N 3.41Å
18L86.6Confident82.1Confident22 Ų2285 Ų8512%0.11540%0.397CS..Hα-helixtrans-60.1-42.9177.7-66.1-177.7000112.4Y14 R15 R20 I21 W22 F31Y14-L18 HydrophobicContact CD1-CD1 3.92Å; Y14-L18 HydrophobicContact CD1-CG 4.18Å; Y14-L18 HydrophobicContact CE1-CD1 3.73Å; Y14-L18 HydrophobicContact CE1-CD2 4.04Å; Y14-L18 HydrophobicContact CE1-CG 4.02Å; Y14-L18 WeakPolarHBondContact O-CG 3.42Å; Y14-L18 PolarHBondContact O-N 3.49Å; R15-L18 WeakPolarHBondContact O-CB 3.31Å; R15-L18 PolarHBondContact O-N 3.1Å; R15-L18 VanDerWaalsContact O-N 3.13Å; L18-R20 VanDerWaalsContact C-N 3.32Å; L18-R20 PolarHBondContact O-N 2.72Å; L18-I21 PolarHBondContact O-N 3.12Å; L18-W22 HydrophobicContact CB-CE3 3.89Å; L18-W22 HydrophobicContact CB-CZ3 3.71Å; L18-W22 HydrophobicContact CD1-CZ3 4.04Å; L18-W22 HydrophobicContact CD2-CE3 4.33Å; L18-W22 HydrophobicContact CD2-CH2 3.92Å; L18-W22 HydrophobicContact CD2-CZ3 3.61Å; L18-W22 HydrophobicContact CG-CZ3 3.95Å; L18-W22 PolarHBondContact O-N 2.77Å; L18-F31 HydrophobicContact CB-CD1 4.44Å; L18-F31 HydrophobicContact CB-CD2 3.72Å; L18-F31 HydrophobicContact CB-CE1 4.32Å; L18-F31 HydrophobicContact CB-CE2 3.58Å; L18-F31 HydrophobicContact CB-CG 4.18Å; L18-F31 HydrophobicContact CB-CZ 3.9Å; L18-F31 HydrophobicContact CD1-CB 4.24Å; L18-F31 HydrophobicContact CD1-CD1 3.94Å; L18-F31 HydrophobicContact CD1-CD2 4.25Å; L18-F31 HydrophobicContact CD1-CE1 4.42Å; L18-F31 HydrophobicContact CD1-CG 3.86Å
19H87Confident83Confident3 Ų380.5 Ų80.51%0.01438%0.378CS..Hα-helixtrans-56.3-46.3173.2-86.8-107.4000111.7R15 F16 M17 N23 L24 P25 M26 R28 F30 F31R15-H19 PolarHBondContact O-CD2 2.87Å; R15-H19 VanDerWaalsContact O-CD2 3.28Å; R15-H19 PolarHBondContact O-N 3.12Å; F16-H19 PolarHBondContact O-N 3.36Å; M17-H19 PolarHBondContact O-N 3.13Å; H19-N23 WeakPolarHBondContact O-CA 3.27Å; H19-N23 PolarHBondContact O-N 2.63Å; H19-L24 PolarHBondContact ND1-O 3.34Å; H19-L24 PolarHBondContact O-N 3.14Å; H19-P25 PolarHBondContact CE1-O 2.99Å; H19-P25 PolarHBondContact ND1-O 3.41Å; H19-M26 HydrophobicContact CB-CE 4.2Å; H19-M26 HydrophobicContact CB-SD 3.38Å; H19-M26 WeakPolarHBondContact CB-SD 3.48Å; H19-R28 PolarHBondContact CE1-O 3.11Å; H19-F30 AromaticContact CE1-CD2 3.54Å; H19-F31 AromaticContact CD2-CD2 3.46Å; H19-F31 VanDerWaalsContact CD2-CD2 3.46Å; H19-F31 WeakPolarHBondContact CD2-CD2 3.4Å; H19-F31 AromaticContact CD2-CE2 3.48Å; H19-F31 VanDerWaalsContact CD2-CE2 3.48Å; H19-F31 WeakPolarHBondContact CD2-CE2 3.14Å; H19-F31 AromaticContact CG-CE2 3.97Å; H19-F31 AromaticContact NE2-CD2 3.82Å; H19-F31 AromaticContact NE2-CE2 4Å
20R85.9Confident83.7Confident183 Ų18377.4 Ų77.469%0.69136%0.364SS*.Hα-helixtrans-67.2-39178.7-69.4-174.266.4-170.81.7113F16 M17 L18 W22 N23F16-R20 VanDerWaalsContact CE1-CD 3.44Å; F16-R20 HydrophobicContact CE1-CG 4.3Å; F16-R20 PolarHBondContact O-N 2.83Å; M17-R20 PolarHBondContact O-N 3.44Å; M17-R20 VanDerWaalsContact O-N 3.15Å; L18-R20 VanDerWaalsContact C-N 3.32Å; L18-R20 PolarHBondContact O-N 2.72Å; R20-W22 VanDerWaalsContact C-N 3.35Å; R20-N23 PolarHBondContact O-N 3.16Å
21I89Confident84.1Confident118 Ų11875.2 Ų75.261%0.60535%0.35SS*.Hα-helixtrans-62.6-41.9178.7-73.2162.4000111M17 L18M17-I21 HydrophobicContact CB-CD1 4.49Å; M17-I21 WeakPolarHBondContact O-CD1 3.26Å; M17-I21 VanDerWaalsContact O-CG1 3.26Å; M17-I21 WeakPolarHBondContact O-CG1 3.45Å; M17-I21 PolarHBondContact O-N 3.41Å; L18-I21 PolarHBondContact O-N 3.12Å
22W85.5Confident84.1Confident150 Ų15075 Ų7557%0.56835%0.345SS*.THydrogen-bonded Turntrans-98.89.9-178.2-67.8-54.6000114.4L18 R20 L24 F31L18-W22 HydrophobicContact CB-CE3 3.89Å; L18-W22 HydrophobicContact CB-CZ3 3.71Å; L18-W22 HydrophobicContact CD1-CZ3 4.04Å; L18-W22 HydrophobicContact CD2-CE3 4.33Å; L18-W22 HydrophobicContact CD2-CH2 3.92Å; L18-W22 HydrophobicContact CD2-CZ3 3.61Å; L18-W22 HydrophobicContact CG-CZ3 3.95Å; L18-W22 PolarHBondContact O-N 2.77Å; R20-W22 VanDerWaalsContact C-N 3.35Å; W22-L24 HydrophobicContact CB-CD1 4.45Å; W22-L24 HydrophobicContact CB-CD2 4.49Å; W22-L24 HydrophobicContact CB-CG 3.95Å; W22-L24 PolarHBondContact O-N 3.07Å; W22-F31 AromaticContact CE3-CE1 3.63Å; W22-F31 HydrophobicContact CE3-CE1 3.63Å; W22-F31 HydrophobicContact CE3-CE2 4.31Å; W22-F31 AromaticContact CE3-CZ 3.35Å; W22-F31 HydrophobicContact CE3-CZ 3.35Å; W22-F31 HydrophobicContact CZ3-CD1 4.21Å; W22-F31 AromaticContact CZ3-CE1 3.38Å; W22-F31 HydrophobicContact CZ3-CE1 3.38Å; W22-F31 AromaticContact CZ3-CZ 3.61Å; W22-F31 HydrophobicContact CZ3-CZ 3.61Å
23N83.9Confident84.1Confident150 Ų15084.5 Ų84.580%0.80238%0.38SS*.THydrogen-bonded Turntrans49.438.8-177.8-166.646.5000113.3H19 R20H19-N23 WeakPolarHBondContact O-CA 3.27Å; H19-N23 PolarHBondContact O-N 2.63Å; R20-N23 PolarHBondContact O-N 3.16Å
24L83.7Confident83.8Confident51 Ų5181.3 Ų81.327%0.26736%0.364SS..  trans-85.2143.2179.9-62.3-171.2000111.4H19 W22 M26 F30 F31H19-L24 PolarHBondContact ND1-O 3.34Å; H19-L24 PolarHBondContact O-N 3.14Å; W22-L24 HydrophobicContact CB-CD1 4.45Å; W22-L24 HydrophobicContact CB-CD2 4.49Å; W22-L24 HydrophobicContact CB-CG 3.95Å; W22-L24 PolarHBondContact O-N 3.07Å; L24-M26 PolarHBondContact O-N 2.99Å; L24-F30 HydrophobicContact CB-CD2 3.98Å; L24-F30 HydrophobicContact CB-CE2 3.76Å; L24-F30 HydrophobicContact CB-CZ 4.31Å; L24-F30 HydrophobicContact CD1-CB 3.97Å; L24-F30 HydrophobicContact CD1-CD1 3.88Å; L24-F30 HydrophobicContact CD1-CD2 3.75Å; L24-F30 HydrophobicContact CD1-CE1 4.19Å; L24-F30 HydrophobicContact CD1-CE2 4.05Å; L24-F30 HydrophobicContact CD1-CG 3.63Å; L24-F30 HydrophobicContact CD1-CZ 4.24Å; L24-F30 HydrophobicContact CD2-CZ 4.47Å; L24-F30 HydrophobicContact CG-CD2 4.48Å; L24-F30 HydrophobicContact CG-CE2 4.4Å; L24-F31 HydrophobicContact CD1-CE1 4.38Å; L24-F31 HydrophobicContact CD1-CE2 3.94Å; L24-F31 HydrophobicContact CD1-CZ 3.44Å; L24-F31 VanDerWaalsContact CD1-CZ 3.44Å
25P84.3Confident83.2Confident58 Ų5875.8 Ų75.838%0.37734%0.344SS..  trans-52134.5175.3-29.136.5000113.3H19 D27H19-P25 PolarHBondContact CE1-O 2.99Å; H19-P25 PolarHBondContact ND1-O 3.41Å; P25-D27 WeakPolarHBondContact CB-OD1 3.35Å; P25-D27 PolarHBondContact O-N 3.47Å
26M83Confident82.1Confident66 Ų6681.9 Ų81.933%0.32537%0.374SS..THydrogen-bonded Turntrans-78.72.5177.3-62.9-58.1-46.600113.6F16 H19 L24 F238F16-M26 HydrophobicContact CD2-CE 3.39Å; F16-M26 HydrophobicContact CD2-SD 4.33Å; F16-M26 HydrophobicContact CE2-CE 3.78Å; F16-M26 HydrophobicContact CE2-SD 4.37Å; F16-M26 HydrophobicContact CG-CE 4.37Å; H19-M26 HydrophobicContact CB-CE 4.2Å; H19-M26 HydrophobicContact CB-SD 3.38Å; H19-M26 WeakPolarHBondContact CB-SD 3.48Å; L24-M26 PolarHBondContact O-N 2.99Å; M26-F238 HydrophobicContact CE-CD1 3.71Å; M26-F238 HydrophobicContact CE-CD2 3.81Å; M26-F238 HydrophobicContact CE-CE1 3.66Å; M26-F238 HydrophobicContact CE-CE2 3.74Å; M26-F238 HydrophobicContact CE-CG 3.78Å; M26-F238 HydrophobicContact CE-CZ 3.66Å; M26-F238 WeakPolarHBondContact O-CD2 3.4Å
27D80.8Confident81.1Confident65 Ų6583.1 Ų83.135%0.34838%0.379SS..THydrogen-bonded Turntrans-957.2-17268.5-20.9000114.1P25 R234P25-D27 WeakPolarHBondContact CB-OD1 3.35Å; P25-D27 PolarHBondContact O-N 3.47Å; D27-R234 WeakPolarHBondContact O-CD 3.3Å; D27-R234 PolarHBondContact O-NH1 2.84Å; D27-R234 IonicContact OD2-NH1 3.69Å
28R81.5Confident79.7Confident67 Ų6787.5 Ų87.525%0.25340%0.398SS..SBendtrans-155159.8-176.173.1-159.981.8-173.2-3.8112.4H19 F30 Y93H19-R28 PolarHBondContact CE1-O 3.11Å; R28-F30 VanDerWaalsContact CD-CZ 3.47Å; R28-F30 HydrophobicContact CG-CD2 3.74Å; R28-F30 HydrophobicContact CG-CE2 3.25Å; R28-F30 HydrophobicContact CG-CZ 3.72Å; R28-Y93 WeakPolarHBondContact CA-OH 3.36Å
29C81.2Confident77.9Confident6 Ų694.8 Ų94.84%0.04144%0.437CS..  trans-83.9126.2175.1-107.50000111.9R32 N91 I237C29-R32 WeakPolarHBondContact SG-CD 3.37Å; C29-N91 WeakPolarHBondContact CB-O 3.36Å; C29-I237 HydrophobicContact CB-CD1 3.83Å; C29-I237 WeakPolarHBondContact SG-CD1 3.45Å
30F81.1Confident76.2Confident43 Ų4399.2 Ų99.219%0.18947%0.474CS..SBendtrans-116.4-19.8170.1-71-83.9000114.4H19 L24 R28 F37H19-F30 AromaticContact CE1-CD2 3.54Å; L24-F30 HydrophobicContact CB-CD2 3.98Å; L24-F30 HydrophobicContact CB-CE2 3.76Å; L24-F30 HydrophobicContact CB-CZ 4.31Å; L24-F30 HydrophobicContact CD1-CB 3.97Å; L24-F30 HydrophobicContact CD1-CD1 3.88Å; L24-F30 HydrophobicContact CD1-CD2 3.75Å; L24-F30 HydrophobicContact CD1-CE1 4.19Å; L24-F30 HydrophobicContact CD1-CE2 4.05Å; L24-F30 HydrophobicContact CD1-CG 3.63Å; L24-F30 HydrophobicContact CD1-CZ 4.24Å; L24-F30 HydrophobicContact CD2-CZ 4.47Å; L24-F30 HydrophobicContact CG-CD2 4.48Å; L24-F30 HydrophobicContact CG-CE2 4.4Å; R28-F30 VanDerWaalsContact CD-CZ 3.47Å; R28-F30 HydrophobicContact CG-CD2 3.74Å; R28-F30 HydrophobicContact CG-CE2 3.25Å; R28-F30 HydrophobicContact CG-CZ 3.72Å; F30-F37 HydrophobicContact CB-CE2 4.39Å; F30-F37 HydrophobicContact CD1-CE1 4.32Å; F30-F37 HydrophobicContact CD1-CE2 4.01Å; F30-F37 AromaticContact CD1-CZ 3.62Å; F30-F37 HydrophobicContact CD1-CZ 3.62Å; F30-F37 HydrophobicContact CE1-CZ 4.33Å; F30-F37 HydrophobicContact CG-CZ 4.41Å; F30-F37 WeakPolarHBondContact O-CE2 3.22Å
31F81.6Confident74.4Confident56 Ų56100 Ų10025%0.24648%0.482CS..SBendtrans-125.511.4-164.5-57.4-60.1000114.8R15 L18 H19 W22 L24R15-F31 HydrophobicContact CB-CB 4.26Å; R15-F31 WeakPolarHBondContact CD-O 3.44Å; R15-F31 HydrophobicContact CG-CB 3.59Å; L18-F31 HydrophobicContact CB-CD1 4.44Å; L18-F31 HydrophobicContact CB-CD2 3.72Å; L18-F31 HydrophobicContact CB-CE1 4.32Å; L18-F31 HydrophobicContact CB-CE2 3.58Å; L18-F31 HydrophobicContact CB-CG 4.18Å; L18-F31 HydrophobicContact CB-CZ 3.9Å; L18-F31 HydrophobicContact CD1-CB 4.24Å; L18-F31 HydrophobicContact CD1-CD1 3.94Å; L18-F31 HydrophobicContact CD1-CD2 4.25Å; L18-F31 HydrophobicContact CD1-CE1 4.42Å; L18-F31 HydrophobicContact CD1-CG 3.86Å; H19-F31 AromaticContact CD2-CD2 3.46Å; H19-F31 VanDerWaalsContact CD2-CD2 3.46Å; H19-F31 WeakPolarHBondContact CD2-CD2 3.4Å; H19-F31 AromaticContact CD2-CE2 3.48Å; H19-F31 VanDerWaalsContact CD2-CE2 3.48Å; H19-F31 WeakPolarHBondContact CD2-CE2 3.14Å; H19-F31 AromaticContact CG-CE2 3.97Å; H19-F31 AromaticContact NE2-CD2 3.82Å; H19-F31 AromaticContact NE2-CE2 4Å; W22-F31 AromaticContact CE3-CE1 3.63Å; W22-F31 HydrophobicContact CE3-CE1 3.63Å; W22-F31 HydrophobicContact CE3-CE2 4.31Å; W22-F31 AromaticContact CE3-CZ 3.35Å; W22-F31 HydrophobicContact CE3-CZ 3.35Å; W22-F31 HydrophobicContact CZ3-CD1 4.21Å; W22-F31 AromaticContact CZ3-CE1 3.38Å; W22-F31 HydrophobicContact CZ3-CE1 3.38Å; W22-F31 AromaticContact CZ3-CZ 3.61Å; W22-F31 HydrophobicContact CZ3-CZ 3.61Å; L24-F31 HydrophobicContact CD1-CE1 4.38Å; L24-F31 HydrophobicContact CD1-CE2 3.94Å; L24-F31 HydrophobicContact CD1-CZ 3.44Å; L24-F31 VanDerWaalsContact CD1-CZ 3.44Å
32R82.1Confident72.3Confident65 Ų65104.1 Ų104.125%0.24550%0.499CS..SBendtrans-76.8153.6167.1-71.3-175.7177.4170.6-2.6109.3E12 C29 T34 C35 G92E12-R32 IonicContact OE1-CZ 3.56Å; E12-R32 IonicContact OE1-NE 3.61Å; E12-R32 IonicContact OE1-NH2 3.54Å; E12-R32 PolarHBondContact OE1-NH2 3.1Å; C29-R32 WeakPolarHBondContact SG-CD 3.37Å; R32-T34 PolarHBondContact O-N 3.07Å; R32-T34 VanDerWaalsContact O-N 3.13Å; R32-C35 VanDerWaalsContact O-CB 3.26Å; R32-C35 WeakPolarHBondContact O-CB 3.36Å; R32-C35 PolarHBondContact O-N 3.15Å; R32-G92 WeakPolarHBondContact CD-O 3.42Å; R32-G92 PolarHBondContact NH1-O 3.42Å
33R81.4Confident70.4Confident229 Ų22999.9 Ų99.986%0.86450%0.502SS*.THydrogen-bonded Turntrans-59.5-27.8-173.6-69.7-177.7179173.9-1.1114.1
34T77.2Confident68.3Low37 Ų37101.8 Ų101.823%0.22751%0.506CS..THydrogen-bonded Turntrans-81.3-17.2177.842.20000113.4R32 Q36 V89 G92R32-T34 PolarHBondContact O-N 3.07Å; R32-T34 VanDerWaalsContact O-N 3.13Å; T34-Q36 VanDerWaalsContact C-N 3.3Å; T34-Q36 PolarHBondContact O-N 2.94Å; T34-V89 VanDerWaalsContact CB-O 3.29Å; T34-V89 WeakPolarHBondContact CB-O 3.46Å; T34-V89 PolarHBondContact OG1-O 3.42Å; T34-G92 VanDerWaalsContact OG1-CA 3.24Å; T34-G92 WeakPolarHBondContact OG1-CA 3.29Å
35C72.5Confident66.6Low15 Ų15106.7 Ų106.710%0.10153%0.532CS..  trans-71.782173.3-55.90000110.4R32 F37 L90R32-C35 VanDerWaalsContact O-CB 3.26Å; R32-C35 WeakPolarHBondContact O-CB 3.36Å; R32-C35 PolarHBondContact O-N 3.15Å; C35-F37 HydrophobicContact CB-CE2 3.85Å; C35-F37 HydrophobicContact CB-CZ 4.35Å; C35-L90 WeakPolarHBondContact CA-O 3.32Å
36Q65.2Low64.9Low150 Ų150110.7 Ų110.770%0.70155%0.548SS*.  trans-95.7120174.5-61.9-171.911.600109.4T34T34-Q36 VanDerWaalsContact C-N 3.3Å; T34-Q36 PolarHBondContact O-N 2.94Å
37F62.1Low63.3Low113 Ų113118.7 Ų118.750%0.49658%0.575SS.*  trans-110.4118175.3-60.1-83.2000109F30 C35F30-F37 HydrophobicContact CB-CE2 4.39Å; F30-F37 HydrophobicContact CD1-CE1 4.32Å; F30-F37 HydrophobicContact CD1-CE2 4.01Å; F30-F37 AromaticContact CD1-CZ 3.62Å; F30-F37 HydrophobicContact CD1-CZ 3.62Å; F30-F37 HydrophobicContact CE1-CZ 4.33Å; F30-F37 HydrophobicContact CG-CZ 4.41Å; F30-F37 WeakPolarHBondContact O-CE2 3.22Å; C35-F37 HydrophobicContact CB-CE2 3.85Å; C35-F37 HydrophobicContact CB-CZ 4.35Å
38E57.8Low62.2Low190 Ų190119.2 Ų119.289%0.88858%0.581SS**  trans-80.3144.5163.3-64.5-165.7156.300109.8A40E38-A40 PolarHBondContact O-N 2.85Å
39L50Low62.1Low176 Ų176119.8 Ų119.892%0.92160%0.599SS**  trans-65.5108.2170.7-76.6166.1000108.7K41L39-K41 PolarHBondContact O-N 3.16Å
40A51.1Low62.4Low96 Ų96120.5 Ų120.579%0.79361%0.608SS**  trans-57.1125.3174.800000109.7E38E38-A40 PolarHBondContact O-N 2.85Å
41K47.4Very low62.9Low199 Ų199123 Ų12387%0.86562%0.618SS**  trans-63.7135.5165.5-68.1179.9179.6175.60107.8L39 G43L39-K41 PolarHBondContact O-N 3.16Å; K41-G43 PolarHBondContact O-N 3.05Å
42E45.8Very low63.4Low204 Ų204123.6 Ų123.695%0.95363%0.627SS**  trans-54.7110.8179-68.5-175.6147.900110.1
43G45Very low64Low62 Ų62120.9 Ų120.964%0.63962%0.619SS**  trans-94.6140.9172.600000109.9K41 L45K41-G43 PolarHBondContact O-N 3.05Å; G43-L45 PolarHBondContact O-N 2.73Å; G43-L45 VanDerWaalsContact O-N 3.08Å
44E40.1Very low64.7Low190 Ų190113 Ų11389%0.88860%0.595SS**  trans-65.3110177.4-160.7172.6-162.100109.9I46E44-I46 PolarHBondContact O-N 3.26Å
45L47.6Very low65.6Low154 Ų154112.1 Ų112.181%0.80659%0.59SS**  trans-71.594.7-179.7-115.4133.6000109.3G43 R47G43-L45 PolarHBondContact O-N 2.73Å; G43-L45 VanDerWaalsContact O-N 3.08Å; L45-R47 PolarHBondContact O-N 2.86Å
46I48.5Very low66.6Low141 Ų141113.7 Ų113.772%0.72360%0.596SS**  trans-62.899.2175.9-57.2178.5000108.9E44 T48E44-I46 PolarHBondContact O-N 3.26Å; I46-T48 HydrophobicContact CG2-CG2 4.12Å; I46-T48 PolarHBondContact O-N 2.69Å; I46-T48 VanDerWaalsContact O-N 3.11Å
47R50Low67.8Low235 Ų235108.3 Ų108.389%0.88758%0.581SS**  trans-8177.2173.9-71.7-175.8169.4-147.6-1.6110.6L45L45-R47 PolarHBondContact O-N 2.86Å
48T57.8Low69.3Low76 Ų76105 Ų10547%0.46657%0.57SS.*  trans-74.2149.8161.439.70000110.6I46 G50 F181I46-T48 HydrophobicContact CG2-CG2 4.12Å; I46-T48 PolarHBondContact O-N 2.69Å; I46-T48 VanDerWaalsContact O-N 3.11Å; T48-G50 PolarHBondContact O-N 2.87Å; T48-F181 WeakPolarHBondContact OG1-CE2 3.32Å
49A77.9Confident71.1Confident78 Ų7899.5 Ų99.565%0.64554%0.542SS*.SBendtrans-77.470.3178.100000111.2E184A49-E184 PolarHBondContact O-N 2.82Å
50G87.7Confident73.3Confident21 Ų2195.8 Ų95.822%0.21652%0.52CS..EExtended strand (participates in β ladder)trans-160.7169.6-178.500000113.3T48 I182T48-G50 PolarHBondContact O-N 2.87Å; G50-I182 CarbonylContact C-O 3.5Å; G50-I182 WeakPolarHBondContact CA-O 3.25Å
51K92Very high75.5Confident95 Ų9593 Ų9341%0.41349%0.489SS..EExtended strand (participates in β ladder)trans-89.8119.1178.7-61.5171.4-170166.50109.3L156 F181 I182 E184K51-L156 HydrophobicContact CB-CD1 4.08Å; K51-L156 HydrophobicContact CB-CD2 3.91Å; K51-L156 HydrophobicContact CD-CD2 4.08Å; K51-F181 WeakPolarHBondContact O-CA 3.35Å; K51-I182 PolarHBondContact N-O 2.81Å; K51-I182 PolarHBondContact O-N 3.36Å; K51-E184 WeakPolarHBondContact CE-OE1 3.34Å; K51-E184 HydrophobicContact CG-CG 4.33Å; K51-E184 WeakPolarHBondContact CG-OE1 3.37Å
52T92.9Very high77.9Confident69 Ų6984.4 Ų84.442%0.42345%0.452SS..EExtended strand (participates in β ladder)trans-113.7142.3175.1-44.20000110.5V54 V180 F181 W215T52-V54 HydrophobicContact CG2-CG1 4.19Å; T52-V180 WeakPolarHBondContact CA-O 3.35Å; T52-F181 WeakPolarHBondContact OG1-CD2 3.26Å; T52-W215 HydrophobicContact CG2-CH2 4.12Å; T52-W215 HydrophobicContact CG2-CZ2 4.36Å
53A94.5Very high80.4Confident9 Ų975 Ų757%0.07441%0.408CS..EExtended strand (participates in β ladder)trans-143.5144.9159.400000109.7L156 F159 K160 G179 V180A53-L156 HydrophobicContact CB-CD1 3.72Å; A53-L156 HydrophobicContact CB-CG 4.42Å; A53-F159 HydrophobicContact CB-CB 3.53Å; A53-K160 HydrophobicContact CB-CG 3.93Å; A53-G179 CarbonylContact O-C 3.58Å; A53-G179 WeakPolarHBondContact O-CA 3.17Å; A53-V180 PolarHBondContact N-O 3.36Å; A53-V180 PolarHBondContact O-N 3.08Å
54V95.2Very high82.9Confident62 Ų6272.6 Ų72.638%0.37638%0.38SS..EExtended strand (participates in β ladder)trans-137.4164.9-177.2-58.50000110.3T52 L178 W215T52-V54 HydrophobicContact CG2-CG1 4.19Å; V54-L178 CarbonylContact C-O 3.57Å; V54-L178 VanDerWaalsContact CA-O 3.29Å; V54-L178 WeakPolarHBondContact CA-O 3.39Å; V54-W215 HydrophobicContact CG1-CH2 4.39Å; V54-W215 HydrophobicContact CG1-CZ2 4.36Å
55V95.9Very high85.6Confident19 Ų1967.1 Ų67.112%0.11536%0.355CS..  trans-49.1137168.559.10000111.5Y59 G163 P165 L178V55-Y59 HydrophobicContact CG1-CD1 4.13Å; V55-Y59 HydrophobicContact CG1-CE1 3.52Å; V55-Y59 HydrophobicContact CG2-CD1 4.06Å; V55-Y59 HydrophobicContact CG2-CE1 4.31Å; V55-G163 CarbonylContact C-O 3.46Å; V55-G163 WeakPolarHBondContact CG2-O 3.43Å; V55-P165 HydrophobicContact CG2-CG 3.95Å; V55-L178 HydrophobicContact CG1-CB 4.11Å; V55-L178 HydrophobicContact CG1-CD2 4.23Å; V55-L178 PolarHBondContact N-O 3.04Å
56Q93.8Very high88Confident49 Ų4961 Ų6123%0.22932%0.322CS..  trans-106120.5-179.9-57.6177.119.600108.5W87 F159 K160 G163Q56-W87 PolarHBondContact O-NE1 2.78Å; Q56-F159 PolarHBondContact NE2-O 3.15Å; Q56-K160 PolarHBondContact NE2-O 3.24Å; Q56-G163 PolarHBondContact N-O 2.99Å
57G91Very high90.1Very high37 Ų3759.8 Ų59.838%0.38132%0.317SS..SBendtrans88.616917900000114.8N91G57-N91 WeakPolarHBondContact CA-OD1 3.29Å
58P92.8Very high92.2Very high42 Ų4255 Ų5527%0.27332%0.32SS..  trans-69155.8-171.927.8-37.2000114L90 N91P58-L90 HydrophobicContact CB-CB 4.09Å; P58-L90 HydrophobicContact CB-CD1 4.21Å; P58-L90 HydrophobicContact CG-CB 3.73Å; P58-N91 PolarHBondContact O-ND2 3.44Å
59Y96.2Very high94Very high75 Ų7554 Ų5429%0.29431%0.312SS..  trans-155.6154.1170.757.5-84.5000108.3V55 T83 P165 L178 L194V55-Y59 HydrophobicContact CG1-CD1 4.13Å; V55-Y59 HydrophobicContact CG1-CE1 3.52Å; V55-Y59 HydrophobicContact CG2-CD1 4.06Å; V55-Y59 HydrophobicContact CG2-CE1 4.31Å; Y59-T83 HydrophobicContact CD2-CG2 4.16Å; Y59-P165 HydrophobicContact CG-CG 4.45Å; Y59-L178 HydrophobicContact CD2-CD2 4.37Å; Y59-L178 HydrophobicContact CE1-CD2 4.23Å; Y59-L178 HydrophobicContact CE2-CD1 4.13Å; Y59-L178 HydrophobicContact CE2-CD2 3.83Å; Y59-L178 VanDerWaalsContact OH-CD1 3.29Å; Y59-L178 WeakPolarHBondContact OH-CD1 3.24Å; Y59-L194 HydrophobicContact CE2-CD2 4.01Å
60E96.2Very high94.9Very high98 Ų9853.1 Ų53.146%0.45830%0.296SS..  trans-95.5144.7171.7-78.2161.6173.300110.8H62 S86 L90E60-H62 PolarHBondContact O-CD2 2.96Å; E60-H62 PolarHBondContact O-N 2.89Å; E60-H62 IonicContact OE2-CE1 3.82Å; E60-H62 IonicContact OE2-NE2 2.87Å; E60-S86 PolarHBondContact N-OG 3.45Å; E60-S86 PolarHBondContact O-OG 3.47Å; E60-L90 HydrophobicContact CG-CD1 4.02Å
61Y97.5Very high95.4Very high38 Ų3852.1 Ų52.115%0.14929%0.286CS..  trans-85.7108.2175.1175.7-151.4000110.4H63 Q66 L194 D195 Y198 I207Y61-H63 AromaticContact CD1-CD2 3.8Å; Y61-H63 HydrophobicContact CD2-CB 4.44Å; Y61-H63 AromaticContact CE1-CD2 3.65Å; Y61-H63 HydrophobicContact CE2-CB 3.85Å; Y61-H63 AromaticContact CZ-CD2 3.9Å; Y61-Q66 PolarHBondContact O-NE2 3.13Å; Y61-Q66 VanDerWaalsContact O-NE2 3.12Å; Y61-L194 HydrophobicContact CD1-CD1 4.18Å; Y61-L194 HydrophobicContact CD2-CD1 3.53Å; Y61-L194 HydrophobicContact CD2-CD2 3.56Å; Y61-L194 HydrophobicContact CD2-CG 3.55Å; Y61-L194 HydrophobicContact CE1-CD1 4.16Å; Y61-L194 HydrophobicContact CE2-CD1 3.49Å; Y61-L194 VanDerWaalsContact CE2-CD1 3.49Å; Y61-L194 HydrophobicContact CE2-CD2 4.15Å; Y61-L194 HydrophobicContact CE2-CG 3.6Å; Y61-L194 HydrophobicContact CG-CD1 3.85Å; Y61-L194 HydrophobicContact CG-CD2 4.12Å; Y61-L194 HydrophobicContact CG-CG 4.29Å; Y61-D195 PolarHBondContact OH-O 3.02Å; Y61-Y198 HydrophobicContact CE1-CD1 4.21Å; Y61-Y198 WeakPolarHBondContact OH-CB 3.49Å; Y61-I207 HydrophobicContact CD1-CD1 3.99Å; Y61-I207 HydrophobicContact CD1-CG2 4.4Å; Y61-I207 HydrophobicContact CE1-CD1 3.82Å; Y61-I207 HydrophobicContact CE1-CG1 4.1Å; Y61-I207 HydrophobicContact CE1-CG2 3.77Å
62H98.4Very high95.6Very high18 Ų1854.1 Ų54.18%0.08329%0.291CS..  trans-98.9134.3171.6-60.8-89.5000111.4E60 R79 Q82 T83E60-H62 PolarHBondContact O-CD2 2.96Å; E60-H62 PolarHBondContact O-N 2.89Å; E60-H62 IonicContact OE2-CE1 3.82Å; E60-H62 IonicContact OE2-NE2 2.87Å; H62-R79 HydrophobicContact CB-CB 4.48Å; H62-Q82 HydrophobicContact CB-CB 3.64Å; H62-Q82 PolarHBondContact CD2-O 3.2Å; H62-Q82 VanDerWaalsContact CG-CB 3.45Å; H62-T83 PolarHBondContact CD2-N 3.28Å; H62-T83 PolarHBondContact N-OG1 2.76Å; H62-T83 VanDerWaalsContact N-OG1 3.15Å
63H97.8Very high95.7Very high7 Ų754 Ų543%0.03230%0.303CS..  trans-148.5177.2-177.263.979000112.3Y61 Q66 R79 P196 Y198 G200 E202Y61-H63 AromaticContact CD1-CD2 3.8Å; Y61-H63 HydrophobicContact CD2-CB 4.44Å; Y61-H63 AromaticContact CE1-CD2 3.65Å; Y61-H63 HydrophobicContact CE2-CB 3.85Å; Y61-H63 AromaticContact CZ-CD2 3.9Å; H63-Q66 PolarHBondContact CD2-NE2 2.95Å; H63-Q66 VanDerWaalsContact CD2-NE2 3.3Å; H63-Q66 PolarHBondContact O-OE1 3.32Å; H63-R79 VanDerWaalsContact O-CD 3.29Å; H63-R79 WeakPolarHBondContact O-CD 3.11Å; H63-R79 VanDerWaalsContact O-CZ 3.24Å; H63-R79 PolarHBondContact O-NE 3.13Å; H63-P196 WeakPolarHBondContact CA-O 3.29Å; H63-P196 WeakPolarHBondContact CB-O 3.43Å; H63-Y198 WeakPolarHBondContact CB-O 3.29Å; H63-Y198 AromaticContact CD2-CD1 3.89Å; H63-Y198 PolarHBondContact CE1-O 2.91Å; H63-Y198 AromaticContact CG-CD1 3.95Å; H63-Y198 AromaticContact ND1-CD1 3.79Å; H63-Y198 PolarHBondContact ND1-O 3.11Å; H63-Y198 AromaticContact NE2-CD1 3.95Å; H63-G200 PolarHBondContact NE2-O 3.19Å; H63-E202 IonicContact NE2-OE1 3.79Å
64Y98.1Very high95.8Very high12 Ų1254.8 Ų54.85%0.04730%0.304CS..THydrogen-bonded Turntrans-57.7155.5-179.5-70.2-26.5000113.6Q66 D71 R72 G73 C76 R79 P196 H197 Y198 T199Y64-Q66 PolarHBondContact O-N 3.12Å; Y64-Q66 VanDerWaalsContact O-N 3.13Å; Y64-D71 WeakPolarHBondContact CA-OD1 3.13Å; Y64-D71 WeakPolarHBondContact CD1-OD2 3.38Å; Y64-D71 VanDerWaalsContact CE1-O 3.23Å; Y64-D71 WeakPolarHBondContact CE1-O 3.41Å; Y64-R72 HydrophobicContact CD2-CB 4.32Å; Y64-R72 HydrophobicContact CD2-CG 3.92Å; Y64-R72 HydrophobicContact CE2-CB 4.49Å; Y64-R72 HydrophobicContact CG-CG 4.16Å; Y64-G73 PolarHBondContact OH-N 3.47Å; Y64-C76 HydrophobicContact CE1-CB 4.32Å; Y64-C76 WeakPolarHBondContact OH-CB 3.47Å; Y64-C76 PolarHBondContact OH-N 3Å; Y64-R79 HydrophobicContact CD1-CG 4.28Å; Y64-P196 PolarHBondContact N-O 2.93Å; Y64-H197 VanDerWaalsContact CD2-CA 3.49Å; Y64-H197 HydrophobicContact CD2-CB 4.17Å; Y64-H197 WeakPolarHBondContact CD2-O 3.39Å; Y64-H197 HydrophobicContact CE2-CB 3.84Å; Y64-H197 AromaticContact CE2-CD2 3.62Å; Y64-H197 AromaticContact CZ-CD2 3.75Å; Y64-H197 PolarHBondContact OH-CD2 3.06Å; Y64-Y198 WeakPolarHBondContact CB-O 3.14Å; Y64-Y198 PolarHBondContact N-O 2.97Å; Y64-Y198 VanDerWaalsContact N-O 3.11Å; Y64-T199 HydrophobicContact CD2-CG2 4.13Å
65M96.7Very high96Very high75 Ų7551.8 Ų51.837%0.36929%0.286SS..THydrogen-bonded Turntrans69-7178.7-50.8-57.8-5900115.9L69 D70 D71 R72 T199M65-L69 WeakPolarHBondContact CA-O 3.4Å; M65-D70 HydrophobicContact CE-CB 4.05Å; M65-D70 HydrophobicContact SD-CB 4.06Å; M65-D71 PolarHBondContact N-OD1 3.4Å; M65-R72 HydrophobicContact CG-CG 4.46Å; M65-R72 HydrophobicContact SD-CG 3.79Å; M65-T199 HydrophobicContact CG-CG2 4.1Å
66Q96.8Very high96Very high24 Ų2451 Ų5111%0.11228%0.282CS..G310 helixtrans-66.2156.2170.8-71179.5-22.400111.9Y61 H63 Y64 S68 L69 R79 E202Y61-Q66 PolarHBondContact O-NE2 3.13Å; Y61-Q66 VanDerWaalsContact O-NE2 3.12Å; H63-Q66 PolarHBondContact CD2-NE2 2.95Å; H63-Q66 VanDerWaalsContact CD2-NE2 3.3Å; H63-Q66 PolarHBondContact O-OE1 3.32Å; Y64-Q66 PolarHBondContact O-N 3.12Å; Y64-Q66 VanDerWaalsContact O-N 3.13Å; Q66-S68 VanDerWaalsContact C-N 3.25Å; Q66-S68 PolarHBondContact O-N 3.46Å; Q66-L69 PolarHBondContact O-N 2.81Å; Q66-R79 PolarHBondContact O-NH1 2.67Å; Q66-R79 PolarHBondContact O-NH2 3.2Å; Q66-E202 PolarHBondContact NE2-OE1 2.86Å
67N94.1Very high96.2Very high116 Ų11648.8 Ų48.862%0.6227%0.271SS*.G310 helixtrans58.632.8178.9-52.9-0.6000113.6L69N67-L69 PolarHBondContact O-N 2.85Å; N67-L69 VanDerWaalsContact O-N 3.11Å
68S93.3Very high96.6Very high134 Ų13447 Ų4794%0.93725%0.253SS*.G310 helixtrans56.923.1-180-560000114.9Q66Q66-S68 VanDerWaalsContact C-N 3.25Å; Q66-S68 PolarHBondContact O-N 3.46Å
69L95.6Very high96.8Very high57 Ų5745 Ų4530%0.29824%0.24SC..  trans-111.4121.2-179.7-179.365.4000111.1M65 Q66 N67 D71 W74 H101M65-L69 WeakPolarHBondContact CA-O 3.4Å; Q66-L69 PolarHBondContact O-N 2.81Å; N67-L69 PolarHBondContact O-N 2.85Å; N67-L69 VanDerWaalsContact O-N 3.11Å; L69-D71 HydrophobicContact CD2-CB 4.15Å; L69-D71 HydrophobicContact CG-CB 4.15Å; L69-D71 PolarHBondContact O-N 3.16Å; L69-D71 VanDerWaalsContact O-N 3.16Å; L69-W74 HydrophobicContact CD2-CH2 4.36Å; L69-W74 HydrophobicContact CD2-CZ2 4.49Å; L69-H101 HydrophobicContact CD2-CB 4.05Å
70D97.2Very high96.9Very high59 Ų5941.4 Ų41.432%0.31623%0.226SC..  trans-8190.1167.1-172.6-0.6000110.5M65 R72 K122M65-D70 HydrophobicContact CE-CB 4.05Å; M65-D70 HydrophobicContact SD-CB 4.06Å; D70-R72 WeakPolarHBondContact OD1-CB 3.49Å; D70-R72 WeakPolarHBondContact OD1-CG 3.26Å; D70-R72 IonicContact OD1-CZ 3.68Å; D70-R72 PolarHBondContact OD1-N 3.13Å; D70-R72 IonicContact OD1-NE 3.52Å; D70-R72 PolarHBondContact OD1-NE 2.71Å; D70-R72 IonicContact OD1-NH2 3.47Å; D70-R72 IonicContact OD2-CZ 3.32Å; D70-R72 IonicContact OD2-NE 3Å; D70-R72 PolarHBondContact OD2-NE 2.8Å; D70-R72 IonicContact OD2-NH2 2.73Å; D70-R72 PolarHBondContact OD2-NH2 3.49Å; D70-K122 PolarHBondContact O-NZ 2.68Å
71D97.6Very high97Very high0 Ų036.8 Ų36.80%020%0.204CC..  trans-101.814.5177.769.1-46.2000114.3Y64 M65 L69 G73 W74 G75 R79 H101Y64-D71 WeakPolarHBondContact CA-OD1 3.13Å; Y64-D71 WeakPolarHBondContact CD1-OD2 3.38Å; Y64-D71 VanDerWaalsContact CE1-O 3.23Å; Y64-D71 WeakPolarHBondContact CE1-O 3.41Å; M65-D71 PolarHBondContact N-OD1 3.4Å; L69-D71 HydrophobicContact CD2-CB 4.15Å; L69-D71 HydrophobicContact CG-CB 4.15Å; L69-D71 PolarHBondContact O-N 3.16Å; L69-D71 VanDerWaalsContact O-N 3.16Å; D71-G73 PolarHBondContact O-N 3.48Å; D71-W74 HydrophobicContact CB-CD2 4.48Å; D71-W74 HydrophobicContact CB-CH2 4.29Å; D71-W74 HydrophobicContact CB-CZ2 3.71Å; D71-W74 PolarHBondContact O-N 3.43Å; D71-G75 PolarHBondContact O-N 2.86Å; D71-G75 WeakPolarHBondContact OD2-CA 3.4Å; D71-R79 VanDerWaalsContact CG-NH2 3.3Å; D71-R79 IonicContact OD1-CZ 3.96Å; D71-R79 IonicContact OD1-NE 2.86Å; D71-R79 PolarHBondContact OD1-NE 3.41Å; D71-R79 IonicContact OD1-NH2 3.77Å; D71-R79 PolarHBondContact OD1-NH2 3.46Å; D71-R79 WeakPolarHBondContact OD2-CG 3.43Å; D71-R79 IonicContact OD2-CZ 3.1Å; D71-R79 IonicContact OD2-NE 3.89Å; D71-R79 PolarHBondContact OD2-NE 3.35Å; D71-R79 IonicContact OD2-NH2 3.2Å; D71-R79 PolarHBondContact OD2-NH2 3.34Å; D71-H101 IonicContact OD2-CD2 2.73Å; D71-H101 IonicContact OD2-CE1 2.86Å; D71-H101 IonicContact OD2-NE2 2.69Å; D71-H101 PolarHBondContact OD2-NE2 2.89Å
72R96.8Very high97Very high137 Ų13735 Ų3552%0.51720%0.197SC..THydrogen-bonded Turntrans-56.8129.8179.7-66.6177.4-65.6171-1.2111.2Y64 M65 D70 T199Y64-R72 HydrophobicContact CD2-CB 4.32Å; Y64-R72 HydrophobicContact CD2-CG 3.92Å; Y64-R72 HydrophobicContact CE2-CB 4.49Å; Y64-R72 HydrophobicContact CG-CG 4.16Å; M65-R72 HydrophobicContact CG-CG 4.46Å; M65-R72 HydrophobicContact SD-CG 3.79Å; D70-R72 WeakPolarHBondContact OD1-CB 3.49Å; D70-R72 WeakPolarHBondContact OD1-CG 3.26Å; D70-R72 IonicContact OD1-CZ 3.68Å; D70-R72 PolarHBondContact OD1-N 3.13Å; D70-R72 IonicContact OD1-NE 3.52Å; D70-R72 PolarHBondContact OD1-NE 2.71Å; D70-R72 IonicContact OD1-NH2 3.47Å; D70-R72 IonicContact OD2-CZ 3.32Å; D70-R72 IonicContact OD2-NE 3Å; D70-R72 PolarHBondContact OD2-NE 2.8Å; D70-R72 IonicContact OD2-NH2 2.73Å; D70-R72 PolarHBondContact OD2-NH2 3.49Å; R72-T199 HydrophobicContact CG-CG2 3.99Å
73G95.2Very high97Very high66 Ų6634.1 Ų34.168%0.6819%0.193SC*.THydrogen-bonded Turntrans83.6-0.7176.800000116Y64 D71Y64-G73 PolarHBondContact OH-N 3.47Å; D71-G73 PolarHBondContact O-N 3.48Å
74W96.8Very high97Very high25 Ų2533.9 Ų33.910%0.09519%0.192CC..THydrogen-bonded Turntrans-145-17.2175.565.2-83000114.7L69 D71 Y78 H101 K122 W124L69-W74 HydrophobicContact CD2-CH2 4.36Å; L69-W74 HydrophobicContact CD2-CZ2 4.49Å; D71-W74 HydrophobicContact CB-CD2 4.48Å; D71-W74 HydrophobicContact CB-CH2 4.29Å; D71-W74 HydrophobicContact CB-CZ2 3.71Å; D71-W74 PolarHBondContact O-N 3.43Å; W74-Y78 HydrophobicContact CE3-CD2 4.44Å; W74-Y78 AromaticContact CE3-CE2 3.85Å; W74-Y78 HydrophobicContact CE3-CE2 3.85Å; W74-Y78 HydrophobicContact CZ3-CD2 4.44Å; W74-Y78 AromaticContact CZ3-CE2 3.9Å; W74-Y78 HydrophobicContact CZ3-CE2 3.9Å; W74-H101 HydrophobicContact CH2-CB 4.41Å; W74-H101 AromaticContact CH2-CD2 3.77Å; W74-H101 AromaticContact CZ3-CD2 3.86Å; W74-K122 HydrophobicContact CD2-CB 3.89Å; W74-K122 HydrophobicContact CD2-CG 4.39Å; W74-K122 HydrophobicContact CG-CB 4.08Å; W74-K122 HydrophobicContact CZ2-CB 4.26Å; W74-K122 HydrophobicContact CZ2-CD 4.39Å; W74-K122 HydrophobicContact CZ2-CG 3.85Å; W74-W124 WeakPolarHBondContact O-CA 3.34Å
75G97.8Very high96.9Very high0 Ų033.4 Ų33.40%019%0.19CC..  trans-87.4-6.7-173.800000116.7D71 A77 Y78 R79D71-G75 PolarHBondContact O-N 2.86Å; D71-G75 WeakPolarHBondContact OD2-CA 3.4Å; G75-A77 VanDerWaalsContact C-N 3.3Å; G75-A77 PolarHBondContact O-N 3.44Å; G75-A77 VanDerWaalsContact O-N 3.16Å; G75-Y78 WeakPolarHBondContact O-CA 3.38Å; G75-Y78 VanDerWaalsContact O-CB 3.3Å; G75-Y78 WeakPolarHBondContact O-CB 3.49Å; G75-Y78 PolarHBondContact O-N 3.37Å; G75-R79 PolarHBondContact O-N 3.23Å
76C97.4Very high97Very high3 Ų329.9 Ų29.92%0.0217%0.173CC..Hα-helixtrans-54.6-42.2-167.451.10000113.6Y64 R79 S80 V172 A174 P196 H197Y64-C76 HydrophobicContact CE1-CB 4.32Å; Y64-C76 WeakPolarHBondContact OH-CB 3.47Å; Y64-C76 PolarHBondContact OH-N 3Å; C76-R79 PolarHBondContact O-N 3Å; C76-S80 WeakPolarHBondContact O-CB 3.15Å; C76-S80 PolarHBondContact O-N 3.49Å; C76-S80 PolarHBondContact O-OG 3.48Å; C76-V172 PolarHBondContact SG-O 3.06Å; C76-A174 HydrophobicContact CB-CB 4.08Å; C76-P196 HydrophobicContact CB-CG 3.97Å; C76-H197 VanDerWaalsContact CB-NE2 3.34Å; C76-H197 WeakPolarHBondContact CB-NE2 3.48Å
77A97.2Very high97Very high1 Ų128.8 Ų28.81%0.00817%0.168CC..Hα-helixtrans-69.9-33.6176.300000112.7G75 S80 L81 I125 L130 M167 A174G75-A77 VanDerWaalsContact C-N 3.3Å; G75-A77 PolarHBondContact O-N 3.44Å; G75-A77 VanDerWaalsContact O-N 3.16Å; A77-S80 PolarHBondContact O-N 3.45Å; A77-L81 WeakPolarHBondContact O-CB 3.45Å; A77-L81 PolarHBondContact O-N 2.87Å; A77-I125 HydrophobicContact CB-CG1 3.76Å; A77-I125 WeakPolarHBondContact CB-O 3.47Å; A77-L130 HydrophobicContact CB-CD1 3.88Å; A77-M167 HydrophobicContact CB-CE 4.18Å; A77-A174 HydrophobicContact CB-CB 3.9Å
78Y98.3Very high97.1Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-65.4-44.4173.9-60.9-102.3000111.1W74 G75 L81 Q82 H101 I104 Q105 K123 I125W74-Y78 HydrophobicContact CE3-CD2 4.44Å; W74-Y78 AromaticContact CE3-CE2 3.85Å; W74-Y78 HydrophobicContact CE3-CE2 3.85Å; W74-Y78 HydrophobicContact CZ3-CD2 4.44Å; W74-Y78 AromaticContact CZ3-CE2 3.9Å; W74-Y78 HydrophobicContact CZ3-CE2 3.9Å; G75-Y78 WeakPolarHBondContact O-CA 3.38Å; G75-Y78 VanDerWaalsContact O-CB 3.3Å; G75-Y78 WeakPolarHBondContact O-CB 3.49Å; G75-Y78 PolarHBondContact O-N 3.37Å; Y78-L81 WeakPolarHBondContact O-CB 3.32Å; Y78-L81 PolarHBondContact O-N 3.15Å; Y78-Q82 WeakPolarHBondContact O-CG 3.26Å; Y78-Q82 PolarHBondContact O-N 2.98Å; Y78-H101 HydrophobicContact CD1-CB 3.95Å; Y78-H101 AromaticContact CD1-CD2 3.91Å; Y78-H101 AromaticContact CD1-CG 3.96Å; Y78-H101 HydrophobicContact CE1-CB 4.24Å; Y78-H101 AromaticContact CG-CD2 3.63Å; Y78-I104 HydrophobicContact CD1-CB 3.97Å; Y78-I104 HydrophobicContact CD1-CD1 3.86Å; Y78-I104 HydrophobicContact CD1-CG2 3.67Å; Y78-I104 HydrophobicContact CE1-CB 4.17Å; Y78-I104 HydrophobicContact CE1-CG2 3.76Å; Y78-Q105 HydrophobicContact CE1-CG 3.97Å; Y78-Q105 PolarHBondContact OH-NE2 2.71Å; Y78-K123 WeakPolarHBondContact CE2-O 3.03Å; Y78-K123 PolarHBondContact OH-O 2.99Å; Y78-I125 HydrophobicContact CD1-CD1 3.91Å; Y78-I125 HydrophobicContact CD2-CD1 4.08Å; Y78-I125 HydrophobicContact CD2-CG1 4.03Å; Y78-I125 HydrophobicContact CE1-CD1 3.79Å; Y78-I125 HydrophobicContact CE1-CG1 4.48Å; Y78-I125 HydrophobicContact CE2-CD1 3.98Å; Y78-I125 HydrophobicContact CE2-CG1 3.79Å; Y78-I125 HydrophobicContact CE2-CG2 4.37Å; Y78-I125 HydrophobicContact CG-CD1 4.07Å; Y78-I125 HydrophobicContact CG-CG1 4.5Å
79R98.3Very high97.1Very high0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-66.1-37.1175.6-58.8-53.7-176.5168.19.2112.4H62 H63 Y64 Q66 D71 G75 C76 L81 Q82 T83 H101 P196H62-R79 HydrophobicContact CB-CB 4.48Å; H63-R79 VanDerWaalsContact O-CD 3.29Å; H63-R79 WeakPolarHBondContact O-CD 3.11Å; H63-R79 VanDerWaalsContact O-CZ 3.24Å; H63-R79 PolarHBondContact O-NE 3.13Å; Y64-R79 HydrophobicContact CD1-CG 4.28Å; Q66-R79 PolarHBondContact O-NH1 2.67Å; Q66-R79 PolarHBondContact O-NH2 3.2Å; D71-R79 VanDerWaalsContact CG-NH2 3.3Å; D71-R79 IonicContact OD1-CZ 3.96Å; D71-R79 IonicContact OD1-NE 2.86Å; D71-R79 PolarHBondContact OD1-NE 3.41Å; D71-R79 IonicContact OD1-NH2 3.77Å; D71-R79 PolarHBondContact OD1-NH2 3.46Å; D71-R79 WeakPolarHBondContact OD2-CG 3.43Å; D71-R79 IonicContact OD2-CZ 3.1Å; D71-R79 IonicContact OD2-NE 3.89Å; D71-R79 PolarHBondContact OD2-NE 3.35Å; D71-R79 IonicContact OD2-NH2 3.2Å; D71-R79 PolarHBondContact OD2-NH2 3.34Å; G75-R79 PolarHBondContact O-N 3.23Å; C76-R79 PolarHBondContact O-N 3Å; R79-L81 VanDerWaalsContact C-N 3.35Å; R79-Q82 PolarHBondContact O-N 3.4Å; R79-T83 PolarHBondContact O-N 3.39Å; R79-T83 PolarHBondContact O-OG1 3.41Å; R79-H101 PolarHBondContact NE-CE1 3.24Å; R79-H101 VanDerWaalsContact NE-CE1 3.32Å; R79-P196 HydrophobicContact CB-CB 3.68Å
80S97.7Very high97Very high0 Ų017.6 Ų17.60%010%0.098CC..Hα-helixtrans-61.7-42170.3-57.10000111.9C76 A77 T83 I84C76-S80 WeakPolarHBondContact O-CB 3.15Å; C76-S80 PolarHBondContact O-N 3.49Å; C76-S80 PolarHBondContact O-OG 3.48Å; A77-S80 PolarHBondContact O-N 3.45Å; S80-T83 PolarHBondContact O-N 3.01Å; S80-I84 PolarHBondContact O-N 2.82Å
81L97.7Very high96.8Very high0 Ų015.4 Ų15.40%09%0.086CC..Hα-helixtrans-63.7-44.2174.9-177.456000111.8A77 Y78 R79 T83 I84 W85 I104 L130 V133 L134A77-L81 WeakPolarHBondContact O-CB 3.45Å; A77-L81 PolarHBondContact O-N 2.87Å; Y78-L81 WeakPolarHBondContact O-CB 3.32Å; Y78-L81 PolarHBondContact O-N 3.15Å; R79-L81 VanDerWaalsContact C-N 3.35Å; L81-T83 VanDerWaalsContact C-N 3.32Å; L81-T83 PolarHBondContact O-N 3.45Å; L81-I84 CarbonylContact O-C 3.51Å; L81-I84 PolarHBondContact O-N 3.13Å; L81-W85 HydrophobicContact CD1-CE3 4.47Å; L81-W85 WeakPolarHBondContact O-CB 3.46Å; L81-W85 PolarHBondContact O-N 2.97Å; L81-I104 HydrophobicContact CD2-CD1 3.9Å; L81-I104 HydrophobicContact CD2-CG1 3.91Å; L81-I104 HydrophobicContact CD2-CG2 3.95Å; L81-L130 HydrophobicContact CB-CD2 3.86Å; L81-L130 HydrophobicContact CB-CG 3.85Å; L81-L130 HydrophobicContact CD1-CB 4.43Å; L81-L130 HydrophobicContact CD1-CD2 4.38Å; L81-L130 HydrophobicContact CD1-CG 4.08Å; L81-L130 HydrophobicContact CD2-CG 4.17Å; L81-L130 HydrophobicContact CG-CG 4.24Å; L81-V133 HydrophobicContact CD2-CB 4.16Å; L81-V133 HydrophobicContact CD2-CG1 3.86Å; L81-L134 HydrophobicContact CD1-CD1 4.2Å; L81-L134 HydrophobicContact CD1-CD2 3.69Å; L81-L134 HydrophobicContact CD1-CG 3.72Å
82Q98.4Very high96.5Very high0 Ų015.5 Ų15.50%09%0.087CC..Hα-helixtrans-59.9-42177.2-71.9175.5-25.800111.4H62 Y78 R79 W85 S86 V98 P99H62-Q82 HydrophobicContact CB-CB 3.64Å; H62-Q82 PolarHBondContact CD2-O 3.2Å; H62-Q82 VanDerWaalsContact CG-CB 3.45Å; Y78-Q82 WeakPolarHBondContact O-CG 3.26Å; Y78-Q82 PolarHBondContact O-N 2.98Å; R79-Q82 PolarHBondContact O-N 3.4Å; Q82-W85 WeakPolarHBondContact O-CB 3.47Å; Q82-W85 PolarHBondContact O-N 3.19Å; Q82-W85 VanDerWaalsContact O-N 3.14Å; Q82-S86 PolarHBondContact O-N 3.36Å; Q82-S86 PolarHBondContact O-OG 2.97Å; Q82-V98 HydrophobicContact CB-CG1 3.59Å; Q82-V98 HydrophobicContact CG-CG1 3.6Å; Q82-P99 PolarHBondContact NE2-O 2.85Å
83T98.1Very high96.3Very high1 Ų110.3 Ų10.31%0.0067%0.068CC..Hα-helixtrans-62.4-40.1173.4-58.40000112.9Y59 H62 R79 S80 L81 W85 S86 V176 L194Y59-T83 HydrophobicContact CD2-CG2 4.16Å; H62-T83 PolarHBondContact CD2-N 3.28Å; H62-T83 PolarHBondContact N-OG1 2.76Å; H62-T83 VanDerWaalsContact N-OG1 3.15Å; R79-T83 PolarHBondContact O-N 3.39Å; R79-T83 PolarHBondContact O-OG1 3.41Å; S80-T83 PolarHBondContact O-N 3.01Å; L81-T83 VanDerWaalsContact C-N 3.32Å; L81-T83 PolarHBondContact O-N 3.45Å; T83-W85 VanDerWaalsContact C-N 3.33Å; T83-S86 PolarHBondContact O-OG 3.18Å; T83-S86 VanDerWaalsContact O-OG 3.08Å; T83-V176 HydrophobicContact CG2-CG1 4.22Å; T83-V176 HydrophobicContact CG2-CG2 4.19Å; T83-L194 HydrophobicContact CG2-CD2 3.93Å
84I97.3Very high96.2Very high1 Ų18.2 Ų8.21%0.0054%0.042CC..Hα-helixtrans-68.2-36172.9-74.3166.5000111S80 L81 W87 Y88 L134 P165 M167 P232S80-I84 PolarHBondContact O-N 2.82Å; L81-I84 CarbonylContact O-C 3.51Å; L81-I84 PolarHBondContact O-N 3.13Å; I84-W87 WeakPolarHBondContact O-CB 3.49Å; I84-Y88 HydrophobicContact CG2-CE2 3.81Å; I84-Y88 WeakPolarHBondContact O-CD2 3.48Å; I84-L134 HydrophobicContact CG2-CD1 4.08Å; I84-L134 HydrophobicContact CG2-CD2 4.36Å; I84-P165 HydrophobicContact CG1-CB 4.05Å; I84-M167 HydrophobicContact CD1-CB 3.53Å; I84-P232 HydrophobicContact CD1-CG 4.21Å; I84-P232 HydrophobicContact CG2-CB 4.46Å; I84-P232 HydrophobicContact CG2-CG 4.46Å
85W97.6Very high96Very high3 Ų313.7 Ų13.71%0.0117%0.073CC..Hα-helixtrans-68.8-46.5-178.7-160.4-70000112.4L81 Q82 T83 W87 Y88 V89 V96 P97 V98 P99 V133 L134 V137 L138L81-W85 HydrophobicContact CD1-CE3 4.47Å; L81-W85 WeakPolarHBondContact O-CB 3.46Å; L81-W85 PolarHBondContact O-N 2.97Å; Q82-W85 WeakPolarHBondContact O-CB 3.47Å; Q82-W85 PolarHBondContact O-N 3.19Å; Q82-W85 VanDerWaalsContact O-N 3.14Å; T83-W85 VanDerWaalsContact C-N 3.33Å; W85-W87 PolarHBondContact O-N 3.24Å; W85-Y88 PolarHBondContact O-N 3.25Å; W85-V89 PolarHBondContact O-N 3.14Å; W85-V96 HydrophobicContact CZ2-CB 4.32Å; W85-V96 HydrophobicContact CZ2-CG1 3.83Å; W85-V96 PolarHBondContact NE1-O 3.42Å; W85-P97 PolarHBondContact NE1-O 3.16Å; W85-P97 VanDerWaalsContact NE1-O 3.12Å; W85-V98 HydrophobicContact CB-CG1 4.48Å; W85-V98 HydrophobicContact CB-CG2 4.4Å; W85-V98 HydrophobicContact CG-CG2 4.45Å; W85-P99 HydrophobicContact CD2-CG 3.95Å; W85-P99 VanDerWaalsContact CE2-CD 3.45Å; W85-P99 HydrophobicContact CE3-CG 3.75Å; W85-P99 HydrophobicContact CH2-CG 3.87Å; W85-P99 HydrophobicContact CZ2-CG 4.13Å; W85-P99 HydrophobicContact CZ3-CG 3.72Å; W85-V133 HydrophobicContact CZ3-CG1 4.12Å; W85-L134 HydrophobicContact CE3-CD2 4.07Å; W85-L134 HydrophobicContact CZ3-CD2 4.45Å; W85-V137 HydrophobicContact CH2-CB 3.62Å; W85-V137 HydrophobicContact CH2-CG1 3.54Å; W85-V137 HydrophobicContact CH2-CG2 4.2Å; W85-V137 HydrophobicContact CZ2-CB 4.44Å; W85-V137 HydrophobicContact CZ2-CG1 3.91Å; W85-V137 HydrophobicContact CZ3-CB 4.39Å; W85-L138 HydrophobicContact CD2-CD1 3.78Å; W85-L138 HydrophobicContact CD2-CG 4.31Å; W85-L138 HydrophobicContact CE3-CD1 3.95Å; W85-L138 HydrophobicContact CE3-CG 4.31Å; W85-L138 HydrophobicContact CG-CD1 4.33Å; W85-L138 HydrophobicContact CH2-CD1 4.44Å; W85-L138 HydrophobicContact CH2-CD2 4.16Å; W85-L138 HydrophobicContact CH2-CG 3.95Å; W85-L138 HydrophobicContact CZ2-CD1 4.24Å; W85-L138 HydrophobicContact CZ2-CD2 3.63Å; W85-L138 HydrophobicContact CZ2-CG 3.87Å; W85-L138 HydrophobicContact CZ3-CD1 4.26Å; W85-L138 HydrophobicContact CZ3-CG 4.12Å
86S97.4Very high95.9Very high0 Ų016.7 Ų16.70%09%0.091CC..Hα-helixtrans-59.7-32.4178.962.30000111.6E60 Q82 T83 Y88 V89 L90E60-S86 PolarHBondContact N-OG 3.45Å; E60-S86 PolarHBondContact O-OG 3.47Å; Q82-S86 PolarHBondContact O-N 3.36Å; Q82-S86 PolarHBondContact O-OG 2.97Å; T83-S86 PolarHBondContact O-OG 3.18Å; T83-S86 VanDerWaalsContact O-OG 3.08Å; S86-Y88 PolarHBondContact O-N 2.89Å; S86-V89 PolarHBondContact O-N 2.79Å; S86-L90 WeakPolarHBondContact O-CB 3.12Å; S86-L90 VanDerWaalsContact O-CG 3.29Å; S86-L90 WeakPolarHBondContact O-CG 3.24Å; S86-L90 PolarHBondContact O-N 3.35Å
87W97Very high95.8Very high1 Ų121 Ų210%0.00412%0.119CC..Hα-helixtrans-56-46.4170-173.888.6000112.6Q56 I84 W85 V89 N91 Y93 T164 P165 R234Q56-W87 PolarHBondContact O-NE1 2.78Å; I84-W87 WeakPolarHBondContact O-CB 3.49Å; W85-W87 PolarHBondContact O-N 3.24Å; W87-V89 VanDerWaalsContact C-N 3.35Å; W87-V89 PolarHBondContact O-N 3.4Å; W87-N91 HydrophobicContact CZ2-CB 4.48Å; W87-N91 PolarHBondContact NE1-ND2 2.99Å; W87-N91 VanDerWaalsContact O-CB 3.29Å; W87-N91 WeakPolarHBondContact O-CB 3.37Å; W87-N91 PolarHBondContact O-N 2.96Å; W87-N91 PolarHBondContact O-ND2 3.43Å; W87-Y93 HydrophobicContact CE3-CD2 4.29Å; W87-Y93 HydrophobicContact CE3-CE2 4.44Å; W87-Y93 AromaticContact CH2-CD2 3.89Å; W87-Y93 HydrophobicContact CH2-CD2 3.89Å; W87-Y93 AromaticContact CH2-CE2 3.28Å; W87-Y93 HydrophobicContact CH2-CE2 3.28Å; W87-Y93 HydrophobicContact CZ2-CE2 4.16Å; W87-Y93 AromaticContact CZ3-CD2 3.54Å; W87-Y93 HydrophobicContact CZ3-CD2 3.54Å; W87-Y93 AromaticContact CZ3-CE2 3.46Å; W87-Y93 HydrophobicContact CZ3-CE2 3.46Å; W87-Y93 VanDerWaalsContact CZ3-CE2 3.46Å; W87-T164 HydrophobicContact CD2-CG2 4.12Å; W87-T164 HydrophobicContact CE3-CG2 3.81Å; W87-T164 HydrophobicContact CH2-CG2 3.49Å; W87-T164 VanDerWaalsContact CH2-CG2 3.49Å; W87-T164 HydrophobicContact CZ2-CG2 3.78Å; W87-T164 HydrophobicContact CZ3-CG2 3.5Å; W87-T164 VanDerWaalsContact CZ3-CG2 3.5Å; W87-P165 HydrophobicContact CB-CG 4.07Å; W87-P165 HydrophobicContact CG-CG 4.18Å; W87-R234 HydrophobicContact CH2-CB 4.47Å; W87-R234 HydrophobicContact CH2-CG 4.09Å
88Y95.6Very high95.8Very high2 Ų222.8 Ų22.81%0.00813%0.13CC..Hα-helixtrans-67.9-35.4178.2-62.1-89.8000113I84 W85 S86 G92 Y93 T94 L134 L138 V140 K142 P235I84-Y88 HydrophobicContact CG2-CE2 3.81Å; I84-Y88 WeakPolarHBondContact O-CD2 3.48Å; W85-Y88 PolarHBondContact O-N 3.25Å; S86-Y88 PolarHBondContact O-N 2.89Å; Y88-G92 PolarHBondContact O-N 3.18Å; Y88-Y93 HydrophobicContact CD1-CD2 4.42Å; Y88-Y93 HydrophobicContact CD1-CG 4.38Å; Y88-Y93 PolarHBondContact O-N 2.87Å; Y88-T94 PolarHBondContact O-N 3.47Å; Y88-L134 HydrophobicContact CE2-CD2 3.92Å; Y88-L138 HydrophobicContact CD2-CD1 3.66Å; Y88-L138 HydrophobicContact CE2-CD1 3.8Å; Y88-L138 HydrophobicContact CG-CD1 4.05Å; Y88-V140 HydrophobicContact CE1-CB 4.43Å; Y88-V140 HydrophobicContact CE1-CG1 4.24Å; Y88-V140 HydrophobicContact CE1-CG2 3.8Å; Y88-K142 WeakPolarHBondContact OH-CE 3.06Å; Y88-K142 PolarHBondContact OH-NZ 3Å; Y88-P235 HydrophobicContact CD1-CG 4.45Å; Y88-P235 HydrophobicContact CE1-CG 4.31Å
89V94.6Very high95.8Very high30 Ų3023.4 Ų23.418%0.18213%0.134CC..Hα-helixtrans-64.6-55.8178176.30000109.5T34 W85 S86 W87 N91 G92 T94 V96T34-V89 VanDerWaalsContact CB-O 3.29Å; T34-V89 WeakPolarHBondContact CB-O 3.46Å; T34-V89 PolarHBondContact OG1-O 3.42Å; W85-V89 PolarHBondContact O-N 3.14Å; S86-V89 PolarHBondContact O-N 2.79Å; W87-V89 VanDerWaalsContact C-N 3.35Å; W87-V89 PolarHBondContact O-N 3.4Å; V89-N91 VanDerWaalsContact C-N 3.31Å; V89-N91 PolarHBondContact O-N 2.88Å; V89-G92 PolarHBondContact O-N 3.2Å; V89-T94 HydrophobicContact CG2-CG2 3.78Å; V89-V96 WeakPolarHBondContact CG2-O 3.34Å
90L93.6Very high95.8Very high41 Ų4126.4 Ų26.422%0.21515%0.152CC..Hα-helixtrans-71.2-22.8-175.2-61171.2000113.5C35 P58 E60 S86C35-L90 WeakPolarHBondContact CA-O 3.32Å; P58-L90 HydrophobicContact CB-CB 4.09Å; P58-L90 HydrophobicContact CB-CD1 4.21Å; P58-L90 HydrophobicContact CG-CB 3.73Å; E60-L90 HydrophobicContact CG-CD1 4.02Å; S86-L90 WeakPolarHBondContact O-CB 3.12Å; S86-L90 VanDerWaalsContact O-CG 3.29Å; S86-L90 WeakPolarHBondContact O-CG 3.24Å; S86-L90 PolarHBondContact O-N 3.35Å
91N93.4Very high95.8Very high12 Ų1226.9 Ų26.96%0.06416%0.155CC..THydrogen-bonded Turntrans-92.77.5170.2-66.3-95.2000113C29 G57 P58 W87 V89 Y93C29-N91 WeakPolarHBondContact CB-O 3.36Å; G57-N91 WeakPolarHBondContact CA-OD1 3.29Å; P58-N91 PolarHBondContact O-ND2 3.44Å; W87-N91 HydrophobicContact CZ2-CB 4.48Å; W87-N91 PolarHBondContact NE1-ND2 2.99Å; W87-N91 VanDerWaalsContact O-CB 3.29Å; W87-N91 WeakPolarHBondContact O-CB 3.37Å; W87-N91 PolarHBondContact O-N 2.96Å; W87-N91 PolarHBondContact O-ND2 3.43Å; V89-N91 VanDerWaalsContact C-N 3.31Å; V89-N91 PolarHBondContact O-N 2.88Å; N91-Y93 HydrophobicContact CB-CD2 3.66Å; N91-Y93 HydrophobicContact CB-CE2 3.42Å; N91-Y93 VanDerWaalsContact CB-CE2 3.42Å; N91-Y93 PolarHBondContact O-N 2.99Å
92G91Very high95.8Very high2 Ų233.8 Ų33.82%0.02118%0.181CC..THydrogen-bonded Turntrans70.422.2171.900000116.1R32 T34 Y88 V89R32-G92 WeakPolarHBondContact CD-O 3.42Å; R32-G92 PolarHBondContact NH1-O 3.42Å; T34-G92 VanDerWaalsContact OG1-CA 3.24Å; T34-G92 WeakPolarHBondContact OG1-CA 3.29Å; Y88-G92 PolarHBondContact O-N 3.18Å; V89-G92 PolarHBondContact O-N 3.2Å
93Y92.6Very high95.8Very high29 Ų2938.4 Ų38.411%0.11420%0.202CC..SBendtrans-81-20172.6-63.6-75.4000112.9R28 W87 Y88 N91 R234 P235 I237R28-Y93 WeakPolarHBondContact CA-OH 3.36Å; W87-Y93 HydrophobicContact CE3-CD2 4.29Å; W87-Y93 HydrophobicContact CE3-CE2 4.44Å; W87-Y93 AromaticContact CH2-CD2 3.89Å; W87-Y93 HydrophobicContact CH2-CD2 3.89Å; W87-Y93 AromaticContact CH2-CE2 3.28Å; W87-Y93 HydrophobicContact CH2-CE2 3.28Å; W87-Y93 HydrophobicContact CZ2-CE2 4.16Å; W87-Y93 AromaticContact CZ3-CD2 3.54Å; W87-Y93 HydrophobicContact CZ3-CD2 3.54Å; W87-Y93 AromaticContact CZ3-CE2 3.46Å; W87-Y93 HydrophobicContact CZ3-CE2 3.46Å; W87-Y93 VanDerWaalsContact CZ3-CE2 3.46Å; Y88-Y93 HydrophobicContact CD1-CD2 4.42Å; Y88-Y93 HydrophobicContact CD1-CG 4.38Å; Y88-Y93 PolarHBondContact O-N 2.87Å; N91-Y93 HydrophobicContact CB-CD2 3.66Å; N91-Y93 HydrophobicContact CB-CE2 3.42Å; N91-Y93 VanDerWaalsContact CB-CE2 3.42Å; N91-Y93 PolarHBondContact O-N 2.99Å; Y93-R234 HydrophobicContact CE1-CG 3.75Å; Y93-R234 HydrophobicContact CE2-CG 4.29Å; Y93-R234 VanDerWaalsContact OH-CD 3.24Å; Y93-R234 WeakPolarHBondContact OH-CD 3.48Å; Y93-R234 WeakPolarHBondContact OH-CG 3.41Å; Y93-P235 HydrophobicContact CD1-CB 3.89Å; Y93-P235 HydrophobicContact CD1-CG 3.9Å; Y93-P235 WeakPolarHBondContact CE1-O 3.33Å; Y93-P235 HydrophobicContact CG-CG 4.23Å; Y93-I237 HydrophobicContact CD1-CD1 3.92Å; Y93-I237 HydrophobicContact CD1-CG1 4.18Å; Y93-I237 HydrophobicContact CE1-CD1 3.33Å; Y93-I237 HydrophobicContact CE1-CG1 3.95Å
94T92.5Very high95.8Very high21 Ų2138.3 Ų38.313%0.12920%0.202CC..  trans-148.7147.5176.3-170.10000111.4Y88 V89 V96 L138Y88-T94 PolarHBondContact O-N 3.47Å; V89-T94 HydrophobicContact CG2-CG2 3.78Å; T94-V96 WeakPolarHBondContact OG1-CB 3.42Å; T94-V96 WeakPolarHBondContact OG1-CG2 3.43Å; T94-V96 PolarHBondContact OG1-N 2.88Å; T94-V96 VanDerWaalsContact OG1-N 3.08Å; T94-L138 HydrophobicContact CG2-CD1 4.42Å; T94-L138 HydrophobicContact CG2-CD2 3.77Å; T94-L138 WeakPolarHBondContact OG1-CD2 3.47Å
95D92.2Very high95.9Very high141 Ų14138.5 Ų38.575%0.75420%0.202SC*.  trans-98.51.5167.1-62.3-49.8000111.7
96V95.3Very high95.9Very high62 Ų6241.2 Ų41.238%0.37622%0.216SC..SBendtrans-74.6121.5177.2-174.50000109.1W85 V89 T94 V137 L138W85-V96 HydrophobicContact CZ2-CB 4.32Å; W85-V96 HydrophobicContact CZ2-CG1 3.83Å; W85-V96 PolarHBondContact NE1-O 3.42Å; V89-V96 WeakPolarHBondContact CG2-O 3.34Å; T94-V96 WeakPolarHBondContact OG1-CB 3.42Å; T94-V96 WeakPolarHBondContact OG1-CG2 3.43Å; T94-V96 PolarHBondContact OG1-N 2.88Å; T94-V96 VanDerWaalsContact OG1-N 3.08Å; V96-V137 HydrophobicContact CG1-CG1 4.26Å; V96-L138 HydrophobicContact CB-CD2 4.29Å
97P96.4Very high95.9Very high93 Ų9341.5 Ų41.560%0.60422%0.217SC*.PPolyproline II helixtrans-62.9161.1-176.527.5-36000112.3W85 P99W85-P97 PolarHBondContact NE1-O 3.16Å; W85-P97 VanDerWaalsContact NE1-O 3.12Å; P97-P99 WeakPolarHBondContact O-CD 3.32Å
98V97.6Very high95.9Very high40 Ų4041.4 Ų41.424%0.24222%0.217CC..PPolyproline II helixtrans-61.2120.7176.6177.60000109.7Q82 W85Q82-V98 HydrophobicContact CB-CG1 3.59Å; Q82-V98 HydrophobicContact CG-CG1 3.6Å; W85-V98 HydrophobicContact CB-CG1 4.48Å; W85-V98 HydrophobicContact CB-CG2 4.4Å; W85-V98 HydrophobicContact CG-CG2 4.45Å
99P97.9Very high96Very high13 Ų1343.3 Ų43.38%0.08423%0.229CC..PPolyproline II helixtrans-77.2148.9-170.531.1-37.5000112.2Q82 W85 P97 E103 I104Q82-P99 PolarHBondContact NE2-O 2.85Å; W85-P99 HydrophobicContact CD2-CG 3.95Å; W85-P99 VanDerWaalsContact CE2-CD 3.45Å; W85-P99 HydrophobicContact CE3-CG 3.75Å; W85-P99 HydrophobicContact CH2-CG 3.87Å; W85-P99 HydrophobicContact CZ2-CG 4.13Å; W85-P99 HydrophobicContact CZ3-CG 3.72Å; P97-P99 WeakPolarHBondContact O-CD 3.32Å; P99-E103 HydrophobicContact CB-CB 3.97Å; P99-I104 HydrophobicContact CB-CG1 4.04Å; P99-I104 HydrophobicContact CG-CD1 4.13Å; P99-I104 HydrophobicContact CG-CG1 3.78Å
100T98.1Very high96.2Very high62 Ų6248.2 Ų48.238%0.3825%0.25SC..PPolyproline II helixtrans-70.3162.1168.563.90000111.8R102 E103 I104T100-R102 PolarHBondContact O-N 2.89Å; T100-R102 VanDerWaalsContact O-N 3.14Å; T100-E103 VanDerWaalsContact CB-OE2 3.27Å; T100-E103 WeakPolarHBondContact CB-OE2 3.45Å; T100-E103 VanDerWaalsContact CG2-OE2 3.31Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.3Å; T100-E103 PolarHBondContact N-OE2 2.98Å; T100-E103 PolarHBondContact O-N 3.31Å; T100-E103 VanDerWaalsContact O-N 3.12Å; T100-E103 WeakPolarHBondContact OG1-CG 3.39Å; T100-E103 PolarHBondContact OG1-N 3Å; T100-E103 PolarHBondContact OG1-OE2 3.49Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.15Å
101H98.1Very high96.3Very high10 Ų1049.1 Ų49.15%0.04626%0.257CS..Hα-helixtrans-54-34173.3-6245.1000112.2L69 D71 W74 Y78 R79 Q105L69-H101 HydrophobicContact CD2-CB 4.05Å; D71-H101 IonicContact OD2-CD2 2.73Å; D71-H101 IonicContact OD2-CE1 2.86Å; D71-H101 IonicContact OD2-NE2 2.69Å; D71-H101 PolarHBondContact OD2-NE2 2.89Å; W74-H101 HydrophobicContact CH2-CB 4.41Å; W74-H101 AromaticContact CH2-CD2 3.77Å; W74-H101 AromaticContact CZ3-CD2 3.86Å; Y78-H101 HydrophobicContact CD1-CB 3.95Å; Y78-H101 AromaticContact CD1-CD2 3.91Å; Y78-H101 AromaticContact CD1-CG 3.96Å; Y78-H101 HydrophobicContact CE1-CB 4.24Å; Y78-H101 AromaticContact CG-CD2 3.63Å; R79-H101 PolarHBondContact NE-CE1 3.24Å; R79-H101 VanDerWaalsContact NE-CE1 3.32Å; H101-Q105 WeakPolarHBondContact O-CG 3.46Å; H101-Q105 PolarHBondContact O-N 3.46Å
102R97.7Very high96.4Very high146 Ų14651.6 Ų51.655%0.55129%0.285SS*.Hα-helixtrans-68.2-47.7177.7-173.5-178.3172109.816.2111.7T100 I104 Q105 E106 V119T100-R102 PolarHBondContact O-N 2.89Å; T100-R102 VanDerWaalsContact O-N 3.14Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-I104 PolarHBondContact O-N 2.93Å; R102-Q105 WeakPolarHBondContact O-CB 3.38Å; R102-Q105 PolarHBondContact O-N 3.08Å; R102-Q105 VanDerWaalsContact O-N 3.13Å; R102-E106 HydrophobicContact CG-CG 4.48Å; R102-E106 IonicContact CZ-OE1 2.71Å; R102-E106 VanDerWaalsContact CZ-OE1 3.26Å; R102-E106 IonicContact NE-OE1 3.98Å; R102-E106 PolarHBondContact NE-OE1 3.32Å; R102-E106 IonicContact NH2-OE1 3.37Å; R102-E106 PolarHBondContact NH2-OE1 3.28Å; R102-E106 WeakPolarHBondContact O-CG 3.29Å; R102-E106 PolarHBondContact O-N 3.32Å; R102-V119 HydrophobicContact CG-CG1 3.88Å
103E98Very high96.7Very high96 Ų9654.2 Ų54.245%0.44930%0.299SS..Hα-helixtrans-64.5-35.8177.8-70.9157.9125.500111.8P99 T100 E106 A107P99-E103 HydrophobicContact CB-CB 3.97Å; T100-E103 VanDerWaalsContact CB-OE2 3.27Å; T100-E103 WeakPolarHBondContact CB-OE2 3.45Å; T100-E103 VanDerWaalsContact CG2-OE2 3.31Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.3Å; T100-E103 PolarHBondContact N-OE2 2.98Å; T100-E103 PolarHBondContact O-N 3.31Å; T100-E103 VanDerWaalsContact O-N 3.12Å; T100-E103 WeakPolarHBondContact OG1-CG 3.39Å; T100-E103 PolarHBondContact OG1-N 3Å; T100-E103 PolarHBondContact OG1-OE2 3.49Å; E103-E106 PolarHBondContact O-N 3.43Å; E103-A107 WeakPolarHBondContact O-CB 3.41Å; E103-A107 PolarHBondContact O-N 3.46Å
104I98.2Very high96.9Very high0 Ų055.2 Ų55.20%030%0.304CS..Hα-helixtrans-61.2-44171.6-65.9163.1000110.6Y78 L81 P99 T100 R102 A107 L108 I125 V133Y78-I104 HydrophobicContact CD1-CB 3.97Å; Y78-I104 HydrophobicContact CD1-CD1 3.86Å; Y78-I104 HydrophobicContact CD1-CG2 3.67Å; Y78-I104 HydrophobicContact CE1-CB 4.17Å; Y78-I104 HydrophobicContact CE1-CG2 3.76Å; L81-I104 HydrophobicContact CD2-CD1 3.9Å; L81-I104 HydrophobicContact CD2-CG1 3.91Å; L81-I104 HydrophobicContact CD2-CG2 3.95Å; P99-I104 HydrophobicContact CB-CG1 4.04Å; P99-I104 HydrophobicContact CG-CD1 4.13Å; P99-I104 HydrophobicContact CG-CG1 3.78Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.15Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-I104 PolarHBondContact O-N 2.93Å; I104-A107 PolarHBondContact O-N 3.12Å; I104-L108 WeakPolarHBondContact O-CG 3.29Å; I104-L108 PolarHBondContact O-N 3.3Å; I104-L108 VanDerWaalsContact O-N 3.15Å; I104-I125 HydrophobicContact CG2-CD1 3.86Å; I104-V133 HydrophobicContact CG2-CG2 4.19Å
105Q98.3Very high97.2Very high4 Ų461.5 Ų61.52%0.01933%0.332CS..Hα-helixtrans-67.1-40.3176.3-70166.6-7.600112.3Y78 H101 R102 L108 V109 F118 V119 A121Y78-Q105 HydrophobicContact CE1-CG 3.97Å; Y78-Q105 PolarHBondContact OH-NE2 2.71Å; H101-Q105 WeakPolarHBondContact O-CG 3.46Å; H101-Q105 PolarHBondContact O-N 3.46Å; R102-Q105 WeakPolarHBondContact O-CB 3.38Å; R102-Q105 PolarHBondContact O-N 3.08Å; R102-Q105 VanDerWaalsContact O-N 3.13Å; Q105-L108 PolarHBondContact O-N 3.06Å; Q105-V109 WeakPolarHBondContact O-CG2 3.48Å; Q105-V109 PolarHBondContact O-N 3.11Å; Q105-V109 VanDerWaalsContact O-N 3.1Å; Q105-F118 HydrophobicContact CB-CD1 3.97Å; Q105-F118 HydrophobicContact CB-CE1 4.28Å; Q105-F118 HydrophobicContact CG-CD1 3.82Å; Q105-F118 HydrophobicContact CG-CE1 3.71Å; Q105-F118 PolarHBondContact OE1-O 3.27Å; Q105-V119 HydrophobicContact CB-CG2 4.24Å; Q105-A121 PolarHBondContact NE2-O 3.37Å
106E98.2Very high97.4Very high61 Ų6159.4 Ų59.429%0.28533%0.328SS..Hα-helixtrans-65.8-38.6177.2-73.317117300111.2R102 E103 L108 V109 Q110 V119R102-E106 HydrophobicContact CG-CG 4.48Å; R102-E106 IonicContact CZ-OE1 2.71Å; R102-E106 VanDerWaalsContact CZ-OE1 3.26Å; R102-E106 IonicContact NE-OE1 3.98Å; R102-E106 PolarHBondContact NE-OE1 3.32Å; R102-E106 IonicContact NH2-OE1 3.37Å; R102-E106 PolarHBondContact NH2-OE1 3.28Å; R102-E106 WeakPolarHBondContact O-CG 3.29Å; R102-E106 PolarHBondContact O-N 3.32Å; E103-E106 PolarHBondContact O-N 3.43Å; E106-L108 PolarHBondContact O-N 3.3Å; E106-V109 PolarHBondContact O-N 2.38Å; E106-Q110 VanDerWaalsContact O-CG 3.26Å; E106-Q110 WeakPolarHBondContact O-CG 3.48Å; E106-Q110 PolarHBondContact O-N 2.73Å; E106-V119 HydrophobicContact CG-CB 4.36Å; E106-V119 HydrophobicContact CG-CG1 3.64Å; E106-V119 HydrophobicContact CG-CG2 3.71Å
107A97.4Very high97.5Very high5 Ų560.1 Ų60.14%0.04134%0.336CS..Hα-helixtrans-60.7-41.9171.500000112.4E103 I104 V109 Q110 V111 V133 V137E103-A107 WeakPolarHBondContact O-CB 3.41Å; E103-A107 PolarHBondContact O-N 3.46Å; I104-A107 PolarHBondContact O-N 3.12Å; A107-V109 VanDerWaalsContact C-N 3.29Å; A107-V109 PolarHBondContact O-N 3Å; A107-Q110 PolarHBondContact O-N 3.41Å; A107-V111 PolarHBondContact O-N 3.44Å; A107-V111 VanDerWaalsContact O-N 3.09Å; A107-V133 HydrophobicContact CB-CG1 4.14Å; A107-V133 HydrophobicContact CB-CG2 4.11Å; A107-V137 HydrophobicContact CB-CG2 4.21Å
108L98.1Very high97.6Very high0 Ų056.2 Ų56.20%031%0.31CS..Hα-helixtrans-65.7-29.7176-71.2168.5000113.5I104 Q105 E106 V111 D113 K114 F118 I125 E129 Y132 V133I104-L108 WeakPolarHBondContact O-CG 3.29Å; I104-L108 PolarHBondContact O-N 3.3Å; I104-L108 VanDerWaalsContact O-N 3.15Å; Q105-L108 PolarHBondContact O-N 3.06Å; E106-L108 PolarHBondContact O-N 3.3Å; L108-V111 WeakPolarHBondContact O-CG2 3.42Å; L108-D113 PolarHBondContact O-N 2.75Å; L108-D113 VanDerWaalsContact O-N 3.16Å; L108-K114 HydrophobicContact CB-CB 4.29Å; L108-K114 HydrophobicContact CB-CG 3.78Å; L108-K114 HydrophobicContact CD1-CG 4.47Å; L108-K114 PolarHBondContact O-N 2.84Å; L108-K114 VanDerWaalsContact O-N 3.12Å; L108-F118 HydrophobicContact CD1-CE1 3.86Å; L108-I125 HydrophobicContact CD1-CD1 4.45Å; L108-I125 HydrophobicContact CD1-CG2 3.93Å; L108-E129 HydrophobicContact CD1-CB 4.01Å; L108-E129 HydrophobicContact CD1-CG 4.23Å; L108-E129 HydrophobicContact CD2-CB 3.65Å; L108-E129 HydrophobicContact CD2-CG 3.93Å; L108-E129 HydrophobicContact CG-CB 4.49Å; L108-Y132 HydrophobicContact CD2-CD2 4.48Å; L108-V133 HydrophobicContact CD1-CG2 4.36Å; L108-V133 HydrophobicContact CD2-CG2 3.67Å; L108-V133 HydrophobicContact CG-CG2 3.62Å
109V98Very high97.6Very high42 Ų4256.1 Ų56.126%0.25531%0.309SS..Hα-helixtrans-74.8-39.5171.3176.70000111.3Q105 E106 A107 V111 G112 K114 Q115 V119Q105-V109 WeakPolarHBondContact O-CG2 3.48Å; Q105-V109 PolarHBondContact O-N 3.11Å; Q105-V109 VanDerWaalsContact O-N 3.1Å; E106-V109 PolarHBondContact O-N 2.38Å; A107-V109 VanDerWaalsContact C-N 3.29Å; A107-V109 PolarHBondContact O-N 3Å; V109-V111 VanDerWaalsContact C-N 3.34Å; V109-V111 PolarHBondContact O-N 2.78Å; V109-G112 PolarHBondContact O-N 2.8Å; V109-K114 WeakPolarHBondContact CA-O 3.23Å; V109-K114 HydrophobicContact CG2-CB 4.22Å; V109-Q115 WeakPolarHBondContact CG2-O 3.38Å; V109-V119 HydrophobicContact CG2-CG2 3.85Å
110Q97.1Very high97.5Very high133 Ų13358.2 Ų58.262%0.62133%0.333SS*.Hα-helixtrans-64-33.9179.2-73169.123.500113.5E106 A107 G112 H136E106-Q110 VanDerWaalsContact O-CG 3.26Å; E106-Q110 WeakPolarHBondContact O-CG 3.48Å; E106-Q110 PolarHBondContact O-N 2.73Å; A107-Q110 PolarHBondContact O-N 3.41Å; Q110-G112 VanDerWaalsContact C-N 3.27Å; Q110-H136 PolarHBondContact OE1-NE2 3.16Å
111V96Very high97.4Very high59 Ų5956.3 Ų56.336%0.35832%0.323SS..THydrogen-bonded Turntrans-80-5.5173.8-58.20000113.7A107 L108 V109 D113 H136A107-V111 PolarHBondContact O-N 3.44Å; A107-V111 VanDerWaalsContact O-N 3.09Å; L108-V111 WeakPolarHBondContact O-CG2 3.42Å; V109-V111 VanDerWaalsContact C-N 3.34Å; V109-V111 PolarHBondContact O-N 2.78Å; V111-D113 HydrophobicContact CG2-CB 3.83Å; V111-H136 HydrophobicContact CG1-CB 3.54Å; V111-H136 VanDerWaalsContact CG1-CG 3.49Å
112G96.7Very high97.4Very high64 Ų6462.5 Ų62.566%0.6635%0.35SS*.THydrogen-bonded Turntrans81.46.4-18000000115.9V109 Q110V109-G112 PolarHBondContact O-N 2.8Å; Q110-G112 VanDerWaalsContact C-N 3.27Å
113D96.7Very high97.3Very high58 Ų5860.8 Ų60.831%0.3135%0.347SS..SBendtrans-74.4-32.4178.9174.661.4000112.3L108 V111 E129 Y132L108-D113 PolarHBondContact O-N 2.75Å; L108-D113 VanDerWaalsContact O-N 3.16Å; V111-D113 HydrophobicContact CG2-CB 3.83Å; D113-E129 WeakPolarHBondContact OD2-CG 3.45Å; D113-Y132 HydrophobicContact CB-CD2 3.93Å; D113-Y132 HydrophobicContact CB-CE2 4.09Å; D113-Y132 WeakPolarHBondContact OD1-CE2 3.33Å
114K97.3Very high97.1Very high50 Ų5062.3 Ų62.322%0.21735%0.349CS..SBendtrans-124.8150.8179.9-53.8-69.9162.5150.80111.7L108 V109 F118 E129L108-K114 HydrophobicContact CB-CB 4.29Å; L108-K114 HydrophobicContact CB-CG 3.78Å; L108-K114 HydrophobicContact CD1-CG 4.47Å; L108-K114 PolarHBondContact O-N 2.84Å; L108-K114 VanDerWaalsContact O-N 3.12Å; V109-K114 WeakPolarHBondContact CA-O 3.23Å; V109-K114 HydrophobicContact CG2-CB 4.22Å; K114-F118 HydrophobicContact CB-CB 3.77Å; K114-F118 HydrophobicContact CB-CD1 3.89Å; K114-F118 HydrophobicContact CB-CD2 4.37Å; K114-F118 HydrophobicContact CB-CG 3.76Å; K114-F118 HydrophobicContact CD-CD1 4.39Å; K114-F118 HydrophobicContact CD-CD2 4.04Å; K114-F118 HydrophobicContact CD-CE1 4.39Å; K114-F118 HydrophobicContact CD-CE2 4.05Å; K114-F118 HydrophobicContact CD-CG 4.23Å; K114-F118 HydrophobicContact CD-CZ 4.25Å; K114-F118 HydrophobicContact CG-CB 4.49Å; K114-F118 HydrophobicContact CG-CD1 3.78Å; K114-F118 HydrophobicContact CG-CD2 4.26Å; K114-F118 HydrophobicContact CG-CE1 4.02Å; K114-F118 HydrophobicContact CG-CE2 4.48Å; K114-F118 HydrophobicContact CG-CG 3.93Å; K114-F118 HydrophobicContact CG-CZ 4.39Å; K114-E129 IonicContact NZ-OE1 3.55Å; K114-E129 PolarHBondContact NZ-OE1 2.98Å
115Q97.1Very high96.9Very high152 Ų15262.6 Ų62.671%0.7135%0.35SS*.  trans-73.6156170.7-65.4179.7-8.400111V109 S117 F118V109-Q115 WeakPolarHBondContact CG2-O 3.38Å; Q115-S117 PolarHBondContact O-N 3.09Å; Q115-F118 WeakPolarHBondContact O-CB 3.35Å; Q115-F118 PolarHBondContact O-N 2.98Å
116S97.2Very high96.7Very high97 Ų9763.1 Ų63.168%0.67836%0.357SS*.G310 helixtrans-53.9-29.1178.154.30000114.4F118 V119S116-F118 PolarHBondContact O-N 2.82Å; S116-F118 VanDerWaalsContact O-N 3.12Å; S116-V119 PolarHBondContact O-N 3.25Å
117S97.5Very high96.3Very high78 Ų7860.8 Ų60.855%0.54535%0.347SS..G310 helixtrans-64.5-6.1173.260.50000114.9Q115Q115-S117 PolarHBondContact O-N 3.09Å
118F97.6Very high95.9Very high11 Ų1164.7 Ų64.75%0.04837%0.367CS..G310 helixtrans-78.6-27173.3-166.2-106.3000112.8Q105 L108 K114 Q115 S116 G120 A121 K123 I125Q105-F118 HydrophobicContact CB-CD1 3.97Å; Q105-F118 HydrophobicContact CB-CE1 4.28Å; Q105-F118 HydrophobicContact CG-CD1 3.82Å; Q105-F118 HydrophobicContact CG-CE1 3.71Å; Q105-F118 PolarHBondContact OE1-O 3.27Å; L108-F118 HydrophobicContact CD1-CE1 3.86Å; K114-F118 HydrophobicContact CB-CB 3.77Å; K114-F118 HydrophobicContact CB-CD1 3.89Å; K114-F118 HydrophobicContact CB-CD2 4.37Å; K114-F118 HydrophobicContact CB-CG 3.76Å; K114-F118 HydrophobicContact CD-CD1 4.39Å; K114-F118 HydrophobicContact CD-CD2 4.04Å; K114-F118 HydrophobicContact CD-CE1 4.39Å; K114-F118 HydrophobicContact CD-CE2 4.05Å; K114-F118 HydrophobicContact CD-CG 4.23Å; K114-F118 HydrophobicContact CD-CZ 4.25Å; K114-F118 HydrophobicContact CG-CB 4.49Å; K114-F118 HydrophobicContact CG-CD1 3.78Å; K114-F118 HydrophobicContact CG-CD2 4.26Å; K114-F118 HydrophobicContact CG-CE1 4.02Å; K114-F118 HydrophobicContact CG-CE2 4.48Å; K114-F118 HydrophobicContact CG-CG 3.93Å; K114-F118 HydrophobicContact CG-CZ 4.39Å; Q115-F118 WeakPolarHBondContact O-CB 3.35Å; Q115-F118 PolarHBondContact O-N 2.98Å; S116-F118 PolarHBondContact O-N 2.82Å; S116-F118 VanDerWaalsContact O-N 3.12Å; F118-G120 PolarHBondContact O-N 3.28Å; F118-A121 VanDerWaalsContact O-CB 3.26Å; F118-A121 WeakPolarHBondContact O-CB 3.41Å; F118-A121 PolarHBondContact O-N 2.71Å; F118-A121 VanDerWaalsContact O-N 3.1Å; F118-K123 HydrophobicContact CD2-CB 4.3Å; F118-K123 HydrophobicContact CD2-CD 3.7Å; F118-K123 HydrophobicContact CE2-CB 3.53Å; F118-K123 HydrophobicContact CE2-CD 3.66Å; F118-K123 HydrophobicContact CE2-CG 4.23Å; F118-K123 HydrophobicContact CZ-CB 4.07Å; F118-I125 HydrophobicContact CE1-CG2 4.03Å; F118-I125 HydrophobicContact CZ-CG2 3.58Å
119V97.8Very high95.7Very high37 Ų3765.9 Ų65.922%0.22437%0.372CS..THydrogen-bonded Turntrans-71.2125.4-179.1-176.90000110.3R102 Q105 E106 V109 S116 A121R102-V119 HydrophobicContact CG-CG1 3.88Å; Q105-V119 HydrophobicContact CB-CG2 4.24Å; E106-V119 HydrophobicContact CG-CB 4.36Å; E106-V119 HydrophobicContact CG-CG1 3.64Å; E106-V119 HydrophobicContact CG-CG2 3.71Å; V109-V119 HydrophobicContact CG2-CG2 3.85Å; S116-V119 PolarHBondContact O-N 3.25Å; V119-A121 VanDerWaalsContact C-N 3.28Å
120G96.7Very high95.6Very high58 Ų5863.9 Ų63.960%0.59836%0.36SS*.THydrogen-bonded Turntrans82.3-3.2-172.900000114.4F118F118-G120 PolarHBondContact O-N 3.28Å
121A96.5Very high95.3Very high21 Ų2159.3 Ų59.317%0.17434%0.34CS..  trans-77.8141.4177.600000111.5Q105 F118 V119 K123Q105-A121 PolarHBondContact NE2-O 3.37Å; F118-A121 VanDerWaalsContact O-CB 3.26Å; F118-A121 WeakPolarHBondContact O-CB 3.41Å; F118-A121 PolarHBondContact O-N 2.71Å; F118-A121 VanDerWaalsContact O-N 3.1Å; V119-A121 VanDerWaalsContact C-N 3.28Å; A121-K123 HydrophobicContact CB-CD 4.05Å; A121-K123 HydrophobicContact CB-CG 4.05Å; A121-K123 PolarHBondContact O-N 3.31Å
122K96.6Very high95.2Very high141 Ų14161 Ų6161%0.61334%0.341SS*.  trans-80.561.9171.9-63.5-165.9175.7-159.20111.2D70 W74D70-K122 PolarHBondContact O-NZ 2.68Å; W74-K122 HydrophobicContact CD2-CB 3.89Å; W74-K122 HydrophobicContact CD2-CG 4.39Å; W74-K122 HydrophobicContact CG-CB 4.08Å; W74-K122 HydrophobicContact CZ2-CB 4.26Å; W74-K122 HydrophobicContact CZ2-CD 4.39Å; W74-K122 HydrophobicContact CZ2-CG 3.85Å
123K95.9Very high95.2Very high110 Ų11058 Ų5848%0.47831%0.31SS..  trans-113.7134.5-177.7-73.6178172.8176.90110.6Y78 F118 A121Y78-K123 WeakPolarHBondContact CE2-O 3.03Å; Y78-K123 PolarHBondContact OH-O 2.99Å; F118-K123 HydrophobicContact CD2-CB 4.3Å; F118-K123 HydrophobicContact CD2-CD 3.7Å; F118-K123 HydrophobicContact CE2-CB 3.53Å; F118-K123 HydrophobicContact CE2-CD 3.66Å; F118-K123 HydrophobicContact CE2-CG 4.23Å; F118-K123 HydrophobicContact CZ-CB 4.07Å; A121-K123 HydrophobicContact CB-CD 4.05Å; A121-K123 HydrophobicContact CB-CG 4.05Å; A121-K123 PolarHBondContact O-N 3.31Å
124W94.3Very high95Very high128 Ų12855.2 Ų55.249%0.48530%0.295SS..  trans-68.3161.7172.165.2-93.3000111.3W74 V172W74-W124 WeakPolarHBondContact O-CA 3.34Å; W124-V172 HydrophobicContact CD2-CG1 4.4Å; W124-V172 HydrophobicContact CZ2-CG1 4.4Å
125I95Very high94.8Very high5 Ų554 Ų543%0.02630%0.296CS..  trans-137.3158.4176.258.7178.5000109A77 Y78 I104 L108 F118 E129 L130A77-I125 HydrophobicContact CB-CG1 3.76Å; A77-I125 WeakPolarHBondContact CB-O 3.47Å; Y78-I125 HydrophobicContact CD1-CD1 3.91Å; Y78-I125 HydrophobicContact CD2-CD1 4.08Å; Y78-I125 HydrophobicContact CD2-CG1 4.03Å; Y78-I125 HydrophobicContact CE1-CD1 3.79Å; Y78-I125 HydrophobicContact CE1-CG1 4.48Å; Y78-I125 HydrophobicContact CE2-CD1 3.98Å; Y78-I125 HydrophobicContact CE2-CG1 3.79Å; Y78-I125 HydrophobicContact CE2-CG2 4.37Å; Y78-I125 HydrophobicContact CG-CD1 4.07Å; Y78-I125 HydrophobicContact CG-CG1 4.5Å; I104-I125 HydrophobicContact CG2-CD1 3.86Å; L108-I125 HydrophobicContact CD1-CD1 4.45Å; L108-I125 HydrophobicContact CD1-CG2 3.93Å; F118-I125 HydrophobicContact CE1-CG2 4.03Å; F118-I125 HydrophobicContact CZ-CG2 3.58Å; I125-E129 HydrophobicContact CB-CB 3.84Å; I125-E129 HydrophobicContact CB-CG 4.13Å; I125-E129 HydrophobicContact CG2-CB 4.23Å; I125-E129 HydrophobicContact CG2-CG 4.22Å; I125-L130 HydrophobicContact CD1-CD1 3.58Å; I125-L130 HydrophobicContact CG1-CD1 3.75Å
126G92.4Very high94.5Very high16 Ų1649.4 Ų49.417%0.16527%0.274CS..  trans-109.9-173.8179.500000113.8L128 E129 L130G126-L128 PolarHBondContact O-N 3.45Å; G126-E129 WeakPolarHBondContact CA-OE2 3.35Å; G126-E129 PolarHBondContact N-OE2 3.07Å; G126-E129 PolarHBondContact O-N 3.41Å; G126-L130 WeakPolarHBondContact O-CD1 3.36Å; G126-L130 PolarHBondContact O-N 3.08Å; G126-L130 VanDerWaalsContact O-N 3.13Å
127S89.9Confident94.2Very high11 Ų1147.4 Ų47.48%0.07726%0.258CS..Hα-helixtrans-57.6-31.2177.2530000113.4N131 N228S127-N131 PolarHBondContact O-N 3.19Å; S127-N228 WeakPolarHBondContact OG-CB 3.46Å
128L90.2Very high93.8Very high88 Ų8844.9 Ų44.946%0.46124%0.238SC..Hα-helixtrans-67.6-50.4178.9-177.662000111.6G126 L130 N131 Y132G126-L128 PolarHBondContact O-N 3.45Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 2.92Å; L128-N131 VanDerWaalsContact O-CB 3.31Å; L128-N131 WeakPolarHBondContact O-CB 3.31Å; L128-N131 PolarHBondContact O-N 3.5Å; L128-N131 VanDerWaalsContact O-N 3.09Å; L128-Y132 HydrophobicContact CD1-CE1 3.92Å; L128-Y132 HydrophobicContact CD1-CE2 4.19Å; L128-Y132 HydrophobicContact CD2-CE2 4.21Å; L128-Y132 HydrophobicContact CG-CD2 4.45Å; L128-Y132 HydrophobicContact CG-CE1 4.39Å; L128-Y132 HydrophobicContact CG-CE2 3.76Å; L128-Y132 PolarHBondContact O-N 2.82Å
129E94.3Very high93.2Very high24 Ų2451.5 Ų51.511%0.11227%0.267CS..Hα-helixtrans-60.5-40.3174.6-69.9101.8142.100112L108 D113 K114 I125 G126 N131 Y132 V133L108-E129 HydrophobicContact CD1-CB 4.01Å; L108-E129 HydrophobicContact CD1-CG 4.23Å; L108-E129 HydrophobicContact CD2-CB 3.65Å; L108-E129 HydrophobicContact CD2-CG 3.93Å; L108-E129 HydrophobicContact CG-CB 4.49Å; D113-E129 WeakPolarHBondContact OD2-CG 3.45Å; K114-E129 IonicContact NZ-OE1 3.55Å; K114-E129 PolarHBondContact NZ-OE1 2.98Å; I125-E129 HydrophobicContact CB-CB 3.84Å; I125-E129 HydrophobicContact CB-CG 4.13Å; I125-E129 HydrophobicContact CG2-CB 4.23Å; I125-E129 HydrophobicContact CG2-CG 4.22Å; G126-E129 WeakPolarHBondContact CA-OE2 3.35Å; G126-E129 PolarHBondContact N-OE2 3.07Å; G126-E129 PolarHBondContact O-N 3.41Å; E129-N131 VanDerWaalsContact C-N 3.3Å; E129-N131 PolarHBondContact O-N 2.9Å; E129-Y132 PolarHBondContact O-N 3.4Å; E129-V133 WeakPolarHBondContact O-CG2 3.38Å; E129-V133 PolarHBondContact O-N 3.03Å
130L94.3Very high92.3Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-59.8-40.6173.6-90.569.1000111.9A77 L81 I125 G126 L128 V133 L134 M167 L230A77-L130 HydrophobicContact CB-CD1 3.88Å; L81-L130 HydrophobicContact CB-CD2 3.86Å; L81-L130 HydrophobicContact CB-CG 3.85Å; L81-L130 HydrophobicContact CD1-CB 4.43Å; L81-L130 HydrophobicContact CD1-CD2 4.38Å; L81-L130 HydrophobicContact CD1-CG 4.08Å; L81-L130 HydrophobicContact CD2-CG 4.17Å; L81-L130 HydrophobicContact CG-CG 4.24Å; I125-L130 HydrophobicContact CD1-CD1 3.58Å; I125-L130 HydrophobicContact CG1-CD1 3.75Å; G126-L130 WeakPolarHBondContact O-CD1 3.36Å; G126-L130 PolarHBondContact O-N 3.08Å; G126-L130 VanDerWaalsContact O-N 3.13Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 2.92Å; L130-V133 PolarHBondContact O-N 3.41Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 2.84Å; L130-M167 HydrophobicContact CD2-CB 4.08Å; L130-M167 HydrophobicContact CD2-CE 4.39Å; L130-M167 HydrophobicContact CD2-CG 3.69Å; L130-M167 HydrophobicContact CD2-SD 4.03Å; L130-L230 HydrophobicContact CB-CD2 3.45Å; L130-L230 VanDerWaalsContact CB-CD2 3.45Å; L130-L230 HydrophobicContact CD2-CD2 4.11Å; L130-L230 HydrophobicContact CG-CD2 4.42Å
131N92.3Very high90.7Very high38 Ų3853 Ų5320%0.20327%0.268CS..Hα-helixtrans-62.5-44.1175.6-16227000111.4S127 L128 E129 V133 L134 G135 L230S127-N131 PolarHBondContact O-N 3.19Å; L128-N131 VanDerWaalsContact O-CB 3.31Å; L128-N131 WeakPolarHBondContact O-CB 3.31Å; L128-N131 PolarHBondContact O-N 3.5Å; L128-N131 VanDerWaalsContact O-N 3.09Å; E129-N131 VanDerWaalsContact C-N 3.3Å; E129-N131 PolarHBondContact O-N 2.9Å; N131-V133 VanDerWaalsContact C-N 3.35Å; N131-V133 PolarHBondContact O-N 2.95Å; N131-L134 PolarHBondContact O-N 3.48Å; N131-G135 PolarHBondContact O-N 3.46Å; N131-L230 HydrophobicContact CB-CD1 3.83Å
132Y94Very high89.2Confident94 Ų9453.2 Ų53.237%0.36927%0.265SS..Hα-helixtrans-60.6-42.3176.2-63.6-29.7000112.3L108 D113 L128 E129 H136L108-Y132 HydrophobicContact CD2-CD2 4.48Å; D113-Y132 HydrophobicContact CB-CD2 3.93Å; D113-Y132 HydrophobicContact CB-CE2 4.09Å; D113-Y132 WeakPolarHBondContact OD1-CE2 3.33Å; L128-Y132 HydrophobicContact CD1-CE1 3.92Å; L128-Y132 HydrophobicContact CD1-CE2 4.19Å; L128-Y132 HydrophobicContact CD2-CE2 4.21Å; L128-Y132 HydrophobicContact CG-CD2 4.45Å; L128-Y132 HydrophobicContact CG-CE1 4.39Å; L128-Y132 HydrophobicContact CG-CE2 3.76Å; L128-Y132 PolarHBondContact O-N 2.82Å; E129-Y132 PolarHBondContact O-N 3.4Å; Y132-H136 WeakPolarHBondContact O-CB 3.36Å; Y132-H136 PolarHBondContact O-N 2.92Å
133V95.6Very high87.3Confident1 Ų154 Ų541%0.00627%0.271CS..Hα-helixtrans-69.1-42.7179.91770000111.7L81 W85 I104 A107 L108 E129 L130 N131 H136 V137L81-V133 HydrophobicContact CD2-CB 4.16Å; L81-V133 HydrophobicContact CD2-CG1 3.86Å; W85-V133 HydrophobicContact CZ3-CG1 4.12Å; I104-V133 HydrophobicContact CG2-CG2 4.19Å; A107-V133 HydrophobicContact CB-CG1 4.14Å; A107-V133 HydrophobicContact CB-CG2 4.11Å; L108-V133 HydrophobicContact CD1-CG2 4.36Å; L108-V133 HydrophobicContact CD2-CG2 3.67Å; L108-V133 HydrophobicContact CG-CG2 3.62Å; E129-V133 WeakPolarHBondContact O-CG2 3.38Å; E129-V133 PolarHBondContact O-N 3.03Å; L130-V133 PolarHBondContact O-N 3.41Å; N131-V133 VanDerWaalsContact C-N 3.35Å; N131-V133 PolarHBondContact O-N 2.95Å; V133-H136 PolarHBondContact O-N 2.95Å; V133-V137 PolarHBondContact O-N 3.35Å
134L93.5Very high85.5Confident0 Ų053.4 Ų53.40%028%0.281CS..Iπ-helixtrans-63.9-43.8174.2-70.5176.6000112.3L81 I84 W85 Y88 L130 N131 L138 K139 V140 K142 L230L81-L134 HydrophobicContact CD1-CD1 4.2Å; L81-L134 HydrophobicContact CD1-CD2 3.69Å; L81-L134 HydrophobicContact CD1-CG 3.72Å; I84-L134 HydrophobicContact CG2-CD1 4.08Å; I84-L134 HydrophobicContact CG2-CD2 4.36Å; W85-L134 HydrophobicContact CE3-CD2 4.07Å; W85-L134 HydrophobicContact CZ3-CD2 4.45Å; Y88-L134 HydrophobicContact CE2-CD2 3.92Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 2.84Å; N131-L134 PolarHBondContact O-N 3.48Å; L134-L138 HydrophobicContact CD2-CD1 3.97Å; L134-L138 CarbonylContact O-C 3.54Å; L134-L138 WeakPolarHBondContact O-CA 3.33Å; L134-L138 WeakPolarHBondContact O-CB 3.12Å; L134-L138 PolarHBondContact O-N 3.03Å; L134-K139 PolarHBondContact O-N 2.64Å; L134-V140 PolarHBondContact O-N 3.5Å; L134-K142 HydrophobicContact CD1-CD 4.42Å; L134-L230 HydrophobicContact CD1-CD2 4.02Å
135G92.4Very high83.6Confident24 Ų2447.6 Ų47.625%0.24726%0.261CS..Iπ-helixtrans-67.4-35.3177.500000113N131 K139N131-G135 PolarHBondContact O-N 3.46Å; G135-K139 WeakPolarHBondContact O-CA 3.43Å; G135-K139 WeakPolarHBondContact O-CD 3.1Å
136H91.7Very high81.7Confident55 Ų5551.1 Ų51.126%0.25529%0.286SS..Iπ-helixtrans-73.1-50.4177.9-178.353.1000112.6Q110 V111 Y132 V133 K139Q110-H136 PolarHBondContact OE1-NE2 3.16Å; V111-H136 HydrophobicContact CG1-CB 3.54Å; V111-H136 VanDerWaalsContact CG1-CG 3.49Å; Y132-H136 WeakPolarHBondContact O-CB 3.36Å; Y132-H136 PolarHBondContact O-N 2.92Å; V133-H136 PolarHBondContact O-N 2.95Å; H136-K139 VanDerWaalsContact O-CE 3.3Å; H136-K139 WeakPolarHBondContact O-CE 3.47Å; H136-K139 PolarHBondContact O-NZ 3.05Å
137V89.7Confident80.3Confident55 Ų5555.1 Ų55.133%0.33330%0.3SS..Iπ-helixtrans-92.8-46.3-170.4-171.70000112.4W85 V96 A107 V133W85-V137 HydrophobicContact CH2-CB 3.62Å; W85-V137 HydrophobicContact CH2-CG1 3.54Å; W85-V137 HydrophobicContact CH2-CG2 4.2Å; W85-V137 HydrophobicContact CZ2-CB 4.44Å; W85-V137 HydrophobicContact CZ2-CG1 3.91Å; W85-V137 HydrophobicContact CZ3-CB 4.39Å; V96-V137 HydrophobicContact CG1-CG1 4.26Å; A107-V137 HydrophobicContact CB-CG2 4.21Å; V133-V137 PolarHBondContact O-N 3.35Å
138L88.8Confident79.1Confident25 Ų2555 Ų5513%0.13130%0.299CS..Iπ-helixtrans-94.6-5.7-177.5-60.9-172.3000113.8W85 Y88 T94 V96 L134 V140W85-L138 HydrophobicContact CD2-CD1 3.78Å; W85-L138 HydrophobicContact CD2-CG 4.31Å; W85-L138 HydrophobicContact CE3-CD1 3.95Å; W85-L138 HydrophobicContact CE3-CG 4.31Å; W85-L138 HydrophobicContact CG-CD1 4.33Å; W85-L138 HydrophobicContact CH2-CD1 4.44Å; W85-L138 HydrophobicContact CH2-CD2 4.16Å; W85-L138 HydrophobicContact CH2-CG 3.95Å; W85-L138 HydrophobicContact CZ2-CD1 4.24Å; W85-L138 HydrophobicContact CZ2-CD2 3.63Å; W85-L138 HydrophobicContact CZ2-CG 3.87Å; W85-L138 HydrophobicContact CZ3-CD1 4.26Å; W85-L138 HydrophobicContact CZ3-CG 4.12Å; Y88-L138 HydrophobicContact CD2-CD1 3.66Å; Y88-L138 HydrophobicContact CE2-CD1 3.8Å; Y88-L138 HydrophobicContact CG-CD1 4.05Å; T94-L138 HydrophobicContact CG2-CD1 4.42Å; T94-L138 HydrophobicContact CG2-CD2 3.77Å; T94-L138 WeakPolarHBondContact OG1-CD2 3.47Å; V96-L138 HydrophobicContact CB-CD2 4.29Å; L134-L138 HydrophobicContact CD2-CD1 3.97Å; L134-L138 CarbonylContact O-C 3.54Å; L134-L138 WeakPolarHBondContact O-CA 3.33Å; L134-L138 WeakPolarHBondContact O-CB 3.12Å; L134-L138 PolarHBondContact O-N 3.03Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 HydrophobicContact CB-CG2 3.74Å; L138-V140 WeakPolarHBondContact O-CG2 3.24Å; L138-V140 PolarHBondContact O-N 3.42Å
139K85.4Confident77.6Confident151 Ų15155.9 Ų55.966%0.65730%0.304SS*.  trans58.337-178.9-52.4-49.8-170.6-169.40114.1L134 G135 H136L134-K139 PolarHBondContact O-N 2.64Å; G135-K139 WeakPolarHBondContact O-CA 3.43Å; G135-K139 WeakPolarHBondContact O-CD 3.1Å; H136-K139 VanDerWaalsContact O-CE 3.3Å; H136-K139 WeakPolarHBondContact O-CE 3.47Å; H136-K139 PolarHBondContact O-NZ 3.05Å
140V78.2Confident76.2Confident10 Ų1061.1 Ų61.16%0.06133%0.332CS..  trans-113.5114.9-177.4-151.60000111.5Y88 L134 L138 K142 G233 P235Y88-V140 HydrophobicContact CE1-CB 4.43Å; Y88-V140 HydrophobicContact CE1-CG1 4.24Å; Y88-V140 HydrophobicContact CE1-CG2 3.8Å; L134-V140 PolarHBondContact O-N 3.5Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 HydrophobicContact CB-CG2 3.74Å; L138-V140 WeakPolarHBondContact O-CG2 3.24Å; L138-V140 PolarHBondContact O-N 3.42Å; V140-K142 VanDerWaalsContact CG1-NZ 3.28Å; V140-G233 WeakPolarHBondContact CG1-O 3.25Å; V140-P235 HydrophobicContact CG1-CG 4.25Å; V140-P235 HydrophobicContact CG2-CG 4.18Å
141C63.8Low75.5Confident115 Ų11561.7 Ų61.778%0.77734%0.335SS*.  trans-93.6145.2-178.1-61.30000112.2
142K65Low75.4Confident27 Ų2760.2 Ų60.212%0.11733%0.328CS..  trans-147.8147.5-167-56.3-169.7-176.5-137.80112.4Y88 L134 V140 L230 L231 P232 G233Y88-K142 WeakPolarHBondContact OH-CE 3.06Å; Y88-K142 PolarHBondContact OH-NZ 3Å; L134-K142 HydrophobicContact CD1-CD 4.42Å; V140-K142 VanDerWaalsContact CG1-NZ 3.28Å; K142-L230 HydrophobicContact CB-CD1 3.98Å; K142-L230 HydrophobicContact CD-CD1 4.24Å; K142-L231 WeakPolarHBondContact CB-O 3.38Å; K142-L231 WeakPolarHBondContact CD-O 3.14Å; K142-L231 WeakPolarHBondContact CG-O 3.1Å; K142-P232 HydrophobicContact CD-CB 3.56Å; K142-P232 HydrophobicContact CD-CG 4.21Å; K142-P232 VanDerWaalsContact NZ-CB 3.29Å; K142-P232 PolarHBondContact NZ-O 3.11Å; K142-G233 PolarHBondContact NZ-O 2.99Å
143E58.1Low75.2Confident156 Ų15660.6 Ų60.673%0.72934%0.336SS*.  trans-81.7148.7170.9-60.3-173.816900110.1L231E143-L231 PolarHBondContact O-N 2.88Å
144S56Low75Confident98 Ų9863.2 Ų63.269%0.68535%0.349SS*.EExtended strand (participates in β ladder)trans-106104.4177.156.40000110L229S144-L229 WeakPolarHBondContact CA-O 3.42Å
145G55.2Low75Confident6 Ų663.2 Ų63.26%0.06235%0.349CS..EExtended strand (participates in β ladder)trans-80.1153-179.600000113.5L229 L231G145-L229 PolarHBondContact N-O 3.07Å; G145-L229 PolarHBondContact O-N 3.46Å; G145-L231 VanDerWaalsContact N-CD1 3.33Å
146S55.2Low75.1Confident80 Ų8062.6 Ų62.656%0.55934%0.339SS*.EExtended strand (participates in β ladder)trans-123.4125.4-169.557.80000114.2N151S146-N151 PolarHBondContact N-ND2 2.86Å; S146-N151 PolarHBondContact O-ND2 3.42Å; S146-N151 VanDerWaalsContact O-ND2 3.15Å; S146-N151 PolarHBondContact O-OD1 2.79Å
147E63.7Low75.1Confident99 Ų9963.8 Ų63.846%0.46335%0.353SS..  trans59.2114.3-179.9-68.3-164.8-17200116.9D149 L150 N151E147-D149 PolarHBondContact O-N 3.05Å; E147-L150 PolarHBondContact O-N 2.74Å; E147-L150 VanDerWaalsContact O-N 3.11Å; E147-N151 PolarHBondContact O-N 3.42Å; E147-N151 VanDerWaalsContact O-N 3.07Å; E147-N151 PolarHBondContact O-ND2 2.89Å; E147-N151 PolarHBondContact O-OD1 3.28Å
148I63.8Low75.3Confident9 Ų961.8 Ų61.85%0.04634%0.34CS..THydrogen-bonded Turntrans-60.2-42.6-165.9-50.5164.9000113.8L150 N151 A152 I168 Y191 W221 Y227I148-L150 VanDerWaalsContact C-N 3.27Å; I148-L150 PolarHBondContact O-N 3Å; I148-N151 CarbonylContact O-C 3.43Å; I148-N151 PolarHBondContact O-N 3.31Å; I148-A152 PolarHBondContact O-N 2.87Å; I148-I168 HydrophobicContact CD1-CD1 3.25Å; I148-I168 HydrophobicContact CG1-CD1 3.51Å; I148-Y191 HydrophobicContact CG2-CD1 4.31Å; I148-Y191 HydrophobicContact CG2-CE1 3.64Å; I148-Y191 HydrophobicContact CG2-CE2 3.89Å; I148-Y191 VanDerWaalsContact CG2-CZ 3.41Å; I148-Y191 PolarHBondContact O-OH 3.32Å; I148-W221 HydrophobicContact CD1-CB 3.57Å; I148-W221 VanDerWaalsContact CD1-CD1 3.41Å; I148-W221 HydrophobicContact CD1-CD2 3.42Å; I148-W221 VanDerWaalsContact CD1-CD2 3.42Å; I148-W221 HydrophobicContact CD1-CE3 4.06Å; I148-W221 HydrophobicContact CD1-CG 3.16Å; I148-Y227 HydrophobicContact CD1-CD1 4.05Å; I148-Y227 HydrophobicContact CD1-CD2 3.75Å; I148-Y227 HydrophobicContact CD1-CE1 4.45Å; I148-Y227 HydrophobicContact CD1-CE2 4.18Å; I148-Y227 HydrophobicContact CD1-CG 3.67Å; I148-Y227 HydrophobicContact CG1-CD2 4.34Å; I148-Y227 HydrophobicContact CG1-CG 4.11Å
149D59.8Low75.6Confident106 Ų10660.6 Ų60.657%0.56733%0.334SS*.THydrogen-bonded Turntrans-72.1-21-177-75.3-29.6000112.6E147 S218E147-D149 PolarHBondContact O-N 3.05Å; D149-S218 WeakPolarHBondContact OD1-CB 3.48Å; D149-S218 PolarHBondContact OD1-OG 2.73Å
150L63.6Low76Confident135 Ų13559 Ų5971%0.70733%0.327SS*.THydrogen-bonded Turntrans-83.3-26.9167.4-66.1174.5000111.8E147 I148 A152E147-L150 PolarHBondContact O-N 2.74Å; E147-L150 VanDerWaalsContact O-N 3.11Å; I148-L150 VanDerWaalsContact C-N 3.27Å; I148-L150 PolarHBondContact O-N 3Å; L150-A152 PolarHBondContact O-N 2.85Å
151N79.8Confident76.6Confident12 Ų1261 Ų616%0.06434%0.341CS..SBendtrans-86.96.9-177.3-62.8-13000114.5S146 E147 I148 D153 E154 L155 L229S146-N151 PolarHBondContact N-ND2 2.86Å; S146-N151 PolarHBondContact O-ND2 3.42Å; S146-N151 VanDerWaalsContact O-ND2 3.15Å; S146-N151 PolarHBondContact O-OD1 2.79Å; E147-N151 PolarHBondContact O-N 3.42Å; E147-N151 VanDerWaalsContact O-N 3.07Å; E147-N151 PolarHBondContact O-ND2 2.89Å; E147-N151 PolarHBondContact O-OD1 3.28Å; I148-N151 CarbonylContact O-C 3.43Å; I148-N151 PolarHBondContact O-N 3.31Å; N151-D153 PolarHBondContact O-N 3.34Å; N151-E154 HydrophobicContact CB-CB 4.22Å; N151-E154 WeakPolarHBondContact CB-OE2 3.47Å; N151-E154 PolarHBondContact ND2-OE2 3.23Å; N151-E154 PolarHBondContact O-N 2.87Å; N151-E154 PolarHBondContact OD1-OE2 3.36Å; N151-L155 WeakPolarHBondContact O-CB 3.48Å; N151-L155 VanDerWaalsContact O-CG 3.29Å; N151-L155 WeakPolarHBondContact O-CG 3.3Å; N151-L155 PolarHBondContact O-N 2.92Å; N151-L229 HydrophobicContact CB-CD1 3.73Å; N151-L229 VanDerWaalsContact ND2-CD1 3.28Å; N151-L229 WeakPolarHBondContact ND2-CD1 3.34Å
152A90.3Very high78Confident6 Ų656.7 Ų56.75%0.0531%0.31CS..Hα-helixtrans-59.5-44.9179.500000112.3I148 L150 L156 I182 V189I148-A152 PolarHBondContact O-N 2.87Å; L150-A152 PolarHBondContact O-N 2.85Å; A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 PolarHBondContact O-N 3.01Å; A152-I182 HydrophobicContact CB-CD1 3.95Å; A152-I182 HydrophobicContact CB-CG1 4.32Å; A152-V189 HydrophobicContact CB-CB 4.45Å; A152-V189 HydrophobicContact CB-CG1 3.8Å; A152-V189 HydrophobicContact CB-CG2 3.84Å
153D90.8Very high79.3Confident102 Ų10255.4 Ų55.455%0.54530%0.304SS..Hα-helixtrans-73.6-31.6175.2-76.9-61.7000112.7N151 L156 C157N151-D153 PolarHBondContact O-N 3.34Å; D153-L156 PolarHBondContact O-N 3.13Å; D153-C157 WeakPolarHBondContact O-CB 3.13Å; D153-C157 PolarHBondContact O-N 2.93Å
154E91.2Very high81.1Confident57 Ų5748 Ų4827%0.26627%0.27SS..Hα-helixtrans-62.3-49.2172.6-173.4-165-149.700110.6N151 L156 C157 H158 L231N151-E154 HydrophobicContact CB-CB 4.22Å; N151-E154 WeakPolarHBondContact CB-OE2 3.47Å; N151-E154 PolarHBondContact ND2-OE2 3.23Å; N151-E154 PolarHBondContact O-N 2.87Å; N151-E154 PolarHBondContact OD1-OE2 3.36Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.31Å; E154-C157 WeakPolarHBondContact O-CB 3.44Å; E154-C157 PolarHBondContact O-N 3.19Å; E154-H158 WeakPolarHBondContact O-CB 3.33Å; E154-H158 PolarHBondContact O-N 2.74Å; E154-L231 VanDerWaalsContact CD-CD2 3.47Å; E154-L231 HydrophobicContact CG-CD2 3.73Å
155L93.4Very high83.1Confident0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-59.8-41.8173.3-73.1169.5000111.4N151 C157 H158 F159 V166 I177 V180 Y191 L229N151-L155 WeakPolarHBondContact O-CB 3.48Å; N151-L155 VanDerWaalsContact O-CG 3.29Å; N151-L155 WeakPolarHBondContact O-CG 3.3Å; N151-L155 PolarHBondContact O-N 2.92Å; L155-C157 VanDerWaalsContact C-N 3.29Å; L155-C157 PolarHBondContact O-N 2.96Å; L155-H158 PolarHBondContact O-N 2.91Å; L155-F159 HydrophobicContact CB-CD2 4.3Å; L155-F159 HydrophobicContact CB-CE2 4.1Å; L155-F159 HydrophobicContact CD2-CE2 3.99Å; L155-F159 HydrophobicContact CD2-CZ 4.42Å; L155-F159 WeakPolarHBondContact O-CB 3.49Å; L155-F159 WeakPolarHBondContact O-CD2 3.37Å; L155-F159 PolarHBondContact O-N 3Å; L155-V166 HydrophobicContact CD2-CB 4.25Å; L155-V166 HydrophobicContact CD2-CG1 3.96Å; L155-V166 HydrophobicContact CD2-CG2 3.93Å; L155-I177 HydrophobicContact CD1-CD1 4.27Å; L155-V180 HydrophobicContact CB-CB 4.21Å; L155-V180 HydrophobicContact CB-CG1 4.02Å; L155-Y191 HydrophobicContact CD1-CD1 4Å; L155-Y191 HydrophobicContact CD1-CE1 3.78Å; L155-L229 HydrophobicContact CD1-CD1 4.36Å; L155-L229 HydrophobicContact CD2-CD1 4.08Å; L155-L229 HydrophobicContact CG-CD1 4.19Å
156L93.2Very high85Confident10 Ų1043.1 Ų43.15%0.05223%0.234CC..Hα-helixtrans-62.7-38.6177.3-171.978.8000111.3K51 A53 A152 D153 E154 K160 V180 I182K51-L156 HydrophobicContact CB-CD1 4.08Å; K51-L156 HydrophobicContact CB-CD2 3.91Å; K51-L156 HydrophobicContact CD-CD2 4.08Å; A53-L156 HydrophobicContact CB-CD1 3.72Å; A53-L156 HydrophobicContact CB-CG 4.42Å; A152-L156 WeakPolarHBondContact O-CB 3.5Å; A152-L156 PolarHBondContact O-N 3.01Å; D153-L156 PolarHBondContact O-N 3.13Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.31Å; L156-K160 WeakPolarHBondContact O-CD 3.18Å; L156-K160 VanDerWaalsContact O-CG 3.25Å; L156-K160 WeakPolarHBondContact O-CG 3.23Å; L156-K160 PolarHBondContact O-N 2.82Å; L156-V180 HydrophobicContact CB-CG1 3.87Å; L156-V180 HydrophobicContact CD1-CG1 3.98Å; L156-I182 HydrophobicContact CD2-CD1 4.37Å
157C93.2Very high86.9Confident81 Ų8139.3 Ų39.355%0.54721%0.208SC..Hα-helixtrans-66.2-54.6173.6-167.80000110.6D153 E154 L155 F159 K160 S161D153-C157 WeakPolarHBondContact O-CB 3.13Å; D153-C157 PolarHBondContact O-N 2.93Å; E154-C157 WeakPolarHBondContact O-CB 3.44Å; E154-C157 PolarHBondContact O-N 3.19Å; L155-C157 VanDerWaalsContact C-N 3.29Å; L155-C157 PolarHBondContact O-N 2.96Å; C157-F159 PolarHBondContact O-N 2.96Å; C157-K160 WeakPolarHBondContact O-CA 3.38Å; C157-K160 WeakPolarHBondContact O-CB 3.47Å; C157-K160 PolarHBondContact O-N 2.82Å; C157-S161 PolarHBondContact O-N 2.95Å; C157-S161 PolarHBondContact O-OG 2.91Å; C157-S161 VanDerWaalsContact O-OG 3.06Å
158H94Very high88.3Confident12 Ų1234.7 Ų34.76%0.05619%0.186CC..Hα-helixtrans-53.5-48.2-179.9173.470.5000113E154 L155 K160 S161 E162 G163 T164 V166 L231 P232E154-H158 WeakPolarHBondContact O-CB 3.33Å; E154-H158 PolarHBondContact O-N 2.74Å; L155-H158 PolarHBondContact O-N 2.91Å; H158-K160 PolarHBondContact O-N 2.69Å; H158-S161 PolarHBondContact O-N 3.31Å; H158-E162 WeakPolarHBondContact O-CA 3.01Å; H158-E162 PolarHBondContact O-N 3.44Å; H158-G163 PolarHBondContact O-N 3.07Å; H158-T164 PolarHBondContact NE2-O 2.77Å; H158-V166 WeakPolarHBondContact CD2-CG2 3.46Å; H158-V166 WeakPolarHBondContact NE2-CG2 3.32Å; H158-L231 HydrophobicContact CB-CD2 4.1Å; H158-P232 WeakPolarHBondContact CE1-CA 3.45Å
159F94.6Very high89.5Confident1 Ų134.8 Ų34.80%0.00419%0.19CC..Hα-helixtrans-68.9-19.5178.5-71.1-57.5000113.3A53 Q56 L155 C157 G163 T164 V166 I177 G179 V180A53-F159 HydrophobicContact CB-CB 3.53Å; Q56-F159 PolarHBondContact NE2-O 3.15Å; L155-F159 HydrophobicContact CB-CD2 4.3Å; L155-F159 HydrophobicContact CB-CE2 4.1Å; L155-F159 HydrophobicContact CD2-CE2 3.99Å; L155-F159 HydrophobicContact CD2-CZ 4.42Å; L155-F159 WeakPolarHBondContact O-CB 3.49Å; L155-F159 WeakPolarHBondContact O-CD2 3.37Å; L155-F159 PolarHBondContact O-N 3Å; C157-F159 PolarHBondContact O-N 2.96Å; F159-G163 WeakPolarHBondContact O-CA 3.04Å; F159-T164 WeakPolarHBondContact CE1-O 3.37Å; F159-V166 HydrophobicContact CE1-CG2 4.02Å; F159-V166 HydrophobicContact CZ-CB 4.3Å; F159-V166 HydrophobicContact CZ-CG2 3.79Å; F159-I177 HydrophobicContact CE2-CG2 4.06Å; F159-I177 HydrophobicContact CZ-CB 4.48Å; F159-I177 HydrophobicContact CZ-CG2 3.93Å; F159-I177 WeakPolarHBondContact CZ-O 3.46Å; F159-G179 VanDerWaalsContact CE2-CA 3.44Å; F159-V180 HydrophobicContact CD2-CG1 4.24Å
160K92.7Very high90.7Very high118 Ų11830.2 Ų30.251%0.51317%0.167SC..Hα-helixtrans-83.7-45.9173-73.4172.3-177.7175.60112.4A53 Q56 L156 C157 H158A53-K160 HydrophobicContact CB-CG 3.93Å; Q56-K160 PolarHBondContact NE2-O 3.24Å; L156-K160 WeakPolarHBondContact O-CD 3.18Å; L156-K160 VanDerWaalsContact O-CG 3.25Å; L156-K160 WeakPolarHBondContact O-CG 3.23Å; L156-K160 PolarHBondContact O-N 2.82Å; C157-K160 WeakPolarHBondContact O-CA 3.38Å; C157-K160 WeakPolarHBondContact O-CB 3.47Å; C157-K160 PolarHBondContact O-N 2.82Å; H158-K160 PolarHBondContact O-N 2.69Å
161S91.3Very high91.7Very high50 Ų5026.5 Ų26.535%0.3516%0.162SC..Hα-helixtrans-81.6-52-176.452.20000113.2C157 H158C157-S161 PolarHBondContact O-N 2.95Å; C157-S161 PolarHBondContact O-OG 2.91Å; C157-S161 VanDerWaalsContact O-OG 3.06Å; H158-S161 PolarHBondContact O-N 3.31Å
162E92.9Very high92Very high26 Ų2630.1 Ų30.112%0.12118%0.184CC..THydrogen-bonded Turntrans-101.2-36.8-172.4-51.6-51.8139.200111.5H158 T164 R234 R236H158-E162 WeakPolarHBondContact O-CA 3.01Å; H158-E162 PolarHBondContact O-N 3.44Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 WeakPolarHBondContact O-CG2 3.09Å; E162-T164 PolarHBondContact O-N 3.01Å; E162-R234 HydrophobicContact CB-CB 4.4Å; E162-R234 PolarHBondContact O-NE 3.46Å; E162-R234 PolarHBondContact O-NH2 2.93Å; E162-R234 VanDerWaalsContact OE2-CB 3.23Å; E162-R234 WeakPolarHBondContact OE2-CB 3.49Å; E162-R234 PolarHBondContact OE2-N 3.48Å; E162-R236 IonicContact OE1-CZ 2.8Å; E162-R236 IonicContact OE1-NH1 2.67Å; E162-R236 IonicContact OE1-NH2 2.71Å; E162-R236 PolarHBondContact OE1-NH2 3.25Å; E162-R236 IonicContact OE2-CZ 3.46Å; E162-R236 IonicContact OE2-NH1 3.47Å; E162-R236 PolarHBondContact OE2-NH1 2.86Å; E162-R236 IonicContact OE2-NH2 3.5Å; E162-R236 PolarHBondContact OE2-NH2 2.61Å
163G93.4Very high92.1Very high0 Ų034.2 Ų34.20%021%0.205CC..  trans63.928.1168.600000114.8V55 Q56 H158 F159V55-G163 CarbonylContact C-O 3.46Å; V55-G163 WeakPolarHBondContact CG2-O 3.43Å; Q56-G163 PolarHBondContact N-O 2.99Å; H158-G163 PolarHBondContact O-N 3.07Å; F159-G163 WeakPolarHBondContact O-CA 3.04Å
164T95.6Very high92.2Very high1 Ų129.5 Ų29.51%0.00618%0.18CC..  trans-102.9164.317885.10000110.7W87 H158 F159 E162 P232W87-T164 HydrophobicContact CD2-CG2 4.12Å; W87-T164 HydrophobicContact CE3-CG2 3.81Å; W87-T164 HydrophobicContact CH2-CG2 3.49Å; W87-T164 VanDerWaalsContact CH2-CG2 3.49Å; W87-T164 HydrophobicContact CZ2-CG2 3.78Å; W87-T164 HydrophobicContact CZ3-CG2 3.5Å; W87-T164 VanDerWaalsContact CZ3-CG2 3.5Å; H158-T164 PolarHBondContact NE2-O 2.77Å; F159-T164 WeakPolarHBondContact CE1-O 3.37Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 WeakPolarHBondContact O-CG2 3.09Å; E162-T164 PolarHBondContact O-N 3.01Å; T164-P232 WeakPolarHBondContact CG2-O 3.2Å; T164-P232 WeakPolarHBondContact OG1-CA 3.14Å; T164-P232 WeakPolarHBondContact OG1-CB 3.34Å; T164-P232 PolarHBondContact OG1-O 3.23Å
165P97Very high92.5Very high0 Ų027.8 Ų27.80%017%0.172CC..  trans-58.4147.7167.1-15.128.3000110.7V55 Y59 I84 W87 V176 L178 P232V55-P165 HydrophobicContact CG2-CG 3.95Å; Y59-P165 HydrophobicContact CG-CG 4.45Å; I84-P165 HydrophobicContact CG1-CB 4.05Å; W87-P165 HydrophobicContact CB-CG 4.07Å; W87-P165 HydrophobicContact CG-CG 4.18Å; P165-V176 HydrophobicContact CB-CG1 3.62Å; P165-L178 HydrophobicContact CB-CD2 4.08Å; P165-L178 HydrophobicContact CG-CD2 4.44Å; P165-P232 WeakPolarHBondContact O-CD 3.04Å; P165-P232 WeakPolarHBondContact O-CG 3.43Å
166V95.2Very high92.7Very high0 Ų027.9 Ų27.90%017%0.172CC..EExtended strand (participates in β ladder)trans-113.3134.1178.1172.10000109L155 H158 F159 V176 I177 L229 L230L155-V166 HydrophobicContact CD2-CB 4.25Å; L155-V166 HydrophobicContact CD2-CG1 3.96Å; L155-V166 HydrophobicContact CD2-CG2 3.93Å; H158-V166 WeakPolarHBondContact CD2-CG2 3.46Å; H158-V166 WeakPolarHBondContact NE2-CG2 3.32Å; F159-V166 HydrophobicContact CE1-CG2 4.02Å; F159-V166 HydrophobicContact CZ-CB 4.3Å; F159-V166 HydrophobicContact CZ-CG2 3.79Å; V166-V176 CarbonylContact O-C 3.49Å; V166-V176 WeakPolarHBondContact O-CA 3.45Å; V166-I177 HydrophobicContact CB-CB 4.32Å; V166-I177 PolarHBondContact N-O 3.45Å; V166-I177 PolarHBondContact O-N 2.95Å; V166-L229 HydrophobicContact CG1-CB 4.43Å; V166-L229 HydrophobicContact CG1-CD2 4.3Å; V166-L230 WeakPolarHBondContact CG1-O 3.4Å
167M94.6Very high92.8Very high1 Ų127.4 Ų27.41%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-91.9137.5170.6174.8-88.7-176.900109.4A77 I84 L130 A174 L230A77-M167 HydrophobicContact CB-CE 4.18Å; I84-M167 HydrophobicContact CD1-CB 3.53Å; L130-M167 HydrophobicContact CD2-CB 4.08Å; L130-M167 HydrophobicContact CD2-CE 4.39Å; L130-M167 HydrophobicContact CD2-CG 3.69Å; L130-M167 HydrophobicContact CD2-SD 4.03Å; M167-A174 HydrophobicContact CE-CB 3.55Å; M167-L230 HydrophobicContact CB-CB 4.39Å; M167-L230 PolarHBondContact N-O 3.42Å; M167-L230 PolarHBondContact O-N 3.1Å
168I93.1Very high93Very high1 Ų123.5 Ų23.51%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-117.9130.5170.7179.8168.2000109.9I148 A174 H175 I177 W221 Y227 L229I148-I168 HydrophobicContact CD1-CD1 3.25Å; I148-I168 HydrophobicContact CG1-CD1 3.51Å; I168-A174 CarbonylContact O-C 3.56Å; I168-A174 VanDerWaalsContact O-CA 3.24Å; I168-A174 WeakPolarHBondContact O-CA 3.46Å; I168-H175 HydrophobicContact CG2-CB 3.84Å; I168-H175 WeakPolarHBondContact CG2-O 3.41Å; I168-H175 PolarHBondContact N-O 3.06Å; I168-H175 PolarHBondContact O-N 3.47Å; I168-I177 HydrophobicContact CB-CD1 4.19Å; I168-I177 HydrophobicContact CB-CG1 4.46Å; I168-I177 HydrophobicContact CD1-CD1 4.23Å; I168-I177 HydrophobicContact CG2-CD1 4.03Å; I168-I177 HydrophobicContact CG2-CG1 3.88Å; I168-W221 HydrophobicContact CD1-CD2 4.33Å; I168-W221 HydrophobicContact CD1-CE3 4.11Å; I168-W221 HydrophobicContact CD1-CH2 4.07Å; I168-W221 HydrophobicContact CD1-CZ2 4.26Å; I168-W221 HydrophobicContact CD1-CZ3 3.99Å; I168-W221 HydrophobicContact CG2-CH2 3.65Å; I168-W221 HydrophobicContact CG2-CZ2 4.5Å; I168-W221 HydrophobicContact CG2-CZ3 3.94Å; I168-Y227 HydrophobicContact CD1-CD1 3.71Å; I168-Y227 HydrophobicContact CD1-CE1 4.45Å; I168-Y227 HydrophobicContact CD1-CG 4.13Å; I168-Y227 HydrophobicContact CG1-CD1 3.82Å; I168-Y227 HydrophobicContact CG1-CG 4.47Å; I168-L229 HydrophobicContact CB-CD2 3.66Å; I168-L229 HydrophobicContact CD1-CD2 3.79Å; I168-L229 HydrophobicContact CG1-CD2 3.71Å
169G89.6Confident93Very high12 Ų1223 Ų2312%0.12414%0.141CC..EExtended strand (participates in β ladder)trans-120.2133.5173.800000111.6L173 Y227 N228G169-L173 WeakPolarHBondContact CA-O 3.3Å; G169-Y227 WeakPolarHBondContact O-CA 3.37Å; G169-N228 PolarHBondContact N-O 2.85Å; G169-N228 PolarHBondContact O-N 2.82Å
170G86.1Confident93Very high9 Ų922.9 Ų22.99%0.09314%0.141CC..EExtended strand (participates in β ladder)trans-143.2114.117400000110.5V172 L173G170-V172 PolarHBondContact O-N 3.5Å; G170-L173 PolarHBondContact N-O 3.4Å; G170-L173 PolarHBondContact O-N 3.02Å; G170-L173 VanDerWaalsContact O-N 3.13Å
171G83.4Confident93Very high58 Ų5817.9 Ų17.960%0.59812%0.119SC*.THydrogen-bonded Turntrans58.7-124-169.700000111.6
172V86.3Confident93.1Very high87 Ų8716.5 Ų16.553%0.52711%0.107SC..THydrogen-bonded Turntrans-94.66.1178.1-59.50000113.8C76 W124 G170C76-V172 PolarHBondContact SG-O 3.06Å; W124-V172 HydrophobicContact CD2-CG1 4.4Å; W124-V172 HydrophobicContact CZ2-CG1 4.4Å; G170-V172 PolarHBondContact O-N 3.5Å
173L91.5Very high92.9Very high93 Ų9317 Ų1749%0.48711%0.111SC..EExtended strand (participates in β ladder)trans-107.3140.7-177.9-62.1178.9000110.9G169 G170G169-L173 WeakPolarHBondContact CA-O 3.3Å; G170-L173 PolarHBondContact N-O 3.4Å; G170-L173 PolarHBondContact O-N 3.02Å; G170-L173 VanDerWaalsContact O-N 3.13Å
174A94.8Very high92.6Very high2 Ų222.9 Ų22.92%0.01714%0.138CC..EExtended strand (participates in β ladder)trans-133.2143.3175.500000110.6C76 A77 M167 I168 P196 H197C76-A174 HydrophobicContact CB-CB 4.08Å; A77-A174 HydrophobicContact CB-CB 3.9Å; M167-A174 HydrophobicContact CE-CB 3.55Å; I168-A174 CarbonylContact O-C 3.56Å; I168-A174 VanDerWaalsContact O-CA 3.24Å; I168-A174 WeakPolarHBondContact O-CA 3.46Å; A174-P196 WeakPolarHBondContact O-CD 3.46Å; A174-P196 WeakPolarHBondContact O-CG 3.17Å; A174-H197 PolarHBondContact O-CE1 2.97Å
175H96.1Very high92.2Very high21 Ų2127.5 Ų27.510%0.09718%0.177CC..EExtended strand (participates in β ladder)trans-137.6170.1172.9-56.482.3000110.2I168 V193 D195 H197 F220 W221I168-H175 HydrophobicContact CG2-CB 3.84Å; I168-H175 WeakPolarHBondContact CG2-O 3.41Å; I168-H175 PolarHBondContact N-O 3.06Å; I168-H175 PolarHBondContact O-N 3.47Å; H175-V193 HydrophobicContact CB-CG1 3.87Å; H175-D195 IonicContact CD2-OD1 3.74Å; H175-D195 IonicContact NE2-OD1 3.95Å; H175-H197 AromaticContact NE2-CE1 3.86Å; H175-H197 AromaticContact NE2-ND1 3.89Å; H175-F220 AromaticContact NE2-CZ 3.85Å; H175-W221 HydrophobicContact CB-CH2 4.34Å; H175-W221 HydrophobicContact CB-CZ3 4.46Å; H175-W221 AromaticContact ND1-CZ3 3.88Å
176V97.1Very high91.8Very high2 Ų230.3 Ų30.31%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-110126.7170.1-179.30000109.2T83 P165 V166 L178 V193 L194T83-V176 HydrophobicContact CG2-CG1 4.22Å; T83-V176 HydrophobicContact CG2-CG2 4.19Å; P165-V176 HydrophobicContact CB-CG1 3.62Å; V166-V176 CarbonylContact O-C 3.49Å; V166-V176 WeakPolarHBondContact O-CA 3.45Å; V176-L178 HydrophobicContact CG1-CD2 3.82Å; V176-L178 HydrophobicContact CG1-CG 4.42Å; V176-V193 WeakPolarHBondContact O-CA 3.33Å; V176-L194 HydrophobicContact CB-CB 4.28Å; V176-L194 PolarHBondContact N-O 2.92Å; V176-L194 PolarHBondContact O-N 3.21Å
177I95.9Very high91.4Very high0 Ų034.8 Ų34.80%023%0.228CC..EExtended strand (participates in β ladder)trans-92.5124.6168.5-55.9177.5000107.5L155 F159 V166 I168 G179 Y191 L192 W221 L229L155-I177 HydrophobicContact CD1-CD1 4.27Å; F159-I177 HydrophobicContact CE2-CG2 4.06Å; F159-I177 HydrophobicContact CZ-CB 4.48Å; F159-I177 HydrophobicContact CZ-CG2 3.93Å; F159-I177 WeakPolarHBondContact CZ-O 3.46Å; V166-I177 HydrophobicContact CB-CB 4.32Å; V166-I177 PolarHBondContact N-O 3.45Å; V166-I177 PolarHBondContact O-N 2.95Å; I168-I177 HydrophobicContact CB-CD1 4.19Å; I168-I177 HydrophobicContact CB-CG1 4.46Å; I168-I177 HydrophobicContact CD1-CD1 4.23Å; I168-I177 HydrophobicContact CG2-CD1 4.03Å; I168-I177 HydrophobicContact CG2-CG1 3.88Å; I177-G179 WeakPolarHBondContact CG2-O 3.12Å; I177-Y191 HydrophobicContact CD1-CD1 4.42Å; I177-L192 WeakPolarHBondContact CA-O 3.45Å; I177-W221 HydrophobicContact CD1-CH2 4.43Å; I177-W221 HydrophobicContact CD1-CZ2 3.99Å; I177-W221 HydrophobicContact CG1-CH2 4.34Å; I177-W221 HydrophobicContact CG1-CZ2 4.19Å; I177-L229 HydrophobicContact CD1-CD2 4.3Å
178L97.3Very high91.1Very high0 Ų040.1 Ų40.10%026%0.256CS..EExtended strand (participates in β ladder)trans-104.7-6.6179.7-59.1173.6000112.7V54 V55 Y59 P165 V176 L192 L194V54-L178 CarbonylContact C-O 3.57Å; V54-L178 VanDerWaalsContact CA-O 3.29Å; V54-L178 WeakPolarHBondContact CA-O 3.39Å; V55-L178 HydrophobicContact CG1-CB 4.11Å; V55-L178 HydrophobicContact CG1-CD2 4.23Å; V55-L178 PolarHBondContact N-O 3.04Å; Y59-L178 HydrophobicContact CD2-CD2 4.37Å; Y59-L178 HydrophobicContact CE1-CD2 4.23Å; Y59-L178 HydrophobicContact CE2-CD1 4.13Å; Y59-L178 HydrophobicContact CE2-CD2 3.83Å; Y59-L178 VanDerWaalsContact OH-CD1 3.29Å; Y59-L178 WeakPolarHBondContact OH-CD1 3.24Å; P165-L178 HydrophobicContact CB-CD2 4.08Å; P165-L178 HydrophobicContact CG-CD2 4.44Å; V176-L178 HydrophobicContact CG1-CD2 3.82Å; V176-L178 HydrophobicContact CG1-CG 4.42Å; L178-L192 HydrophobicContact CB-CB 4.36Å; L178-L192 HydrophobicContact CB-CD2 3.88Å; L178-L192 HydrophobicContact CB-CG 3.94Å; L178-L192 HydrophobicContact CD1-CD2 4.49Å; L178-L192 HydrophobicContact CD1-CG 4.38Å; L178-L192 PolarHBondContact N-O 3.29Å; L178-L194 HydrophobicContact CD1-CB 3.68Å; L178-L194 HydrophobicContact CD1-CD2 4.19Å; L178-L194 HydrophobicContact CD1-CG 4.44Å; L178-L194 HydrophobicContact CD2-CD2 4.45Å; L178-L194 HydrophobicContact CG-CB 4.02Å
179G95.3Very high91.1Very high0 Ų041 Ų410%026%0.261CS..EExtended strand (participates in β ladder)trans176.1165.6-178.900000113.7A53 F159 I177 Y191 L192A53-G179 CarbonylContact O-C 3.58Å; A53-G179 WeakPolarHBondContact O-CA 3.17Å; F159-G179 VanDerWaalsContact CE2-CA 3.44Å; I177-G179 WeakPolarHBondContact CG2-O 3.12Å; G179-Y191 WeakPolarHBondContact O-CA 3.29Å; G179-L192 PolarHBondContact O-N 2.94Å
180V94.2Very high91.2Very high0 Ų045 Ų450%028%0.275CS..EExtended strand (participates in β ladder)trans-133.1144.9176.969.10000110.1T52 A53 L155 L156 F159 I182 V189 K190 Y191T52-V180 WeakPolarHBondContact CA-O 3.35Å; A53-V180 PolarHBondContact N-O 3.36Å; A53-V180 PolarHBondContact O-N 3.08Å; L155-V180 HydrophobicContact CB-CB 4.21Å; L155-V180 HydrophobicContact CB-CG1 4.02Å; L156-V180 HydrophobicContact CB-CG1 3.87Å; L156-V180 HydrophobicContact CD1-CG1 3.98Å; F159-V180 HydrophobicContact CD2-CG1 4.24Å; V180-I182 HydrophobicContact CG2-CG1 4.32Å; V180-V189 HydrophobicContact CG2-CG1 3.63Å; V180-K190 WeakPolarHBondContact CA-O 3.45Å; V180-Y191 HydrophobicContact CG2-CD1 4.08Å; V180-Y191 HydrophobicContact CG2-CE1 3.91Å
181F93Very high91.6Very high13 Ų1344.5 Ų44.56%0.05727%0.27CS..EExtended strand (participates in β ladder)trans-128.2128.6171.5168.7-99.4000108.6T48 K51 T52 D183 V189 K190 W215T48-F181 WeakPolarHBondContact OG1-CE2 3.32Å; K51-F181 WeakPolarHBondContact O-CA 3.35Å; T52-F181 WeakPolarHBondContact OG1-CD2 3.26Å; F181-D183 HydrophobicContact CE1-CB 3.86Å; F181-D183 HydrophobicContact CZ-CB 4.1Å; F181-V189 CarbonylContact O-C 3.58Å; F181-V189 WeakPolarHBondContact O-CA 3.32Å; F181-K190 HydrophobicContact CB-CB 4.39Å; F181-K190 HydrophobicContact CD1-CB 4.38Å; F181-K190 HydrophobicContact CD1-CD 4.18Å; F181-K190 HydrophobicContact CD1-CG 4.36Å; F181-K190 PolarHBondContact N-O 2.89Å; F181-K190 PolarHBondContact O-N 3.36Å; F181-W215 HydrophobicContact CB-CE3 4.32Å; F181-W215 HydrophobicContact CB-CH2 4.01Å; F181-W215 HydrophobicContact CB-CZ3 3.73Å
182I92.4Very high92.2Very high20 Ų2043.2 Ų43.210%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-119.5115.7176.1-52.9175.1000107.6G50 K51 A152 L156 V180 V189G50-I182 CarbonylContact C-O 3.5Å; G50-I182 WeakPolarHBondContact CA-O 3.25Å; K51-I182 PolarHBondContact N-O 2.81Å; K51-I182 PolarHBondContact O-N 3.36Å; A152-I182 HydrophobicContact CB-CD1 3.95Å; A152-I182 HydrophobicContact CB-CG1 4.32Å; L156-I182 HydrophobicContact CD2-CD1 4.37Å; V180-I182 HydrophobicContact CG2-CG1 4.32Å; I182-V189 HydrophobicContact CG1-CG1 4.31Å; I182-V189 HydrophobicContact CG1-CG2 4.39Å
183D89.7Confident92.6Very high38 Ų3839 Ų3920%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-72.1126.1175.4-172.6-94.4000110.7F181 A185 S186 S187 L188F181-D183 HydrophobicContact CE1-CB 3.86Å; F181-D183 HydrophobicContact CZ-CB 4.1Å; D183-A185 PolarHBondContact O-N 2.81Å; D183-A185 PolarHBondContact OD1-N 2.95Å; D183-S186 WeakPolarHBondContact CB-OG 3.22Å; D183-S186 WeakPolarHBondContact OD1-CB 3.38Å; D183-S186 PolarHBondContact OD1-N 2.81Å; D183-S186 PolarHBondContact OD1-OG 2.8Å; D183-S187 VanDerWaalsContact O-CA 3.25Å; D183-S187 WeakPolarHBondContact O-CA 3.41Å; D183-S187 PolarHBondContact O-N 3.43Å; D183-L188 HydrophobicContact CB-CB 4.3Å; D183-L188 PolarHBondContact N-O 3Å
184E87Confident92.9Very high122 Ų12234.9 Ų34.957%0.5720%0.202SC*.THydrogen-bonded Turntrans-74.9-24.6-173.2-78.9-178.5162.400113.7A49 K51A49-E184 PolarHBondContact O-N 2.82Å; K51-E184 WeakPolarHBondContact CE-OE1 3.34Å; K51-E184 HydrophobicContact CG-CG 4.33Å; K51-E184 WeakPolarHBondContact CG-OE1 3.37Å
185A87.3Confident93Very high99 Ų9935.7 Ų35.782%0.81821%0.207SC*.THydrogen-bonded Turntrans-87.3-36.4-17800000113D183D183-A185 PolarHBondContact O-N 2.81Å; D183-A185 PolarHBondContact OD1-N 2.95Å
186S88.4Confident93Very high59 Ų5934.8 Ų34.841%0.41320%0.203SC..THydrogen-bonded Turntrans-109.6-8.1-174.262.80000114.6D183 L188D183-S186 WeakPolarHBondContact CB-OG 3.22Å; D183-S186 WeakPolarHBondContact OD1-CB 3.38Å; D183-S186 PolarHBondContact OD1-N 2.81Å; D183-S186 PolarHBondContact OD1-OG 2.8Å; S186-L188 PolarHBondContact O-N 3.3Å; S186-L188 VanDerWaalsContact O-N 3.11Å; S186-L188 WeakPolarHBondContact OG-CB 3.44Å; S186-L188 WeakPolarHBondContact OG-CD1 3.41Å; S186-L188 WeakPolarHBondContact OG-CG 3.37Å; S186-L188 PolarHBondContact OG-N 2.97Å
187S85.5Confident93.1Very high94 Ų9436.3 Ų36.366%0.65721%0.209SC*.  trans5519.7-169.9-56.40000113.9D183 V189D183-S187 VanDerWaalsContact O-CA 3.25Å; D183-S187 WeakPolarHBondContact O-CA 3.41Å; D183-S187 PolarHBondContact O-N 3.43Å; S187-V189 PolarHBondContact O-N 2.72Å
188L90.2Very high93.1Very high112 Ų11236.6 Ų36.659%0.58621%0.211SC*.  trans-73126177-73175.1000110.4D183 S186D183-L188 HydrophobicContact CB-CB 4.3Å; D183-L188 PolarHBondContact N-O 3Å; S186-L188 PolarHBondContact O-N 3.3Å; S186-L188 VanDerWaalsContact O-N 3.11Å; S186-L188 WeakPolarHBondContact OG-CB 3.44Å; S186-L188 WeakPolarHBondContact OG-CD1 3.41Å; S186-L188 WeakPolarHBondContact OG-CG 3.37Å; S186-L188 PolarHBondContact OG-N 2.97Å
189V91.6Very high93.1Very high19 Ų1940.1 Ų40.112%0.11523%0.232CC..EExtended strand (participates in β ladder)trans-99.1140.9178-165.90000111.2A152 V180 F181 I182 S187 Y191 S218A152-V189 HydrophobicContact CB-CB 4.45Å; A152-V189 HydrophobicContact CB-CG1 3.8Å; A152-V189 HydrophobicContact CB-CG2 3.84Å; V180-V189 HydrophobicContact CG2-CG1 3.63Å; F181-V189 CarbonylContact O-C 3.58Å; F181-V189 WeakPolarHBondContact O-CA 3.32Å; I182-V189 HydrophobicContact CG1-CG1 4.31Å; I182-V189 HydrophobicContact CG1-CG2 4.39Å; S187-V189 PolarHBondContact O-N 2.72Å; V189-Y191 HydrophobicContact CB-CE2 4.33Å; V189-Y191 HydrophobicContact CG1-CE1 3.76Å; V189-Y191 HydrophobicContact CG1-CE2 3.9Å; V189-Y191 VanDerWaalsContact CG1-OH 3.28Å; V189-Y191 WeakPolarHBondContact CG1-OH 3.47Å; V189-S218 PolarHBondContact O-N 2.96Å
190K92.6Very high92.9Very high96 Ų9641.2 Ų41.242%0.41724%0.244SC..EExtended strand (participates in β ladder)trans-129.2146.2168.8-60176.4-174169.60110.2V180 F181 W215 K216V180-K190 WeakPolarHBondContact CA-O 3.45Å; F181-K190 HydrophobicContact CB-CB 4.39Å; F181-K190 HydrophobicContact CD1-CB 4.38Å; F181-K190 HydrophobicContact CD1-CD 4.18Å; F181-K190 HydrophobicContact CD1-CG 4.36Å; F181-K190 PolarHBondContact N-O 2.89Å; F181-K190 PolarHBondContact O-N 3.36Å; K190-W215 HydrophobicContact CB-CE3 3.93Å; K190-W215 WeakPolarHBondContact O-CZ3 3.43Å; K190-K216 CarbonylContact C-O 3.59Å; K190-K216 WeakPolarHBondContact CA-O 3.5Å; K190-K216 WeakPolarHBondContact CB-O 3.28Å
191Y93.5Very high92.8Very high0 Ų044.8 Ų44.80%027%0.267CS..EExtended strand (participates in β ladder)trans-117.4130-179.7-54.2-81000109.2I148 L155 I177 G179 V180 V189 V193 W215 K216 W221I148-Y191 HydrophobicContact CG2-CD1 4.31Å; I148-Y191 HydrophobicContact CG2-CE1 3.64Å; I148-Y191 HydrophobicContact CG2-CE2 3.89Å; I148-Y191 VanDerWaalsContact CG2-CZ 3.41Å; I148-Y191 PolarHBondContact O-OH 3.32Å; L155-Y191 HydrophobicContact CD1-CD1 4Å; L155-Y191 HydrophobicContact CD1-CE1 3.78Å; I177-Y191 HydrophobicContact CD1-CD1 4.42Å; G179-Y191 WeakPolarHBondContact O-CA 3.29Å; V180-Y191 HydrophobicContact CG2-CD1 4.08Å; V180-Y191 HydrophobicContact CG2-CE1 3.91Å; V189-Y191 HydrophobicContact CB-CE2 4.33Å; V189-Y191 HydrophobicContact CG1-CE1 3.76Å; V189-Y191 HydrophobicContact CG1-CE2 3.9Å; V189-Y191 VanDerWaalsContact CG1-OH 3.28Å; V189-Y191 WeakPolarHBondContact CG1-OH 3.47Å; Y191-V193 PolarHBondContact O-N 2.95Å; Y191-W215 CarbonylContact O-C 3.5Å; Y191-W215 WeakPolarHBondContact O-CA 3.03Å; Y191-K216 PolarHBondContact N-O 2.95Å; Y191-K216 PolarHBondContact O-N 2.79Å; Y191-W221 AromaticContact CD2-NE1 3.21Å; Y191-W221 AromaticContact CE2-NE1 3.54Å; Y191-W221 HydrophobicContact CG-CZ2 4.43Å; Y191-W221 AromaticContact CG-NE1 3.78Å
192L95.7Very high92.7Very high30 Ų3049.9 Ų49.916%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-80.4105170.6-179.960.1000107.3I177 L178 G179 W215I177-L192 WeakPolarHBondContact CA-O 3.45Å; L178-L192 HydrophobicContact CB-CB 4.36Å; L178-L192 HydrophobicContact CB-CD2 3.88Å; L178-L192 HydrophobicContact CB-CG 3.94Å; L178-L192 HydrophobicContact CD1-CD2 4.49Å; L178-L192 HydrophobicContact CD1-CG 4.38Å; L178-L192 PolarHBondContact N-O 3.29Å; G179-L192 PolarHBondContact O-N 2.94Å; L192-W215 HydrophobicContact CB-CD2 3.93Å; L192-W215 HydrophobicContact CB-CE3 3.85Å; L192-W215 HydrophobicContact CB-CH2 3.89Å; L192-W215 HydrophobicContact CB-CZ2 3.97Å; L192-W215 HydrophobicContact CB-CZ3 3.82Å; L192-W215 HydrophobicContact CD1-CD2 4.27Å; L192-W215 HydrophobicContact CD1-CG 4.26Å; L192-W215 HydrophobicContact CD2-CZ2 4.31Å; L192-W215 VanDerWaalsContact N-CE3 3.33Å
193V95.4Very high92.5Very high0 Ų054.1 Ų54.10%031%0.31CS..EExtended strand (participates in β ladder)trans-104.4135-174.6-178.70000110H175 V176 Y191 C213 G214 K216 F220 W221H175-V193 HydrophobicContact CB-CG1 3.87Å; V176-V193 WeakPolarHBondContact O-CA 3.33Å; Y191-V193 PolarHBondContact O-N 2.95Å; V193-C213 WeakPolarHBondContact O-CA 3.15Å; V193-G214 PolarHBondContact N-O 3.29Å; V193-G214 PolarHBondContact O-N 2.84Å; V193-K216 HydrophobicContact CB-CG 3.81Å; V193-K216 HydrophobicContact CG2-CB 4.16Å; V193-K216 HydrophobicContact CG2-CG 3.65Å; V193-F220 HydrophobicContact CG1-CE1 4.06Å; V193-F220 HydrophobicContact CG1-CZ 4.44Å; V193-F220 HydrophobicContact CG2-CD1 4.33Å; V193-F220 HydrophobicContact CG2-CE1 4.19Å; V193-W221 HydrophobicContact CG1-CH2 4.39Å; V193-W221 HydrophobicContact CG2-CH2 3.83Å; V193-W221 HydrophobicContact CG2-CZ2 3.72Å
194L97.4Very high92.2Very high5 Ų555.5 Ų55.53%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-110.8122.9165.9-175.967.1000108.6Y59 Y61 T83 V176 L178 C213Y59-L194 HydrophobicContact CE2-CD2 4.01Å; Y61-L194 HydrophobicContact CD1-CD1 4.18Å; Y61-L194 HydrophobicContact CD2-CD1 3.53Å; Y61-L194 HydrophobicContact CD2-CD2 3.56Å; Y61-L194 HydrophobicContact CD2-CG 3.55Å; Y61-L194 HydrophobicContact CE1-CD1 4.16Å; Y61-L194 HydrophobicContact CE2-CD1 3.49Å; Y61-L194 VanDerWaalsContact CE2-CD1 3.49Å; Y61-L194 HydrophobicContact CE2-CD2 4.15Å; Y61-L194 HydrophobicContact CE2-CG 3.6Å; Y61-L194 HydrophobicContact CG-CD1 3.85Å; Y61-L194 HydrophobicContact CG-CD2 4.12Å; Y61-L194 HydrophobicContact CG-CG 4.29Å; T83-L194 HydrophobicContact CG2-CD2 3.93Å; V176-L194 HydrophobicContact CB-CB 4.28Å; V176-L194 PolarHBondContact N-O 2.92Å; V176-L194 PolarHBondContact O-N 3.21Å; L178-L194 HydrophobicContact CD1-CB 3.68Å; L178-L194 HydrophobicContact CD1-CD2 4.19Å; L178-L194 HydrophobicContact CD1-CG 4.44Å; L178-L194 HydrophobicContact CD2-CD2 4.45Å; L178-L194 HydrophobicContact CG-CB 4.02Å; L194-C213 HydrophobicContact CD1-CB 3.65Å
195D96.9Very high92.1Very high20 Ų2056.8 Ų56.811%0.10733%0.33CS..  trans-102.9109.3-166.1-173.5-16.8000110.8Y61 H175 H197 W212Y61-D195 PolarHBondContact OH-O 3.02Å; H175-D195 IonicContact CD2-OD1 3.74Å; H175-D195 IonicContact NE2-OD1 3.95Å; D195-H197 PolarHBondContact O-N 3.15Å; D195-H197 VanDerWaalsContact O-N 3.16Å; D195-H197 VanDerWaalsContact OD1-CB 3.3Å; D195-H197 WeakPolarHBondContact OD1-CB 3.31Å; D195-H197 IonicContact OD1-CE1 3.85Å; D195-H197 IonicContact OD1-CG 3.35Å; D195-H197 PolarHBondContact OD1-N 3.07Å; D195-H197 IonicContact OD1-ND1 2.69Å; D195-H197 PolarHBondContact OD1-ND1 3.4Å; D195-W212 HydrophobicContact CB-CE3 3.98Å; D195-W212 WeakPolarHBondContact CB-O 3.4Å; D195-W212 PolarHBondContact N-O 3.24Å
196P97.6Very high92.2Very high2 Ų252.8 Ų52.81%0.01330%0.296CS..THydrogen-bonded Turntrans-69.6-8.5-178.130.4-37.1000113.5H63 Y64 C76 R79 A174 Y198H63-P196 WeakPolarHBondContact CA-O 3.29Å; H63-P196 WeakPolarHBondContact CB-O 3.43Å; Y64-P196 PolarHBondContact N-O 2.93Å; C76-P196 HydrophobicContact CB-CG 3.97Å; R79-P196 HydrophobicContact CB-CB 3.68Å; A174-P196 WeakPolarHBondContact O-CD 3.46Å; A174-P196 WeakPolarHBondContact O-CG 3.17Å; P196-Y198 PolarHBondContact O-N 3.32Å
197H97.6Very high92.2Very high33 Ų3350.6 Ų50.615%0.15328%0.28CS..THydrogen-bonded Turntrans-79.6-1.2-177-51.589.9000113.6Y64 C76 A174 H175 D195 W212Y64-H197 VanDerWaalsContact CD2-CA 3.49Å; Y64-H197 HydrophobicContact CD2-CB 4.17Å; Y64-H197 WeakPolarHBondContact CD2-O 3.39Å; Y64-H197 HydrophobicContact CE2-CB 3.84Å; Y64-H197 AromaticContact CE2-CD2 3.62Å; Y64-H197 AromaticContact CZ-CD2 3.75Å; Y64-H197 PolarHBondContact OH-CD2 3.06Å; C76-H197 VanDerWaalsContact CB-NE2 3.34Å; C76-H197 WeakPolarHBondContact CB-NE2 3.48Å; A174-H197 PolarHBondContact O-CE1 2.97Å; H175-H197 AromaticContact NE2-CE1 3.86Å; H175-H197 AromaticContact NE2-ND1 3.89Å; D195-H197 PolarHBondContact O-N 3.15Å; D195-H197 VanDerWaalsContact O-N 3.16Å; D195-H197 VanDerWaalsContact OD1-CB 3.3Å; D195-H197 WeakPolarHBondContact OD1-CB 3.31Å; D195-H197 IonicContact OD1-CE1 3.85Å; D195-H197 IonicContact OD1-CG 3.35Å; D195-H197 PolarHBondContact OD1-N 3.07Å; D195-H197 IonicContact OD1-ND1 2.69Å; D195-H197 PolarHBondContact OD1-ND1 3.4Å; H197-W212 HydrophobicContact CB-CZ3 4.1Å
198Y96.3Very high92.3Very high7 Ų751.3 Ų51.33%0.02728%0.275CS..  trans-61.3137.5174.1-175.1-120.3000111.8Y61 H63 Y64 P196 P201 S206 I207 W212Y61-Y198 HydrophobicContact CE1-CD1 4.21Å; Y61-Y198 WeakPolarHBondContact OH-CB 3.49Å; H63-Y198 WeakPolarHBondContact CB-O 3.29Å; H63-Y198 AromaticContact CD2-CD1 3.89Å; H63-Y198 PolarHBondContact CE1-O 2.91Å; H63-Y198 AromaticContact CG-CD1 3.95Å; H63-Y198 AromaticContact ND1-CD1 3.79Å; H63-Y198 PolarHBondContact ND1-O 3.11Å; H63-Y198 AromaticContact NE2-CD1 3.95Å; Y64-Y198 WeakPolarHBondContact CB-O 3.14Å; Y64-Y198 PolarHBondContact N-O 2.97Å; Y64-Y198 VanDerWaalsContact N-O 3.11Å; P196-Y198 PolarHBondContact O-N 3.32Å; Y198-P201 WeakPolarHBondContact CE1-O 3.43Å; Y198-P201 PolarHBondContact OH-O 3.11Å; Y198-S206 PolarHBondContact OH-OG 3.27Å; Y198-I207 HydrophobicContact CD1-CD1 4.49Å; Y198-I207 HydrophobicContact CD1-CG1 4.04Å; Y198-I207 HydrophobicContact CE1-CD1 4Å; Y198-I207 HydrophobicContact CE1-CG1 3.53Å; Y198-I207 HydrophobicContact CE2-CG1 4.42Å; Y198-W212 HydrophobicContact CD2-CB 4.43Å; Y198-W212 AromaticContact CD2-CD1 3.49Å; Y198-W212 VanDerWaalsContact CD2-CD1 3.49Å; Y198-W212 AromaticContact CD2-CD2 3.6Å; Y198-W212 HydrophobicContact CD2-CD2 3.6Å; Y198-W212 AromaticContact CD2-CE2 3.53Å; Y198-W212 HydrophobicContact CD2-CE3 4.31Å; Y198-W212 AromaticContact CD2-CG 3.61Å; Y198-W212 HydrophobicContact CD2-CG 3.61Å; Y198-W212 HydrophobicContact CD2-CZ2 4.19Å; Y198-W212 AromaticContact CD2-NE1 3.46Å; Y198-W212 AromaticContact CE2-CD1 3.73Å; Y198-W212 HydrophobicContact CE2-CG 4.27Å; Y198-W212 AromaticContact CE2-NE1 3.71Å; Y198-W212 HydrophobicContact CG-CD2 4.16Å; Y198-W212 HydrophobicContact CG-CG 4.13Å
199T96.4Very high92.2Very high74 Ų7452.9 Ų52.945%0.45428%0.28SS..  trans-126.415.4-179.168.30000112.5Y64 M65 R72Y64-T199 HydrophobicContact CD2-CG2 4.13Å; M65-T199 HydrophobicContact CG-CG2 4.1Å; R72-T199 HydrophobicContact CG-CG2 3.99Å
200G92.9Very high92.3Very high23 Ų2358.8 Ų58.824%0.23730%0.304CS..SBendtrans-93.5-175.6-173.900000113.4H63H63-G200 PolarHBondContact NE2-O 3.19Å
201P91.7Very high92.1Very high75 Ų7555.1 Ų55.149%0.48729%0.293SS..  trans-70.7161.4173.132.7-36.6000111.6Y198 E203Y198-P201 WeakPolarHBondContact CE1-O 3.43Å; Y198-P201 PolarHBondContact OH-O 3.11Å; P201-E203 HydrophobicContact CB-CG 4.28Å; P201-E203 HydrophobicContact CG-CG 4.02Å; P201-E203 PolarHBondContact O-N 2.88Å
202E90.2Very high92.2Very high119 Ų11958.4 Ų58.456%0.55631%0.306SS*.SBendtrans-71.959.4-179.9-56.4-62.9171.300112.8H63 Q66H63-E202 IonicContact NE2-OE1 3.79Å; Q66-E202 PolarHBondContact NE2-OE1 2.86Å
203E88.4Confident92.1Very high110 Ų11058.3 Ų58.351%0.51431%0.307SS..  trans-112.999.4-176.9-71.5-177.7-178.900110.9P201 K205 S206 I207P201-E203 HydrophobicContact CB-CG 4.28Å; P201-E203 HydrophobicContact CG-CG 4.02Å; P201-E203 PolarHBondContact O-N 2.88Å; E203-K205 PolarHBondContact O-N 3.44Å; E203-S206 WeakPolarHBondContact O-CA 3.49Å; E203-S206 WeakPolarHBondContact O-CB 3.43Å; E203-S206 PolarHBondContact O-N 3.32Å; E203-I207 WeakPolarHBondContact O-CG1 3.28Å; E203-I207 PolarHBondContact O-N 2.82Å
204A84.2Confident91.9Very high67 Ų6759.2 Ų59.255%0.55432%0.317SS*.Hα-helixtrans-49.5-38.9-178.900000113.8I207 I208A204-I207 PolarHBondContact O-N 3.28Å; A204-I208 WeakPolarHBondContact O-CB 3.37Å; A204-I208 VanDerWaalsContact O-CG1 3.26Å; A204-I208 WeakPolarHBondContact O-CG1 3.42Å; A204-I208 PolarHBondContact O-N 3.03Å
205K85.1Confident91.8Very high148 Ų14864.4 Ų64.464%0.64334%0.336SS*.Hα-helixtrans-62.2-43.6175.8-174.7-178.8177.8-176.20112.3E203 Q209E203-K205 PolarHBondContact O-N 3.44Å; K205-Q209 HydrophobicContact CG-CG 4.24Å; K205-Q209 VanDerWaalsContact O-CB 3.22Å; K205-Q209 WeakPolarHBondContact O-CB 3.38Å; K205-Q209 VanDerWaalsContact O-CG 3.25Å; K205-Q209 WeakPolarHBondContact O-CG 3.42Å; K205-Q209 PolarHBondContact O-N 3Å
206S87.6Confident91.5Very high15 Ų1565.3 Ų65.311%0.10534%0.339CS..Hα-helixtrans-66.6-42.6178.9-162.30000111Y198 E203 K210Y198-S206 PolarHBondContact OH-OG 3.27Å; E203-S206 WeakPolarHBondContact O-CA 3.49Å; E203-S206 WeakPolarHBondContact O-CB 3.43Å; E203-S206 PolarHBondContact O-N 3.32Å; S206-K210 WeakPolarHBondContact O-CB 3.35Å; S206-K210 WeakPolarHBondContact O-CG 3.43Å; S206-K210 PolarHBondContact O-N 2.87Å; S206-K210 PolarHBondContact OG-NZ 3.09Å
207I88.8Confident91.3Very high13 Ų1368.4 Ų68.47%0.06736%0.359CS..Hα-helixtrans-61.1-51.4177.3-67.2162.5000110.7Y61 Y198 E203 A204 G211 W212 C213Y61-I207 HydrophobicContact CD1-CD1 3.99Å; Y61-I207 HydrophobicContact CD1-CG2 4.4Å; Y61-I207 HydrophobicContact CE1-CD1 3.82Å; Y61-I207 HydrophobicContact CE1-CG1 4.1Å; Y61-I207 HydrophobicContact CE1-CG2 3.77Å; Y198-I207 HydrophobicContact CD1-CD1 4.49Å; Y198-I207 HydrophobicContact CD1-CG1 4.04Å; Y198-I207 HydrophobicContact CE1-CD1 4Å; Y198-I207 HydrophobicContact CE1-CG1 3.53Å; Y198-I207 HydrophobicContact CE2-CG1 4.42Å; E203-I207 WeakPolarHBondContact O-CG1 3.28Å; E203-I207 PolarHBondContact O-N 2.82Å; A204-I207 PolarHBondContact O-N 3.28Å; I207-G211 PolarHBondContact O-N 3.43Å; I207-W212 HydrophobicContact CG2-CB 4.04Å; I207-W212 PolarHBondContact O-N 3.26Å; I207-C213 HydrophobicContact CG2-CB 3.97Å
208I87.6Confident90.8Very high109 Ų10968.1 Ų68.156%0.55936%0.361SS*.Hα-helixtrans-70.6-49.4-177.9-64.9165.8000111.4A204 K210 G211A204-I208 WeakPolarHBondContact O-CB 3.37Å; A204-I208 VanDerWaalsContact O-CG1 3.26Å; A204-I208 WeakPolarHBondContact O-CG1 3.42Å; A204-I208 PolarHBondContact O-N 3.03Å; I208-K210 VanDerWaalsContact C-N 3.29Å; I208-K210 PolarHBondContact O-N 2.88Å; I208-G211 WeakPolarHBondContact O-CA 3.25Å; I208-G211 PolarHBondContact O-N 2.87Å
209Q88.7Confident90.5Very high146 Ų14673.4 Ų73.468%0.68239%0.394SS*.Hα-helixtrans-65.7-29.7-175.1-72-173.2-3400113.4K205 G211K205-Q209 HydrophobicContact CG-CG 4.24Å; K205-Q209 VanDerWaalsContact O-CB 3.22Å; K205-Q209 WeakPolarHBondContact O-CB 3.38Å; K205-Q209 VanDerWaalsContact O-CG 3.25Å; K205-Q209 WeakPolarHBondContact O-CG 3.42Å; K205-Q209 PolarHBondContact O-N 3Å; Q209-G211 VanDerWaalsContact C-N 3.32Å
210K92.4Very high90.3Very high143 Ų14373.2 Ų73.262%0.62239%0.387SS*.THydrogen-bonded Turntrans-87.7-1.2173.9-64170.4-177.9162.70112.9S206 I208S206-K210 WeakPolarHBondContact O-CB 3.35Å; S206-K210 WeakPolarHBondContact O-CG 3.43Å; S206-K210 PolarHBondContact O-N 2.87Å; S206-K210 PolarHBondContact OG-NZ 3.09Å; I208-K210 VanDerWaalsContact C-N 3.29Å; I208-K210 PolarHBondContact O-N 2.88Å
211G90.5Very high90.1Very high19 Ų1973 Ų7320%0.19638%0.379CS..THydrogen-bonded Turntrans7622.9174.400000115.3I207 I208 Q209 C213 K216I207-G211 PolarHBondContact O-N 3.43Å; I208-G211 WeakPolarHBondContact O-CA 3.25Å; I208-G211 PolarHBondContact O-N 2.87Å; Q209-G211 VanDerWaalsContact C-N 3.32Å; G211-C213 VanDerWaalsContact C-N 3.28Å; G211-K216 WeakPolarHBondContact O-CE 3.49Å; G211-K216 PolarHBondContact O-NZ 3.08Å
212W94.1Very high89.7Confident68 Ų6872.2 Ų72.226%0.25838%0.379SS..SBendtrans-72.7-24.6172.1-58.598.8000112D195 H197 Y198 I207D195-W212 HydrophobicContact CB-CE3 3.98Å; D195-W212 WeakPolarHBondContact CB-O 3.4Å; D195-W212 PolarHBondContact N-O 3.24Å; H197-W212 HydrophobicContact CB-CZ3 4.1Å; Y198-W212 HydrophobicContact CD2-CB 4.43Å; Y198-W212 AromaticContact CD2-CD1 3.49Å; Y198-W212 VanDerWaalsContact CD2-CD1 3.49Å; Y198-W212 AromaticContact CD2-CD2 3.6Å; Y198-W212 HydrophobicContact CD2-CD2 3.6Å; Y198-W212 AromaticContact CD2-CE2 3.53Å; Y198-W212 HydrophobicContact CD2-CE3 4.31Å; Y198-W212 AromaticContact CD2-CG 3.61Å; Y198-W212 HydrophobicContact CD2-CG 3.61Å; Y198-W212 HydrophobicContact CD2-CZ2 4.19Å; Y198-W212 AromaticContact CD2-NE1 3.46Å; Y198-W212 AromaticContact CE2-CD1 3.73Å; Y198-W212 HydrophobicContact CE2-CG 4.27Å; Y198-W212 AromaticContact CE2-NE1 3.71Å; Y198-W212 HydrophobicContact CG-CD2 4.16Å; Y198-W212 HydrophobicContact CG-CG 4.13Å; I207-W212 HydrophobicContact CG2-CB 4.04Å; I207-W212 PolarHBondContact O-N 3.26Å
213C94.5Very high89.1Confident28 Ų2876.4 Ų76.419%0.18940%0.396CS..EExtended strand (participates in β ladder)trans-124.9124.9160.6-173.90000108.6V193 L194 I207 G211V193-C213 WeakPolarHBondContact O-CA 3.15Å; L194-C213 HydrophobicContact CD1-CB 3.65Å; I207-C213 HydrophobicContact CG2-CB 3.97Å; G211-C213 VanDerWaalsContact C-N 3.28Å
214G91.7Very high88.3Confident20 Ų2074.7 Ų74.721%0.20641%0.407CS..EExtended strand (participates in β ladder)trans166.6169.8176.500000115.4V193V193-G214 PolarHBondContact N-O 3.29Å; V193-G214 PolarHBondContact O-N 2.84Å
215W93.7Very high87.7Confident114 Ų11474.2 Ų74.243%0.43240%0.398SS..EExtended strand (participates in β ladder)trans-71.6129.1178.6-69.5100.7000111.8T52 V54 F181 K190 Y191 L192T52-W215 HydrophobicContact CG2-CH2 4.12Å; T52-W215 HydrophobicContact CG2-CZ2 4.36Å; V54-W215 HydrophobicContact CG1-CH2 4.39Å; V54-W215 HydrophobicContact CG1-CZ2 4.36Å; F181-W215 HydrophobicContact CB-CE3 4.32Å; F181-W215 HydrophobicContact CB-CH2 4.01Å; F181-W215 HydrophobicContact CB-CZ3 3.73Å; K190-W215 HydrophobicContact CB-CE3 3.93Å; K190-W215 WeakPolarHBondContact O-CZ3 3.43Å; Y191-W215 CarbonylContact O-C 3.5Å; Y191-W215 WeakPolarHBondContact O-CA 3.03Å; L192-W215 HydrophobicContact CB-CD2 3.93Å; L192-W215 HydrophobicContact CB-CE3 3.85Å; L192-W215 HydrophobicContact CB-CH2 3.89Å; L192-W215 HydrophobicContact CB-CZ2 3.97Å; L192-W215 HydrophobicContact CB-CZ3 3.82Å; L192-W215 HydrophobicContact CD1-CD2 4.27Å; L192-W215 HydrophobicContact CD1-CG 4.26Å; L192-W215 HydrophobicContact CD2-CZ2 4.31Å; L192-W215 VanDerWaalsContact N-CE3 3.33Å
216K92.2Very high87.5Confident39 Ų3974.7 Ų74.717%0.1740%0.401CS..EExtended strand (participates in β ladder)trans-119.9140.3-179.8-52.5-64.3-178.8163.80110K190 Y191 V193 G211 F220K190-K216 CarbonylContact C-O 3.59Å; K190-K216 WeakPolarHBondContact CA-O 3.5Å; K190-K216 WeakPolarHBondContact CB-O 3.28Å; Y191-K216 PolarHBondContact N-O 2.95Å; Y191-K216 PolarHBondContact O-N 2.79Å; V193-K216 HydrophobicContact CB-CG 3.81Å; V193-K216 HydrophobicContact CG2-CB 4.16Å; V193-K216 HydrophobicContact CG2-CG 3.65Å; G211-K216 WeakPolarHBondContact O-CE 3.49Å; G211-K216 PolarHBondContact O-NZ 3.08Å; K216-F220 HydrophobicContact CB-CB 3.73Å; K216-F220 HydrophobicContact CB-CD1 4.08Å; K216-F220 HydrophobicContact CB-CD2 4.36Å; K216-F220 HydrophobicContact CB-CG 3.8Å; K216-F220 HydrophobicContact CD-CD2 3.95Å; K216-F220 HydrophobicContact CD-CE2 4.17Å; K216-F220 HydrophobicContact CD-CG 4.25Å; K216-F220 HydrophobicContact CG-CB 4.41Å; K216-F220 HydrophobicContact CG-CD1 4.05Å; K216-F220 HydrophobicContact CG-CD2 4.15Å; K216-F220 HydrophobicContact CG-CE1 4.37Å; K216-F220 HydrophobicContact CG-CE2 4.46Å; K216-F220 HydrophobicContact CG-CG 3.94Å
217P91.7Very high87.5Confident67 Ų6775.6 Ų75.644%0.43540%0.402SS..EExtended strand (participates in β ladder)trans-70.5163.6169.932.6-36.4000111.2T219 F220P217-T219 VanDerWaalsContact CG-OG1 3.32Å; P217-T219 WeakPolarHBondContact CG-OG1 3.48Å; P217-T219 PolarHBondContact O-N 3.46Å; P217-F220 VanDerWaalsContact O-CB 3.24Å; P217-F220 WeakPolarHBondContact O-CB 3.18Å; P217-F220 PolarHBondContact O-N 3.41Å
218S88.9Confident87.5Confident27 Ų2779 Ų7919%0.18942%0.421CS..G310 helixtrans-50.7-31.5171.9-69.40000114D149 V189 F220 W221D149-S218 WeakPolarHBondContact OD1-CB 3.48Å; D149-S218 PolarHBondContact OD1-OG 2.73Å; V189-S218 PolarHBondContact O-N 2.96Å; S218-F220 PolarHBondContact O-N 2.96Å; S218-F220 VanDerWaalsContact O-N 3.1Å; S218-W221 PolarHBondContact O-N 2.66Å; S218-W221 VanDerWaalsContact O-N 3.09Å
219T89.6Confident87.7Confident118 Ų11873.9 Ų73.972%0.72439%0.394SS*.G310 helixtrans-67.2-4.3176.953.70000115.1P217 W221P217-T219 VanDerWaalsContact CG-OG1 3.32Å; P217-T219 WeakPolarHBondContact CG-OG1 3.48Å; P217-T219 PolarHBondContact O-N 3.46Å; T219-W221 VanDerWaalsContact C-N 3.27Å
220F90.9Very high87.8Confident70 Ų7067.1 Ų67.131%0.30736%0.363SS..G310 helixtrans-67.7-29.8167.6177.1-107000112.3H175 V193 K216 P217 S218H175-F220 AromaticContact NE2-CZ 3.85Å; V193-F220 HydrophobicContact CG1-CE1 4.06Å; V193-F220 HydrophobicContact CG1-CZ 4.44Å; V193-F220 HydrophobicContact CG2-CD1 4.33Å; V193-F220 HydrophobicContact CG2-CE1 4.19Å; K216-F220 HydrophobicContact CB-CB 3.73Å; K216-F220 HydrophobicContact CB-CD1 4.08Å; K216-F220 HydrophobicContact CB-CD2 4.36Å; K216-F220 HydrophobicContact CB-CG 3.8Å; K216-F220 HydrophobicContact CD-CD2 3.95Å; K216-F220 HydrophobicContact CD-CE2 4.17Å; K216-F220 HydrophobicContact CD-CG 4.25Å; K216-F220 HydrophobicContact CG-CB 4.41Å; K216-F220 HydrophobicContact CG-CD1 4.05Å; K216-F220 HydrophobicContact CG-CD2 4.15Å; K216-F220 HydrophobicContact CG-CE1 4.37Å; K216-F220 HydrophobicContact CG-CE2 4.46Å; K216-F220 HydrophobicContact CG-CG 3.94Å; P217-F220 VanDerWaalsContact O-CB 3.24Å; P217-F220 WeakPolarHBondContact O-CB 3.18Å; P217-F220 PolarHBondContact O-N 3.41Å; S218-F220 PolarHBondContact O-N 2.96Å; S218-F220 VanDerWaalsContact O-N 3.1Å
221W89.1Confident87.9Confident17 Ų1760.9 Ų60.96%0.06434%0.336CS..SBendtrans-83.7130.5176.6-47.5117.3000109.7I148 I168 H175 I177 Y191 V193 S218 T219 Y227I148-W221 HydrophobicContact CD1-CB 3.57Å; I148-W221 VanDerWaalsContact CD1-CD1 3.41Å; I148-W221 HydrophobicContact CD1-CD2 3.42Å; I148-W221 VanDerWaalsContact CD1-CD2 3.42Å; I148-W221 HydrophobicContact CD1-CE3 4.06Å; I148-W221 HydrophobicContact CD1-CG 3.16Å; I168-W221 HydrophobicContact CD1-CD2 4.33Å; I168-W221 HydrophobicContact CD1-CE3 4.11Å; I168-W221 HydrophobicContact CD1-CH2 4.07Å; I168-W221 HydrophobicContact CD1-CZ2 4.26Å; I168-W221 HydrophobicContact CD1-CZ3 3.99Å; I168-W221 HydrophobicContact CG2-CH2 3.65Å; I168-W221 HydrophobicContact CG2-CZ2 4.5Å; I168-W221 HydrophobicContact CG2-CZ3 3.94Å; H175-W221 HydrophobicContact CB-CH2 4.34Å; H175-W221 HydrophobicContact CB-CZ3 4.46Å; H175-W221 AromaticContact ND1-CZ3 3.88Å; I177-W221 HydrophobicContact CD1-CH2 4.43Å; I177-W221 HydrophobicContact CD1-CZ2 3.99Å; I177-W221 HydrophobicContact CG1-CH2 4.34Å; I177-W221 HydrophobicContact CG1-CZ2 4.19Å; Y191-W221 AromaticContact CD2-NE1 3.21Å; Y191-W221 AromaticContact CE2-NE1 3.54Å; Y191-W221 HydrophobicContact CG-CZ2 4.43Å; Y191-W221 AromaticContact CG-NE1 3.78Å; V193-W221 HydrophobicContact CG1-CH2 4.39Å; V193-W221 HydrophobicContact CG2-CH2 3.83Å; V193-W221 HydrophobicContact CG2-CZ2 3.72Å; S218-W221 PolarHBondContact O-N 2.66Å; S218-W221 VanDerWaalsContact O-N 3.09Å; T219-W221 VanDerWaalsContact C-N 3.27Å; W221-Y227 HydrophobicContact CB-CE2 4.1Å; W221-Y227 HydrophobicContact CE3-CE1 4.13Å
222A83.7Confident88Confident60 Ų6060 Ų6050%0.49633%0.327SS..PPolyproline II helixtrans-69.5133.5-178.400000110.1P225 Y227A222-P225 HydrophobicContact CB-CG 4.25Å; A222-P225 WeakPolarHBondContact O-CD 3.41Å; A222-Y227 PolarHBondContact N-OH 2.89Å; A222-Y227 WeakPolarHBondContact O-CE2 3.18Å
223K77.5Confident87.8Confident207 Ų20757.7 Ų57.790%0.932%0.324SS*.SBendtrans-71.8129.7172.6-61.5-172.9177.7-170.80109.7
224G71.7Confident87.6Confident73 Ų7356.8 Ų56.875%0.75332%0.317SS*.SBendtrans125-59.1176.300000115.2
225P72Confident87.4Confident57 Ų5757.7 Ų57.737%0.3732%0.319SS..SBendtrans-67.7137.9176.827.5-34.4000111.2A222 Y227A222-P225 HydrophobicContact CB-CG 4.25Å; A222-P225 WeakPolarHBondContact O-CD 3.41Å; P225-Y227 HydrophobicContact CG-CE2 3.96Å; P225-Y227 VanDerWaalsContact O-CD2 3.31Å; P225-Y227 WeakPolarHBondContact O-CD2 3.24Å
226F81.1Confident86.8Confident158 Ų15859.6 Ų59.669%0.69333%0.326SS*.  trans-65.7135.4165.3-65.5-73.8000109.8
227Y87.1Confident85.7Confident34 Ų3459.5 Ų59.513%0.13333%0.327CS..EExtended strand (participates in β ladder)trans-107.9130.6173.4-71-87.9000109.9I148 I168 G169 W221 A222 P225I148-Y227 HydrophobicContact CD1-CD1 4.05Å; I148-Y227 HydrophobicContact CD1-CD2 3.75Å; I148-Y227 HydrophobicContact CD1-CE1 4.45Å; I148-Y227 HydrophobicContact CD1-CE2 4.18Å; I148-Y227 HydrophobicContact CD1-CG 3.67Å; I148-Y227 HydrophobicContact CG1-CD2 4.34Å; I148-Y227 HydrophobicContact CG1-CG 4.11Å; I168-Y227 HydrophobicContact CD1-CD1 3.71Å; I168-Y227 HydrophobicContact CD1-CE1 4.45Å; I168-Y227 HydrophobicContact CD1-CG 4.13Å; I168-Y227 HydrophobicContact CG1-CD1 3.82Å; I168-Y227 HydrophobicContact CG1-CG 4.47Å; G169-Y227 WeakPolarHBondContact O-CA 3.37Å; W221-Y227 HydrophobicContact CB-CE2 4.1Å; W221-Y227 HydrophobicContact CE3-CE1 4.13Å; A222-Y227 PolarHBondContact N-OH 2.89Å; A222-Y227 WeakPolarHBondContact O-CE2 3.18Å; P225-Y227 HydrophobicContact CG-CE2 3.96Å; P225-Y227 VanDerWaalsContact O-CD2 3.31Å; P225-Y227 WeakPolarHBondContact O-CD2 3.24Å
228N88.5Confident84.1Confident86 Ų8662.4 Ų62.446%0.4633%0.333SS..EExtended strand (participates in β ladder)trans-103.7130.4172.1-62.8-36.1000109S127 G169S127-N228 WeakPolarHBondContact OG-CB 3.46Å; G169-N228 PolarHBondContact N-O 2.85Å; G169-N228 PolarHBondContact O-N 2.82Å
229L91.3Very high83.9Confident0 Ų064.2 Ų64.20%034%0.34CS..EExtended strand (participates in β ladder)trans-94.3139168-60.4-175.3000109.9S144 G145 N151 L155 V166 I168 I177 L231S144-L229 WeakPolarHBondContact CA-O 3.42Å; G145-L229 PolarHBondContact N-O 3.07Å; G145-L229 PolarHBondContact O-N 3.46Å; N151-L229 HydrophobicContact CB-CD1 3.73Å; N151-L229 VanDerWaalsContact ND2-CD1 3.28Å; N151-L229 WeakPolarHBondContact ND2-CD1 3.34Å; L155-L229 HydrophobicContact CD1-CD1 4.36Å; L155-L229 HydrophobicContact CD2-CD1 4.08Å; L155-L229 HydrophobicContact CG-CD1 4.19Å; V166-L229 HydrophobicContact CG1-CB 4.43Å; V166-L229 HydrophobicContact CG1-CD2 4.3Å; I168-L229 HydrophobicContact CB-CD2 3.66Å; I168-L229 HydrophobicContact CD1-CD2 3.79Å; I168-L229 HydrophobicContact CG1-CD2 3.71Å; I177-L229 HydrophobicContact CD1-CD2 4.3Å; L229-L231 HydrophobicContact CB-CD1 3.46Å; L229-L231 VanDerWaalsContact CB-CD1 3.46Å; L229-L231 HydrophobicContact CB-CG 4.33Å; L229-L231 HydrophobicContact CD1-CD1 4.36Å
230L92Very high83.6Confident4 Ų461.3 Ų61.32%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-103.7111.8162.1168.161.9000107L130 N131 L134 K142 V166 M167 P232L130-L230 HydrophobicContact CB-CD2 3.45Å; L130-L230 VanDerWaalsContact CB-CD2 3.45Å; L130-L230 HydrophobicContact CD2-CD2 4.11Å; L130-L230 HydrophobicContact CG-CD2 4.42Å; N131-L230 HydrophobicContact CB-CD1 3.83Å; L134-L230 HydrophobicContact CD1-CD2 4.02Å; K142-L230 HydrophobicContact CB-CD1 3.98Å; K142-L230 HydrophobicContact CD-CD1 4.24Å; V166-L230 WeakPolarHBondContact CG1-O 3.4Å; M167-L230 HydrophobicContact CB-CB 4.39Å; M167-L230 PolarHBondContact N-O 3.42Å; M167-L230 PolarHBondContact O-N 3.1Å; L230-P232 HydrophobicContact CG-CG 4.41Å; L230-P232 WeakPolarHBondContact O-CD 3.15Å; L230-P232 WeakPolarHBondContact O-CG 3.32Å
231L93.3Very high83.2Confident13 Ų1360.8 Ų60.87%0.06832%0.321CS..  trans-98.1107.6-170.8-74.593.9000114.6K142 E143 G145 E154 H158 L229 G233K142-L231 WeakPolarHBondContact CB-O 3.38Å; K142-L231 WeakPolarHBondContact CD-O 3.14Å; K142-L231 WeakPolarHBondContact CG-O 3.1Å; E143-L231 PolarHBondContact O-N 2.88Å; G145-L231 VanDerWaalsContact N-CD1 3.33Å; E154-L231 VanDerWaalsContact CD-CD2 3.47Å; E154-L231 HydrophobicContact CG-CD2 3.73Å; H158-L231 HydrophobicContact CB-CD2 4.1Å; L229-L231 HydrophobicContact CB-CD1 3.46Å; L229-L231 VanDerWaalsContact CB-CD1 3.46Å; L229-L231 HydrophobicContact CB-CG 4.33Å; L229-L231 HydrophobicContact CD1-CD1 4.36Å; L231-G233 PolarHBondContact O-N 2.99Å
232P92.8Very high82.8Confident0 Ų063.4 Ų63.40%034%0.336CS..  trans-37.412.3-175.316.715000129.9I84 K142 H158 T164 P165 L230 R234I84-P232 HydrophobicContact CD1-CG 4.21Å; I84-P232 HydrophobicContact CG2-CB 4.46Å; I84-P232 HydrophobicContact CG2-CG 4.46Å; K142-P232 HydrophobicContact CD-CB 3.56Å; K142-P232 HydrophobicContact CD-CG 4.21Å; K142-P232 VanDerWaalsContact NZ-CB 3.29Å; K142-P232 PolarHBondContact NZ-O 3.11Å; H158-P232 WeakPolarHBondContact CE1-CA 3.45Å; T164-P232 WeakPolarHBondContact CG2-O 3.2Å; T164-P232 WeakPolarHBondContact OG1-CA 3.14Å; T164-P232 WeakPolarHBondContact OG1-CB 3.34Å; T164-P232 PolarHBondContact OG1-O 3.23Å; P165-P232 WeakPolarHBondContact O-CD 3.04Å; P165-P232 WeakPolarHBondContact O-CG 3.43Å; L230-P232 HydrophobicContact CG-CG 4.41Å; L230-P232 WeakPolarHBondContact O-CD 3.15Å; L230-P232 WeakPolarHBondContact O-CG 3.32Å; P232-R234 PolarHBondContact O-N 3.11Å
233G91.1Very high82.8Confident19 Ų1963.6 Ų63.620%0.19633%0.326CS..  trans-21.4121.5-174.800000119.1V140 K142 L231V140-G233 WeakPolarHBondContact CG1-O 3.25Å; K142-G233 PolarHBondContact NZ-O 2.99Å; L231-G233 PolarHBondContact O-N 2.99Å
234R89.7Confident83.1Confident10 Ų1054.1 Ų54.14%0.03829%0.288CS..PPolyproline II helixtrans-83.3132.6-172176.1-169.1-65.5-1794.4111.8D27 W87 Y93 E162 P232 R236D27-R234 WeakPolarHBondContact O-CD 3.3Å; D27-R234 PolarHBondContact O-NH1 2.84Å; D27-R234 IonicContact OD2-NH1 3.69Å; W87-R234 HydrophobicContact CH2-CB 4.47Å; W87-R234 HydrophobicContact CH2-CG 4.09Å; Y93-R234 HydrophobicContact CE1-CG 3.75Å; Y93-R234 HydrophobicContact CE2-CG 4.29Å; Y93-R234 VanDerWaalsContact OH-CD 3.24Å; Y93-R234 WeakPolarHBondContact OH-CD 3.48Å; Y93-R234 WeakPolarHBondContact OH-CG 3.41Å; E162-R234 HydrophobicContact CB-CB 4.4Å; E162-R234 PolarHBondContact O-NE 3.46Å; E162-R234 PolarHBondContact O-NH2 2.93Å; E162-R234 VanDerWaalsContact OE2-CB 3.23Å; E162-R234 WeakPolarHBondContact OE2-CB 3.49Å; E162-R234 PolarHBondContact OE2-N 3.48Å; P232-R234 PolarHBondContact O-N 3.11Å; R234-R236 PolarHBondContact O-N 2.91Å
235P86.7Confident83.9Confident39 Ų3952.7 Ų52.725%0.25325%0.254SS..PPolyproline II helixtrans-61.2133.2174.2-21.633.1000111.9Y88 Y93 V140Y88-P235 HydrophobicContact CD1-CG 4.45Å; Y88-P235 HydrophobicContact CE1-CG 4.31Å; Y93-P235 HydrophobicContact CD1-CB 3.89Å; Y93-P235 HydrophobicContact CD1-CG 3.9Å; Y93-P235 WeakPolarHBondContact CE1-O 3.33Å; Y93-P235 HydrophobicContact CG-CG 4.23Å; V140-P235 HydrophobicContact CG1-CG 4.25Å; V140-P235 HydrophobicContact CG2-CG 4.18Å
236R82Confident84.8Confident153 Ų15352.4 Ų52.458%0.57725%0.245SC*.PPolyproline II helixtrans-80.6131.4172.3-50.6-55.6-177.9-144.8-8108.7E162 R234E162-R236 IonicContact OE1-CZ 2.8Å; E162-R236 IonicContact OE1-NH1 2.67Å; E162-R236 IonicContact OE1-NH2 2.71Å; E162-R236 PolarHBondContact OE1-NH2 3.25Å; E162-R236 IonicContact OE2-CZ 3.46Å; E162-R236 IonicContact OE2-NH1 3.47Å; E162-R236 PolarHBondContact OE2-NH1 2.86Å; E162-R236 IonicContact OE2-NH2 3.5Å; E162-R236 PolarHBondContact OE2-NH2 2.61Å; R234-R236 PolarHBondContact O-N 2.91Å
237I69.8Low85.2Confident38 Ų3843.6 Ų43.620%0.19521%0.208CC..  trans-104.1-18.3-173.6-59.3146.3000111.7C29 Y93C29-I237 HydrophobicContact CB-CD1 3.83Å; C29-I237 WeakPolarHBondContact SG-CD1 3.45Å; Y93-I237 HydrophobicContact CD1-CD1 3.92Å; Y93-I237 HydrophobicContact CD1-CG1 4.18Å; Y93-I237 HydrophobicContact CE1-CD1 3.33Å; Y93-I237 HydrophobicContact CE1-CG1 3.95Å
238F57.7Low85Confident127 Ų12744.5 Ų44.556%0.55722%0.215SC*.  trans-134.30-178.8-54.4-87000108.7F16 M26F16-F238 HydrophobicContact CB-CE1 4.33Å; F16-F238 HydrophobicContact CD2-CD1 4.27Å; F16-F238 HydrophobicContact CD2-CE1 4.23Å; M26-F238 HydrophobicContact CE-CD1 3.71Å; M26-F238 HydrophobicContact CE-CD2 3.81Å; M26-F238 HydrophobicContact CE-CE1 3.66Å; M26-F238 HydrophobicContact CE-CE2 3.74Å; M26-F238 HydrophobicContact CE-CG 3.78Å; M26-F238 HydrophobicContact CE-CZ 3.66Å; M26-F238 WeakPolarHBondContact O-CD2 3.4Å

Retrieved 238 of 238 residues in 132.5 ms (Link to these results)

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