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Formate acetyltransferase

Catalyzes the conversion of pyruvate to formate and acetyl-CoA.

AlphaFold DB (Q2G1D8), UniProt , Accession Q99WZ7, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene pflB, Length 749 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
1M42.3Very low62.5Low176 Ų17692.8 Ų92.887%0.86749%0.489SS*.  0-64.40-89.1-155.9-100.300114.3T4 N5M1-T4 WeakPolarHBondContact CA-OG1 3.28Å; M1-T4 PolarHBondContact N-OG1 3.5Å; M1-N5 WeakPolarHBondContact O-CB 3.3Å; M1-N5 PolarHBondContact O-N 3.28Å; M1-N5 PolarHBondContact O-ND2 2.73Å
2L38.1Very low65.3Low160 Ų16087.3 Ų87.384%0.83846%0.456SS*.Hα-helixtrans-67.1-36.6-177.3-86162000113.9
3E43.7Very low67.4Low160 Ų16091.4 Ų91.475%0.74847%0.472SS*.Hα-helixtrans-79.1-42.2177.2-127.8167.6-17000112N5 K6 N7E3-N5 VanDerWaalsContact C-N 3.31Å; E3-N5 PolarHBondContact O-N 2.83Å; E3-K6 PolarHBondContact O-N 3.12Å; E3-N7 PolarHBondContact O-N 3.26Å
4T51.9Low69.3Low27 Ų2790.1 Ų90.117%0.16649%0.493CS..Hα-helixtrans-54-47.1173-7.30000111.2M1 K6 N7 H8M1-T4 WeakPolarHBondContact CA-OG1 3.28Å; M1-T4 PolarHBondContact N-OG1 3.5Å; T4-K6 VanDerWaalsContact C-N 3.28Å; T4-K6 PolarHBondContact O-N 2.93Å; T4-N7 PolarHBondContact O-N 2.88Å; T4-H8 PolarHBondContact O-N 3.47Å; T4-H8 PolarHBondContact O-ND1 3.17Å
5N56.6Low71.2Confident108 Ų10885.4 Ų85.458%0.57847%0.465SS*.Hα-helixtrans-63.3-26.6177.4-81.1-18.6000114.4M1 E3 A9M1-N5 WeakPolarHBondContact O-CB 3.3Å; M1-N5 PolarHBondContact O-N 3.28Å; M1-N5 PolarHBondContact O-ND2 2.73Å; E3-N5 VanDerWaalsContact C-N 3.31Å; E3-N5 PolarHBondContact O-N 2.83Å; N5-A9 WeakPolarHBondContact O-CB 3.22Å; N5-A9 PolarHBondContact O-N 2.9Å
6K58.6Low72.8Confident157 Ų15787.9 Ų87.968%0.68347%0.47SS*.Hα-helixtrans-74.1-43.1177.2-87.7-172.3176.5-178.60112E3 T4 H8 A9E3-K6 PolarHBondContact O-N 3.12Å; T4-K6 VanDerWaalsContact C-N 3.28Å; T4-K6 PolarHBondContact O-N 2.93Å; K6-H8 VanDerWaalsContact C-N 3.34Å; K6-H8 PolarHBondContact O-N 3.47Å; K6-A9 PolarHBondContact O-N 3.42Å
7N63.8Low74.2Confident73 Ų7390.4 Ų90.439%0.3948%0.484SS..Hα-helixtrans-65.4-39.2179.7-70.4-8.1000111.4E3 T4 A9 A11 R242E3-N7 PolarHBondContact O-N 3.26Å; T4-N7 PolarHBondContact O-N 2.88Å; N7-A9 PolarHBondContact O-N 3.38Å; N7-A11 PolarHBondContact O-N 3Å; N7-R242 HydrophobicContact CB-CB 4.43Å
8H76.3Confident75.4Confident13 Ų1386.5 Ų86.56%0.0647%0.468CS..Hα-helixtrans-64.1-37.9174.2-66.4127.3000112.8T4 K6 T10 A11 W12 Y188 F192T4-H8 PolarHBondContact O-N 3.47Å; T4-H8 PolarHBondContact O-ND1 3.17Å; K6-H8 VanDerWaalsContact C-N 3.34Å; K6-H8 PolarHBondContact O-N 3.47Å; H8-T10 VanDerWaalsContact C-N 3.33Å; H8-T10 PolarHBondContact O-N 3.36Å; H8-A11 PolarHBondContact O-N 3.19Å; H8-W12 HydrophobicContact CB-CD2 4.08Å; H8-W12 HydrophobicContact CB-CE3 3.84Å; H8-W12 HydrophobicContact CB-CH2 4.06Å; H8-W12 HydrophobicContact CB-CZ2 4.28Å; H8-W12 HydrophobicContact CB-CZ3 3.82Å; H8-W12 AromaticContact CD2-CE2 3.87Å; H8-W12 AromaticContact CD2-CH2 3.77Å; H8-W12 AromaticContact CD2-CZ2 3.46Å; H8-W12 VanDerWaalsContact CD2-CZ2 3.46Å; H8-W12 WeakPolarHBondContact CD2-CZ2 3.41Å; H8-W12 AromaticContact CG-CH2 3.87Å; H8-W12 AromaticContact CG-CZ2 3.99Å; H8-W12 VanDerWaalsContact O-CB 3.27Å; H8-W12 WeakPolarHBondContact O-CB 3.2Å; H8-W12 PolarHBondContact O-N 2.91Å; H8-Y188 PolarHBondContact NE2-O 3.11Å; H8-F192 AromaticContact CE1-CD2 3.74Å
9A75.9Confident76.4Confident68 Ų6888.2 Ų88.256%0.56247%0.467SS*.Hα-helixtrans-62.3-37.1-177.700000113.3N5 K6 N7N5-A9 WeakPolarHBondContact O-CB 3.22Å; N5-A9 PolarHBondContact O-N 2.9Å; K6-A9 PolarHBondContact O-N 3.42Å; N7-A9 PolarHBondContact O-N 3.38Å
10T86.2Confident77.4Confident79 Ų7983.8 Ų83.849%0.48544%0.444SS..Hα-helixtrans-74.3-51.4176.6-530000111.1H8 W12 Q13H8-T10 VanDerWaalsContact C-N 3.33Å; H8-T10 PolarHBondContact O-N 3.36Å; T10-W12 VanDerWaalsContact C-N 3.26Å; T10-W12 PolarHBondContact O-N 2.6Å; T10-Q13 VanDerWaalsContact O-CB 3.27Å; T10-Q13 WeakPolarHBondContact O-CB 3.37Å; T10-Q13 PolarHBondContact O-N 3.18Å; T10-Q13 VanDerWaalsContact O-N 3.14Å
11A94.1Very high78.2Confident0 Ų081.2 Ų81.20%043%0.43CS..Hα-helixtrans-61.8-33.4-176.200000113.3N7 H8 P243 E245 R285N7-A11 PolarHBondContact O-N 3Å; H8-A11 PolarHBondContact O-N 3.19Å; A11-P243 HydrophobicContact CB-CB 3.84Å; A11-P243 HydrophobicContact CB-CG 3.41Å; A11-P243 VanDerWaalsContact CB-CG 3.41Å; A11-E245 HydrophobicContact CB-CG 3.97Å; A11-R285 PolarHBondContact O-NH1 2.82Å
12W95.8Very high80.4Confident26 Ų2680.7 Ų80.710%0.09842%0.418CS..THydrogen-bonded Turntrans-92.47.7-179.2-60.5-15.8000114.2H8 T10 G14 F15 W20 N21 L187 Y188H8-W12 HydrophobicContact CB-CD2 4.08Å; H8-W12 HydrophobicContact CB-CE3 3.84Å; H8-W12 HydrophobicContact CB-CH2 4.06Å; H8-W12 HydrophobicContact CB-CZ2 4.28Å; H8-W12 HydrophobicContact CB-CZ3 3.82Å; H8-W12 AromaticContact CD2-CE2 3.87Å; H8-W12 AromaticContact CD2-CH2 3.77Å; H8-W12 AromaticContact CD2-CZ2 3.46Å; H8-W12 VanDerWaalsContact CD2-CZ2 3.46Å; H8-W12 WeakPolarHBondContact CD2-CZ2 3.41Å; H8-W12 AromaticContact CG-CH2 3.87Å; H8-W12 AromaticContact CG-CZ2 3.99Å; H8-W12 VanDerWaalsContact O-CB 3.27Å; H8-W12 WeakPolarHBondContact O-CB 3.2Å; H8-W12 PolarHBondContact O-N 2.91Å; T10-W12 VanDerWaalsContact C-N 3.26Å; T10-W12 PolarHBondContact O-N 2.6Å; W12-G14 PolarHBondContact O-N 2.79Å; W12-F15 HydrophobicContact CB-CD2 4.2Å; W12-F15 PolarHBondContact O-N 3.35Å; W12-F15 VanDerWaalsContact O-N 3.13Å; W12-W20 HydrophobicContact CB-CH2 4Å; W12-W20 AromaticContact CD1-CZ3 3.96Å; W12-W20 AromaticContact CD2-CH2 3.81Å; W12-W20 HydrophobicContact CD2-CH2 3.81Å; W12-W20 AromaticContact CD2-CZ3 3.53Å; W12-W20 HydrophobicContact CD2-CZ3 3.53Å; W12-W20 AromaticContact CE2-CZ3 3.55Å; W12-W20 HydrophobicContact CE3-CH2 4.2Å; W12-W20 AromaticContact CE3-CZ3 3.98Å; W12-W20 HydrophobicContact CE3-CZ3 3.98Å; W12-W20 AromaticContact CG-CH2 3.72Å; W12-W20 HydrophobicContact CG-CH2 3.72Å; W12-W20 AromaticContact CG-CZ3 3.81Å; W12-W20 HydrophobicContact CG-CZ3 3.81Å; W12-W20 HydrophobicContact CH2-CZ3 4.38Å; W12-W20 HydrophobicContact CZ2-CE3 4.49Å; W12-W20 AromaticContact CZ2-CZ3 3.99Å; W12-W20 HydrophobicContact CZ2-CZ3 3.99Å; W12-W20 HydrophobicContact CZ3-CZ3 4.38Å; W12-W20 AromaticContact NE1-CZ3 3.81Å; W12-N21 HydrophobicContact CE3-CB 4.43Å; W12-N21 HydrophobicContact CZ3-CB 3.89Å; W12-N21 WeakPolarHBondContact CZ3-ND2 3.4Å; W12-L187 PolarHBondContact NE1-O 3.03Å; W12-Y188 HydrophobicContact CH2-CD1 4.4Å; W12-Y188 HydrophobicContact CH2-CE1 4.47Å; W12-Y188 AromaticContact CZ2-CD1 3.96Å; W12-Y188 HydrophobicContact CZ2-CD1 3.96Å; W12-Y188 HydrophobicContact CZ2-CE1 4.22Å
13Q93.3Very high83Confident141 Ų14178 Ų7866%0.65940%0.401SS*.THydrogen-bonded Turntrans-56129.4178.6-174.21762.500110.9T10 F15 R285T10-Q13 VanDerWaalsContact O-CB 3.27Å; T10-Q13 WeakPolarHBondContact O-CB 3.37Å; T10-Q13 PolarHBondContact O-N 3.18Å; T10-Q13 VanDerWaalsContact O-N 3.14Å; Q13-F15 VanDerWaalsContact C-N 3.34Å; Q13-R285 WeakPolarHBondContact O-CD 3.39Å; Q13-R285 PolarHBondContact O-NH1 2.85Å
14G93.4Very high85.6Confident74 Ų7471.4 Ų71.476%0.76337%0.372SS*.THydrogen-bonded Turntrans88-11.1178.700000115.3W12W12-G14 PolarHBondContact O-N 2.79Å
15F97.6Very high87.8Confident19 Ų1971.4 Ų71.48%0.08337%0.371CS..SBendtrans-80.6149174.6-58.8-38.4000111.9W12 Q13 W20 F29 N33 I281 Y282 R285W12-F15 HydrophobicContact CB-CD2 4.2Å; W12-F15 PolarHBondContact O-N 3.35Å; W12-F15 VanDerWaalsContact O-N 3.13Å; Q13-F15 VanDerWaalsContact C-N 3.34Å; F15-W20 HydrophobicContact CB-CH2 4.03Å; F15-W20 HydrophobicContact CB-CZ2 3.87Å; F15-W20 HydrophobicContact CD2-CH2 4.19Å; F15-F29 HydrophobicContact CB-CE2 4.28Å; F15-F29 HydrophobicContact CD1-CE2 4.31Å; F15-F29 AromaticContact CD2-CE2 3.65Å; F15-F29 HydrophobicContact CD2-CE2 3.65Å; F15-F29 HydrophobicContact CD2-CZ 4.16Å; F15-F29 HydrophobicContact CE1-CZ 4.45Å; F15-F29 AromaticContact CE2-CE2 3.99Å; F15-F29 HydrophobicContact CE2-CE2 3.99Å; F15-F29 HydrophobicContact CE2-CZ 4.03Å; F15-F29 AromaticContact CG-CE2 3.84Å; F15-F29 HydrophobicContact CG-CE2 3.84Å; F15-F29 HydrophobicContact CG-CZ 4.44Å; F15-F29 HydrophobicContact CZ-CE2 4.46Å; F15-F29 HydrophobicContact CZ-CZ 4.18Å; F15-N33 WeakPolarHBondContact CA-OD1 3.21Å; F15-I281 HydrophobicContact CD1-CG2 3.92Å; F15-I281 HydrophobicContact CE1-CG2 3.44Å; F15-I281 VanDerWaalsContact CE1-CG2 3.44Å; F15-I281 HydrophobicContact CZ-CG2 4.05Å; F15-Y282 HydrophobicContact CE2-CD1 4.44Å; F15-Y282 AromaticContact CE2-CE1 3.94Å; F15-Y282 HydrophobicContact CE2-CE1 3.94Å; F15-Y282 AromaticContact CZ-CD1 3.94Å; F15-Y282 HydrophobicContact CZ-CD1 3.94Å; F15-Y282 AromaticContact CZ-CE1 3.9Å; F15-Y282 HydrophobicContact CZ-CE1 3.9Å; F15-Y282 HydrophobicContact CZ-CE2 4.45Å; F15-Y282 HydrophobicContact CZ-CG 4.26Å; F15-R285 HydrophobicContact CE1-CB 4.34Å
16K97.6Very high89.8Confident126 Ų12666.4 Ų66.455%0.54835%0.345SS..PPolyproline II helixtrans-73.2125.6174.5-60.9-173.9-159148.90109.7W20 L32 N33K16-W20 WeakPolarHBondContact O-CZ2 3.36Å; K16-W20 PolarHBondContact O-NE1 2.69Å; K16-L32 HydrophobicContact CB-CB 4.23Å; K16-L32 VanDerWaalsContact CD-O 3.26Å; K16-L32 WeakPolarHBondContact CD-O 3.43Å; K16-L32 WeakPolarHBondContact CE-O 3.19Å; K16-L32 PolarHBondContact NZ-O 2.9Å; K16-N33 PolarHBondContact N-OD1 2.95Å
17N95.8Very high91.7Very high130 Ų13062.3 Ų62.370%0.69533%0.325SS*.PPolyproline II helixtrans-67.1148.2178.5-66.5-39.6000112.2N21N17-N21 WeakPolarHBondContact CA-OD1 3.39Å
18G95.6Very high93.3Very high20 Ų2060.3 Ų60.321%0.20631%0.313CS..SBendtrans-157.1-162177.500000112.3W20 N21G18-W20 VanDerWaalsContact C-N 3.26Å; G18-N21 PolarHBondContact N-OD1 2.83Å; G18-N21 PolarHBondContact O-OD1 3.29Å
19R95.5Very high94.4Very high119 Ų11959.7 Ų59.745%0.44931%0.31SS..G310 helixtrans-67.6-29.8168-60178.8-66.3119.213.7111.2N21 R22 H23 D25 E28R19-N21 PolarHBondContact O-N 3.32Å; R19-R22 PolarHBondContact O-N 3.49Å; R19-H23 PolarHBondContact O-N 3.42Å; R19-D25 IonicContact CZ-OD2 3.49Å; R19-D25 VanDerWaalsContact CZ-OD2 3.25Å; R19-D25 IonicContact NH1-OD2 3.36Å; R19-D25 PolarHBondContact NH1-OD2 2.78Å; R19-D25 IonicContact NH2-OD2 2.74Å; R19-D25 PolarHBondContact NH2-OD2 3.35Å; R19-E28 VanDerWaalsContact CA-OE2 3.24Å; R19-E28 WeakPolarHBondContact CA-OE2 3.48Å; R19-E28 VanDerWaalsContact CB-OE2 3.26Å; R19-E28 WeakPolarHBondContact CB-OE2 3.34Å; R19-E28 IonicContact CZ-OE1 3.65Å; R19-E28 VanDerWaalsContact CZ-OE1 3.29Å; R19-E28 PolarHBondContact N-OE2 3.2Å; R19-E28 IonicContact NE-OE1 3.68Å; R19-E28 PolarHBondContact NE-OE1 2.9Å; R19-E28 IonicContact NH2-OE1 3.97Å; R19-E28 PolarHBondContact NH2-OE1 3.37Å
20W96.6Very high95.5Very high0 Ų057 Ų570%029%0.286CS..G310 helixtrans-55.5-21.117773.9-94.5000113.6W12 F15 K16 G18 R22 H23 D25 E28 F29 L187 Y188W12-W20 HydrophobicContact CB-CH2 4Å; W12-W20 AromaticContact CD1-CZ3 3.96Å; W12-W20 AromaticContact CD2-CH2 3.81Å; W12-W20 HydrophobicContact CD2-CH2 3.81Å; W12-W20 AromaticContact CD2-CZ3 3.53Å; W12-W20 HydrophobicContact CD2-CZ3 3.53Å; W12-W20 AromaticContact CE2-CZ3 3.55Å; W12-W20 HydrophobicContact CE3-CH2 4.2Å; W12-W20 AromaticContact CE3-CZ3 3.98Å; W12-W20 HydrophobicContact CE3-CZ3 3.98Å; W12-W20 AromaticContact CG-CH2 3.72Å; W12-W20 HydrophobicContact CG-CH2 3.72Å; W12-W20 AromaticContact CG-CZ3 3.81Å; W12-W20 HydrophobicContact CG-CZ3 3.81Å; W12-W20 HydrophobicContact CH2-CZ3 4.38Å; W12-W20 HydrophobicContact CZ2-CE3 4.49Å; W12-W20 AromaticContact CZ2-CZ3 3.99Å; W12-W20 HydrophobicContact CZ2-CZ3 3.99Å; W12-W20 HydrophobicContact CZ3-CZ3 4.38Å; W12-W20 AromaticContact NE1-CZ3 3.81Å; F15-W20 HydrophobicContact CB-CH2 4.03Å; F15-W20 HydrophobicContact CB-CZ2 3.87Å; F15-W20 HydrophobicContact CD2-CH2 4.19Å; K16-W20 WeakPolarHBondContact O-CZ2 3.36Å; K16-W20 PolarHBondContact O-NE1 2.69Å; G18-W20 VanDerWaalsContact C-N 3.26Å; W20-R22 VanDerWaalsContact C-N 3.27Å; W20-R22 PolarHBondContact O-N 2.98Å; W20-H23 CarbonylContact C-O 3.48Å; W20-H23 WeakPolarHBondContact CA-O 3.44Å; W20-H23 VanDerWaalsContact O-O 3.04Å; W20-D25 HydrophobicContact CB-CB 4.23Å; W20-D25 VanDerWaalsContact CB-O 3.28Å; W20-D25 WeakPolarHBondContact CB-O 3.19Å; W20-E28 PolarHBondContact N-OE2 3.25Å; W20-F29 HydrophobicContact CB-CB 4.08Å; W20-F29 HydrophobicContact CD2-CB 3.93Å; W20-F29 AromaticContact CD2-CD2 3.78Å; W20-F29 HydrophobicContact CD2-CD2 3.78Å; W20-F29 HydrophobicContact CD2-CG 4.33Å; W20-F29 AromaticContact CE2-CD2 3.73Å; W20-F29 HydrophobicContact CE3-CB 4.26Å; W20-F29 AromaticContact CE3-CD2 3.79Å; W20-F29 HydrophobicContact CE3-CD2 3.79Å; W20-F29 HydrophobicContact CE3-CG 4.38Å; W20-F29 HydrophobicContact CG-CB 3.84Å; W20-F29 AromaticContact CH2-CD2 3.76Å; W20-F29 HydrophobicContact CH2-CD2 3.76Å; W20-F29 AromaticContact CH2-CE2 3.95Å; W20-F29 HydrophobicContact CH2-CE2 3.95Å; W20-F29 AromaticContact CZ2-CD2 3.75Å; W20-F29 HydrophobicContact CZ2-CD2 3.75Å; W20-F29 HydrophobicContact CZ2-CE2 4.18Å; W20-F29 AromaticContact CZ3-CD2 3.78Å; W20-F29 HydrophobicContact CZ3-CD2 3.78Å; W20-F29 HydrophobicContact CZ3-CE2 4.2Å; W20-L187 HydrophobicContact CE3-CD1 3.99Å; W20-L187 HydrophobicContact CE3-CD2 4.27Å; W20-L187 HydrophobicContact CE3-CG 4.37Å; W20-L187 HydrophobicContact CZ3-CD1 3.69Å; W20-L187 HydrophobicContact CZ3-CG 4.44Å; W20-Y188 WeakPolarHBondContact O-CE1 3.36Å; W20-Y188 PolarHBondContact O-OH 2.65Å; W20-Y188 VanDerWaalsContact O-OH 3.04Å
21N93.9Very high96.1Very high29 Ų2954.1 Ų54.116%0.15527%0.267CS..G310 helixtrans-74.4-14.4174.2-61.2103.9000114.1W12 N17 G18 R19W12-N21 HydrophobicContact CE3-CB 4.43Å; W12-N21 HydrophobicContact CZ3-CB 3.89Å; W12-N21 WeakPolarHBondContact CZ3-ND2 3.4Å; N17-N21 WeakPolarHBondContact CA-OD1 3.39Å; G18-N21 PolarHBondContact N-OD1 2.83Å; G18-N21 PolarHBondContact O-OD1 3.29Å; R19-N21 PolarHBondContact O-N 3.32Å
22R88.8Confident96.3Very high165 Ų16556.9 Ų56.962%0.62328%0.282SS*.THydrogen-bonded Turntrans-122.8-18.5-175.4-64.1-169.7-64-91.1-1.1113.7R19 W20R19-R22 PolarHBondContact O-N 3.49Å; W20-R22 VanDerWaalsContact C-N 3.27Å; W20-R22 PolarHBondContact O-N 2.98Å
23H92.8Very high96.4Very high103 Ų10356.5 Ų56.548%0.47728%0.282SS..SBendtrans-137.3155.9-178.9-56.4-64.1000109.1R19 W20 D25 Y188R19-H23 PolarHBondContact O-N 3.42Å; W20-H23 CarbonylContact C-O 3.48Å; W20-H23 WeakPolarHBondContact CA-O 3.44Å; W20-H23 VanDerWaalsContact O-O 3.04Å; H23-D25 PolarHBondContact O-N 3.34Å; H23-Y188 PolarHBondContact O-OH 3.44Å
24V97.4Very high96.7Very high23 Ų2350.3 Ų50.314%0.13925%0.252CS..  trans-68.299.7172.2-174.30000109.9R184 Y188 F192 L193 E196V24-R184 HydrophobicContact CG1-CG 3.89Å; V24-R184 VanDerWaalsContact CG1-CZ 3.44Å; V24-Y188 HydrophobicContact CB-CE2 4.34Å; V24-Y188 HydrophobicContact CG1-CD2 4.37Å; V24-Y188 HydrophobicContact CG1-CE2 3.88Å; V24-F192 HydrophobicContact CG2-CD1 4.39Å; V24-F192 HydrophobicContact CG2-CE1 3.77Å; V24-L193 HydrophobicContact CG2-CD2 4Å; V24-E196 HydrophobicContact CG2-CG 4.08Å
25D98Very high96.9Very high26 Ų2649.3 Ų49.314%0.13923%0.232CC..  trans-146.172.7-179.8-163-23.4000110.6R19 W20 H23 R27 E28 F29 Y188R19-D25 IonicContact CZ-OD2 3.49Å; R19-D25 VanDerWaalsContact CZ-OD2 3.25Å; R19-D25 IonicContact NH1-OD2 3.36Å; R19-D25 PolarHBondContact NH1-OD2 2.78Å; R19-D25 IonicContact NH2-OD2 2.74Å; R19-D25 PolarHBondContact NH2-OD2 3.35Å; W20-D25 HydrophobicContact CB-CB 4.23Å; W20-D25 VanDerWaalsContact CB-O 3.28Å; W20-D25 WeakPolarHBondContact CB-O 3.19Å; H23-D25 PolarHBondContact O-N 3.34Å; D25-R27 PolarHBondContact O-N 2.97Å; D25-E28 HydrophobicContact CB-CB 4.24Å; D25-E28 VanDerWaalsContact CG-CB 3.5Å; D25-E28 PolarHBondContact O-N 3.43Å; D25-E28 WeakPolarHBondContact OD1-CB 3.27Å; D25-E28 PolarHBondContact OD1-N 2.92Å; D25-F29 PolarHBondContact O-N 3.44Å; D25-F29 VanDerWaalsContact O-N 3.14Å; D25-Y188 PolarHBondContact N-OH 3.39Å
26V98.7Very high97Very high4 Ų450.8 Ų50.82%0.02424%0.24CC..Hα-helixtrans-60.3-36179-178.30000111.2E28 F29 I30 D181 R183 R184 L187 Y188 F278V26-E28 PolarHBondContact O-N 2.88Å; V26-F29 WeakPolarHBondContact O-CB 3.15Å; V26-F29 PolarHBondContact O-N 3.23Å; V26-I30 HydrophobicContact CG1-CD1 3.95Å; V26-I30 HydrophobicContact CG1-CG1 4.38Å; V26-I30 VanDerWaalsContact O-CG1 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.05Å; V26-D181 WeakPolarHBondContact CG2-OD2 3.48Å; V26-R183 HydrophobicContact CG1-CB 3.97Å; V26-R184 HydrophobicContact CG2-CG 3.72Å; V26-L187 HydrophobicContact CG2-CD2 4.14Å; V26-Y188 HydrophobicContact CG2-CE2 4.11Å; V26-F278 HydrophobicContact CG1-CD2 4.06Å; V26-F278 HydrophobicContact CG1-CE2 4.32Å
27R98.4Very high97Very high71 Ų7146.9 Ų46.927%0.26822%0.222SC..Hα-helixtrans-60.3-47.4177.7-177.1-92.2178.5-174.6-7.3111.7D25 I30 Q31 I339 D407 D408D25-R27 PolarHBondContact O-N 2.97Å; R27-I30 PolarHBondContact O-N 3.37Å; R27-Q31 WeakPolarHBondContact O-CG 3.35Å; R27-Q31 PolarHBondContact O-N 3.24Å; R27-I339 VanDerWaalsContact NH2-CG1 3.31Å; R27-D407 IonicContact CZ-OD1 2.78Å; R27-D407 IonicContact CZ-OD2 3.51Å; R27-D407 IonicContact NE-OD1 2.79Å; R27-D407 PolarHBondContact NE-OD1 2.93Å; R27-D407 IonicContact NE-OD2 2.9Å; R27-D407 IonicContact NH2-OD1 3.84Å; R27-D407 PolarHBondContact NH2-OD1 3.08Å; R27-D407 IonicContact NH2-OD2 3.55Å; R27-D407 PolarHBondContact NH2-OD2 3.45Å; R27-D408 HydrophobicContact CB-CB 3.78Å; R27-D408 HydrophobicContact CG-CB 3.5Å
28E98.3Very high97.2Very high31 Ų3147 Ų4715%0.14522%0.219CC..Hα-helixtrans-66-40177.3-169.2-170.6-114.400111.7R19 W20 D25 V26 I30 Q31 L32R19-E28 VanDerWaalsContact CA-OE2 3.24Å; R19-E28 WeakPolarHBondContact CA-OE2 3.48Å; R19-E28 VanDerWaalsContact CB-OE2 3.26Å; R19-E28 WeakPolarHBondContact CB-OE2 3.34Å; R19-E28 IonicContact CZ-OE1 3.65Å; R19-E28 VanDerWaalsContact CZ-OE1 3.29Å; R19-E28 PolarHBondContact N-OE2 3.2Å; R19-E28 IonicContact NE-OE1 3.68Å; R19-E28 PolarHBondContact NE-OE1 2.9Å; R19-E28 IonicContact NH2-OE1 3.97Å; R19-E28 PolarHBondContact NH2-OE1 3.37Å; W20-E28 PolarHBondContact N-OE2 3.25Å; D25-E28 HydrophobicContact CB-CB 4.24Å; D25-E28 VanDerWaalsContact CG-CB 3.5Å; D25-E28 PolarHBondContact O-N 3.43Å; D25-E28 WeakPolarHBondContact OD1-CB 3.27Å; D25-E28 PolarHBondContact OD1-N 2.92Å; V26-E28 PolarHBondContact O-N 2.88Å; E28-I30 VanDerWaalsContact C-N 3.29Å; E28-I30 PolarHBondContact O-N 2.89Å; E28-Q31 PolarHBondContact O-N 3.35Å; E28-L32 HydrophobicContact CG-CD1 3.94Å; E28-L32 HydrophobicContact CG-CG 4.27Å; E28-L32 WeakPolarHBondContact O-CB 3.43Å; E28-L32 WeakPolarHBondContact O-CG 3.29Å; E28-L32 PolarHBondContact O-N 3.02Å
29F98.7Very high97.3Very high0 Ų047.3 Ų47.30%022%0.221CC..Hα-helixtrans-54.3-47.7172.4169.5-101.6000111.3F15 W20 D25 V26 N33 L187 F278 I281 Y282F15-F29 HydrophobicContact CB-CE2 4.28Å; F15-F29 HydrophobicContact CD1-CE2 4.31Å; F15-F29 AromaticContact CD2-CE2 3.65Å; F15-F29 HydrophobicContact CD2-CE2 3.65Å; F15-F29 HydrophobicContact CD2-CZ 4.16Å; F15-F29 HydrophobicContact CE1-CZ 4.45Å; F15-F29 AromaticContact CE2-CE2 3.99Å; F15-F29 HydrophobicContact CE2-CE2 3.99Å; F15-F29 HydrophobicContact CE2-CZ 4.03Å; F15-F29 AromaticContact CG-CE2 3.84Å; F15-F29 HydrophobicContact CG-CE2 3.84Å; F15-F29 HydrophobicContact CG-CZ 4.44Å; F15-F29 HydrophobicContact CZ-CE2 4.46Å; F15-F29 HydrophobicContact CZ-CZ 4.18Å; W20-F29 HydrophobicContact CB-CB 4.08Å; W20-F29 HydrophobicContact CD2-CB 3.93Å; W20-F29 AromaticContact CD2-CD2 3.78Å; W20-F29 HydrophobicContact CD2-CD2 3.78Å; W20-F29 HydrophobicContact CD2-CG 4.33Å; W20-F29 AromaticContact CE2-CD2 3.73Å; W20-F29 HydrophobicContact CE3-CB 4.26Å; W20-F29 AromaticContact CE3-CD2 3.79Å; W20-F29 HydrophobicContact CE3-CD2 3.79Å; W20-F29 HydrophobicContact CE3-CG 4.38Å; W20-F29 HydrophobicContact CG-CB 3.84Å; W20-F29 AromaticContact CH2-CD2 3.76Å; W20-F29 HydrophobicContact CH2-CD2 3.76Å; W20-F29 AromaticContact CH2-CE2 3.95Å; W20-F29 HydrophobicContact CH2-CE2 3.95Å; W20-F29 AromaticContact CZ2-CD2 3.75Å; W20-F29 HydrophobicContact CZ2-CD2 3.75Å; W20-F29 HydrophobicContact CZ2-CE2 4.18Å; W20-F29 AromaticContact CZ3-CD2 3.78Å; W20-F29 HydrophobicContact CZ3-CD2 3.78Å; W20-F29 HydrophobicContact CZ3-CE2 4.2Å; D25-F29 PolarHBondContact O-N 3.44Å; D25-F29 VanDerWaalsContact O-N 3.14Å; V26-F29 WeakPolarHBondContact O-CB 3.15Å; V26-F29 PolarHBondContact O-N 3.23Å; F29-N33 WeakPolarHBondContact CD2-ND2 3.36Å; F29-N33 HydrophobicContact CE2-CB 4.44Å; F29-N33 WeakPolarHBondContact O-CB 3.32Å; F29-N33 PolarHBondContact O-N 2.88Å; F29-N33 PolarHBondContact O-ND2 2.92Å; F29-L187 HydrophobicContact CB-CD2 3.69Å; F29-L187 HydrophobicContact CD1-CD1 4Å; F29-L187 HydrophobicContact CD1-CD2 3.92Å; F29-L187 HydrophobicContact CD2-CD1 3.67Å; F29-L187 HydrophobicContact CD2-CD2 4.3Å; F29-L187 HydrophobicContact CE1-CD1 4.03Å; F29-L187 HydrophobicContact CE2-CD1 3.7Å; F29-L187 HydrophobicContact CG-CD1 3.82Å; F29-L187 HydrophobicContact CG-CD2 3.7Å; F29-L187 HydrophobicContact CG-CG 4.45Å; F29-L187 HydrophobicContact CZ-CD1 3.87Å; F29-F278 AromaticContact CD1-CD2 3.83Å; F29-F278 HydrophobicContact CD1-CD2 3.83Å; F29-F278 AromaticContact CD1-CE2 3.74Å; F29-F278 HydrophobicContact CD1-CE2 3.74Å; F29-F278 AromaticContact CE1-CD2 3.69Å; F29-F278 HydrophobicContact CE1-CD2 3.69Å; F29-F278 AromaticContact CE1-CE2 3.48Å; F29-F278 HydrophobicContact CE1-CE2 3.48Å; F29-F278 VanDerWaalsContact CE1-CE2 3.48Å; F29-I281 HydrophobicContact CD1-CD1 4.01Å; F29-I281 HydrophobicContact CE1-CB 4.31Å; F29-I281 HydrophobicContact CE1-CD1 3.56Å; F29-I281 HydrophobicContact CE1-CG2 4.06Å; F29-I281 HydrophobicContact CE2-CG2 4.36Å; F29-I281 HydrophobicContact CZ-CB 4.29Å; F29-I281 HydrophobicContact CZ-CD1 4.18Å; F29-I281 HydrophobicContact CZ-CG2 3.58Å; F29-Y282 HydrophobicContact CE1-CE2 4.11Å; F29-Y282 AromaticContact CZ-CE2 3.95Å; F29-Y282 HydrophobicContact CZ-CE2 3.95Å
30I98.8Very high97.4Very high10 Ų1044.7 Ų44.75%0.05122%0.216CC..Hα-helixtrans-59.1-56.4177.5-68.4163.8000110V26 R27 E28 L32 N33 Y34 T277 F278 I281 L344V26-I30 HydrophobicContact CG1-CD1 3.95Å; V26-I30 HydrophobicContact CG1-CG1 4.38Å; V26-I30 VanDerWaalsContact O-CG1 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.05Å; R27-I30 PolarHBondContact O-N 3.37Å; E28-I30 VanDerWaalsContact C-N 3.29Å; E28-I30 PolarHBondContact O-N 2.89Å; I30-L32 PolarHBondContact O-N 3.34Å; I30-L32 VanDerWaalsContact O-N 3.16Å; I30-N33 PolarHBondContact O-N 2.69Å; I30-Y34 WeakPolarHBondContact O-CB 3.29Å; I30-Y34 VanDerWaalsContact O-CD1 3.32Å; I30-Y34 WeakPolarHBondContact O-CD1 3.39Å; I30-Y34 PolarHBondContact O-N 3.46Å; I30-T277 HydrophobicContact CG2-CG2 4.13Å; I30-F278 HydrophobicContact CD1-CB 4.11Å; I30-F278 HydrophobicContact CG1-CB 4.17Å; I30-F278 HydrophobicContact CG1-CD2 4.22Å; I30-I281 HydrophobicContact CB-CD1 4.45Å; I30-I281 HydrophobicContact CG1-CD1 4.27Å; I30-L344 HydrophobicContact CG2-CD2 4.37Å
31Q98.4Very high97.5Very high20 Ų2047 Ų479%0.09323%0.229CC..Hα-helixtrans-57.4-34.6-174.5-74.5-62.2-3100113.7R27 E28 R342 D407R27-Q31 WeakPolarHBondContact O-CG 3.35Å; R27-Q31 PolarHBondContact O-N 3.24Å; E28-Q31 PolarHBondContact O-N 3.35Å; Q31-R342 PolarHBondContact O-NH2 2.79Å; Q31-D407 PolarHBondContact NE2-OD2 3.48Å
32L98.4Very high97.7Very high57 Ų5750.3 Ų50.330%0.29825%0.254SS..Hα-helixtrans-77.4-33.2178.3-69.3176.3000113K16 E28 I30K16-L32 HydrophobicContact CB-CB 4.23Å; K16-L32 VanDerWaalsContact CD-O 3.26Å; K16-L32 WeakPolarHBondContact CD-O 3.43Å; K16-L32 WeakPolarHBondContact CE-O 3.19Å; K16-L32 PolarHBondContact NZ-O 2.9Å; E28-L32 HydrophobicContact CG-CD1 3.94Å; E28-L32 HydrophobicContact CG-CG 4.27Å; E28-L32 WeakPolarHBondContact O-CB 3.43Å; E28-L32 WeakPolarHBondContact O-CG 3.29Å; E28-L32 PolarHBondContact O-N 3.02Å; I30-L32 PolarHBondContact O-N 3.34Å; I30-L32 VanDerWaalsContact O-N 3.16Å
33N98.7Very high98.2Very high19 Ų1944.3 Ų44.310%0.10223%0.233CC..Hα-helixtrans-115.4-18.5-162.9-65.4-72000115.9F15 K16 F29 I30 I281F15-N33 WeakPolarHBondContact CA-OD1 3.21Å; K16-N33 PolarHBondContact N-OD1 2.95Å; F29-N33 WeakPolarHBondContact CD2-ND2 3.36Å; F29-N33 HydrophobicContact CE2-CB 4.44Å; F29-N33 WeakPolarHBondContact O-CB 3.32Å; F29-N33 PolarHBondContact O-N 2.88Å; F29-N33 PolarHBondContact O-ND2 2.92Å; I30-N33 PolarHBondContact O-N 2.69Å; N33-I281 HydrophobicContact CB-CD1 4.12Å; N33-I281 HydrophobicContact CB-CG1 4.23Å; N33-I281 HydrophobicContact CB-CG2 3.63Å
34Y98.7Very high98.5Very high10 Ų1040.9 Ų40.94%0.03922%0.218CC..  trans-65.3150.7179.592-79.2000111.9I30 L36 T277 R342 P343 L344 T346I30-Y34 WeakPolarHBondContact O-CB 3.29Å; I30-Y34 VanDerWaalsContact O-CD1 3.32Å; I30-Y34 WeakPolarHBondContact O-CD1 3.39Å; I30-Y34 PolarHBondContact O-N 3.46Å; Y34-L36 HydrophobicContact CE2-CB 4.05Å; Y34-T277 HydrophobicContact CD2-CG2 4.28Å; Y34-T277 HydrophobicContact CG-CG2 4.33Å; Y34-R342 WeakPolarHBondContact OH-CB 3.32Å; Y34-P343 WeakPolarHBondContact CE2-O 3.44Å; Y34-P343 PolarHBondContact OH-O 3.09Å; Y34-L344 HydrophobicContact CD1-CD2 4.01Å; Y34-L344 HydrophobicContact CD2-CD2 4.22Å; Y34-L344 HydrophobicContact CE1-CD2 3.68Å; Y34-L344 HydrophobicContact CE2-CD2 3.92Å; Y34-L344 HydrophobicContact CG-CD2 4.26Å; Y34-T346 HydrophobicContact CD2-CG2 4.07Å
35T98.7Very high98.5Very high54 Ų5440.6 Ų40.633%0.33122%0.218SC..  trans-111109.9175.5-59.60000108.9Y37T35-Y37 PolarHBondContact O-N 2.72Å
36L98.6Very high98.5Very high50 Ų5041.4 Ų41.426%0.26223%0.233SC..  trans-55.4130.5172.3168.461.8000109.8Y34 E38 P343 P376Y34-L36 HydrophobicContact CE2-CB 4.05Å; L36-E38 HydrophobicContact CD1-CG 4.2Å; L36-E38 HydrophobicContact CD2-CG 4.05Å; L36-E38 HydrophobicContact CG-CG 3.94Å; L36-P343 HydrophobicContact CD1-CB 3.73Å; L36-P343 HydrophobicContact CD1-CG 4.14Å; L36-P343 WeakPolarHBondContact CD1-O 3.1Å; L36-P376 HydrophobicContact CD1-CG 4.42Å
37Y98.8Very high98.5Very high43 Ų4344 Ų4417%0.16925%0.249CC..  trans-114.5113175-173.8-107.9000111.1T35 G39 N40 F43 V345 K347 F350T35-Y37 PolarHBondContact O-N 2.72Å; Y37-G39 WeakPolarHBondContact CE1-O 3.43Å; Y37-G39 VanDerWaalsContact CZ-CA 3.44Å; Y37-N40 PolarHBondContact OH-N 3.45Å; Y37-N40 PolarHBondContact OH-O 2.74Å; Y37-F43 HydrophobicContact CD1-CE1 4.37Å; Y37-F43 AromaticContact CE1-CD1 3.96Å; Y37-F43 HydrophobicContact CE1-CD1 3.96Å; Y37-F43 AromaticContact CE1-CE1 3.55Å; Y37-F43 HydrophobicContact CE1-CE1 3.55Å; Y37-F43 HydrophobicContact CE1-CZ 4.47Å; Y37-F43 AromaticContact CZ-CD1 3.7Å; Y37-F43 AromaticContact CZ-CE1 3.76Å; Y37-F43 VanDerWaalsContact OH-CD1 3.22Å; Y37-F43 WeakPolarHBondContact OH-CD1 3.34Å; Y37-V345 PolarHBondContact N-O 3.18Å; Y37-K347 HydrophobicContact CD1-CG 4.16Å; Y37-K347 HydrophobicContact CD2-CD 4.47Å; Y37-K347 HydrophobicContact CD2-CG 3.67Å; Y37-K347 HydrophobicContact CE1-CG 4.41Å; Y37-K347 HydrophobicContact CE2-CG 3.94Å; Y37-K347 HydrophobicContact CG-CG 3.78Å; Y37-F350 AromaticContact CD1-CD2 3.92Å; Y37-F350 HydrophobicContact CD1-CD2 3.92Å; Y37-F350 AromaticContact CD1-CE2 3.61Å; Y37-F350 HydrophobicContact CD1-CE2 3.61Å; Y37-F350 HydrophobicContact CD1-CZ 4.38Å; Y37-F350 HydrophobicContact CE1-CD2 4.15Å; Y37-F350 AromaticContact CE1-CE2 3.87Å; Y37-F350 HydrophobicContact CE1-CE2 3.87Å; Y37-F350 HydrophobicContact CE1-CZ 4.27Å
38E98.4Very high98.5Very high134 Ų13441.8 Ų41.863%0.62624%0.244SC*.  trans-102.8-0.9177.4-61.7178103.300112.7L36 P376 N378L36-E38 HydrophobicContact CD1-CG 4.2Å; L36-E38 HydrophobicContact CD2-CG 4.05Å; L36-E38 HydrophobicContact CG-CG 3.94Å; E38-P376 HydrophobicContact CG-CG 4.28Å; E38-N378 PolarHBondContact O-ND2 3.44Å
39G98.5Very high98.6Very high25 Ų2546.9 Ų46.926%0.25827%0.267SS..SBendtrans-71.6-174176.900000113.3Y37 N378Y37-G39 WeakPolarHBondContact CE1-O 3.43Å; Y37-G39 VanDerWaalsContact CZ-CA 3.44Å; G39-N378 WeakPolarHBondContact O-CB 2.96Å
40N98Very high98.6Very high64 Ų6447.7 Ų47.734%0.34228%0.275SS..  trans-108-172.2-17865.718000112.3Y37 S42 F43 N378Y37-N40 PolarHBondContact OH-N 3.45Å; Y37-N40 PolarHBondContact OH-O 2.74Å; N40-S42 PolarHBondContact O-N 2.88Å; N40-S42 WeakPolarHBondContact OD1-CB 3.5Å; N40-S42 PolarHBondContact OD1-N 2.86Å; N40-S42 VanDerWaalsContact OD1-N 3.12Å; N40-S42 PolarHBondContact OD1-OG 2.85Å; N40-F43 VanDerWaalsContact O-CD1 3.26Å; N40-F43 WeakPolarHBondContact O-CD1 3.41Å; N40-N378 HydrophobicContact CB-CB 4.17Å
41D98.1Very high98.6Very high48 Ų4847.2 Ų47.226%0.25727%0.272SS..G310 helixtrans-77.54.5-176.759.7-40.5000114.9F43 L44 F350 Y382 K385D41-F43 PolarHBondContact O-N 3.24Å; D41-L44 HydrophobicContact CB-CD1 3.72Å; D41-L44 WeakPolarHBondContact O-CB 3.41Å; D41-L44 WeakPolarHBondContact O-CG 3.41Å; D41-L44 PolarHBondContact O-N 2.82Å; D41-F350 HydrophobicContact CB-CD1 4.02Å; D41-F350 HydrophobicContact CB-CE1 4.24Å; D41-Y382 HydrophobicContact CB-CD2 3.4Å; D41-Y382 HydrophobicContact CB-CE2 3.4Å; D41-Y382 VanDerWaalsContact CB-CE2 3.4Å; D41-Y382 HydrophobicContact CB-CG 4.11Å; D41-Y382 WeakPolarHBondContact OD2-CD2 3.29Å; D41-Y382 VanDerWaalsContact OD2-CE2 3.32Å; D41-Y382 WeakPolarHBondContact OD2-CE2 3.4Å; D41-K385 IonicContact OD2-NZ 2.81Å; D41-K385 PolarHBondContact OD2-NZ 3.24Å
42S98.4Very high98.6Very high100 Ų10049 Ų4970%0.69929%0.287SS*.G310 helixtrans-68.4-15.4-175.163.10000115.4N40N40-S42 PolarHBondContact O-N 2.88Å; N40-S42 WeakPolarHBondContact OD1-CB 3.5Å; N40-S42 PolarHBondContact OD1-N 2.86Å; N40-S42 VanDerWaalsContact OD1-N 3.12Å; N40-S42 PolarHBondContact OD1-OG 2.85Å
43F98.6Very high98.6Very high39 Ų3951 Ų5117%0.17129%0.293CS..G310 helixtrans-85.6-14.2179.377.5-83.5000113.3Y37 N40 D41 E294 K347 F350 R351Y37-F43 HydrophobicContact CD1-CE1 4.37Å; Y37-F43 AromaticContact CE1-CD1 3.96Å; Y37-F43 HydrophobicContact CE1-CD1 3.96Å; Y37-F43 AromaticContact CE1-CE1 3.55Å; Y37-F43 HydrophobicContact CE1-CE1 3.55Å; Y37-F43 HydrophobicContact CE1-CZ 4.47Å; Y37-F43 AromaticContact CZ-CD1 3.7Å; Y37-F43 AromaticContact CZ-CE1 3.76Å; Y37-F43 VanDerWaalsContact OH-CD1 3.22Å; Y37-F43 WeakPolarHBondContact OH-CD1 3.34Å; N40-F43 VanDerWaalsContact O-CD1 3.26Å; N40-F43 WeakPolarHBondContact O-CD1 3.41Å; D41-F43 PolarHBondContact O-N 3.24Å; F43-E294 HydrophobicContact CD2-CG 4.2Å; F43-E294 WeakPolarHBondContact CD2-OE1 3.46Å; F43-E294 VanDerWaalsContact CE2-OE1 3.27Å; F43-E294 WeakPolarHBondContact CE2-OE1 3.34Å; F43-E294 VanDerWaalsContact O-CG 3.3Å; F43-E294 WeakPolarHBondContact O-CG 3.36Å; F43-K347 HydrophobicContact CD2-CD 4.13Å; F43-K347 HydrophobicContact CD2-CG 4.4Å; F43-K347 HydrophobicContact CE1-CB 4.47Å; F43-K347 HydrophobicContact CE1-CG 4.17Å; F43-K347 HydrophobicContact CE2-CB 3.71Å; F43-K347 HydrophobicContact CE2-CD 3.92Å; F43-K347 HydrophobicContact CE2-CG 3.83Å; F43-K347 HydrophobicContact CZ-CB 3.58Å; F43-K347 HydrophobicContact CZ-CD 4.29Å; F43-K347 HydrophobicContact CZ-CG 3.69Å; F43-F350 HydrophobicContact CE1-CB 4.04Å; F43-F350 HydrophobicContact CE1-CD2 4.45Å; F43-F350 HydrophobicContact CE1-CG 4.15Å; F43-F350 HydrophobicContact CZ-CB 3.86Å; F43-F350 HydrophobicContact CZ-CG 4.41Å; F43-R351 HydrophobicContact CE2-CG 4.23Å
44L98.8Very high98.6Very high30 Ų3050.2 Ų50.216%0.15729%0.289CS..  trans-64140.4-172.6-68170.5000111.9D41 F350 R351 H354 Y382D41-L44 HydrophobicContact CB-CD1 3.72Å; D41-L44 WeakPolarHBondContact O-CB 3.41Å; D41-L44 WeakPolarHBondContact O-CG 3.41Å; D41-L44 PolarHBondContact O-N 2.82Å; L44-F350 HydrophobicContact CD1-CB 4.35Å; L44-F350 HydrophobicContact CD2-CB 3.96Å; L44-F350 HydrophobicContact CG-CB 4.49Å; L44-R351 HydrophobicContact CD2-CG 4.05Å; L44-H354 HydrophobicContact CD1-CB 3.93Å; L44-H354 HydrophobicContact CD2-CB 3.96Å; L44-H354 HydrophobicContact CG-CB 4.47Å; L44-Y382 HydrophobicContact CD1-CE1 4.27Å; L44-Y382 HydrophobicContact CD1-CE2 4.17Å; L44-Y382 VanDerWaalsContact CD1-OH 3.27Å; L44-Y382 WeakPolarHBondContact CD1-OH 3.28Å
45A98.7Very high98.6Very high18 Ų1851.1 Ų51.115%0.14929%0.292CS..  trans-101.5142.5177.400000111.3E294 Q298 H354 N358A45-E294 HydrophobicContact CB-CG 4.41Å; A45-Q298 HydrophobicContact CB-CB 4.27Å; A45-Q298 WeakPolarHBondContact O-CG 3.41Å; A45-H354 PolarHBondContact O-CD2 3.01Å; A45-H354 PolarHBondContact O-NE2 3.49Å; A45-H354 VanDerWaalsContact O-NE2 3.16Å; A45-N358 PolarHBondContact O-ND2 3.32Å; A45-N358 VanDerWaalsContact O-ND2 3.14Å
46G98.6Very high98.5Very high43 Ų4355.3 Ų55.344%0.44331%0.308SS..  trans-69.4175.6172.100000112.9
47P98.4Very high98.5Very high57 Ų5756.4 Ų56.437%0.3731%0.312SS..  trans-68.6146.2-17829.9-33.5000111.1T51 N358P47-T51 HydrophobicContact CB-CG2 3.93Å; P47-N358 HydrophobicContact CB-CB 4.09Å; P47-N358 WeakPolarHBondContact CD-OD1 3.25Å; P47-N358 HydrophobicContact CG-CB 4.47Å
48T98.7Very high98.5Very high25 Ų2554.4 Ų54.415%0.15330%0.304CS..  trans-75.2170.3169.268.10000110.9A50 T51 S52 E299T48-A50 VanDerWaalsContact C-N 3.31Å; T48-A50 PolarHBondContact O-N 2.77Å; T48-T51 PolarHBondContact O-N 2.93Å; T48-T51 PolarHBondContact OG1-N 2.79Å; T48-T51 VanDerWaalsContact OG1-N 3.13Å; T48-T51 PolarHBondContact OG1-OG1 2.84Å; T48-T51 VanDerWaalsContact OG1-OG1 3.12Å; T48-S52 WeakPolarHBondContact O-CB 3.41Å; T48-S52 PolarHBondContact O-N 3.49Å; T48-S52 PolarHBondContact O-OG 2.97Å; T48-E299 VanDerWaalsContact CB-OE1 3.3Å; T48-E299 WeakPolarHBondContact CB-OE1 3.43Å; T48-E299 HydrophobicContact CG2-CB 3.82Å; T48-E299 HydrophobicContact CG2-CG 4.05Å; T48-E299 WeakPolarHBondContact CG2-OE1 3.43Å; T48-E299 PolarHBondContact OG1-OE1 2.95Å
49E98.6Very high98.4Very high138 Ų13850.1 Ų50.165%0.64528%0.284SS*.Hα-helixtrans-63.4-38.3173.7-168.3-174.8158.400111.7S52 K53E49-S52 PolarHBondContact O-N 2.73Å; E49-K53 HydrophobicContact CG-CD 4.29Å; E49-K53 WeakPolarHBondContact O-CG 3.49Å; E49-K53 PolarHBondContact O-N 3Å; E49-K53 VanDerWaalsContact OE1-CE 3.27Å; E49-K53 WeakPolarHBondContact OE1-CE 3.39Å; E49-K53 IonicContact OE1-NZ 3.86Å; E49-K53 PolarHBondContact OE1-NZ 3.18Å
50A98.7Very high98.3Very high18 Ų1853 Ų5315%0.14929%0.291CS..Hα-helixtrans-64-47.7176.200000111.2T48 S52 K53 L54 L94T48-A50 VanDerWaalsContact C-N 3.31Å; T48-A50 PolarHBondContact O-N 2.77Å; A50-S52 VanDerWaalsContact C-N 3.29Å; A50-S52 PolarHBondContact O-N 3.3Å; A50-K53 PolarHBondContact O-N 3.1Å; A50-L54 WeakPolarHBondContact O-CB 3.37Å; A50-L54 WeakPolarHBondContact O-CG 3.29Å; A50-L54 PolarHBondContact O-N 3.07Å; A50-L94 HydrophobicContact CB-CB 4.25Å; A50-L94 HydrophobicContact CB-CD2 4.26Å
51T98.8Very high98.2Very high0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-54.8-47174.2-63.40000111.2P47 T48 L54 W55 D302 H303 M306 L359P47-T51 HydrophobicContact CB-CG2 3.93Å; T48-T51 PolarHBondContact O-N 2.93Å; T48-T51 PolarHBondContact OG1-N 2.79Å; T48-T51 VanDerWaalsContact OG1-N 3.13Å; T48-T51 PolarHBondContact OG1-OG1 2.84Å; T48-T51 VanDerWaalsContact OG1-OG1 3.12Å; T51-L54 PolarHBondContact O-N 3.35Å; T51-W55 VanDerWaalsContact O-CB 3.29Å; T51-W55 WeakPolarHBondContact O-CB 3.44Å; T51-W55 PolarHBondContact O-N 2.95Å; T51-D302 HydrophobicContact CG2-CB 3.78Å; T51-H303 WeakPolarHBondContact CA-NE2 3.31Å; T51-H303 PolarHBondContact OG1-NE2 2.78Å; T51-M306 HydrophobicContact CG2-CE 4.42Å; T51-L359 HydrophobicContact CG2-CD2 3.49Å; T51-L359 VanDerWaalsContact CG2-CD2 3.49Å
52S98.7Very high98Very high58 Ų5850 Ų5041%0.40628%0.278SS..Hα-helixtrans-63.8-44.5-177.7-58.10000112T48 E49 A50 W55 E56T48-S52 WeakPolarHBondContact O-CB 3.41Å; T48-S52 PolarHBondContact O-N 3.49Å; T48-S52 PolarHBondContact O-OG 2.97Å; E49-S52 PolarHBondContact O-N 2.73Å; A50-S52 VanDerWaalsContact C-N 3.29Å; A50-S52 PolarHBondContact O-N 3.3Å; S52-W55 PolarHBondContact O-N 3.46Å; S52-E56 WeakPolarHBondContact O-CB 3.5Å; S52-E56 PolarHBondContact O-N 3.26Å
53K98.7Very high97.8Very high99 Ų9949.8 Ų49.843%0.4326%0.264SS..Hα-helixtrans-64.9-45.7177.7-77.3172.2169.7169.10112.6E49 A50 W55 E56 Q57 L94E49-K53 HydrophobicContact CG-CD 4.29Å; E49-K53 WeakPolarHBondContact O-CG 3.49Å; E49-K53 PolarHBondContact O-N 3Å; E49-K53 VanDerWaalsContact OE1-CE 3.27Å; E49-K53 WeakPolarHBondContact OE1-CE 3.39Å; E49-K53 IonicContact OE1-NZ 3.86Å; E49-K53 PolarHBondContact OE1-NZ 3.18Å; A50-K53 PolarHBondContact O-N 3.1Å; K53-W55 VanDerWaalsContact C-N 3.32Å; K53-W55 PolarHBondContact O-N 3.29Å; K53-E56 PolarHBondContact O-N 3.04Å; K53-Q57 PolarHBondContact O-N 2.95Å; K53-Q57 VanDerWaalsContact O-N 3.11Å; K53-L94 HydrophobicContact CB-CD1 4.07Å; K53-L94 HydrophobicContact CD-CD1 4.27Å
54L98.8Very high97.7Very high1 Ų150.2 Ų50.21%0.00527%0.266CS..Hα-helixtrans-63.9-40.4177.5-74.2168.9000111.1A50 T51 Q57 V58 L90 D91 L94 E95 H303 M306A50-L54 WeakPolarHBondContact O-CB 3.37Å; A50-L54 WeakPolarHBondContact O-CG 3.29Å; A50-L54 PolarHBondContact O-N 3.07Å; T51-L54 PolarHBondContact O-N 3.35Å; L54-Q57 WeakPolarHBondContact O-CB 3.34Å; L54-Q57 PolarHBondContact O-N 2.99Å; L54-V58 WeakPolarHBondContact O-CG2 3.5Å; L54-V58 PolarHBondContact O-N 3.06Å; L54-L90 HydrophobicContact CD2-CB 3.69Å; L54-L90 HydrophobicContact CD2-CD1 4.44Å; L54-D91 HydrophobicContact CD2-CB 3.81Å; L54-L94 HydrophobicContact CD1-CB 3.87Å; L54-L94 HydrophobicContact CD2-CB 4.15Å; L54-L94 HydrophobicContact CG-CB 3.96Å; L54-L94 HydrophobicContact CG-CD1 4.37Å; L54-E95 HydrophobicContact CD1-CG 3.96Å; L54-E95 HydrophobicContact CD2-CG 3.96Å; L54-H303 WeakPolarHBondContact CD1-NE2 3.37Å; L54-M306 HydrophobicContact CB-CE 3.77Å; L54-M306 HydrophobicContact CB-SD 3.63Å
55W98.3Very high97.4Very high30 Ų3049.1 Ų49.111%0.11426%0.26CS..Hα-helixtrans-67.5-38.5177.4-168.3-116000112.4T51 S52 K53 Q57 V58 M59 M306 R309 L359T51-W55 VanDerWaalsContact O-CB 3.29Å; T51-W55 WeakPolarHBondContact O-CB 3.44Å; T51-W55 PolarHBondContact O-N 2.95Å; S52-W55 PolarHBondContact O-N 3.46Å; K53-W55 VanDerWaalsContact C-N 3.32Å; K53-W55 PolarHBondContact O-N 3.29Å; W55-Q57 VanDerWaalsContact C-N 3.29Å; W55-Q57 PolarHBondContact O-N 2.98Å; W55-V58 HydrophobicContact CE3-CB 3.95Å; W55-V58 HydrophobicContact CE3-CG1 3.98Å; W55-V58 HydrophobicContact CE3-CG2 4.33Å; W55-V58 HydrophobicContact CH2-CG1 4.01Å; W55-V58 HydrophobicContact CZ3-CB 4.06Å; W55-V58 HydrophobicContact CZ3-CG1 3.56Å; W55-V58 HydrophobicContact CZ3-CG2 4.5Å; W55-V58 PolarHBondContact O-N 3.38Å; W55-V58 VanDerWaalsContact O-N 3.16Å; W55-M59 HydrophobicContact CZ2-CG 4.43Å; W55-M59 HydrophobicContact CZ2-SD 3.83Å; W55-M59 WeakPolarHBondContact O-CG 3.26Å; W55-M59 PolarHBondContact O-N 3.45Å; W55-M306 HydrophobicContact CB-CE 3.99Å; W55-M306 HydrophobicContact CE3-CE 4.1Å; W55-M306 HydrophobicContact CE3-CG 3.86Å; W55-M306 HydrophobicContact CE3-SD 4.38Å; W55-M306 HydrophobicContact CZ3-CG 4.06Å; W55-R309 HydrophobicContact CH2-CB 4.37Å; W55-R309 VanDerWaalsContact CH2-CD 3.41Å; W55-R309 HydrophobicContact CH2-CG 4.48Å; W55-R309 HydrophobicContact CZ3-CB 4.32Å; W55-L359 HydrophobicContact CB-CD2 4.05Å; W55-L359 HydrophobicContact CD2-CB 4.03Å; W55-L359 HydrophobicContact CD2-CD2 4.02Å; W55-L359 HydrophobicContact CE3-CB 4.36Å; W55-L359 HydrophobicContact CE3-CD2 4.18Å; W55-L359 HydrophobicContact CG-CB 4.44Å; W55-L359 HydrophobicContact CG-CD2 3.95Å; W55-L359 HydrophobicContact CZ2-CB 4.34Å; W55-L359 VanDerWaalsContact CZ2-O 3.23Å; W55-L359 WeakPolarHBondContact CZ2-O 3.47Å; W55-L359 PolarHBondContact NE1-O 3.38Å
56E98.1Very high96.9Very high142 Ų14252.9 Ų52.966%0.66427%0.271SS*.Hα-helixtrans-57.7-43.1172.4-174.1177.6-171.200111.4S52 K53 V58 M59 Q60S52-E56 WeakPolarHBondContact O-CB 3.5Å; S52-E56 PolarHBondContact O-N 3.26Å; K53-E56 PolarHBondContact O-N 3.04Å; E56-V58 PolarHBondContact O-N 3.24Å; E56-M59 PolarHBondContact O-N 3.42Å; E56-Q60 WeakPolarHBondContact O-CB 3.34Å; E56-Q60 PolarHBondContact O-N 3.49Å
57Q98Very high96.6Very high72 Ų7257.1 Ų57.134%0.33628%0.279SS..Hα-helixtrans-61.9-43.4174.6-170.5-176.210.600112.1K53 L54 W55 M59 Q60 L61 L90K53-Q57 PolarHBondContact O-N 2.95Å; K53-Q57 VanDerWaalsContact O-N 3.11Å; L54-Q57 WeakPolarHBondContact O-CB 3.34Å; L54-Q57 PolarHBondContact O-N 2.99Å; W55-Q57 VanDerWaalsContact C-N 3.29Å; W55-Q57 PolarHBondContact O-N 2.98Å; Q57-M59 VanDerWaalsContact C-N 3.32Å; Q57-M59 PolarHBondContact O-N 3.48Å; Q57-Q60 PolarHBondContact O-N 2.79Å; Q57-L61 HydrophobicContact CG-CD1 4.47Å; Q57-L61 WeakPolarHBondContact O-CG 3.45Å; Q57-L61 PolarHBondContact O-N 3.09Å; Q57-L90 HydrophobicContact CG-CD2 4.37Å; Q57-L90 PolarHBondContact NE2-O 2.78Å; Q57-L90 PolarHBondContact OE1-O 3.08Å
58V97.9Very high96.2Very high2 Ų261 Ų611%0.01229%0.286CS..Hα-helixtrans-62-40.8175.8171.90000111.5L54 W55 E56 L61 S62 L90 F106 M306 I310L54-V58 WeakPolarHBondContact O-CG2 3.5Å; L54-V58 PolarHBondContact O-N 3.06Å; W55-V58 HydrophobicContact CE3-CB 3.95Å; W55-V58 HydrophobicContact CE3-CG1 3.98Å; W55-V58 HydrophobicContact CE3-CG2 4.33Å; W55-V58 HydrophobicContact CH2-CG1 4.01Å; W55-V58 HydrophobicContact CZ3-CB 4.06Å; W55-V58 HydrophobicContact CZ3-CG1 3.56Å; W55-V58 HydrophobicContact CZ3-CG2 4.5Å; W55-V58 PolarHBondContact O-N 3.38Å; W55-V58 VanDerWaalsContact O-N 3.16Å; E56-V58 PolarHBondContact O-N 3.24Å; V58-L61 PolarHBondContact O-N 3.44Å; V58-S62 WeakPolarHBondContact O-CB 3.36Å; V58-S62 PolarHBondContact O-N 3.36Å; V58-S62 PolarHBondContact O-OG 3.37Å; V58-L90 HydrophobicContact CG2-CD1 3.63Å; V58-L90 HydrophobicContact CG2-CD2 3.87Å; V58-L90 HydrophobicContact CG2-CG 4.44Å; V58-F106 HydrophobicContact CG1-CE2 4.2Å; V58-F106 HydrophobicContact CG1-CZ 4.19Å; V58-M306 HydrophobicContact CG2-CG 4.02Å; V58-M306 HydrophobicContact CG2-SD 4.07Å; V58-I310 HydrophobicContact CG1-CG2 3.79Å; V58-I310 HydrophobicContact CG2-CG2 4.11Å
59M96.2Very high95.7Very high43 Ų4362.5 Ų62.521%0.21231%0.307CS..Hα-helixtrans-66.9-38.5177.6-71.8-55.1-63.100112.1W55 E56 Q57 S62 K63 P716 Q717W55-M59 HydrophobicContact CZ2-CG 4.43Å; W55-M59 HydrophobicContact CZ2-SD 3.83Å; W55-M59 WeakPolarHBondContact O-CG 3.26Å; W55-M59 PolarHBondContact O-N 3.45Å; E56-M59 PolarHBondContact O-N 3.42Å; Q57-M59 VanDerWaalsContact C-N 3.32Å; Q57-M59 PolarHBondContact O-N 3.48Å; M59-S62 PolarHBondContact O-N 2.99Å; M59-K63 PolarHBondContact O-N 3.35Å; M59-P716 HydrophobicContact CE-CB 3.92Å; M59-P716 HydrophobicContact CE-CG 4.27Å; M59-Q717 HydrophobicContact CE-CG 3.56Å; M59-Q717 HydrophobicContact SD-CG 3.96Å; M59-Q717 PolarHBondContact SD-OE1 3.25Å; M59-Q717 VanDerWaalsContact SD-OE1 3.41Å
60Q96.8Very high95.1Very high87 Ų8757.1 Ų57.141%0.40729%0.289SS..Hα-helixtrans-64.1-46.8173.6179.654.635.100111.6E56 Q57 S62 K63 E64E56-Q60 WeakPolarHBondContact O-CB 3.34Å; E56-Q60 PolarHBondContact O-N 3.49Å; Q57-Q60 PolarHBondContact O-N 2.79Å; Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 3.34Å; Q60-K63 WeakPolarHBondContact O-CB 2.99Å; Q60-K63 PolarHBondContact O-N 2.89Å; Q60-K63 VanDerWaalsContact O-N 3.15Å; Q60-E64 PolarHBondContact NE2-OE1 3.23Å; Q60-E64 WeakPolarHBondContact O-CG 3.47Å; Q60-E64 PolarHBondContact O-N 3.47Å
61L96.9Very high94.8Very high21 Ų2156.5 Ų56.511%0.1128%0.283CS..Hα-helixtrans-61.4-37.7175.2-69.8172.3000112.3Q57 V58 K63 E64 E65 W72 L90 P105 F106Q57-L61 HydrophobicContact CG-CD1 4.47Å; Q57-L61 WeakPolarHBondContact O-CG 3.45Å; Q57-L61 PolarHBondContact O-N 3.09Å; V58-L61 PolarHBondContact O-N 3.44Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-E64 PolarHBondContact O-N 3.39Å; L61-E65 WeakPolarHBondContact O-CB 3.39Å; L61-E65 PolarHBondContact O-N 3.15Å; L61-W72 HydrophobicContact CD2-CZ2 3.99Å; L61-L90 HydrophobicContact CD1-CD2 3.98Å; L61-P105 HydrophobicContact CD1-CB 4.13Å; L61-F106 HydrophobicContact CB-CD1 4.14Å; L61-F106 HydrophobicContact CB-CD2 3.88Å; L61-F106 HydrophobicContact CB-CE1 4.15Å; L61-F106 HydrophobicContact CB-CE2 3.87Å; L61-F106 HydrophobicContact CB-CG 4.04Å; L61-F106 HydrophobicContact CB-CZ 4.03Å; L61-F106 HydrophobicContact CD1-CD2 3.84Å; L61-F106 HydrophobicContact CD1-CE2 4.17Å; L61-F106 HydrophobicContact CG-CD2 4.49Å
62S94.1Very high94.6Very high28 Ų2858.3 Ų58.320%0.19629%0.29CS..Hα-helixtrans-65.6-37.2175.5-60.10000112.5V58 M59 Q60 R66 F106V58-S62 WeakPolarHBondContact O-CB 3.36Å; V58-S62 PolarHBondContact O-N 3.36Å; V58-S62 PolarHBondContact O-OG 3.37Å; M59-S62 PolarHBondContact O-N 2.99Å; Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 3.34Å; S62-R66 PolarHBondContact O-N 3.38Å; S62-F106 VanDerWaalsContact OG-CZ 3.3Å; S62-F106 WeakPolarHBondContact OG-CZ 3.24Å
63K93.8Very high94.4Very high94 Ų9457.2 Ų57.241%0.40928%0.279SS..Hα-helixtrans-65.7-47.1173.5179.5179.9171.7-1790110.9M59 Q60 L61 E65 R66 E67M59-K63 PolarHBondContact O-N 3.35Å; Q60-K63 WeakPolarHBondContact O-CB 2.99Å; Q60-K63 PolarHBondContact O-N 2.89Å; Q60-K63 VanDerWaalsContact O-N 3.15Å; L61-K63 VanDerWaalsContact C-N 3.34Å; K63-E65 PolarHBondContact O-N 3.45Å; K63-R66 WeakPolarHBondContact O-CB 3.31Å; K63-R66 PolarHBondContact O-N 3.33Å; K63-E67 WeakPolarHBondContact CE-OE1 3.39Å; K63-E67 WeakPolarHBondContact O-CG 3.38Å; K63-E67 PolarHBondContact O-N 3.42Å
64E95.3Very high94.2Very high49 Ų4952.8 Ų52.823%0.22926%0.26CS..Hα-helixtrans-61.2-42.1176.5-71.4173-161.400112.4Q60 L61 R66 E67 R68 W72Q60-E64 PolarHBondContact NE2-OE1 3.23Å; Q60-E64 WeakPolarHBondContact O-CG 3.47Å; Q60-E64 PolarHBondContact O-N 3.47Å; L61-E64 PolarHBondContact O-N 3.39Å; E64-R66 VanDerWaalsContact C-N 3.28Å; E64-R66 PolarHBondContact O-N 2.94Å; E64-E67 PolarHBondContact O-N 3.14Å; E64-R68 WeakPolarHBondContact O-CB 3.35Å; E64-R68 VanDerWaalsContact O-CG 3.25Å; E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 PolarHBondContact O-N 3.45Å; E64-R68 IonicContact OE2-NH2 3.86Å; E64-W72 PolarHBondContact OE2-NE1 3.23Å
65E93.3Very high94.1Very high6 Ų653.4 Ų53.43%0.02826%0.263CS..Hα-helixtrans-56-45.4175.2-179179.4-130.900110.8L61 K63 R68 G69 G70 W72 F106 R108 K312L61-E65 WeakPolarHBondContact O-CB 3.39Å; L61-E65 PolarHBondContact O-N 3.15Å; K63-E65 PolarHBondContact O-N 3.45Å; E65-R68 PolarHBondContact O-N 3.05Å; E65-G69 PolarHBondContact O-N 3.34Å; E65-G70 WeakPolarHBondContact O-CA 3.29Å; E65-G70 PolarHBondContact O-N 3.45Å; E65-W72 HydrophobicContact CB-CB 4.12Å; E65-W72 HydrophobicContact CG-CB 4.35Å; E65-F106 HydrophobicContact CB-CD1 4.26Å; E65-F106 HydrophobicContact CB-CE1 4.49Å; E65-R108 IonicContact OE1-CZ 3.23Å; E65-R108 IonicContact OE1-NE 3.46Å; E65-R108 IonicContact OE1-NH2 3.48Å; E65-R108 PolarHBondContact OE1-NH2 3.44Å; E65-K312 WeakPolarHBondContact OE1-CE 3.37Å; E65-K312 IonicContact OE1-NZ 2.81Å; E65-K312 PolarHBondContact OE1-NZ 3.3Å; E65-K312 IonicContact OE2-NZ 2.79Å; E65-K312 PolarHBondContact OE2-NZ 2.92Å
66R89.2Confident94Very high97 Ų9753.9 Ų53.937%0.36627%0.27SS..Hα-helixtrans-65.3-45.5177.6176.6174.549.8-109.8-1.5111.9S62 K63 E64 R68 G69S62-R66 PolarHBondContact O-N 3.38Å; K63-R66 WeakPolarHBondContact O-CB 3.31Å; K63-R66 PolarHBondContact O-N 3.33Å; E64-R66 VanDerWaalsContact C-N 3.28Å; E64-R66 PolarHBondContact O-N 2.94Å; R66-R68 PolarHBondContact O-N 2.95Å; R66-G69 PolarHBondContact O-N 3.39Å
67E91.1Very high93.9Very high132 Ų13252.7 Ų52.762%0.61726%0.262SS*.Hα-helixtrans-62.8-27.4178.1-71.8173176.700112.5K63 E64 G69K63-E67 WeakPolarHBondContact CE-OE1 3.39Å; K63-E67 WeakPolarHBondContact O-CG 3.38Å; K63-E67 PolarHBondContact O-N 3.42Å; E64-E67 PolarHBondContact O-N 3.14Å; E67-G69 VanDerWaalsContact C-N 3.32Å
68R91.3Very high93.8Very high138 Ų13851.9 Ų51.952%0.52126%0.262SS..THydrogen-bonded Turntrans-85.15.3174.3-67.9175.6-172.9-166.26.6114.5E64 E65 R66 M71 W72E64-R68 WeakPolarHBondContact O-CB 3.35Å; E64-R68 VanDerWaalsContact O-CG 3.25Å; E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 PolarHBondContact O-N 3.45Å; E64-R68 IonicContact OE2-NH2 3.86Å; E65-R68 PolarHBondContact O-N 3.05Å; R66-R68 PolarHBondContact O-N 2.95Å; R68-M71 WeakPolarHBondContact CB-O 3.35Å; R68-W72 PolarHBondContact NH1-O 3.1Å
69G87Confident93.8Very high57 Ų5753.1 Ų53.159%0.58827%0.273SS*.THydrogen-bonded Turntrans85.823179.700000114.7E65 R66 E67E65-G69 PolarHBondContact O-N 3.34Å; R66-G69 PolarHBondContact O-N 3.39Å; E67-G69 VanDerWaalsContact C-N 3.32Å
70G87Confident93.9Very high26 Ų2651.1 Ų51.127%0.26826%0.263SS..SBendtrans98.34171.500000115.5E65 R108E65-G70 WeakPolarHBondContact O-CA 3.29Å; E65-G70 PolarHBondContact O-N 3.45Å; G70-R108 PolarHBondContact O-NH2 3.36Å
71M91.1Very high94Very high4 Ų449 Ų492%0.0226%0.256CS..  trans-131.6119.5174.9-174.968.669.900109.5R68 M74 R108 Y126 Y128R68-M71 WeakPolarHBondContact CB-O 3.35Å; M71-M74 HydrophobicContact CE-SD 4.25Å; M71-M74 HydrophobicContact CG-CB 4.44Å; M71-M74 HydrophobicContact SD-CB 4.18Å; M71-R108 HydrophobicContact CE-CG 4.41Å; M71-R108 HydrophobicContact SD-CB 4.15Å; M71-R108 WeakPolarHBondContact SD-CD 3.32Å; M71-R108 HydrophobicContact SD-CG 3.57Å; M71-R108 VanDerWaalsContact SD-CG 3.57Å; M71-R108 PolarHBondContact SD-NE 3.05Å; M71-Y126 HydrophobicContact CB-CD1 3.55Å; M71-Y126 HydrophobicContact CB-CD2 4.42Å; M71-Y126 HydrophobicContact CB-CE1 4.11Å; M71-Y126 HydrophobicContact CB-CG 3.73Å; M71-Y126 HydrophobicContact CE-CD1 4.38Å; M71-Y126 HydrophobicContact CE-CD2 3.3Å; M71-Y126 HydrophobicContact CE-CE2 3.51Å; M71-Y126 HydrophobicContact CE-CG 3.8Å; M71-Y126 HydrophobicContact CG-CD1 4.47Å; M71-Y126 HydrophobicContact CG-CG 4.17Å; M71-Y128 HydrophobicContact CG-CE2 3.99Å
72W94.4Very high94.1Very high38 Ų3848 Ų4814%0.14425%0.251CS..SBendtrans-78.6-51177.9-169.890000111.6L61 E64 E65 R68 K104 F106L61-W72 HydrophobicContact CD2-CZ2 3.99Å; E64-W72 PolarHBondContact OE2-NE1 3.23Å; E65-W72 HydrophobicContact CB-CB 4.12Å; E65-W72 HydrophobicContact CG-CB 4.35Å; R68-W72 PolarHBondContact NH1-O 3.1Å; W72-K104 HydrophobicContact CH2-CD 4.44Å; W72-K104 HydrophobicContact CZ3-CD 4.28Å; W72-F106 HydrophobicContact CB-CB 3.87Å; W72-F106 HydrophobicContact CB-CD1 4.4Å; W72-F106 HydrophobicContact CD2-CB 4.16Å; W72-F106 HydrophobicContact CE3-CB 4.24Å; W72-F106 HydrophobicContact CG-CB 3.99Å
73D95.8Very high94.3Very high35 Ų3548.4 Ų48.419%0.18725%0.252CS..EExtended strand (participates in β ladder)trans-159.2159176.1-168.610.4000109.4K107 R108D73-K107 HydrophobicContact CB-CB 3.95Å; D73-K107 HydrophobicContact CB-CG 3.95Å; D73-K107 WeakPolarHBondContact O-CA 3.42Å; D73-R108 PolarHBondContact O-N 3.13Å
74M94.2Very high94.5Very high7 Ų745.8 Ų45.83%0.03425%0.246CC..EExtended strand (participates in β ladder)trans-147134.8-178.4-178169.5178.500111.8M71 R108 M110 C123 Y128 A314M71-M74 HydrophobicContact CE-SD 4.25Å; M71-M74 HydrophobicContact CG-CB 4.44Å; M71-M74 HydrophobicContact SD-CB 4.18Å; M74-R108 WeakPolarHBondContact CA-O 3.48Å; M74-M110 HydrophobicContact CE-CE 3.79Å; M74-C123 HydrophobicContact CE-CB 4.5Å; M74-C123 WeakPolarHBondContact CE-SG 3.3Å; M74-Y128 HydrophobicContact CB-CD1 4.42Å; M74-Y128 HydrophobicContact CB-CD2 4.3Å; M74-Y128 HydrophobicContact CB-CE1 4.38Å; M74-Y128 HydrophobicContact CB-CE2 4.28Å; M74-Y128 HydrophobicContact CB-CG 4.39Å; M74-A314 HydrophobicContact CE-CB 3.36Å; M74-A314 HydrophobicContact SD-CB 3.83Å
75D95.7Very high94.6Very high13 Ų1343.9 Ų43.97%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-67.2134.5166.5-89.1-52.9000111.2H85 K107 R108 M110D75-H85 IonicContact OD2-CD2 2.9Å; D75-H85 PolarHBondContact OD2-CD2 3.43Å; D75-H85 IonicContact OD2-CE1 3.66Å; D75-H85 IonicContact OD2-NE2 3.94Å; D75-H85 PolarHBondContact OD2-NE2 2.88Å; D75-K107 WeakPolarHBondContact OD1-CE 3.4Å; D75-K107 IonicContact OD1-NZ 2.8Å; D75-K107 PolarHBondContact OD1-NZ 2.94Å; D75-K107 WeakPolarHBondContact OD2-CE 3.31Å; D75-K107 IonicContact OD2-NZ 3.99Å; D75-K107 PolarHBondContact OD2-NZ 3.43Å; D75-R108 PolarHBondContact N-O 3.18Å; D75-M110 HydrophobicContact CB-CB 4.02Å; D75-M110 WeakPolarHBondContact O-CE 3.33Å
76T96.1Very high94.9Very high40 Ų4048.8 Ų48.825%0.24526%0.263CS..EExtended strand (participates in β ladder)trans-114.2-12.7175.159.20000113.4Y128 E129 L130 D131T76-Y128 HydrophobicContact CG2-CD1 4.15Å; T76-Y128 HydrophobicContact CG2-CG 4.41Å; T76-E129 VanDerWaalsContact CB-O 3.23Å; T76-E129 WeakPolarHBondContact CB-O 3.45Å; T76-E129 VanDerWaalsContact CG2-O 3.26Å; T76-E129 WeakPolarHBondContact CG2-O 3.35Å; T76-L130 WeakPolarHBondContact O-CD1 3.42Å; T76-D131 WeakPolarHBondContact O-CB 3.36Å; T76-D131 PolarHBondContact O-N 3.1Å
77K96.6Very high95.3Very high118 Ų11845.5 Ų45.551%0.51326%0.257SS..EExtended strand (participates in β ladder)trans-121.5-38.7-172.5-176.9171.8-173.3169.40114.6A79 D131 T134K77-A79 PolarHBondContact O-N 3.26Å; K77-D131 HydrophobicContact CB-CB 3.87Å; K77-D131 HydrophobicContact CG-CB 4.13Å; K77-T134 PolarHBondContact O-OG1 2.69Å
78V97Very high95.6Very high55 Ų5539.3 Ų39.333%0.33323%0.228SC..EExtended strand (participates in β ladder)trans-86.2102.5-172.7-178.40000109.7S80 M110V78-S80 PolarHBondContact O-N 2.87Å; V78-S80 VanDerWaalsContact O-N 3.14Å; V78-M110 WeakPolarHBondContact O-CB 3.41Å
79A97Very high96Very high28 Ų2835.2 Ų35.223%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-61.5115.5169.700000109.9K77 P112 F138K77-A79 PolarHBondContact O-N 3.26Å; A79-P112 HydrophobicContact CB-CG 3.95Å; A79-F138 HydrophobicContact CB-CE2 3.8Å; A79-F138 HydrophobicContact CB-CZ 3.88Å
80S98Very high96.5Very high0 Ų033.1 Ų33.10%019%0.188CC..  trans-66.6134.5-172.6-159.70000111.8V78 S84 M110 K263V78-S80 PolarHBondContact O-N 2.87Å; V78-S80 VanDerWaalsContact O-N 3.14Å; S80-S84 WeakPolarHBondContact CA-OG 3.22Å; S80-M110 WeakPolarHBondContact CB-O 3.26Å; S80-M110 PolarHBondContact N-O 3.18Å; S80-K263 WeakPolarHBondContact CB-O 3.14Å; S80-K263 PolarHBondContact OG-O 3.22Å
81T98.5Very high97Very high43 Ų4334.9 Ų34.926%0.26419%0.192SC..  trans-139.9178.9171.665.90000108.2T83 S84T81-T83 PolarHBondContact O-N 3.33Å; T81-T83 PolarHBondContact OG1-N 2.94Å; T81-S84 PolarHBondContact N-OG 2.98Å; T81-S84 PolarHBondContact O-OG 3.41Å; T81-S84 VanDerWaalsContact O-OG 3.14Å; T81-S84 WeakPolarHBondContact OG1-CB 3.42Å; T81-S84 PolarHBondContact OG1-N 3.41Å; T81-S84 VanDerWaalsContact OG1-N 3.1Å
82I98.8Very high97.3Very high0 Ų040.9 Ų40.90%022%0.218CC..SBendtrans-57.4-34.4177.2-60.9175.5000111.4A225 E228 L232 A260 E264 I504I82-A225 HydrophobicContact CD1-CB 3.98Å; I82-E228 HydrophobicContact CB-CB 4Å; I82-E228 HydrophobicContact CD1-CB 4.12Å; I82-E228 HydrophobicContact CG2-CB 3.92Å; I82-L232 HydrophobicContact CG2-CB 4.08Å; I82-L232 HydrophobicContact CG2-CD2 4.23Å; I82-A260 HydrophobicContact CD1-CB 4.41Å; I82-A260 HydrophobicContact CG1-CB 4.24Å; I82-A260 HydrophobicContact CG2-CB 3.86Å; I82-E264 HydrophobicContact CG1-CB 4.13Å; I82-E264 HydrophobicContact CG1-CG 4.48Å; I82-I504 HydrophobicContact CD1-CB 3.84Å; I82-I504 HydrophobicContact CD1-CG1 4.28Å; I82-I504 HydrophobicContact CD1-CG2 4.22Å
83T98.6Very high97.5Very high36 Ų3646.4 Ų46.422%0.22125%0.25CC..SBendtrans-116.11.2-171.459.60000114.8T81 H85 E228 E231 K235T81-T83 PolarHBondContact O-N 3.33Å; T81-T83 PolarHBondContact OG1-N 2.94Å; T83-H85 PolarHBondContact O-N 2.91Å; T83-E228 HydrophobicContact CG2-CB 3.96Å; T83-E228 HydrophobicContact CG2-CG 4.39Å; T83-E228 WeakPolarHBondContact CG2-O 3.23Å; T83-E231 HydrophobicContact CG2-CB 3.79Å; T83-K235 WeakPolarHBondContact O-CE 3.43Å; T83-K235 PolarHBondContact O-NZ 3.15Å
84S98.3Very high97.6Very high40 Ų4047.1 Ų47.128%0.2825%0.254SS..SBendtrans-62-39-172.847.60000114.2S80 T81S80-S84 WeakPolarHBondContact CA-OG 3.22Å; T81-S84 PolarHBondContact N-OG 2.98Å; T81-S84 PolarHBondContact O-OG 3.41Å; T81-S84 VanDerWaalsContact O-OG 3.14Å; T81-S84 WeakPolarHBondContact OG1-CB 3.42Å; T81-S84 PolarHBondContact OG1-N 3.41Å; T81-S84 VanDerWaalsContact OG1-N 3.1Å
85H98.4Very high97.8Very high8 Ų847.5 Ų47.54%0.03726%0.255CS..SBendtrans-101.2151.9-176.3-54.779000111.5D75 T83 E103 K235D75-H85 IonicContact OD2-CD2 2.9Å; D75-H85 PolarHBondContact OD2-CD2 3.43Å; D75-H85 IonicContact OD2-CE1 3.66Å; D75-H85 IonicContact OD2-NE2 3.94Å; D75-H85 PolarHBondContact OD2-NE2 2.88Å; T83-H85 PolarHBondContact O-N 2.91Å; H85-E103 IonicContact CD2-OE2 2.63Å; H85-K235 WeakPolarHBondContact O-CD 3.04Å; H85-K235 PolarHBondContact O-NZ 3Å
86D98Very high98Very high109 Ų10947.9 Ų47.958%0.58326%0.258SS*.  trans-76.7174.2171.3-68.1-29.6000112G88 K235D86-G88 PolarHBondContact O-N 3.35Å; D86-K235 IonicContact OD1-NZ 3.6Å; D86-K235 PolarHBondContact OD1-NZ 2.95Å
87A98.4Very high98.1Very high28 Ų2846 Ų4623%0.23125%0.246CC..  trans-67.4130.7179.400000111.3Y89 K235 Y236A87-Y89 HydrophobicContact CB-CE2 3.79Å; A87-K235 WeakPolarHBondContact CB-O 3.39Å; A87-Y236 HydrophobicContact CB-CD1 3.79Å; A87-Y236 HydrophobicContact CB-CD2 4.24Å; A87-Y236 HydrophobicContact CB-CE1 3.57Å; A87-Y236 HydrophobicContact CB-CE2 4.06Å; A87-Y236 HydrophobicContact CB-CG 4.12Å
88G98.1Very high98.2Very high2 Ų240.9 Ų40.92%0.02123%0.225CC..  trans-119.3151.3175.600000111.8D86 E103 Y236D86-G88 PolarHBondContact O-N 3.35Å; G88-E103 WeakPolarHBondContact CA-O 3.22Å; G88-Y236 PolarHBondContact N-OH 2.98Å; G88-Y236 VanDerWaalsContact N-OH 3.08Å; G88-Y236 WeakPolarHBondContact O-CE1 3.37Å
89Y98.5Very high98.3Very high52 Ų5238.3 Ų38.320%0.20421%0.209CC..  trans-141.2151.8-171.1-58.8-82.3000110.2A87 K92 E95 V98 P105 Y236A87-Y89 HydrophobicContact CB-CE2 3.79Å; Y89-K92 HydrophobicContact CD1-CB 3.96Å; Y89-K92 HydrophobicContact CD1-CD 4.45Å; Y89-K92 HydrophobicContact CD1-CG 3.92Å; Y89-K92 HydrophobicContact CD2-CB 4.34Å; Y89-K92 HydrophobicContact CD2-CD 4.26Å; Y89-K92 HydrophobicContact CD2-CG 4.48Å; Y89-K92 HydrophobicContact CE1-CB 4.45Å; Y89-K92 HydrophobicContact CE1-CD 4.17Å; Y89-K92 HydrophobicContact CE1-CG 3.91Å; Y89-K92 HydrophobicContact CE2-CD 3.97Å; Y89-K92 HydrophobicContact CE2-CG 4.47Å; Y89-K92 HydrophobicContact CG-CB 3.89Å; Y89-K92 HydrophobicContact CG-CD 4.49Å; Y89-K92 HydrophobicContact CG-CG 4.21Å; Y89-E95 WeakPolarHBondContact CA-OE2 3.41Å; Y89-E95 VanDerWaalsContact CB-OE2 3.3Å; Y89-E95 WeakPolarHBondContact CB-OE2 3.3Å; Y89-V98 HydrophobicContact CD1-CB 4.09Å; Y89-V98 HydrophobicContact CD1-CG1 3.9Å; Y89-V98 HydrophobicContact CE1-CB 3.82Å; Y89-V98 HydrophobicContact CE1-CG1 3.79Å; Y89-V98 HydrophobicContact CE1-CG2 4.31Å; Y89-P105 VanDerWaalsContact O-CD 3.31Å; Y89-P105 WeakPolarHBondContact O-CD 3.44Å; Y89-P105 VanDerWaalsContact O-CG 3.23Å; Y89-P105 WeakPolarHBondContact O-CG 3.39Å; Y89-Y236 AromaticContact CE1-CD1 3.93Å; Y89-Y236 HydrophobicContact CE1-CD1 3.93Å; Y89-Y236 HydrophobicContact CE1-CE1 4.11Å; Y89-Y236 AromaticContact CZ-CD1 3.94Å
90L97.4Very high98.3Very high13 Ų1337.2 Ų37.27%0.06820%0.2CC..SBendtrans-77.5-57.4162.7-78.4166.1000108.8L54 Q57 V58 L61 E95 P105 M306 I310L54-L90 HydrophobicContact CD2-CB 3.69Å; L54-L90 HydrophobicContact CD2-CD1 4.44Å; Q57-L90 HydrophobicContact CG-CD2 4.37Å; Q57-L90 PolarHBondContact NE2-O 2.78Å; Q57-L90 PolarHBondContact OE1-O 3.08Å; V58-L90 HydrophobicContact CG2-CD1 3.63Å; V58-L90 HydrophobicContact CG2-CD2 3.87Å; V58-L90 HydrophobicContact CG2-CG 4.44Å; L61-L90 HydrophobicContact CD1-CD2 3.98Å; L90-E95 PolarHBondContact N-OE2 3.03Å; L90-P105 HydrophobicContact CD2-CB 3.83Å; L90-P105 HydrophobicContact CD2-CG 3.74Å; L90-P105 HydrophobicContact CG-CB 4.39Å; L90-P105 HydrophobicContact CG-CG 3.97Å; L90-M306 HydrophobicContact CD1-CG 4.37Å; L90-M306 HydrophobicContact CD1-SD 3.8Å; L90-I310 HydrophobicContact CD1-CD1 4.42Å
91D98.1Very high98.4Very high64 Ų6437.9 Ų37.934%0.34220%0.203SC..  trans-152.9107.6170.2-173.7-30.2000108.2L54 D93 L94 E95L54-D91 HydrophobicContact CD2-CB 3.81Å; D91-D93 PolarHBondContact O-N 3.21Å; D91-D93 VanDerWaalsContact O-N 3.12Å; D91-D93 PolarHBondContact OD1-N 2.67Å; D91-D93 VanDerWaalsContact OD1-N 3.07Å; D91-L94 HydrophobicContact CB-CB 4.27Å; D91-L94 HydrophobicContact CB-CD1 4.14Å; D91-L94 HydrophobicContact CB-CG 4.24Å; D91-L94 PolarHBondContact O-N 3.24Å; D91-L94 VanDerWaalsContact O-N 3.12Å; D91-E95 PolarHBondContact N-OE2 2.93Å; D91-E95 VanDerWaalsContact O-CG 3.23Å; D91-E95 WeakPolarHBondContact O-CG 3.48Å; D91-E95 PolarHBondContact O-N 2.69Å; D91-E95 VanDerWaalsContact O-N 3.1Å; D91-E95 VanDerWaalsContact O-OE2 3.12Å
92K97.3Very high98.4Very high130 Ų13035.9 Ų35.957%0.56519%0.191SC*.THydrogen-bonded Turntrans-59.4-29.1-172.3-174.2174.4-178.6174.50113.4Y89Y89-K92 HydrophobicContact CD1-CB 3.96Å; Y89-K92 HydrophobicContact CD1-CD 4.45Å; Y89-K92 HydrophobicContact CD1-CG 3.92Å; Y89-K92 HydrophobicContact CD2-CB 4.34Å; Y89-K92 HydrophobicContact CD2-CD 4.26Å; Y89-K92 HydrophobicContact CD2-CG 4.48Å; Y89-K92 HydrophobicContact CE1-CB 4.45Å; Y89-K92 HydrophobicContact CE1-CD 4.17Å; Y89-K92 HydrophobicContact CE1-CG 3.91Å; Y89-K92 HydrophobicContact CE2-CD 3.97Å; Y89-K92 HydrophobicContact CE2-CG 4.47Å; Y89-K92 HydrophobicContact CG-CB 3.89Å; Y89-K92 HydrophobicContact CG-CD 4.49Å; Y89-K92 HydrophobicContact CG-CG 4.21Å
93D98.1Very high98.3Very high153 Ų15339 Ų3982%0.81821%0.205SC*.THydrogen-bonded Turntrans-84.7-19.7-175.5-65.5-29.4000112.2D91D91-D93 PolarHBondContact O-N 3.21Å; D91-D93 VanDerWaalsContact O-N 3.12Å; D91-D93 PolarHBondContact OD1-N 2.67Å; D91-D93 VanDerWaalsContact OD1-N 3.07Å
94L98.5Very high98.2Very high51 Ų5141.8 Ų41.827%0.26721%0.214SC..THydrogen-bonded Turntrans-97.7-26.7179.3-60.7-177.9000113A50 K53 L54 D91 T96 H303A50-L94 HydrophobicContact CB-CB 4.25Å; A50-L94 HydrophobicContact CB-CD2 4.26Å; K53-L94 HydrophobicContact CB-CD1 4.07Å; K53-L94 HydrophobicContact CD-CD1 4.27Å; L54-L94 HydrophobicContact CD1-CB 3.87Å; L54-L94 HydrophobicContact CD2-CB 4.15Å; L54-L94 HydrophobicContact CG-CB 3.96Å; L54-L94 HydrophobicContact CG-CD1 4.37Å; D91-L94 HydrophobicContact CB-CB 4.27Å; D91-L94 HydrophobicContact CB-CD1 4.14Å; D91-L94 HydrophobicContact CB-CG 4.24Å; D91-L94 PolarHBondContact O-N 3.24Å; D91-L94 VanDerWaalsContact O-N 3.12Å; L94-T96 PolarHBondContact O-N 2.94Å; L94-H303 PolarHBondContact O-CE1 2.73Å; L94-H303 VanDerWaalsContact O-CE1 3.28Å
95E98.6Very high98.1Very high14 Ų1440.6 Ų40.67%0.06521%0.206CC..  trans-72120.1-173.9-73.6171.380.500112.9L54 Y89 L90 D91 V98 K307L54-E95 HydrophobicContact CD1-CG 3.96Å; L54-E95 HydrophobicContact CD2-CG 3.96Å; Y89-E95 WeakPolarHBondContact CA-OE2 3.41Å; Y89-E95 VanDerWaalsContact CB-OE2 3.3Å; Y89-E95 WeakPolarHBondContact CB-OE2 3.3Å; L90-E95 PolarHBondContact N-OE2 3.03Å; D91-E95 PolarHBondContact N-OE2 2.93Å; D91-E95 VanDerWaalsContact O-CG 3.23Å; D91-E95 WeakPolarHBondContact O-CG 3.48Å; D91-E95 PolarHBondContact O-N 2.69Å; D91-E95 VanDerWaalsContact O-N 3.1Å; D91-E95 VanDerWaalsContact O-OE2 3.12Å; E95-V98 HydrophobicContact CB-CG1 3.67Å; E95-K307 WeakPolarHBondContact OE1-CE 3.46Å; E95-K307 IonicContact OE1-NZ 2.75Å; E95-K307 PolarHBondContact OE1-NZ 2.82Å
96T98.7Very high98Very high21 Ų2140.7 Ų40.713%0.12921%0.206CC..SBendtrans-81.5-28.3167.764.40000112.3L94 K248 E299 H303L94-T96 PolarHBondContact O-N 2.94Å; T96-K248 WeakPolarHBondContact O-CE 3.39Å; T96-E299 HydrophobicContact CG2-CG 4Å; T96-E299 WeakPolarHBondContact CG2-OE2 3.25Å; T96-H303 PolarHBondContact N-ND1 3.5Å; T96-H303 PolarHBondContact OG1-ND1 3.32Å
97I98.9Very high98Very high0 Ų036.4 Ų36.40%018%0.183CC..SBendtrans-124.5123.8173.6-60.2-62.4000108.7K248 V251 Q252 Y255 I300 H303 F304 K307I97-K248 HydrophobicContact CD1-CG 4.48Å; I97-V251 HydrophobicContact CD1-CB 3.88Å; I97-V251 HydrophobicContact CD1-CG1 3.6Å; I97-V251 HydrophobicContact CG1-CG1 3.86Å; I97-Q252 HydrophobicContact CD1-CB 4.01Å; I97-Y255 HydrophobicContact CG2-CD1 3.81Å; I97-Y255 HydrophobicContact CG2-CG 4.27Å; I97-I300 HydrophobicContact CD1-CG2 4.02Å; I97-I300 HydrophobicContact CG1-CG2 4.03Å; I97-H303 HydrophobicContact CB-CB 4.15Å; I97-H303 HydrophobicContact CG1-CB 4.39Å; I97-F304 HydrophobicContact CG1-CB 4.41Å; I97-K307 HydrophobicContact CG2-CG 4.46Å; I97-K307 WeakPolarHBondContact O-CE 3.25Å; I97-K307 PolarHBondContact O-NZ 3.03Å
98V98.8Very high97.9Very high12 Ų1235.3 Ų35.37%0.07317%0.172CC..  trans-116160.4-173.7-60.60000112.2Y89 E95 Y236 F238 Q252 Y255Y89-V98 HydrophobicContact CD1-CB 4.09Å; Y89-V98 HydrophobicContact CD1-CG1 3.9Å; Y89-V98 HydrophobicContact CE1-CB 3.82Å; Y89-V98 HydrophobicContact CE1-CG1 3.79Å; Y89-V98 HydrophobicContact CE1-CG2 4.31Å; E95-V98 HydrophobicContact CB-CG1 3.67Å; V98-Y236 HydrophobicContact CB-CD1 4.1Å; V98-Y236 HydrophobicContact CG2-CD1 3.7Å; V98-Y236 HydrophobicContact CG2-CG 4.32Å; V98-F238 HydrophobicContact CG2-CE2 3.51Å; V98-F238 HydrophobicContact CG2-CZ 4.1Å; V98-Q252 PolarHBondContact O-NE2 2.69Å; V98-Y255 VanDerWaalsContact O-CD1 3.32Å; V98-Y255 WeakPolarHBondContact O-CD1 3.49Å; V98-Y255 VanDerWaalsContact O-CE1 3.29Å; V98-Y255 WeakPolarHBondContact O-CE1 3.34Å
99G98.6Very high97.8Very high0 Ų035.3 Ų35.30%017%0.172CC..  trans128.8131.6179.400000112.3Y236 Y255 K307G99-Y236 VanDerWaalsContact CA-CE1 3.43Å; G99-Y255 WeakPolarHBondContact O-CE1 3.26Å; G99-Y255 PolarHBondContact O-OH 2.75Å; G99-K307 VanDerWaalsContact O-CD 3.28Å; G99-K307 WeakPolarHBondContact O-CD 3.37Å; G99-K307 WeakPolarHBondContact O-CE 3.29Å
100V98.6Very high97.7Very high6 Ų632.9 Ų32.94%0.03616%0.163CC..  trans-142.5161.7168.8-59.70000110.5T102 P105 Y236 K263 K307 I310V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 VanDerWaalsContact CG2-O 3.24Å; V100-T102 WeakPolarHBondContact CG2-O 3.44Å; V100-T102 PolarHBondContact O-N 3.05Å; V100-P105 HydrophobicContact CG1-CG 4.37Å; V100-Y236 PolarHBondContact N-OH 3.41Å; V100-Y236 VanDerWaalsContact N-OH 3.08Å; V100-Y236 PolarHBondContact O-OH 3.1Å; V100-K263 VanDerWaalsContact O-CE 3.25Å; V100-K263 WeakPolarHBondContact O-CE 3.32Å; V100-K263 PolarHBondContact O-NZ 3.42Å; V100-K307 HydrophobicContact CG1-CD 4.46Å; V100-I310 HydrophobicContact CG1-CD1 3.84Å
101Q98.4Very high97.6Very high14 Ų1433 Ų337%0.06516%0.162CC..SBendtrans-66.9-25.9-172.1-77.1171.3-85.300114.2L259 I262 K263 K312 F313Q101-L259 HydrophobicContact CG-CD1 4.25Å; Q101-I262 HydrophobicContact CG-CB 4.4Å; Q101-I262 HydrophobicContact CG-CD1 3.66Å; Q101-I262 HydrophobicContact CG-CG1 3.83Å; Q101-I262 PolarHBondContact NE2-O 3.14Å; Q101-K263 VanDerWaalsContact C-NZ 3.28Å; Q101-K263 PolarHBondContact O-NZ 2.93Å; Q101-K312 PolarHBondContact NE2-O 3.29Å; Q101-K312 PolarHBondContact OE1-O 2.74Å; Q101-K312 VanDerWaalsContact OE1-O 3.11Å; Q101-F313 VanDerWaalsContact NE2-CE1 3.35Å
102T98.4Very high97.5Very high0 Ų029.9 Ų29.90%015%0.146CC..SBendtrans-126.7-161176.163.80000109.5V100 K104 K107V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 VanDerWaalsContact CG2-O 3.24Å; V100-T102 WeakPolarHBondContact CG2-O 3.44Å; V100-T102 PolarHBondContact O-N 3.05Å; T102-K104 PolarHBondContact OG1-N 3.09Å; T102-K104 PolarHBondContact OG1-O 3.31Å; T102-K107 HydrophobicContact CG2-CG 4.35Å; T102-K107 WeakPolarHBondContact CG2-O 3.2Å; T102-K107 WeakPolarHBondContact OG1-CB 3.28Å; T102-K107 PolarHBondContact OG1-O 3.43Å; T102-K107 VanDerWaalsContact OG1-O 3.12Å
103E97.1Very high97.5Very high66 Ų6626.4 Ų26.431%0.30813%0.131SC..SBendtrans-80.4-5173.479.5-65.8169.100113.2H85 G88 K107H85-E103 IonicContact CD2-OE2 2.63Å; G88-E103 WeakPolarHBondContact CA-O 3.22Å; E103-K107 WeakPolarHBondContact OE1-CD 3.47Å; E103-K107 IonicContact OE1-NZ 2.7Å; E103-K107 PolarHBondContact OE1-NZ 2.86Å; E103-K107 IonicContact OE2-NZ 2.75Å; E103-K107 PolarHBondContact OE2-NZ 3.33Å
104K96.7Very high97.3Very high94 Ų9419.4 Ų19.441%0.40910%0.095SC..SBendtrans-135.7144.2177.2-67176.8-172.1169.10111.6W72 T102 K107W72-K104 HydrophobicContact CH2-CD 4.44Å; W72-K104 HydrophobicContact CZ3-CD 4.28Å; T102-K104 PolarHBondContact OG1-N 3.09Å; T102-K104 PolarHBondContact OG1-O 3.31Å; K104-K107 HydrophobicContact CB-CB 4.11Å
105P96.3Very high97.1Very high16 Ų1617.1 Ų17.110%0.1048%0.084CC..THydrogen-bonded Turntrans-55149.5164.6-20.932.1000110.8L61 Y89 L90 V100 K107L61-P105 HydrophobicContact CD1-CB 4.13Å; Y89-P105 VanDerWaalsContact O-CD 3.31Å; Y89-P105 WeakPolarHBondContact O-CD 3.44Å; Y89-P105 VanDerWaalsContact O-CG 3.23Å; Y89-P105 WeakPolarHBondContact O-CG 3.39Å; L90-P105 HydrophobicContact CD2-CB 3.83Å; L90-P105 HydrophobicContact CD2-CG 3.74Å; L90-P105 HydrophobicContact CG-CB 4.39Å; L90-P105 HydrophobicContact CG-CG 3.97Å; V100-P105 HydrophobicContact CG1-CG 4.37Å; P105-K107 PolarHBondContact O-N 2.83Å
106F96.5Very high97.1Very high9 Ų917 Ų174%0.0398%0.084CC..THydrogen-bonded Turntrans65.5-14.2177.1-77-116.7000117.4V58 L61 S62 E65 W72 R108 I310 K312V58-F106 HydrophobicContact CG1-CE2 4.2Å; V58-F106 HydrophobicContact CG1-CZ 4.19Å; L61-F106 HydrophobicContact CB-CD1 4.14Å; L61-F106 HydrophobicContact CB-CD2 3.88Å; L61-F106 HydrophobicContact CB-CE1 4.15Å; L61-F106 HydrophobicContact CB-CE2 3.87Å; L61-F106 HydrophobicContact CB-CG 4.04Å; L61-F106 HydrophobicContact CB-CZ 4.03Å; L61-F106 HydrophobicContact CD1-CD2 3.84Å; L61-F106 HydrophobicContact CD1-CE2 4.17Å; L61-F106 HydrophobicContact CG-CD2 4.49Å; S62-F106 VanDerWaalsContact OG-CZ 3.3Å; S62-F106 WeakPolarHBondContact OG-CZ 3.24Å; E65-F106 HydrophobicContact CB-CD1 4.26Å; E65-F106 HydrophobicContact CB-CE1 4.49Å; W72-F106 HydrophobicContact CB-CB 3.87Å; W72-F106 HydrophobicContact CB-CD1 4.4Å; W72-F106 HydrophobicContact CD2-CB 4.16Å; W72-F106 HydrophobicContact CE3-CB 4.24Å; W72-F106 HydrophobicContact CG-CB 3.99Å; F106-R108 PolarHBondContact O-N 3.2Å; F106-I310 HydrophobicContact CD2-CG2 4.44Å; F106-I310 HydrophobicContact CE2-CB 4.09Å; F106-I310 HydrophobicContact CE2-CG2 3.6Å; F106-I310 HydrophobicContact CZ-CG2 4.22Å; F106-K312 HydrophobicContact CD1-CD 4.18Å; F106-K312 HydrophobicContact CG-CD 4.37Å
107K97.3Very high96.9Very high20 Ų2023.4 Ų23.49%0.08711%0.105CC..EExtended strand (participates in β ladder)trans-73.9121172.9178.6-174.6-178.8-153.50110.2D73 D75 T102 E103 K104 P105D73-K107 HydrophobicContact CB-CB 3.95Å; D73-K107 HydrophobicContact CB-CG 3.95Å; D73-K107 WeakPolarHBondContact O-CA 3.42Å; D75-K107 WeakPolarHBondContact OD1-CE 3.4Å; D75-K107 IonicContact OD1-NZ 2.8Å; D75-K107 PolarHBondContact OD1-NZ 2.94Å; D75-K107 WeakPolarHBondContact OD2-CE 3.31Å; D75-K107 IonicContact OD2-NZ 3.99Å; D75-K107 PolarHBondContact OD2-NZ 3.43Å; T102-K107 HydrophobicContact CG2-CG 4.35Å; T102-K107 WeakPolarHBondContact CG2-O 3.2Å; T102-K107 WeakPolarHBondContact OG1-CB 3.28Å; T102-K107 PolarHBondContact OG1-O 3.43Å; T102-K107 VanDerWaalsContact OG1-O 3.12Å; E103-K107 WeakPolarHBondContact OE1-CD 3.47Å; E103-K107 IonicContact OE1-NZ 2.7Å; E103-K107 PolarHBondContact OE1-NZ 2.86Å; E103-K107 IonicContact OE2-NZ 2.75Å; E103-K107 PolarHBondContact OE2-NZ 3.33Å; K104-K107 HydrophobicContact CB-CB 4.11Å; P105-K107 PolarHBondContact O-N 2.83Å
108R97.1Very high96.6Very high5 Ų524.9 Ų24.92%0.01911%0.112CC..EExtended strand (participates in β ladder)trans-83.6133.3-177.8-51.9-161.8-166.4-149.6-10.3111E65 G70 M71 D73 M74 D75 F106 K312 F313 A314 D326E65-R108 IonicContact OE1-CZ 3.23Å; E65-R108 IonicContact OE1-NE 3.46Å; E65-R108 IonicContact OE1-NH2 3.48Å; E65-R108 PolarHBondContact OE1-NH2 3.44Å; G70-R108 PolarHBondContact O-NH2 3.36Å; M71-R108 HydrophobicContact CE-CG 4.41Å; M71-R108 HydrophobicContact SD-CB 4.15Å; M71-R108 WeakPolarHBondContact SD-CD 3.32Å; M71-R108 HydrophobicContact SD-CG 3.57Å; M71-R108 VanDerWaalsContact SD-CG 3.57Å; M71-R108 PolarHBondContact SD-NE 3.05Å; D73-R108 PolarHBondContact O-N 3.13Å; M74-R108 WeakPolarHBondContact CA-O 3.48Å; D75-R108 PolarHBondContact N-O 3.18Å; F106-R108 PolarHBondContact O-N 3.2Å; R108-K312 HydrophobicContact CG-CB 4.01Å; R108-F313 VanDerWaalsContact CD-C 3.47Å; R108-F313 WeakPolarHBondContact CD-O 3.21Å; R108-F313 PolarHBondContact NH1-O 2.93Å; R108-A314 HydrophobicContact CB-CB 4.3Å; R108-D326 IonicContact CZ-OD1 2.76Å; R108-D326 IonicContact CZ-OD2 2.76Å; R108-D326 IonicContact NH1-OD1 2.71Å; R108-D326 PolarHBondContact NH1-OD1 3.41Å; R108-D326 IonicContact NH1-OD2 3.67Å; R108-D326 IonicContact NH2-OD1 3.21Å; R108-D326 PolarHBondContact NH2-OD1 2.81Å; R108-D326 IonicContact NH2-OD2 3.68Å; R108-D326 PolarHBondContact NH2-OD2 3.03Å
109S96.7Very high96.4Very high1 Ų124.9 Ų24.91%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-76.4150.918058.10000113
110M95.9Very high96.2Very high2 Ų227.7 Ų27.71%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-83.5112.3172.1173.656.167.500110.6M74 D75 V78 S80 P112 A119 C123 L130 T134M74-M110 HydrophobicContact CE-CE 3.79Å; D75-M110 HydrophobicContact CB-CB 4.02Å; D75-M110 WeakPolarHBondContact O-CE 3.33Å; V78-M110 WeakPolarHBondContact O-CB 3.41Å; S80-M110 WeakPolarHBondContact CB-O 3.26Å; S80-M110 PolarHBondContact N-O 3.18Å; M110-P112 VanDerWaalsContact O-CD 3.24Å; M110-P112 WeakPolarHBondContact O-CD 3.41Å; M110-A119 HydrophobicContact CE-CB 4.47Å; M110-A119 HydrophobicContact SD-CB 3.63Å; M110-C123 WeakPolarHBondContact CE-SG 3.42Å; M110-L130 HydrophobicContact CE-CD1 3.4Å; M110-L130 VanDerWaalsContact CE-CD1 3.4Å; M110-L130 HydrophobicContact SD-CD1 4.01Å; M110-T134 HydrophobicContact CG-CG2 4.45Å
111Q95.5Very high96Very high14 Ų1429.2 Ų29.27%0.06514%0.139CC..  trans-118.481.5-178.2-79.1172.2-40.300112I262 K263 E264 Q265 F313Q111-I262 PolarHBondContact NE2-O 3.29Å; Q111-K263 PolarHBondContact NE2-O 2.77Å; Q111-E264 VanDerWaalsContact NE2-C 3.33Å; Q111-E264 PolarHBondContact NE2-O 2.93Å; Q111-Q265 VanDerWaalsContact NE2-C 3.29Å; Q111-Q265 PolarHBondContact NE2-O 3.23Å; Q111-Q265 VanDerWaalsContact NE2-O 3.14Å; Q111-F313 VanDerWaalsContact OE1-CD1 3.28Å
112P96Very high95.8Very high0 Ų028.6 Ų28.60%014%0.136CC..G310 helixtrans-85.1-13.7-168.533.1-37.3000114.8A79 M110 G114 G115 I116 F138 T144A79-P112 HydrophobicContact CB-CG 3.95Å; M110-P112 VanDerWaalsContact O-CD 3.24Å; M110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-G114 PolarHBondContact O-N 3.17Å; P112-G115 CarbonylContact O-C 3.6Å; P112-G115 WeakPolarHBondContact O-CA 3.13Å; P112-G115 PolarHBondContact O-N 3.48Å; P112-I116 HydrophobicContact CB-CD1 3.93Å; P112-F138 HydrophobicContact CB-CB 4.27Å; P112-F138 HydrophobicContact CB-CD1 3.91Å; P112-F138 HydrophobicContact CB-CD2 3.65Å; P112-F138 HydrophobicContact CB-CE1 4.17Å; P112-F138 HydrophobicContact CB-CE2 3.96Å; P112-F138 HydrophobicContact CB-CG 3.65Å; P112-F138 HydrophobicContact CB-CZ 4.21Å; P112-F138 HydrophobicContact CG-CD1 3.89Å; P112-F138 HydrophobicContact CG-CD2 3.49Å; P112-F138 VanDerWaalsContact CG-CD2 3.49Å; P112-F138 HydrophobicContact CG-CE1 3.62Å; P112-F138 HydrophobicContact CG-CE2 3.23Å; P112-F138 HydrophobicContact CG-CG 3.84Å; P112-F138 HydrophobicContact CG-CZ 3.3Å; P112-T144 WeakPolarHBondContact O-CG2 3.47Å
113F96.2Very high95.5Very high57 Ų5728.6 Ų28.625%0.2514%0.136CC..G310 helixtrans-58-35.1-178.8-64-82.5000113.2G115 F138 R142 T144 H145F113-G115 VanDerWaalsContact C-N 3.32Å; F113-F138 AromaticContact CD1-CE1 3.81Å; F113-F138 HydrophobicContact CD1-CE1 3.81Å; F113-F138 HydrophobicContact CD2-CE1 4.49Å; F113-F138 AromaticContact CE1-CE1 3.73Å; F113-F138 HydrophobicContact CE1-CE1 3.73Å; F113-F138 HydrophobicContact CE1-CZ 4.23Å; F113-F138 HydrophobicContact CE2-CE1 4.42Å; F113-F138 HydrophobicContact CE2-CZ 4.4Å; F113-F138 HydrophobicContact CG-CE1 4.2Å; F113-F138 HydrophobicContact CZ-CE1 4.05Å; F113-F138 HydrophobicContact CZ-CZ 4.1Å; F113-R142 HydrophobicContact CD1-CG 4.49Å; F113-R142 HydrophobicContact CE1-CG 4.47Å; F113-T144 WeakPolarHBondContact O-CA 3.23Å; F113-T144 WeakPolarHBondContact O-CB 3.21Å; F113-H145 PolarHBondContact O-N 3.46Å
114G94.4Very high95.4Very high5 Ų530.9 Ų30.95%0.05215%0.147CC..G310 helixtrans-66.6-30.8173.400000113.4P112 N146P112-G114 PolarHBondContact O-N 3.17Å; G114-N146 VanDerWaalsContact O-CB 3.3Å; G114-N146 WeakPolarHBondContact O-CB 3.43Å; G114-N146 PolarHBondContact O-N 3.47Å
115G95.7Very high95.1Very high4 Ų428.8 Ų28.84%0.04115%0.148CC..  trans158.4119.1177.700000114.6P112 F113 R117 M118 A119P112-G115 CarbonylContact O-C 3.6Å; P112-G115 WeakPolarHBondContact O-CA 3.13Å; P112-G115 PolarHBondContact O-N 3.48Å; F113-G115 VanDerWaalsContact C-N 3.32Å; G115-R117 VanDerWaalsContact C-N 3.31Å; G115-R117 PolarHBondContact O-N 3.22Å; G115-M118 VanDerWaalsContact CA-CE 3.48Å; G115-M118 PolarHBondContact O-N 3.34Å; G115-A119 PolarHBondContact O-N 3.13Å
116I96.7Very high94.9Very high12 Ų1230.8 Ų30.86%0.06215%0.154CC..Hα-helixtrans-65.1-33-177.1-166.456.8000113.1P112 M118 A119 K120 L130 E135 F138 T144P112-I116 HydrophobicContact CB-CD1 3.93Å; I116-M118 PolarHBondContact O-N 3.4Å; I116-A119 PolarHBondContact O-N 3.49Å; I116-K120 WeakPolarHBondContact O-CB 3.45Å; I116-K120 PolarHBondContact O-N 2.85Å; I116-L130 HydrophobicContact CD1-CD2 3.66Å; I116-L130 HydrophobicContact CG1-CD2 4.14Å; I116-E135 HydrophobicContact CG1-CG 4.29Å; I116-F138 HydrophobicContact CB-CB 3.81Å; I116-F138 HydrophobicContact CD1-CB 3.9Å; I116-F138 HydrophobicContact CG1-CB 3.92Å; I116-T144 HydrophobicContact CB-CG2 4.46Å
117R95.2Very high94.7Very high155 Ų15534 Ų3459%0.58519%0.189SC*.Hα-helixtrans-61.3-42.2177.8-72.3-178.657.9-161.3-6.7112.6G115 A121G115-R117 VanDerWaalsContact C-N 3.31Å; G115-R117 PolarHBondContact O-N 3.22Å; R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 3.17Å
118M93.6Very high94.6Very high30 Ų3036.1 Ų36.115%0.14820%0.197CC..Hα-helixtrans-76.8-35.7-179.6-70.662.255.900110.7G115 I116 A121 A122 N146 A172 T316G115-M118 VanDerWaalsContact CA-CE 3.48Å; G115-M118 PolarHBondContact O-N 3.34Å; I116-M118 PolarHBondContact O-N 3.4Å; M118-A121 PolarHBondContact O-N 3.41Å; M118-A122 VanDerWaalsContact O-CB 3.31Å; M118-A122 WeakPolarHBondContact O-CB 3.5Å; M118-A122 PolarHBondContact O-N 2.97Å; M118-N146 HydrophobicContact CE-CB 3.31Å; M118-N146 WeakPolarHBondContact CE-ND2 3.31Å; M118-A172 HydrophobicContact CE-CB 4.47Å; M118-A172 HydrophobicContact CG-CB 3.91Å; M118-A172 WeakPolarHBondContact CG-O 3.26Å; M118-A172 HydrophobicContact SD-CB 4.08Å; M118-T316 HydrophobicContact CB-CG2 3.86Å; M118-T316 HydrophobicContact CG-CG2 4.21Å; M118-T316 WeakPolarHBondContact O-CG2 3.42Å
119A93.5Very high94.6Very high12 Ų1243.6 Ų43.610%0.09923%0.232CC..Hα-helixtrans-59.8-46.5172.900000111.5M110 G115 I116 A122 C123M110-A119 HydrophobicContact CE-CB 4.47Å; M110-A119 HydrophobicContact SD-CB 3.63Å; G115-A119 PolarHBondContact O-N 3.13Å; I116-A119 PolarHBondContact O-N 3.49Å; A119-A122 PolarHBondContact O-N 3.44Å; A119-C123 PolarHBondContact O-N 2.97Å
120K95.1Very high94.5Very high59 Ų5943.9 Ų43.926%0.25723%0.234SC..Hα-helixtrans-60.2-50.7173.7-176.1166.7-178.8157.10112.2I116 A122 C123 E124 L130 E135I116-K120 WeakPolarHBondContact O-CB 3.45Å; I116-K120 PolarHBondContact O-N 2.85Å; K120-A122 PolarHBondContact O-N 3.42Å; K120-C123 WeakPolarHBondContact O-CB 3.25Å; K120-C123 PolarHBondContact O-N 3.2Å; K120-C123 VanDerWaalsContact O-N 3.1Å; K120-E124 WeakPolarHBondContact CE-OE1 3.19Å; K120-E124 HydrophobicContact CG-CG 4.36Å; K120-E124 WeakPolarHBondContact CG-OE1 3.21Å; K120-E124 WeakPolarHBondContact O-CG 3.5Å; K120-E124 PolarHBondContact O-N 3.34Å; K120-L130 HydrophobicContact CB-CD2 3.75Å; K120-L130 HydrophobicContact CD-CD2 4.32Å; K120-L130 HydrophobicContact CG-CB 4.37Å; K120-L130 HydrophobicContact CG-CD2 4.17Å; K120-E135 WeakPolarHBondContact CD-OE1 3.3Å; K120-E135 IonicContact NZ-OE1 3.65Å; K120-E135 PolarHBondContact NZ-OE1 2.93Å; K120-E135 IonicContact NZ-OE2 3.79Å; K120-E135 PolarHBondContact NZ-OE2 3.46Å
121A94.6Very high94.6Very high38 Ų3845.7 Ų45.731%0.31424%0.243SC..Hα-helixtrans-60.8-34.4178.800000112.5R117 M118 A125 T316R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 3.17Å; M118-A121 PolarHBondContact O-N 3.41Å; A121-A125 VanDerWaalsContact O-CB 3.22Å; A121-A125 WeakPolarHBondContact O-CB 3.43Å; A121-A125 PolarHBondContact O-N 3.19Å; A121-T316 HydrophobicContact CB-CG2 4.06Å
122A92.6Very high94.7Very high1 Ų152.7 Ų52.71%0.00828%0.276CS..Hα-helixtrans-66.8-46.1173.200000111.4M118 A119 K120 E124 A125 Y126 A314 T316M118-A122 VanDerWaalsContact O-CB 3.31Å; M118-A122 WeakPolarHBondContact O-CB 3.5Å; M118-A122 PolarHBondContact O-N 2.97Å; A119-A122 PolarHBondContact O-N 3.44Å; K120-A122 PolarHBondContact O-N 3.42Å; A122-E124 PolarHBondContact O-N 3.35Å; A122-A125 PolarHBondContact O-N 3.5Å; A122-Y126 WeakPolarHBondContact O-CD2 3.49Å; A122-A314 HydrophobicContact CB-CB 4.37Å; A122-T316 HydrophobicContact CB-CG2 4.35Å
123C93.1Very high94.8Very high0 Ų058.5 Ų58.50%030%0.303CS..Hα-helixtrans-55.2-54.3173.8-730000111.8M74 M110 A119 K120 A125 Y126 G127 Y128M74-C123 HydrophobicContact CE-CB 4.5Å; M74-C123 WeakPolarHBondContact CE-SG 3.3Å; M110-C123 WeakPolarHBondContact CE-SG 3.42Å; A119-C123 PolarHBondContact O-N 2.97Å; K120-C123 WeakPolarHBondContact O-CB 3.25Å; K120-C123 PolarHBondContact O-N 3.2Å; K120-C123 VanDerWaalsContact O-N 3.1Å; C123-A125 VanDerWaalsContact C-N 3.3Å; C123-A125 PolarHBondContact O-N 3.21Å; C123-Y126 CarbonylContact O-C 3.6Å; C123-Y126 PolarHBondContact O-N 3.48Å; C123-Y126 VanDerWaalsContact O-N 3.08Å; C123-G127 PolarHBondContact O-N 2.77Å; C123-Y128 CarbonylContact C-O 3.51Å; C123-Y128 PolarHBondContact O-N 2.93Å
124E94.5Very high94.8Very high114 Ų11456.1 Ų56.153%0.53329%0.293SS..Hα-helixtrans-61.4-38.6-175.2-70.117317500111.7K120 A122 Y126 G127 Y128K120-E124 WeakPolarHBondContact CE-OE1 3.19Å; K120-E124 HydrophobicContact CG-CG 4.36Å; K120-E124 WeakPolarHBondContact CG-OE1 3.21Å; K120-E124 WeakPolarHBondContact O-CG 3.5Å; K120-E124 PolarHBondContact O-N 3.34Å; A122-E124 PolarHBondContact O-N 3.35Å; E124-Y126 PolarHBondContact O-N 2.68Å; E124-G127 PolarHBondContact O-N 3.24Å; E124-G127 VanDerWaalsContact O-N 3.13Å; E124-Y128 WeakPolarHBondContact CA-O 3.35Å; E124-Y128 PolarHBondContact N-O 3.06Å
125A91.8Very high95Very high51 Ų5158.7 Ų58.742%0.42130%0.304SS..Hα-helixtrans-62.1-24.2178.300000113.7A121 A122 C123 P317A121-A125 VanDerWaalsContact O-CB 3.22Å; A121-A125 WeakPolarHBondContact O-CB 3.43Å; A121-A125 PolarHBondContact O-N 3.19Å; A122-A125 PolarHBondContact O-N 3.5Å; C123-A125 VanDerWaalsContact C-N 3.3Å; C123-A125 PolarHBondContact O-N 3.21Å; A125-P317 HydrophobicContact CB-CG 3.71Å
126Y90.3Very high95.1Very high58 Ų5863.4 Ų63.423%0.22732%0.323CS..THydrogen-bonded Turntrans-109.614.9178.5-64.1-72.2000113.1M71 A122 C123 E124 Y128 N320M71-Y126 HydrophobicContact CB-CD1 3.55Å; M71-Y126 HydrophobicContact CB-CD2 4.42Å; M71-Y126 HydrophobicContact CB-CE1 4.11Å; M71-Y126 HydrophobicContact CB-CG 3.73Å; M71-Y126 HydrophobicContact CE-CD1 4.38Å; M71-Y126 HydrophobicContact CE-CD2 3.3Å; M71-Y126 HydrophobicContact CE-CE2 3.51Å; M71-Y126 HydrophobicContact CE-CG 3.8Å; M71-Y126 HydrophobicContact CG-CD1 4.47Å; M71-Y126 HydrophobicContact CG-CG 4.17Å; A122-Y126 WeakPolarHBondContact O-CD2 3.49Å; C123-Y126 CarbonylContact O-C 3.6Å; C123-Y126 PolarHBondContact O-N 3.48Å; C123-Y126 VanDerWaalsContact O-N 3.08Å; E124-Y126 PolarHBondContact O-N 2.68Å; Y126-Y128 VanDerWaalsContact O-CD2 3.25Å; Y126-Y128 WeakPolarHBondContact O-CD2 3.11Å; Y126-Y128 WeakPolarHBondContact O-CE2 3.34Å; Y126-N320 PolarHBondContact OH-ND2 2.9Å; Y126-N320 VanDerWaalsContact OH-ND2 3.14Å
127G93.4Very high95.2Very high76 Ų7665.5 Ų65.578%0.78433%0.334SS*.THydrogen-bonded Turntrans78.617.8175.900000115C123 E124C123-G127 PolarHBondContact O-N 2.77Å; E124-G127 PolarHBondContact O-N 3.24Å; E124-G127 VanDerWaalsContact O-N 3.13Å
128Y95.1Very high95.3Very high65 Ų6558.8 Ų58.826%0.25531%0.309SS..  trans-100.5151.6174-63.8-95.3000110.8M71 M74 T76 C123 E124 Y126M71-Y128 HydrophobicContact CG-CE2 3.99Å; M74-Y128 HydrophobicContact CB-CD1 4.42Å; M74-Y128 HydrophobicContact CB-CD2 4.3Å; M74-Y128 HydrophobicContact CB-CE1 4.38Å; M74-Y128 HydrophobicContact CB-CE2 4.28Å; M74-Y128 HydrophobicContact CB-CG 4.39Å; T76-Y128 HydrophobicContact CG2-CD1 4.15Å; T76-Y128 HydrophobicContact CG2-CG 4.41Å; C123-Y128 CarbonylContact C-O 3.51Å; C123-Y128 PolarHBondContact O-N 2.93Å; E124-Y128 WeakPolarHBondContact CA-O 3.35Å; E124-Y128 PolarHBondContact N-O 3.06Å; Y126-Y128 VanDerWaalsContact O-CD2 3.25Å; Y126-Y128 WeakPolarHBondContact O-CD2 3.11Å; Y126-Y128 WeakPolarHBondContact O-CE2 3.34Å
129E96Very high95.5Very high161 Ų16161.1 Ų61.175%0.75233%0.325SS*.  trans-108.3128.9173.6-170.6170-166.400109.6T76T76-E129 VanDerWaalsContact CB-O 3.23Å; T76-E129 WeakPolarHBondContact CB-O 3.45Å; T76-E129 VanDerWaalsContact CG2-O 3.26Å; T76-E129 WeakPolarHBondContact CG2-O 3.35Å
130L96.5Very high95.7Very high8 Ų865.4 Ų65.44%0.04235%0.346CS..  trans-67.8135176.6177.866.4000109.8T76 M110 I116 K120 E132 T134 E135T76-L130 WeakPolarHBondContact O-CD1 3.42Å; M110-L130 HydrophobicContact CE-CD1 3.4Å; M110-L130 VanDerWaalsContact CE-CD1 3.4Å; M110-L130 HydrophobicContact SD-CD1 4.01Å; I116-L130 HydrophobicContact CD1-CD2 3.66Å; I116-L130 HydrophobicContact CG1-CD2 4.14Å; K120-L130 HydrophobicContact CB-CD2 3.75Å; K120-L130 HydrophobicContact CD-CD2 4.32Å; K120-L130 HydrophobicContact CG-CB 4.37Å; K120-L130 HydrophobicContact CG-CD2 4.17Å; L130-E132 PolarHBondContact O-N 3.17Å; L130-T134 HydrophobicContact CD1-CG2 4.19Å; L130-E135 HydrophobicContact CD2-CB 3.74Å; L130-E135 HydrophobicContact CD2-CG 4.14Å; L130-E135 HydrophobicContact CG-CB 4.27Å
131D97.9Very high95.9Very high39 Ų3970.3 Ų70.321%0.20936%0.364CS..  trans-61.5130.5175.8171.3-91.5000111.2T76 K77 E133 T134 E135T76-D131 WeakPolarHBondContact O-CB 3.36Å; T76-D131 PolarHBondContact O-N 3.1Å; K77-D131 HydrophobicContact CB-CB 3.87Å; K77-D131 HydrophobicContact CG-CB 4.13Å; D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 3.01Å; D131-E133 WeakPolarHBondContact OD1-CB 3.45Å; D131-E133 PolarHBondContact OD1-N 3.46Å; D131-T134 WeakPolarHBondContact O-CB 3.37Å; D131-T134 PolarHBondContact O-N 3.03Å; D131-T134 VanDerWaalsContact O-N 3.15Å; D131-T134 PolarHBondContact OD1-N 2.97Å; D131-T134 PolarHBondContact OD1-OG1 3.2Å; D131-E135 PolarHBondContact O-N 3.1Å
132E97.4Very high96.1Very high161 Ų16172.2 Ų72.275%0.75236%0.363SS*.Hα-helixtrans-61.7-36.6-173.9-65.1-174.6165.600113L130 T134 E135 K136L130-E132 PolarHBondContact O-N 3.17Å; E132-T134 VanDerWaalsContact C-N 3.35Å; E132-E135 PolarHBondContact O-N 2.98Å; E132-K136 WeakPolarHBondContact O-CB 3.11Å; E132-K136 PolarHBondContact O-N 3.01Å
133E97.5Very high96.3Very high123 Ų12375.6 Ų75.658%0.57538%0.378SS*.Hα-helixtrans-67.4-41.1178.3-176.4176.5-164.700110.3D131 K136 I137D131-E133 VanDerWaalsContact C-N 3.31Å; D131-E133 PolarHBondContact O-N 3.01Å; D131-E133 WeakPolarHBondContact OD1-CB 3.45Å; D131-E133 PolarHBondContact OD1-N 3.46Å; E133-K136 PolarHBondContact O-N 3.42Å; E133-I137 HydrophobicContact CG-CD1 4.08Å; E133-I137 VanDerWaalsContact O-CG1 3.26Å; E133-I137 WeakPolarHBondContact O-CG1 3.44Å; E133-I137 PolarHBondContact O-N 2.92Å
134T96.8Very high96.6Very high6 Ų675.7 Ų75.74%0.03738%0.379CS..Hα-helixtrans-61.5-48.3174.2-540000111.2K77 M110 L130 D131 E132 K136 I137 F138K77-T134 PolarHBondContact O-OG1 2.69Å; M110-T134 HydrophobicContact CG-CG2 4.45Å; L130-T134 HydrophobicContact CD1-CG2 4.19Å; D131-T134 WeakPolarHBondContact O-CB 3.37Å; D131-T134 PolarHBondContact O-N 3.03Å; D131-T134 VanDerWaalsContact O-N 3.15Å; D131-T134 PolarHBondContact OD1-N 2.97Å; D131-T134 PolarHBondContact OD1-OG1 3.2Å; E132-T134 VanDerWaalsContact C-N 3.35Å; T134-K136 VanDerWaalsContact C-N 3.3Å; T134-K136 PolarHBondContact O-N 2.96Å; T134-I137 PolarHBondContact O-N 3.35Å; T134-F138 HydrophobicContact CG2-CD2 4.19Å; T134-F138 HydrophobicContact CG2-CE2 4.34Å; T134-F138 WeakPolarHBondContact O-CD2 3.36Å; T134-F138 PolarHBondContact O-N 3.11Å
135E97.6Very high96.8Very high60 Ų6070.3 Ų70.328%0.2835%0.353SS..Hα-helixtrans-57.7-44.4176-174.1169.1-172.900111.5I116 K120 L130 D131 E132 F138 T139I116-E135 HydrophobicContact CG1-CG 4.29Å; K120-E135 WeakPolarHBondContact CD-OE1 3.3Å; K120-E135 IonicContact NZ-OE1 3.65Å; K120-E135 PolarHBondContact NZ-OE1 2.93Å; K120-E135 IonicContact NZ-OE2 3.79Å; K120-E135 PolarHBondContact NZ-OE2 3.46Å; L130-E135 HydrophobicContact CD2-CB 3.74Å; L130-E135 HydrophobicContact CD2-CG 4.14Å; L130-E135 HydrophobicContact CG-CB 4.27Å; D131-E135 PolarHBondContact O-N 3.1Å; E132-E135 PolarHBondContact O-N 2.98Å; E135-F138 PolarHBondContact O-N 3.39Å; E135-T139 VanDerWaalsContact O-CB 3.29Å; E135-T139 WeakPolarHBondContact O-CB 3.09Å; E135-T139 PolarHBondContact O-N 2.81Å; E135-T139 VanDerWaalsContact O-N 3.09Å; E135-T139 PolarHBondContact O-OG1 2.86Å
136K98.2Very high97.1Very high103 Ų10368 Ų6845%0.44833%0.334SS..Hα-helixtrans-61.7-46.2178.4-173.7176.4-177.4175.60112.3E132 E133 T134 F138 T139 D140 Y141E132-K136 WeakPolarHBondContact O-CB 3.11Å; E132-K136 PolarHBondContact O-N 3.01Å; E133-K136 PolarHBondContact O-N 3.42Å; T134-K136 VanDerWaalsContact C-N 3.3Å; T134-K136 PolarHBondContact O-N 2.96Å; K136-F138 VanDerWaalsContact C-N 3.34Å; K136-F138 PolarHBondContact O-N 3.28Å; K136-T139 PolarHBondContact O-N 3.39Å; K136-D140 HydrophobicContact CG-CB 4.48Å; K136-D140 WeakPolarHBondContact CG-OD2 3.26Å; K136-D140 WeakPolarHBondContact O-CB 3.32Å; K136-D140 PolarHBondContact O-N 3.18Å; K136-Y141 WeakPolarHBondContact CE-OH 3.39Å
137I98.4Very high97.5Very high56 Ų5668.8 Ų68.829%0.28734%0.34SS..Iπ-helixtrans-57.4-48-179.8-71.2162.4000110.8E133 T134 T139 Y141 R142E133-I137 HydrophobicContact CG-CD1 4.08Å; E133-I137 VanDerWaalsContact O-CG1 3.26Å; E133-I137 WeakPolarHBondContact O-CG1 3.44Å; E133-I137 PolarHBondContact O-N 2.92Å; T134-I137 PolarHBondContact O-N 3.35Å; I137-T139 VanDerWaalsContact C-N 3.29Å; I137-T139 PolarHBondContact O-N 2.85Å; I137-Y141 HydrophobicContact CB-CD2 4.32Å; I137-Y141 HydrophobicContact CG1-CD2 3.98Å; I137-Y141 HydrophobicContact CG1-CE2 4.33Å; I137-Y141 PolarHBondContact O-N 3.45Å; I137-R142 PolarHBondContact O-N 3.24Å
138F98.2Very high97.7Very high13 Ų1365.1 Ų65.16%0.05730%0.302CS..Iπ-helixtrans-87.24.2-175.4-67.4-82.2000114.5A79 P112 F113 I116 T134 E135 K136 R142 T144A79-F138 HydrophobicContact CB-CE2 3.8Å; A79-F138 HydrophobicContact CB-CZ 3.88Å; P112-F138 HydrophobicContact CB-CB 4.27Å; P112-F138 HydrophobicContact CB-CD1 3.91Å; P112-F138 HydrophobicContact CB-CD2 3.65Å; P112-F138 HydrophobicContact CB-CE1 4.17Å; P112-F138 HydrophobicContact CB-CE2 3.96Å; P112-F138 HydrophobicContact CB-CG 3.65Å; P112-F138 HydrophobicContact CB-CZ 4.21Å; P112-F138 HydrophobicContact CG-CD1 3.89Å; P112-F138 HydrophobicContact CG-CD2 3.49Å; P112-F138 VanDerWaalsContact CG-CD2 3.49Å; P112-F138 HydrophobicContact CG-CE1 3.62Å; P112-F138 HydrophobicContact CG-CE2 3.23Å; P112-F138 HydrophobicContact CG-CG 3.84Å; P112-F138 HydrophobicContact CG-CZ 3.3Å; F113-F138 AromaticContact CD1-CE1 3.81Å; F113-F138 HydrophobicContact CD1-CE1 3.81Å; F113-F138 HydrophobicContact CD2-CE1 4.49Å; F113-F138 AromaticContact CE1-CE1 3.73Å; F113-F138 HydrophobicContact CE1-CE1 3.73Å; F113-F138 HydrophobicContact CE1-CZ 4.23Å; F113-F138 HydrophobicContact CE2-CE1 4.42Å; F113-F138 HydrophobicContact CE2-CZ 4.4Å; F113-F138 HydrophobicContact CG-CE1 4.2Å; F113-F138 HydrophobicContact CZ-CE1 4.05Å; F113-F138 HydrophobicContact CZ-CZ 4.1Å; I116-F138 HydrophobicContact CB-CB 3.81Å; I116-F138 HydrophobicContact CD1-CB 3.9Å; I116-F138 HydrophobicContact CG1-CB 3.92Å; T134-F138 HydrophobicContact CG2-CD2 4.19Å; T134-F138 HydrophobicContact CG2-CE2 4.34Å; T134-F138 WeakPolarHBondContact O-CD2 3.36Å; T134-F138 PolarHBondContact O-N 3.11Å; E135-F138 PolarHBondContact O-N 3.39Å; K136-F138 VanDerWaalsContact C-N 3.34Å; K136-F138 PolarHBondContact O-N 3.28Å; F138-R142 CarbonylContact C-O 3.55Å; F138-R142 WeakPolarHBondContact CA-O 3.39Å; F138-R142 HydrophobicContact CD1-CB 4.1Å; F138-R142 HydrophobicContact CD1-CG 4.02Å; F138-R142 HydrophobicContact CE1-CB 4.29Å; F138-R142 HydrophobicContact CE1-CG 3.98Å; F138-T144 HydrophobicContact CB-CG2 4.08Å; F138-T144 HydrophobicContact CD1-CG2 4.24Å
139T97.9Very high97.9Very high79 Ų7962 Ų6249%0.48529%0.29SS..Iπ-helixtrans-104.9-48.2170-55.70000110.9E135 K136 I137E135-T139 VanDerWaalsContact O-CB 3.29Å; E135-T139 WeakPolarHBondContact O-CB 3.09Å; E135-T139 PolarHBondContact O-N 2.81Å; E135-T139 VanDerWaalsContact O-N 3.09Å; E135-T139 PolarHBondContact O-OG1 2.86Å; K136-T139 PolarHBondContact O-N 3.39Å; I137-T139 VanDerWaalsContact C-N 3.29Å; I137-T139 PolarHBondContact O-N 2.85Å
140D97.8Very high98Very high103 Ų10357 Ų5755%0.55127%0.266SS*.Iπ-helixtrans-99.3-35-168.2-63.9-11.3000113.5K136K136-D140 HydrophobicContact CG-CB 4.48Å; K136-D140 WeakPolarHBondContact CG-OD2 3.26Å; K136-D140 WeakPolarHBondContact O-CB 3.32Å; K136-D140 PolarHBondContact O-N 3.18Å
141Y98Very high98.1Very high162 Ų16261.2 Ų61.264%0.63529%0.289SS*.Iπ-helixtrans-106.5-45.2-171.2-51.5-36.4000112.6K136 I137K136-Y141 WeakPolarHBondContact CE-OH 3.39Å; I137-Y141 HydrophobicContact CB-CD2 4.32Å; I137-Y141 HydrophobicContact CG1-CD2 3.98Å; I137-Y141 HydrophobicContact CG1-CE2 4.33Å; I137-Y141 PolarHBondContact O-N 3.45Å
142R98.1Very high98.2Very high77 Ų7761.6 Ų61.629%0.29130%0.297SS..SBendtrans-11794.1-178.9-177.250.4165.1801.3110.3F113 I137 F138 T144 Y499F113-R142 HydrophobicContact CD1-CG 4.49Å; F113-R142 HydrophobicContact CE1-CG 4.47Å; I137-R142 PolarHBondContact O-N 3.24Å; F138-R142 CarbonylContact C-O 3.55Å; F138-R142 WeakPolarHBondContact CA-O 3.39Å; F138-R142 HydrophobicContact CD1-CB 4.1Å; F138-R142 HydrophobicContact CD1-CG 4.02Å; F138-R142 HydrophobicContact CE1-CB 4.29Å; F138-R142 HydrophobicContact CE1-CG 3.98Å; R142-T144 PolarHBondContact O-N 3.4Å; R142-Y499 VanDerWaalsContact CZ-O 3.28Å; R142-Y499 PolarHBondContact NH1-O 3.1Å; R142-Y499 PolarHBondContact NH2-O 3.38Å
143K98.6Very high98.2Very high72 Ų7255 Ų5531%0.31327%0.265SS..  trans-53.8139.9170.7-171171.3-172.9177.20110.7Q147 D151 Y499K143-Q147 HydrophobicContact CG-CB 4.2Å; K143-Q147 HydrophobicContact CG-CG 4.42Å; K143-D151 WeakPolarHBondContact CE-OD2 3.24Å; K143-D151 IonicContact NZ-OD2 3.38Å; K143-D151 PolarHBondContact NZ-OD2 3.36Å; K143-Y499 HydrophobicContact CB-CD1 4.49Å; K143-Y499 HydrophobicContact CB-CE1 4.11Å; K143-Y499 HydrophobicContact CD-CE1 4.24Å; K143-Y499 HydrophobicContact CD-CE2 4.44Å; K143-Y499 HydrophobicContact CG-CE1 4.28Å
144T98.6Very high98.2Very high3 Ų351.3 Ų51.32%0.01825%0.253CS..  trans-99.2164.2-177590000112.4P112 F113 I116 F138 R142 N146 Q147 G148P112-T144 WeakPolarHBondContact O-CG2 3.47Å; F113-T144 WeakPolarHBondContact O-CA 3.23Å; F113-T144 WeakPolarHBondContact O-CB 3.21Å; I116-T144 HydrophobicContact CB-CG2 4.46Å; F138-T144 HydrophobicContact CB-CG2 4.08Å; F138-T144 HydrophobicContact CD1-CG2 4.24Å; R142-T144 PolarHBondContact O-N 3.4Å; T144-N146 PolarHBondContact O-N 3.19Å; T144-Q147 PolarHBondContact O-N 2.91Å; T144-Q147 PolarHBondContact OG1-N 3.02Å; T144-G148 PolarHBondContact O-N 3.18Å
145H98.5Very high98.3Very high0 Ų059.8 Ų59.80%028%0.284CS..Hα-helixtrans-52.8-51.8173.4163.267.2000111.5F113 Q147 G148 V149 P170 I492 H496F113-H145 PolarHBondContact O-N 3.46Å; H145-Q147 PolarHBondContact O-N 3.15Å; H145-G148 WeakPolarHBondContact O-CA 3.33Å; H145-G148 PolarHBondContact O-N 2.79Å; H145-V149 WeakPolarHBondContact CE1-CG2 3.31Å; H145-V149 WeakPolarHBondContact O-CG2 3.45Å; H145-V149 PolarHBondContact O-N 2.87Å; H145-P170 PolarHBondContact NE2-O 2.77Å; H145-I492 PolarHBondContact CE1-O 2.96Å; H145-I492 VanDerWaalsContact CE1-O 3.28Å; H145-H496 AromaticContact CE1-CD2 3.87Å; H145-H496 AromaticContact CG-CD2 3.97Å; H145-H496 VanDerWaalsContact ND1-CA 3.32Å; H145-H496 WeakPolarHBondContact ND1-CA 3.37Å; H145-H496 AromaticContact ND1-CD2 3.89Å; H145-H496 PolarHBondContact ND1-N 2.96Å; H145-H496 VanDerWaalsContact ND1-N 3.2Å; H145-H496 AromaticContact NE2-CD2 3.97Å
146N98.3Very high98.3Very high3 Ų361 Ų612%0.01629%0.29CS..Hα-helixtrans-54-50.8178.4174.4-104.4000112.9G114 M118 T144 G148 V149 F150 D171G114-N146 VanDerWaalsContact O-CB 3.3Å; G114-N146 WeakPolarHBondContact O-CB 3.43Å; G114-N146 PolarHBondContact O-N 3.47Å; M118-N146 HydrophobicContact CE-CB 3.31Å; M118-N146 WeakPolarHBondContact CE-ND2 3.31Å; T144-N146 PolarHBondContact O-N 3.19Å; N146-G148 VanDerWaalsContact C-N 3.26Å; N146-G148 PolarHBondContact O-N 3.47Å; N146-V149 PolarHBondContact O-N 3.23Å; N146-F150 WeakPolarHBondContact ND2-CD2 3.18Å; N146-F150 VanDerWaalsContact ND2-CE2 3.29Å; N146-F150 WeakPolarHBondContact ND2-CE2 3.48Å; N146-F150 WeakPolarHBondContact O-CD2 3.39Å; N146-F150 PolarHBondContact O-N 3.14Å; N146-D171 WeakPolarHBondContact CA-O 2.71Å; N146-D171 PolarHBondContact ND2-O 2.94Å
147Q98.5Very high98.3Very high74 Ų7457 Ų5735%0.34627%0.273SS..Hα-helixtrans-64-36.4179.5-168.76252.500111.3K143 T144 H145 D151K143-Q147 HydrophobicContact CG-CB 4.2Å; K143-Q147 HydrophobicContact CG-CG 4.42Å; T144-Q147 PolarHBondContact O-N 2.91Å; T144-Q147 PolarHBondContact OG1-N 3.02Å; H145-Q147 PolarHBondContact O-N 3.15Å; Q147-D151 PolarHBondContact NE2-OD1 2.84Å; Q147-D151 WeakPolarHBondContact O-CB 3.48Å; Q147-D151 PolarHBondContact O-N 3.4Å; Q147-D151 VanDerWaalsContact O-N 3.1Å
148G98.7Very high98.3Very high0 Ų056.7 Ų56.70%027%0.272CS..Hα-helixtrans-56.4-48.2172.200000113.1T144 H145 N146 A152 M495T144-G148 PolarHBondContact O-N 3.18Å; H145-G148 WeakPolarHBondContact O-CA 3.33Å; H145-G148 PolarHBondContact O-N 2.79Å; N146-G148 VanDerWaalsContact C-N 3.26Å; N146-G148 PolarHBondContact O-N 3.47Å; G148-A152 PolarHBondContact O-N 3.02Å; G148-M495 WeakPolarHBondContact O-CE 3.35Å
149V98.7Very high98.3Very high0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-63.7-50.4-179.9174.50000111.4H145 N146 D151 A152 Y153 D171 V491 I492 M495H145-V149 WeakPolarHBondContact CE1-CG2 3.31Å; H145-V149 WeakPolarHBondContact O-CG2 3.45Å; H145-V149 PolarHBondContact O-N 2.87Å; N146-V149 PolarHBondContact O-N 3.23Å; V149-D151 PolarHBondContact O-N 2.71Å; V149-A152 PolarHBondContact O-N 3.32Å; V149-Y153 HydrophobicContact CG1-CD1 3.73Å; V149-Y153 HydrophobicContact CG1-CD2 4.14Å; V149-Y153 HydrophobicContact CG1-CE1 3.31Å; V149-Y153 HydrophobicContact CG1-CE2 3.75Å; V149-Y153 HydrophobicContact CG1-CG 4.15Å; V149-Y153 PolarHBondContact O-N 3.21Å; V149-D171 HydrophobicContact CB-CB 4.47Å; V149-D171 HydrophobicContact CG1-CB 3.8Å; V149-V491 HydrophobicContact CG1-CG1 4.23Å; V149-I492 HydrophobicContact CG1-CG1 4.05Å; V149-I492 HydrophobicContact CG2-CG1 4.26Å; V149-M495 HydrophobicContact CG2-CB 3.71Å; V149-M495 HydrophobicContact CG2-CG 4.06Å
150F98.3Very high98.3Very high55 Ų5555.3 Ų55.324%0.24126%0.262CS..Hα-helixtrans-69.1-22.4-175.7-83.3-94000113.6N146 A152 L158 D171N146-F150 WeakPolarHBondContact ND2-CD2 3.18Å; N146-F150 VanDerWaalsContact ND2-CE2 3.29Å; N146-F150 WeakPolarHBondContact ND2-CE2 3.48Å; N146-F150 WeakPolarHBondContact O-CD2 3.39Å; N146-F150 PolarHBondContact O-N 3.14Å; F150-A152 VanDerWaalsContact C-N 3.32Å; F150-L158 HydrophobicContact CD1-CD2 4.01Å; F150-L158 HydrophobicContact CE1-CD2 3.86Å; F150-D171 HydrophobicContact CE2-CB 4.15Å
151D98.6Very high98.3Very high97 Ų9754.3 Ų54.352%0.51925%0.251SS..Hα-helixtrans-74-23.1171.2-72.5-5.2000113K143 Q147 V149K143-D151 WeakPolarHBondContact CE-OD2 3.24Å; K143-D151 IonicContact NZ-OD2 3.38Å; K143-D151 PolarHBondContact NZ-OD2 3.36Å; Q147-D151 PolarHBondContact NE2-OD1 2.84Å; Q147-D151 WeakPolarHBondContact O-CB 3.48Å; Q147-D151 PolarHBondContact O-N 3.4Å; Q147-D151 VanDerWaalsContact O-N 3.1Å; V149-D151 PolarHBondContact O-N 2.71Å
152A98.6Very high98.2Very high46 Ų4654.9 Ų54.938%0.3826%0.256SS..Hα-helixtrans-105.5-14.6-176.700000114.1G148 V149 F150 V491 M495G148-A152 PolarHBondContact O-N 3.02Å; V149-A152 PolarHBondContact O-N 3.32Å; F150-A152 VanDerWaalsContact C-N 3.32Å; A152-V491 HydrophobicContact CB-CG1 3.61Å; A152-V491 HydrophobicContact CB-CG2 4.48Å; A152-M495 HydrophobicContact CB-CE 3.59Å
153Y98.5Very high98.2Very high23 Ų2351.9 Ų51.99%0.0925%0.248CC..  trans-62.2139177-89.80.9000113.2V149 M157 L158 D171 V491 I492V149-Y153 HydrophobicContact CG1-CD1 3.73Å; V149-Y153 HydrophobicContact CG1-CD2 4.14Å; V149-Y153 HydrophobicContact CG1-CE1 3.31Å; V149-Y153 HydrophobicContact CG1-CE2 3.75Å; V149-Y153 HydrophobicContact CG1-CG 4.15Å; V149-Y153 PolarHBondContact O-N 3.21Å; Y153-M157 HydrophobicContact CD1-CB 4.42Å; Y153-M157 HydrophobicContact CD1-SD 3.63Å; Y153-M157 HydrophobicContact CE1-SD 4.19Å; Y153-M157 HydrophobicContact CG-CB 4.24Å; Y153-M157 HydrophobicContact CG-SD 4.18Å; Y153-L158 HydrophobicContact CD2-CD2 3.83Å; Y153-L158 HydrophobicContact CD2-CG 4.45Å; Y153-D171 HydrophobicContact CE2-CB 4.45Å; Y153-D171 PolarHBondContact OH-OD2 3.04Å; Y153-V491 HydrophobicContact CD1-CB 4.24Å; Y153-V491 HydrophobicContact CD1-CG1 3.89Å; Y153-V491 HydrophobicContact CE1-CB 4.25Å; Y153-V491 HydrophobicContact CE1-CG1 4.13Å; Y153-I492 HydrophobicContact CE1-CG1 4.32Å; Y153-I492 WeakPolarHBondContact OH-CD1 3.44Å
154S98.3Very high98.1Very high46 Ų4648.4 Ų48.432%0.32223%0.233SC..  trans-77162.4170.781.20000111.2E156 M157 L158S154-E156 PolarHBondContact O-N 3.31Å; S154-E156 PolarHBondContact OG-N 3.18Å; S154-M157 PolarHBondContact O-N 2.9Å; S154-M157 WeakPolarHBondContact OG-CG 3.14Å; S154-M157 PolarHBondContact OG-N 2.89Å; S154-L158 WeakPolarHBondContact O-CG 3.36Å; S154-L158 PolarHBondContact O-N 3.42Å
155R97.8Very high98.1Very high184 Ų18448.3 Ų48.369%0.69423%0.232SC*.Hα-helixtrans-59-36.2172.6-177.961.967.9-173.52.2111.9L158 N159R155-L158 PolarHBondContact O-N 3.3Å; R155-N159 PolarHBondContact O-N 2.61Å; R155-N159 PolarHBondContact O-OD1 2.93Å
156E98Very high98.1Very high84 Ų8448.5 Ų48.539%0.39323%0.233SC..Hα-helixtrans-62.6-47.7177.8-179177.7-139.400111.4S154 L158 N159 C160 W480 V484S154-E156 PolarHBondContact O-N 3.31Å; S154-E156 PolarHBondContact OG-N 3.18Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.01Å; E156-N159 WeakPolarHBondContact O-CB 3.46Å; E156-N159 PolarHBondContact O-N 3.02Å; E156-N159 VanDerWaalsContact O-N 3.08Å; E156-C160 PolarHBondContact O-N 3.31Å; E156-C160 PolarHBondContact O-SG 3.09Å; E156-W480 PolarHBondContact OE1-NE1 3.04Å; E156-V484 HydrophobicContact CG-CG1 4.43Å; E156-V484 HydrophobicContact CG-CG2 4.01Å
157M98.4Very high97.9Very high20 Ų2049 Ų4910%0.09924%0.236CC..Hα-helixtrans-57.5-44.4176.9-65168.817700111.5Y153 S154 N159 C160 R161 V484 N487 S488Y153-M157 HydrophobicContact CD1-CB 4.42Å; Y153-M157 HydrophobicContact CD1-SD 3.63Å; Y153-M157 HydrophobicContact CE1-SD 4.19Å; Y153-M157 HydrophobicContact CG-CB 4.24Å; Y153-M157 HydrophobicContact CG-SD 4.18Å; S154-M157 PolarHBondContact O-N 2.9Å; S154-M157 WeakPolarHBondContact OG-CG 3.14Å; S154-M157 PolarHBondContact OG-N 2.89Å; M157-N159 VanDerWaalsContact C-N 3.34Å; M157-N159 PolarHBondContact O-N 3.34Å; M157-C160 PolarHBondContact O-N 3.18Å; M157-R161 WeakPolarHBondContact O-CB 3.45Å; M157-R161 PolarHBondContact O-N 3.44Å; M157-V484 HydrophobicContact CG-CG1 4.24Å; M157-N487 VanDerWaalsContact CE-C 3.46Å; M157-N487 HydrophobicContact CE-CB 3.5Å; M157-N487 VanDerWaalsContact CE-CB 3.5Å; M157-S488 WeakPolarHBondContact CG-OG 3.28Å
158L98Very high97.6Very high49 Ų4945.7 Ų45.726%0.25722%0.222SC..Hα-helixtrans-63.7-38.1177-67.1172.8000112.4F150 Y153 S154 R155 E156 R161 K162F150-L158 HydrophobicContact CD1-CD2 4.01Å; F150-L158 HydrophobicContact CE1-CD2 3.86Å; Y153-L158 HydrophobicContact CD2-CD2 3.83Å; Y153-L158 HydrophobicContact CD2-CG 4.45Å; S154-L158 WeakPolarHBondContact O-CG 3.36Å; S154-L158 PolarHBondContact O-N 3.42Å; R155-L158 PolarHBondContact O-N 3.3Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.01Å; L158-R161 PolarHBondContact O-N 3.25Å; L158-K162 WeakPolarHBondContact O-CB 3.2Å; L158-K162 PolarHBondContact O-N 3.05Å
159N98Very high97.5Very high62 Ų6245.9 Ų45.933%0.33222%0.223SC..Hα-helixtrans-67-43.4176.7-70.5-11.2000111.1R155 E156 M157 R161 K162 A163 V453R155-N159 PolarHBondContact O-N 2.61Å; R155-N159 PolarHBondContact O-OD1 2.93Å; E156-N159 WeakPolarHBondContact O-CB 3.46Å; E156-N159 PolarHBondContact O-N 3.02Å; E156-N159 VanDerWaalsContact O-N 3.08Å; M157-N159 VanDerWaalsContact C-N 3.34Å; M157-N159 PolarHBondContact O-N 3.34Å; N159-R161 VanDerWaalsContact C-N 3.33Å; N159-R161 PolarHBondContact O-N 2.85Å; N159-K162 PolarHBondContact O-N 3.22Å; N159-A163 WeakPolarHBondContact O-CB 3.45Å; N159-A163 PolarHBondContact O-N 3.3Å; N159-V453 HydrophobicContact CB-CG1 4.43Å
160C98.5Very high97.4Very high1 Ų145.9 Ų45.91%0.00722%0.223CC..Hα-helixtrans-60.1-42.7175.4-69.50000112.3E156 M157 A163 G164 V165 I166 W480 V484E156-C160 PolarHBondContact O-N 3.31Å; E156-C160 PolarHBondContact O-SG 3.09Å; M157-C160 PolarHBondContact O-N 3.18Å; C160-A163 PolarHBondContact O-N 3.42Å; C160-G164 PolarHBondContact O-N 2.65Å; C160-G164 VanDerWaalsContact O-N 3.1Å; C160-V165 HydrophobicContact CB-CG1 3.6Å; C160-V165 PolarHBondContact O-N 3.09Å; C160-I166 CarbonylContact C-O 3.36Å; C160-I166 HydrophobicContact CB-CB 4.28Å; C160-I166 HydrophobicContact CB-CD1 4.42Å; C160-I166 PolarHBondContact O-N 3.45Å; C160-W480 VanDerWaalsContact SG-CH2 3.57Å; C160-W480 WeakPolarHBondContact SG-CZ2 3.37Å; C160-V484 HydrophobicContact CB-CG1 4.44Å
161R97.2Very high97.4Very high82 Ų8243.4 Ų43.431%0.30921%0.212SC..Hα-helixtrans-59.2-47.9173.8-169.2-178.1-173.6-75.51.7112.2M157 L158 N159 G164 I166 D171M157-R161 WeakPolarHBondContact O-CB 3.45Å; M157-R161 PolarHBondContact O-N 3.44Å; L158-R161 PolarHBondContact O-N 3.25Å; N159-R161 VanDerWaalsContact C-N 3.33Å; N159-R161 PolarHBondContact O-N 2.85Å; R161-G164 PolarHBondContact O-N 3.09Å; R161-I166 WeakPolarHBondContact CA-O 3.37Å; R161-I166 PolarHBondContact N-O 3.35Å; R161-D171 IonicContact CZ-OD1 2.6Å; R161-D171 IonicContact NE-OD1 2.73Å; R161-D171 IonicContact NE-OD2 2.64Å; R161-D171 PolarHBondContact NE-OD2 3.08Å; R161-D171 IonicContact NH2-OD1 2.86Å; R161-D171 PolarHBondContact NH2-OD1 3.49Å
162K96.7Very high97.1Very high174 Ų17440 Ų4076%0.75720%0.197SC*.Hα-helixtrans-63.3-43.9179.8-173.9178178.1-176.90112L158 N159 G164L158-K162 WeakPolarHBondContact O-CB 3.2Å; L158-K162 PolarHBondContact O-N 3.05Å; N159-K162 PolarHBondContact O-N 3.22Å; K162-G164 VanDerWaalsContact C-N 3.3Å; K162-G164 PolarHBondContact O-N 2.83Å
163A97.6Very high96.9Very high14 Ų1438.4 Ų38.412%0.11618%0.182CC..Hα-helixtrans-74.4-18.6-176.300000113.7N159 C160 K435 Y439 V453N159-A163 WeakPolarHBondContact O-CB 3.45Å; N159-A163 PolarHBondContact O-N 3.3Å; C160-A163 PolarHBondContact O-N 3.42Å; A163-K435 WeakPolarHBondContact O-CE 3.32Å; A163-Y439 WeakPolarHBondContact CB-OH 3.25Å; A163-V453 HydrophobicContact CB-CG1 4.07Å; A163-V453 HydrophobicContact CB-CG2 3.88Å
164G97Very high96.7Very high0 Ų037.4 Ų37.40%018%0.178CC..THydrogen-bonded Turntrans77.931-178.300000113.3C160 R161 K162 N432 Y607C160-G164 PolarHBondContact O-N 2.65Å; C160-G164 VanDerWaalsContact O-N 3.1Å; R161-G164 PolarHBondContact O-N 3.09Å; K162-G164 VanDerWaalsContact C-N 3.3Å; K162-G164 PolarHBondContact O-N 2.83Å; G164-N432 PolarHBondContact O-ND2 3.2Å; G164-N432 VanDerWaalsContact O-ND2 3.09Å; G164-Y607 WeakPolarHBondContact O-CD1 3.46Å; G164-Y607 WeakPolarHBondContact O-CE1 3.39Å
165V98.3Very high96.7Very high0 Ų035.2 Ų35.20%016%0.163CC..SBendtrans-91-33.1167.570.60000111.3C160 N432 K435 Y439 V453 W480 L481C160-V165 HydrophobicContact CB-CG1 3.6Å; C160-V165 PolarHBondContact O-N 3.09Å; V165-N432 WeakPolarHBondContact O-CB 3.19Å; V165-N432 PolarHBondContact O-N 3.21Å; V165-K435 HydrophobicContact CB-CD 3.94Å; V165-K435 HydrophobicContact CB-CG 4.41Å; V165-K435 HydrophobicContact CG2-CD 4.47Å; V165-K435 HydrophobicContact CG2-CG 4.43Å; V165-Y439 HydrophobicContact CB-CE2 4.21Å; V165-Y439 HydrophobicContact CG1-CE2 4.28Å; V165-Y439 HydrophobicContact CG2-CE2 4.32Å; V165-V453 HydrophobicContact CG1-CG1 4.49Å; V165-W480 HydrophobicContact CG1-CH2 4.05Å; V165-W480 HydrophobicContact CG2-CZ3 4.34Å; V165-L481 HydrophobicContact CG2-CD1 3.79Å
166I97.8Very high96.6Very high5 Ų526.6 Ų26.63%0.02613%0.131CC..BIsolated β-bridgetrans-137.4101.7168.2-59168.8000107C160 R161 L169 A431 L481 V484 Y485C160-I166 CarbonylContact C-O 3.36Å; C160-I166 HydrophobicContact CB-CB 4.28Å; C160-I166 HydrophobicContact CB-CD1 4.42Å; C160-I166 PolarHBondContact O-N 3.45Å; R161-I166 WeakPolarHBondContact CA-O 3.37Å; R161-I166 PolarHBondContact N-O 3.35Å; I166-L169 HydrophobicContact CG2-CD1 3.68Å; I166-L169 HydrophobicContact CG2-CD2 3.82Å; I166-L169 HydrophobicContact CG2-CG 3.88Å; I166-A431 HydrophobicContact CG1-CB 4.25Å; I166-L481 HydrophobicContact CD1-CD1 3.86Å; I166-L481 HydrophobicContact CG1-CD1 3.71Å; I166-V484 HydrophobicContact CD1-CB 4.05Å; I166-V484 HydrophobicContact CD1-CG1 3.9Å; I166-Y485 HydrophobicContact CD1-CG 4.48Å; I166-Y485 HydrophobicContact CG2-CD2 4.11Å; I166-Y485 HydrophobicContact CG2-CE2 4.48Å
167T94.2Very high96.6Very high13 Ų1322.7 Ų22.78%0.0811%0.113CC..  trans-138.5163.1-179.4-160.90000111.9L169 V606 Y607T167-L169 VanDerWaalsContact C-N 3.27Å; T167-L169 PolarHBondContact O-N 2.61Å; T167-V606 HydrophobicContact CG2-CG1 4.4Å; T167-Y607 HydrophobicContact CG2-CD1 4.02Å; T167-Y607 HydrophobicContact CG2-CE1 3.33Å; T167-Y607 PolarHBondContact N-OH 3.29Å; T167-Y607 PolarHBondContact O-OH 3.39Å
168G93.4Very high96.6Very high4 Ų421.8 Ų21.84%0.04111%0.108CC..  trans70.920.9179.200000114.1Y173 A429G168-Y173 PolarHBondContact O-OH 3.22Å; G168-A429 WeakPolarHBondContact O-CB 3.37Å
169L96.6Very high96.7Very high5 Ų519.4 Ų19.43%0.02610%0.096CC..  trans-61.6159.6170.2-55.8-169.4000110.7I166 T167 D171 Y173 G428 A429 Y485 L489 I492I166-L169 HydrophobicContact CG2-CD1 3.68Å; I166-L169 HydrophobicContact CG2-CD2 3.82Å; I166-L169 HydrophobicContact CG2-CG 3.88Å; T167-L169 VanDerWaalsContact C-N 3.27Å; T167-L169 PolarHBondContact O-N 2.61Å; L169-D171 PolarHBondContact O-N 3.33Å; L169-Y173 VanDerWaalsContact O-CE1 3.3Å; L169-Y173 WeakPolarHBondContact O-CE1 3.35Å; L169-G428 WeakPolarHBondContact CD2-O 3.44Å; L169-A429 HydrophobicContact CD2-CB 4.08Å; L169-Y485 HydrophobicContact CD2-CD2 4.36Å; L169-Y485 HydrophobicContact CD2-CE2 3.67Å; L169-L489 HydrophobicContact CD1-CD2 4.21Å; L169-L489 HydrophobicContact CD2-CD2 4.29Å; L169-I492 HydrophobicContact CB-CD1 3.57Å; L169-I492 HydrophobicContact CD1-CD1 3.86Å; L169-I492 HydrophobicContact CG-CD1 4.37Å
170P96.7Very high96.7Very high0 Ų016.5 Ų16.50%08%0.08CC..THydrogen-bonded Turntrans-7755.417927.7-26.9000112H145 Y173 R175 F427 I492H145-P170 PolarHBondContact NE2-O 2.77Å; P170-Y173 HydrophobicContact CB-CD2 4.16Å; P170-Y173 HydrophobicContact CB-CE2 3.61Å; P170-R175 HydrophobicContact CB-CB 4.19Å; P170-R175 HydrophobicContact CG-CB 4.36Å; P170-F427 HydrophobicContact CB-CD1 4.17Å; P170-F427 HydrophobicContact CG-CB 4.46Å; P170-F427 HydrophobicContact CG-CD1 3.88Å; P170-F427 WeakPolarHBondContact CG-O 3.25Å; P170-I492 HydrophobicContact CG-CG2 4.04Å; P170-I492 WeakPolarHBondContact O-CG2 3.37Å
171D96.4Very high96.7Very high3 Ų316.6 Ų16.62%0.0168%0.08CC..THydrogen-bonded Turntrans-93.8-7.7172.760.831000113N146 V149 F150 Y153 R161 L169 I492N146-D171 WeakPolarHBondContact CA-O 2.71Å; N146-D171 PolarHBondContact ND2-O 2.94Å; V149-D171 HydrophobicContact CB-CB 4.47Å; V149-D171 HydrophobicContact CG1-CB 3.8Å; F150-D171 HydrophobicContact CE2-CB 4.15Å; Y153-D171 HydrophobicContact CE2-CB 4.45Å; Y153-D171 PolarHBondContact OH-OD2 3.04Å; R161-D171 IonicContact CZ-OD1 2.6Å; R161-D171 IonicContact NE-OD1 2.73Å; R161-D171 IonicContact NE-OD2 2.64Å; R161-D171 PolarHBondContact NE-OD2 3.08Å; R161-D171 IonicContact NH2-OD1 2.86Å; R161-D171 PolarHBondContact NH2-OD1 3.49Å; L169-D171 PolarHBondContact O-N 3.33Å; D171-I492 HydrophobicContact CB-CD1 4.31Å; D171-I492 HydrophobicContact CB-CG1 4.34Å
172A93.3Very high96.8Very high24 Ų2412.7 Ų12.720%0.1987%0.066CC..SBendtrans-136.36.6-17100000113.7M118M118-A172 HydrophobicContact CE-CB 4.47Å; M118-A172 HydrophobicContact CG-CB 3.91Å; M118-A172 WeakPolarHBondContact CG-O 3.26Å; M118-A172 HydrophobicContact SD-CB 4.08Å
173Y93.9Very high96.9Very high14 Ų144.5 Ų4.56%0.0553%0.03CC..SBendtrans-156.8161.8179.355.2-91.8000108.9G168 L169 P170 A268 Y319 F323 F427G168-Y173 PolarHBondContact O-OH 3.22Å; L169-Y173 VanDerWaalsContact O-CE1 3.3Å; L169-Y173 WeakPolarHBondContact O-CE1 3.35Å; P170-Y173 HydrophobicContact CB-CD2 4.16Å; P170-Y173 HydrophobicContact CB-CE2 3.61Å; Y173-A268 HydrophobicContact CD2-CB 3.96Å; Y173-A268 HydrophobicContact CE2-CB 3.78Å; Y173-Y319 AromaticContact CD1-CD2 3.79Å; Y173-Y319 HydrophobicContact CD1-CD2 3.79Å; Y173-Y319 HydrophobicContact CD1-CE2 4.05Å; Y173-Y319 HydrophobicContact CD2-CD2 4.43Å; Y173-Y319 AromaticContact CD2-CE2 3.87Å; Y173-Y319 HydrophobicContact CD2-CE2 3.87Å; Y173-Y319 HydrophobicContact CE1-CD2 4.41Å; Y173-Y319 HydrophobicContact CE2-CE2 4.38Å; Y173-Y319 AromaticContact CG-CD2 3.82Å; Y173-Y319 HydrophobicContact CG-CD2 3.82Å; Y173-Y319 AromaticContact CG-CE2 3.7Å; Y173-Y319 HydrophobicContact CG-CE2 3.7Å; Y173-F323 AromaticContact CE1-CE2 3.97Å; Y173-F323 HydrophobicContact CE1-CE2 3.97Å; Y173-F323 HydrophobicContact CE2-CE2 4.22Å; Y173-F323 HydrophobicContact CE2-CZ 4.29Å; Y173-F323 AromaticContact CZ-CE2 3.72Å; Y173-F323 AromaticContact CZ-CZ 3.87Å; Y173-F323 WeakPolarHBondContact OH-CZ 3.36Å; Y173-F427 HydrophobicContact CE2-CD1 4.36Å; Y173-F427 HydrophobicContact CE2-CE1 4.05Å
174G94.7Very high97Very high1 Ų14.4 Ų4.41%0.013%0.027CC..BIsolated β-bridgetrans-60.3137.6178.200000112G176 N266 G267 A268G174-G176 VanDerWaalsContact C-N 3.31Å; G174-G176 PolarHBondContact O-N 3.45Å; G174-N266 PolarHBondContact N-O 3.41Å; G174-N266 PolarHBondContact N-OD1 3Å; G174-G267 CarbonylContact O-C 3.42Å; G174-G267 WeakPolarHBondContact O-CA 3.35Å; G174-A268 PolarHBondContact O-N 3.43Å
175R97.6Very high97.1Very high1 Ų14.4 Ų4.40%0.0043%0.027CC..  trans-62.9-33.8-174.666-174.3174.2-168.8-2.8113.8P170 F427 H496 D497 E502P170-R175 HydrophobicContact CB-CB 4.19Å; P170-R175 HydrophobicContact CG-CB 4.36Å; R175-F427 HydrophobicContact CB-CB 4.42Å; R175-F427 WeakPolarHBondContact O-CB 3.43Å; R175-F427 WeakPolarHBondContact O-CD1 3.48Å; R175-H496 PolarHBondContact N-NE2 3.34Å; R175-H496 PolarHBondContact NE-ND1 3.48Å; R175-D497 IonicContact CZ-OD1 3.4Å; R175-D497 VanDerWaalsContact CZ-OD1 3.23Å; R175-D497 IonicContact NH1-OD1 2.7Å; R175-D497 PolarHBondContact NH1-OD1 2.89Å; R175-D497 IonicContact NH2-OD1 3.49Å; R175-D497 PolarHBondContact NH2-OD1 3.45Å; R175-E502 WeakPolarHBondContact CG-OE1 3.29Å; R175-E502 IonicContact CZ-OE1 3.71Å; R175-E502 IonicContact CZ-OE2 2.75Å; R175-E502 IonicContact NE-OE1 3.5Å; R175-E502 PolarHBondContact NE-OE1 2.85Å; R175-E502 IonicContact NE-OE2 2.65Å; R175-E502 IonicContact NH2-OE1 2.86Å; R175-E502 PolarHBondContact NH2-OE1 2.89Å; R175-E502 IonicContact NH2-OE2 2.63Å; R175-E502 PolarHBondContact NH2-OE2 2.66Å
176G97Very high97.1Very high2 Ų24.4 Ų4.42%0.0213%0.027CC..  trans59.2-146.7-173.100000111.4G174 I178 A269G174-G176 VanDerWaalsContact C-N 3.31Å; G174-G176 PolarHBondContact O-N 3.45Å; G176-I178 PolarHBondContact O-N 3.34Å; G176-A269 WeakPolarHBondContact CA-O 3.37Å
177R97.9Very high97.1Very high3 Ų34.2 Ų4.21%0.0113%0.025CC..  trans57.334.8-178.3-65.2-63.7-156.686.60113.2A269 C413 S416 M418 Q425 F427 D656R177-A269 PolarHBondContact N-O 3.03Å; R177-C413 VanDerWaalsContact NE-CB 3.32Å; R177-S416 PolarHBondContact NH1-OG 3.31Å; R177-S416 PolarHBondContact NH2-OG 3.1Å; R177-M418 WeakPolarHBondContact O-CE 3.34Å; R177-Q425 HydrophobicContact CB-CB 4.14Å; R177-Q425 WeakPolarHBondContact CB-O 3.43Å; R177-Q425 PolarHBondContact O-N 3.16Å; R177-Q425 VanDerWaalsContact O-N 3.09Å; R177-F427 HydrophobicContact CB-CB 4.11Å; R177-F427 HydrophobicContact CG-CB 3.58Å; R177-F427 HydrophobicContact CG-CD2 3.74Å; R177-F427 HydrophobicContact CG-CG 3.83Å; R177-D656 IonicContact CZ-OD1 2.79Å; R177-D656 IonicContact CZ-OD2 3.48Å; R177-D656 IonicContact NH1-OD1 3.49Å; R177-D656 PolarHBondContact NH1-OD1 3.07Å; R177-D656 IonicContact NH1-OD2 3.56Å; R177-D656 PolarHBondContact NH1-OD2 3.02Å; R177-D656 IonicContact NH2-OD1 3.61Å; R177-D656 IonicContact NH2-OD2 2.67Å; R177-D656 PolarHBondContact NH2-OD2 3.07Å
178I98.7Very high97.3Very high0 Ų03.6 Ų3.60%02%0.022CC..BIsolated β-bridgetrans-127.3140.4172.9-60.2162.9000106.2G176 M424 E502 E505 M506G176-I178 PolarHBondContact O-N 3.34Å; I178-M424 HydrophobicContact CD1-CE 3.71Å; I178-M424 HydrophobicContact CD1-SD 4.5Å; I178-M424 HydrophobicContact CG1-CB 4.11Å; I178-M424 HydrophobicContact CG1-CE 3.63Å; I178-M424 HydrophobicContact CG1-SD 4.31Å; I178-E502 HydrophobicContact CD1-CB 3.93Å; I178-E502 HydrophobicContact CD1-CG 3.61Å; I178-E502 WeakPolarHBondContact CD1-OE1 3.34Å; I178-E505 HydrophobicContact CG2-CB 3.68Å; I178-M506 HydrophobicContact CG2-SD 4.1Å
179I98.8Very high97.5Very high0 Ų03.4 Ų3.40%02%0.02CC..  trans-130.298.7172.9-56.3178.6000107.3D181 Y182 A412 M418 I420 H509I179-D181 PolarHBondContact O-N 3.26Å; I179-Y182 HydrophobicContact CG2-CE2 4.07Å; I179-A412 HydrophobicContact CD1-CB 3.89Å; I179-A412 HydrophobicContact CG1-CB 4.18Å; I179-M418 HydrophobicContact CB-SD 3.78Å; I179-M418 HydrophobicContact CD1-CG 4.21Å; I179-M418 HydrophobicContact CD1-SD 3.81Å; I179-M418 HydrophobicContact CG1-CE 4.38Å; I179-M418 HydrophobicContact CG1-SD 3.62Å; I179-I420 HydrophobicContact CB-CD1 4.16Å; I179-I420 HydrophobicContact CD1-CD1 4.06Å; I179-I420 HydrophobicContact CG2-CD1 3.83Å; I179-H509 VanDerWaalsContact C-CE1 3.48Å; I179-H509 PolarHBondContact O-CE1 2.99Å; I179-H509 PolarHBondContact O-NE2 3.24Å
180G98.6Very high97.6Very high0 Ų03.1 Ų3.10%02%0.018CC..  trans-56.8138167.100000109.7Y182 E505G180-Y182 PolarHBondContact N-OH 2.85Å; G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; G180-Y182 WeakPolarHBondContact O-CE2 3.48Å; G180-Y182 VanDerWaalsContact O-CG 3.31Å; G180-Y182 PolarHBondContact O-N 3.1Å; G180-E505 WeakPolarHBondContact CA-O 3.16Å
181D98.9Very high97.7Very high3 Ų35.7 Ų5.72%0.0163%0.032CC..  trans-75.378.3175.4-171.2-2.3000110.1V26 I179 R183 R184 I420 L508V26-D181 WeakPolarHBondContact CG2-OD2 3.48Å; I179-D181 PolarHBondContact O-N 3.26Å; D181-R183 PolarHBondContact O-N 2.9Å; D181-R183 WeakPolarHBondContact OD1-CB 3.33Å; D181-R183 IonicContact OD1-CZ 2.64Å; D181-R183 IonicContact OD1-NE 3.28Å; D181-R183 PolarHBondContact OD1-NE 2.91Å; D181-R183 IonicContact OD1-NH2 2.7Å; D181-R183 PolarHBondContact OD1-NH2 3.26Å; D181-R183 IonicContact OD2-NH2 3.68Å; D181-R183 PolarHBondContact OD2-NH2 3.08Å; D181-R184 HydrophobicContact CB-CG 3.85Å; D181-R184 WeakPolarHBondContact O-CB 3.2Å; D181-R184 WeakPolarHBondContact O-CG 3.29Å; D181-R184 PolarHBondContact O-N 2.72Å; D181-R184 IonicContact OD2-NE 3.9Å; D181-R184 PolarHBondContact OD2-NE 2.95Å; D181-I420 HydrophobicContact CB-CG2 3.67Å; D181-L508 VanDerWaalsContact CB-O 3.29Å; D181-L508 WeakPolarHBondContact CB-O 3.3Å; D181-L508 PolarHBondContact N-O 3.05Å; D181-L508 VanDerWaalsContact N-O 3.12Å
182Y98.9Very high97.7Very high1 Ų16.6 Ų6.60%0.0044%0.036CC..THydrogen-bonded Turntrans-58.9-21.8-175.7-48.2-61.5000112.8I179 G180 R184 V185 A257 Y258 A261 L272 L508I179-Y182 HydrophobicContact CG2-CE2 4.07Å; G180-Y182 PolarHBondContact N-OH 2.85Å; G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; G180-Y182 WeakPolarHBondContact O-CE2 3.48Å; G180-Y182 VanDerWaalsContact O-CG 3.31Å; G180-Y182 PolarHBondContact O-N 3.1Å; Y182-R184 PolarHBondContact O-N 3.42Å; Y182-V185 PolarHBondContact O-N 3.49Å; Y182-A257 HydrophobicContact CD1-CB 4.09Å; Y182-Y258 HydrophobicContact CD2-CD2 4.14Å; Y182-Y258 HydrophobicContact CE1-CD2 4.2Å; Y182-Y258 AromaticContact CE2-CD2 3.59Å; Y182-Y258 HydrophobicContact CE2-CD2 3.59Å; Y182-Y258 HydrophobicContact CE2-CE2 4.39Å; Y182-Y258 HydrophobicContact CE2-CG 4.45Å; Y182-Y258 AromaticContact CZ-CD2 3.64Å; Y182-A261 HydrophobicContact CE1-CB 4.12Å; Y182-L272 HydrophobicContact CD2-CD1 4.28Å; Y182-L272 VanDerWaalsContact CD2-O 3.24Å; Y182-L272 WeakPolarHBondContact CD2-O 3.2Å; Y182-L272 WeakPolarHBondContact CE2-O 3.41Å; Y182-L508 HydrophobicContact CD1-CD1 3.68Å; Y182-L508 HydrophobicContact CE1-CD1 4.21Å
183R98.9Very high98Very high2 Ų25.7 Ų5.71%0.0083%0.028CC..Hα-helixtrans-64.2-27.8175-53.3169.5-64.2175.716.6111.9V26 D181 V185 A186 L187 L254 R274 T275 F278 D408V26-R183 HydrophobicContact CG1-CB 3.97Å; D181-R183 PolarHBondContact O-N 2.9Å; D181-R183 WeakPolarHBondContact OD1-CB 3.33Å; D181-R183 IonicContact OD1-CZ 2.64Å; D181-R183 IonicContact OD1-NE 3.28Å; D181-R183 PolarHBondContact OD1-NE 2.91Å; D181-R183 IonicContact OD1-NH2 2.7Å; D181-R183 PolarHBondContact OD1-NH2 3.26Å; D181-R183 IonicContact OD2-NH2 3.68Å; D181-R183 PolarHBondContact OD2-NH2 3.08Å; R183-V185 PolarHBondContact O-N 2.77Å; R183-A186 PolarHBondContact O-N 3.32Å; R183-L187 WeakPolarHBondContact O-CB 3.44Å; R183-L187 PolarHBondContact O-N 2.85Å; R183-L254 HydrophobicContact CB-CD1 4.47Å; R183-L254 HydrophobicContact CG-CD1 3.78Å; R183-R274 WeakPolarHBondContact CD-O 2.99Å; R183-R274 PolarHBondContact NH1-O 2.79Å; R183-T275 HydrophobicContact CG-CG2 4.2Å; R183-F278 HydrophobicContact CB-CD1 3.79Å; R183-F278 HydrophobicContact CB-CD2 4.12Å; R183-F278 HydrophobicContact CB-CE1 3.73Å; R183-F278 HydrophobicContact CB-CE2 4.06Å; R183-F278 HydrophobicContact CB-CG 4Å; R183-F278 HydrophobicContact CB-CZ 3.87Å; R183-F278 HydrophobicContact CG-CB 4.31Å; R183-F278 HydrophobicContact CG-CD1 3.63Å; R183-F278 HydrophobicContact CG-CD2 4.45Å; R183-F278 HydrophobicContact CG-CE1 4.04Å; R183-F278 HydrophobicContact CG-CG 3.87Å; R183-D408 IonicContact CZ-OD1 3.58Å; R183-D408 IonicContact CZ-OD2 2.72Å; R183-D408 IonicContact NH1-OD1 3.52Å; R183-D408 PolarHBondContact NH1-OD1 3.15Å; R183-D408 IonicContact NH1-OD2 3.77Å; R183-D408 IonicContact NH2-OD1 2.96Å; R183-D408 PolarHBondContact NH2-OD1 2.71Å; R183-D408 IonicContact NH2-OD2 3.15Å; R183-D408 PolarHBondContact NH2-OD2 3.2Å
184R98.8Very high98.2Very high12 Ų125.9 Ų5.95%0.0453%0.029CC..Hα-helixtrans-57.7-39176.9-69.2178.6-176.7-152.8-0.2111.7V24 V26 D181 Y182 L187 Y188 L193 G421 L508 H509 D510V24-R184 HydrophobicContact CG1-CG 3.89Å; V24-R184 VanDerWaalsContact CG1-CZ 3.44Å; V26-R184 HydrophobicContact CG2-CG 3.72Å; D181-R184 HydrophobicContact CB-CG 3.85Å; D181-R184 WeakPolarHBondContact O-CB 3.2Å; D181-R184 WeakPolarHBondContact O-CG 3.29Å; D181-R184 PolarHBondContact O-N 2.72Å; D181-R184 IonicContact OD2-NE 3.9Å; D181-R184 PolarHBondContact OD2-NE 2.95Å; Y182-R184 PolarHBondContact O-N 3.42Å; R184-L187 PolarHBondContact O-N 2.94Å; R184-Y188 HydrophobicContact CB-CD2 4.24Å; R184-Y188 WeakPolarHBondContact O-CB 3.34Å; R184-Y188 WeakPolarHBondContact O-CD2 3.28Å; R184-Y188 PolarHBondContact O-N 3Å; R184-L193 HydrophobicContact CB-CD1 3.94Å; R184-L193 HydrophobicContact CB-CD2 3.98Å; R184-G421 PolarHBondContact NH2-O 3Å; R184-L508 HydrophobicContact CB-CD2 4.43Å; R184-L508 PolarHBondContact NE-O 2.92Å; R184-H509 PolarHBondContact NH1-O 3.39Å; R184-D510 IonicContact CZ-OD1 2.77Å; R184-D510 IonicContact NH1-OD1 3.9Å; R184-D510 PolarHBondContact NH1-OD1 3.48Å; R184-D510 IonicContact NH2-OD1 3.67Å; R184-D510 PolarHBondContact NH2-OD1 3.07Å
185V98.8Very high98.3Very high0 Ų010.3 Ų10.30%05%0.05CC..Hα-helixtrans-65.1-45.9-179.4-179.30000110.1Y182 R183 G189 V190 L193 L229 W253 A257 L508Y182-V185 PolarHBondContact O-N 3.49Å; R183-V185 PolarHBondContact O-N 2.77Å; V185-G189 WeakPolarHBondContact O-CA 3.42Å; V185-G189 PolarHBondContact O-N 3.05Å; V185-V190 HydrophobicContact CG1-CG2 4.04Å; V185-L193 HydrophobicContact CG2-CD1 4.06Å; V185-L229 HydrophobicContact CG1-CD2 4.24Å; V185-L229 HydrophobicContact CG2-CD2 3.85Å; V185-W253 HydrophobicContact CG1-CB 4.17Å; V185-W253 HydrophobicContact CG1-CG 4.41Å; V185-A257 HydrophobicContact CB-CB 3.95Å; V185-A257 HydrophobicContact CG1-CB 4.4Å; V185-A257 HydrophobicContact CG2-CB 3.54Å; V185-L508 HydrophobicContact CG2-CD1 4.37Å; V185-L508 HydrophobicContact CG2-CD2 3.66Å
186A98.7Very high98.2Very high0 Ų012.7 Ų12.70%06%0.061CC..Hα-helixtrans-62.1-44.3174.900000112.5R183 A244 A250 W253 F278R183-A186 PolarHBondContact O-N 3.32Å; A186-A244 HydrophobicContact CB-CB 4.33Å; A186-A244 WeakPolarHBondContact O-CB 3.15Å; A186-A244 PolarHBondContact O-N 3.49Å; A186-A250 HydrophobicContact CB-CB 4.34Å; A186-A250 WeakPolarHBondContact CB-O 3.38Å; A186-W253 HydrophobicContact CB-CB 3.94Å; A186-F278 HydrophobicContact CB-CE1 3.97Å; A186-F278 HydrophobicContact CB-CZ 3.92Å
187L98.6Very high98.2Very high0 Ų013.1 Ų13.10%06%0.062CC..Hα-helixtrans-73-40.9-174.9-174.956.4000113.3W12 W20 V26 F29 R183 R184 P243 F278W12-L187 PolarHBondContact NE1-O 3.03Å; W20-L187 HydrophobicContact CE3-CD1 3.99Å; W20-L187 HydrophobicContact CE3-CD2 4.27Å; W20-L187 HydrophobicContact CE3-CG 4.37Å; W20-L187 HydrophobicContact CZ3-CD1 3.69Å; W20-L187 HydrophobicContact CZ3-CG 4.44Å; V26-L187 HydrophobicContact CG2-CD2 4.14Å; F29-L187 HydrophobicContact CB-CD2 3.69Å; F29-L187 HydrophobicContact CD1-CD1 4Å; F29-L187 HydrophobicContact CD1-CD2 3.92Å; F29-L187 HydrophobicContact CD2-CD1 3.67Å; F29-L187 HydrophobicContact CD2-CD2 4.3Å; F29-L187 HydrophobicContact CE1-CD1 4.03Å; F29-L187 HydrophobicContact CE2-CD1 3.7Å; F29-L187 HydrophobicContact CG-CD1 3.82Å; F29-L187 HydrophobicContact CG-CD2 3.7Å; F29-L187 HydrophobicContact CG-CG 4.45Å; F29-L187 HydrophobicContact CZ-CD1 3.87Å; R183-L187 WeakPolarHBondContact O-CB 3.44Å; R183-L187 PolarHBondContact O-N 2.85Å; R184-L187 PolarHBondContact O-N 2.94Å; L187-P243 WeakPolarHBondContact O-CB 3.22Å; L187-F278 HydrophobicContact CB-CE2 4.22Å; L187-F278 HydrophobicContact CB-CZ 4.28Å
188Y98.3Very high98.2Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-110.4-28.4-167.7-65.3-70.7000114.5H8 W12 W20 H23 V24 D25 V26 R184 F192 L193H8-Y188 PolarHBondContact NE2-O 3.11Å; W12-Y188 HydrophobicContact CH2-CD1 4.4Å; W12-Y188 HydrophobicContact CH2-CE1 4.47Å; W12-Y188 AromaticContact CZ2-CD1 3.96Å; W12-Y188 HydrophobicContact CZ2-CD1 3.96Å; W12-Y188 HydrophobicContact CZ2-CE1 4.22Å; W20-Y188 WeakPolarHBondContact O-CE1 3.36Å; W20-Y188 PolarHBondContact O-OH 2.65Å; W20-Y188 VanDerWaalsContact O-OH 3.04Å; H23-Y188 PolarHBondContact O-OH 3.44Å; V24-Y188 HydrophobicContact CB-CE2 4.34Å; V24-Y188 HydrophobicContact CG1-CD2 4.37Å; V24-Y188 HydrophobicContact CG1-CE2 3.88Å; D25-Y188 PolarHBondContact N-OH 3.39Å; V26-Y188 HydrophobicContact CG2-CE2 4.11Å; R184-Y188 HydrophobicContact CB-CD2 4.24Å; R184-Y188 WeakPolarHBondContact O-CB 3.34Å; R184-Y188 WeakPolarHBondContact O-CD2 3.28Å; R184-Y188 PolarHBondContact O-N 3Å; Y188-F192 AromaticContact CD1-CD1 3.58Å; Y188-F192 HydrophobicContact CD1-CD1 3.58Å; Y188-F192 AromaticContact CD1-CE1 3.55Å; Y188-F192 HydrophobicContact CD1-CE1 3.55Å; Y188-F192 HydrophobicContact CD1-CG 4.2Å; Y188-F192 HydrophobicContact CD1-CZ 4.16Å; Y188-F192 HydrophobicContact CE1-CD1 4.44Å; Y188-F192 AromaticContact CE1-CE1 3.98Å; Y188-F192 HydrophobicContact CE1-CE1 3.98Å; Y188-F192 HydrophobicContact CE1-CZ 4.39Å; Y188-F192 AromaticContact CG-CD1 3.75Å; Y188-F192 HydrophobicContact CG-CD1 3.75Å; Y188-F192 HydrophobicContact CG-CE1 4.06Å; Y188-F192 HydrophobicContact CG-CG 4.49Å; Y188-L193 HydrophobicContact CD2-CD2 4.14Å; Y188-L193 HydrophobicContact CG-CD2 4.35Å
189G98.1Very high98.1Very high0 Ų021.4 Ų21.40%010%0.102CC..  trans75.8157.6-163.300000112.3V185 D191 L193 R242V185-G189 WeakPolarHBondContact O-CA 3.42Å; V185-G189 PolarHBondContact O-N 3.05Å; G189-D191 PolarHBondContact O-N 3.48Å; G189-L193 WeakPolarHBondContact O-CG 3.07Å; G189-L193 PolarHBondContact O-N 2.99Å; G189-R242 VanDerWaalsContact CA-O 3.28Å; G189-R242 WeakPolarHBondContact CA-O 3.19Å
190V98.6Very high98Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-69.2-33.3-173.61780000112.5V185 F192 L193 M194 L226 L229 K230 L240 S241V185-V190 HydrophobicContact CG1-CG2 4.04Å; V190-F192 VanDerWaalsContact C-N 3.34Å; V190-F192 PolarHBondContact O-N 2.68Å; V190-L193 PolarHBondContact O-N 3.38Å; V190-M194 HydrophobicContact CG1-CG 3.99Å; V190-M194 HydrophobicContact CG1-SD 3.78Å; V190-M194 WeakPolarHBondContact O-CB 3.19Å; V190-M194 VanDerWaalsContact O-CG 3.31Å; V190-M194 WeakPolarHBondContact O-CG 3.24Å; V190-M194 PolarHBondContact O-N 3.28Å; V190-L226 HydrophobicContact CG1-CB 3.84Å; V190-L226 HydrophobicContact CG1-CD2 4.31Å; V190-L226 VanDerWaalsContact CG1-O 3.3Å; V190-L226 WeakPolarHBondContact CG1-O 3.47Å; V190-L229 HydrophobicContact CG2-CD2 3.87Å; V190-L229 HydrophobicContact CG2-CG 4.22Å; V190-K230 HydrophobicContact CB-CD 4.11Å; V190-K230 HydrophobicContact CB-CG 3.75Å; V190-K230 HydrophobicContact CG1-CD 3.88Å; V190-K230 HydrophobicContact CG1-CG 3.62Å; V190-K230 HydrophobicContact CG2-CG 4.18Å; V190-L240 WeakPolarHBondContact CB-O 3.07Å; V190-L240 HydrophobicContact CG2-CB 3.91Å; V190-L240 VanDerWaalsContact CG2-O 3.28Å; V190-L240 WeakPolarHBondContact CG2-O 3.13Å; V190-L240 PolarHBondContact N-O 3.08Å; V190-S241 PolarHBondContact N-O 3.32Å
191D97.9Very high97.9Very high54 Ų5425.7 Ų25.729%0.28912%0.123SC..Hα-helixtrans-64.5-40.9-178-76.26.2000111.6G189 M194 E195 K230 S241G189-D191 PolarHBondContact O-N 3.48Å; D191-M194 PolarHBondContact O-N 3.14Å; D191-E195 WeakPolarHBondContact O-CG 3.4Å; D191-E195 PolarHBondContact O-N 3.41Å; D191-K230 WeakPolarHBondContact OD1-CE 3.34Å; D191-K230 IonicContact OD1-NZ 3.61Å; D191-K230 PolarHBondContact OD1-NZ 3.29Å; D191-K230 IonicContact OD2-NZ 3.47Å; D191-S241 WeakPolarHBondContact CB-O 3.21Å; D191-S241 PolarHBondContact N-O 3.13Å
192F97Very high97.7Very high21 Ų2130.8 Ų30.89%0.09215%0.15CC..Hα-helixtrans-61.7-45.2174.7-177-86.3000111.3H8 V24 Y188 V190 M194 E195 E196H8-F192 AromaticContact CE1-CD2 3.74Å; V24-F192 HydrophobicContact CG2-CD1 4.39Å; V24-F192 HydrophobicContact CG2-CE1 3.77Å; Y188-F192 AromaticContact CD1-CD1 3.58Å; Y188-F192 HydrophobicContact CD1-CD1 3.58Å; Y188-F192 AromaticContact CD1-CE1 3.55Å; Y188-F192 HydrophobicContact CD1-CE1 3.55Å; Y188-F192 HydrophobicContact CD1-CG 4.2Å; Y188-F192 HydrophobicContact CD1-CZ 4.16Å; Y188-F192 HydrophobicContact CE1-CD1 4.44Å; Y188-F192 AromaticContact CE1-CE1 3.98Å; Y188-F192 HydrophobicContact CE1-CE1 3.98Å; Y188-F192 HydrophobicContact CE1-CZ 4.39Å; Y188-F192 AromaticContact CG-CD1 3.75Å; Y188-F192 HydrophobicContact CG-CD1 3.75Å; Y188-F192 HydrophobicContact CG-CE1 4.06Å; Y188-F192 HydrophobicContact CG-CG 4.49Å; V190-F192 VanDerWaalsContact C-N 3.34Å; V190-F192 PolarHBondContact O-N 2.68Å; F192-M194 VanDerWaalsContact C-N 3.31Å; F192-M194 PolarHBondContact O-N 3.17Å; F192-E195 WeakPolarHBondContact O-CB 3.39Å; F192-E195 PolarHBondContact O-N 2.92Å; F192-E196 HydrophobicContact CD1-CG 4.06Å; F192-E196 HydrophobicContact CE1-CG 3.66Å; F192-E196 HydrophobicContact CZ-CG 4.12Å; F192-E196 WeakPolarHBondContact O-CG 3.24Å; F192-E196 PolarHBondContact O-N 3.4Å
193L98.2Very high97.6Very high6 Ų635 Ų353%0.03118%0.176CC..Hα-helixtrans-65.2-35.7179.4-60.2174.8000112.2V24 R184 V185 Y188 G189 V190 K197 L226 L508V24-L193 HydrophobicContact CG2-CD2 4Å; R184-L193 HydrophobicContact CB-CD1 3.94Å; R184-L193 HydrophobicContact CB-CD2 3.98Å; V185-L193 HydrophobicContact CG2-CD1 4.06Å; Y188-L193 HydrophobicContact CD2-CD2 4.14Å; Y188-L193 HydrophobicContact CG-CD2 4.35Å; G189-L193 WeakPolarHBondContact O-CG 3.07Å; G189-L193 PolarHBondContact O-N 2.99Å; V190-L193 PolarHBondContact O-N 3.38Å; L193-K197 WeakPolarHBondContact O-CG 3.48Å; L193-K197 PolarHBondContact O-N 2.83Å; L193-L226 HydrophobicContact CB-CD1 4.08Å; L193-L226 HydrophobicContact CB-CD2 4.44Å; L193-L508 HydrophobicContact CD1-CD2 3.91Å
194M98.2Very high97.2Very high17 Ų1736.5 Ų36.58%0.08418%0.183CC..Hα-helixtrans-67.4-40.7173.8-73.3177.96800112V190 D191 F192 K197 M198 Y223 L226 K227 K230V190-M194 HydrophobicContact CG1-CG 3.99Å; V190-M194 HydrophobicContact CG1-SD 3.78Å; V190-M194 WeakPolarHBondContact O-CB 3.19Å; V190-M194 VanDerWaalsContact O-CG 3.31Å; V190-M194 WeakPolarHBondContact O-CG 3.24Å; V190-M194 PolarHBondContact O-N 3.28Å; D191-M194 PolarHBondContact O-N 3.14Å; F192-M194 VanDerWaalsContact C-N 3.31Å; F192-M194 PolarHBondContact O-N 3.17Å; M194-K197 PolarHBondContact O-N 3.3Å; M194-M198 WeakPolarHBondContact O-CB 3.34Å; M194-M198 PolarHBondContact O-N 2.97Å; M194-Y223 HydrophobicContact CB-CD2 4.09Å; M194-Y223 HydrophobicContact CB-CE2 3.72Å; M194-Y223 HydrophobicContact CE-CD1 4.11Å; M194-Y223 HydrophobicContact CE-CD2 4.25Å; M194-Y223 HydrophobicContact CE-CE1 3.5Å; M194-Y223 VanDerWaalsContact CE-CE1 3.5Å; M194-Y223 HydrophobicContact CE-CE2 3.67Å; M194-Y223 HydrophobicContact CE-CG 4.45Å; M194-Y223 WeakPolarHBondContact CE-OH 3.42Å; M194-Y223 HydrophobicContact CG-CD2 4.37Å; M194-Y223 HydrophobicContact CG-CE2 4.26Å; M194-Y223 WeakPolarHBondContact O-CE2 3.31Å; M194-L226 HydrophobicContact CG-CB 3.57Å; M194-L226 HydrophobicContact CG-CD1 3.87Å; M194-L226 HydrophobicContact CG-CG 4.36Å; M194-L226 HydrophobicContact SD-CB 4.16Å; M194-K227 HydrophobicContact CE-CB 4.07Å; M194-K227 HydrophobicContact SD-CB 4.47Å; M194-K230 HydrophobicContact SD-CD 4.34Å
195E97.4Very high96.8Very high95 Ų9538.8 Ų38.844%0.44420%0.201SC..Hα-helixtrans-59.6-45.8174-75.4179-179.900110.9D191 F192 M198 H199D191-E195 WeakPolarHBondContact O-CG 3.4Å; D191-E195 PolarHBondContact O-N 3.41Å; F192-E195 WeakPolarHBondContact O-CB 3.39Å; F192-E195 PolarHBondContact O-N 2.92Å; E195-M198 PolarHBondContact O-N 3.49Å; E195-H199 PolarHBondContact O-N 2.72Å
196E96.4Very high96.5Very high51 Ų5145.1 Ų45.124%0.23824%0.24CC..Hα-helixtrans-64.5-44.7177.8-67.5-70.596.400112.1V24 F192 M198 H199 D200V24-E196 HydrophobicContact CG2-CG 4.08Å; F192-E196 HydrophobicContact CD1-CG 4.06Å; F192-E196 HydrophobicContact CE1-CG 3.66Å; F192-E196 HydrophobicContact CZ-CG 4.12Å; F192-E196 WeakPolarHBondContact O-CG 3.24Å; F192-E196 PolarHBondContact O-N 3.4Å; E196-M198 VanDerWaalsContact C-N 3.29Å; E196-M198 PolarHBondContact O-N 3.21Å; E196-H199 WeakPolarHBondContact O-CB 3.16Å; E196-H199 PolarHBondContact O-N 2.81Å; E196-H199 VanDerWaalsContact O-N 3.09Å; E196-D200 PolarHBondContact O-N 3.4Å
197K97.2Very high96.3Very high11 Ų1152.2 Ų52.25%0.04827%0.273CS..Hα-helixtrans-63-36176.6-72.5-69.4172.9179.50112.8L193 M194 F201 L219 Q222 L226 A507 H509L193-K197 WeakPolarHBondContact O-CG 3.48Å; L193-K197 PolarHBondContact O-N 2.83Å; M194-K197 PolarHBondContact O-N 3.3Å; K197-F201 WeakPolarHBondContact O-CB 3.33Å; K197-F201 PolarHBondContact O-N 3.48Å; K197-L219 HydrophobicContact CD-CD2 3.87Å; K197-Q222 VanDerWaalsContact CE-OE1 3.25Å; K197-L226 HydrophobicContact CG-CD1 4.17Å; K197-A507 WeakPolarHBondContact CE-O 3.11Å; K197-H509 WeakPolarHBondContact CE-O 3.34Å; K197-H509 PolarHBondContact NZ-O 3.31Å
198M97.5Very high96.2Very high71 Ų7157 Ų5735%0.3530%0.297SS..Hα-helixtrans-70.2-36174.1-173.259.564.100111.5M194 E195 E196 F201 N202 Y223M194-M198 WeakPolarHBondContact O-CB 3.34Å; M194-M198 PolarHBondContact O-N 2.97Å; E195-M198 PolarHBondContact O-N 3.49Å; E196-M198 VanDerWaalsContact C-N 3.29Å; E196-M198 PolarHBondContact O-N 3.21Å; M198-F201 HydrophobicContact SD-CD1 4.49Å; M198-N202 WeakPolarHBondContact CG-ND2 3.19Å; M198-N202 WeakPolarHBondContact O-CB 3.3Å; M198-N202 VanDerWaalsContact O-CG 3.3Å; M198-N202 PolarHBondContact O-N 3.11Å; M198-N202 VanDerWaalsContact O-N 3.1Å; M198-N202 PolarHBondContact O-ND2 3.28Å; M198-Y223 HydrophobicContact CB-CD2 4.45Å; M198-Y223 HydrophobicContact CB-CE2 4.2Å; M198-Y223 HydrophobicContact CE-CD2 3.88Å; M198-Y223 HydrophobicContact CE-CE1 4.31Å; M198-Y223 HydrophobicContact CE-CE2 3.62Å; M198-Y223 HydrophobicContact CE-CG 4.32Å
199H96.6Very high96.1Very high106 Ų10659.3 Ų59.349%0.49131%0.313SS..Hα-helixtrans-61.6-48.6173.4-178.568.9000111.1E195 E196 F201 N202 T203E195-H199 PolarHBondContact O-N 2.72Å; E196-H199 WeakPolarHBondContact O-CB 3.16Å; E196-H199 PolarHBondContact O-N 2.81Å; E196-H199 VanDerWaalsContact O-N 3.09Å; H199-F201 PolarHBondContact O-N 3.22Å; H199-N202 PolarHBondContact O-N 3.08Å; H199-T203 WeakPolarHBondContact O-CG2 3.45Å; H199-T203 PolarHBondContact O-N 3.21Å; H199-T203 PolarHBondContact O-OG1 3.1Å
200D95.4Very high96Very high47 Ų4765.8 Ų65.825%0.25134%0.343SS..Hα-helixtrans-57.2-51.7176.6-71.3-9.9000110.5E196 N202 T203 M204 T511E196-D200 PolarHBondContact O-N 3.4Å; D200-N202 PolarHBondContact O-N 2.81Å; D200-N202 VanDerWaalsContact O-N 3.15Å; D200-T203 PolarHBondContact O-N 3.49Å; D200-T203 PolarHBondContact O-OG1 3.32Å; D200-T203 VanDerWaalsContact O-OG1 3.12Å; D200-M204 VanDerWaalsContact O-CG 3.32Å; D200-M204 WeakPolarHBondContact O-CG 3.44Å; D200-M204 PolarHBondContact O-N 3Å; D200-M204 VanDerWaalsContact O-N 3.14Å; D200-T511 HydrophobicContact CB-CG2 4.45Å; D200-T511 WeakPolarHBondContact CB-OG1 3.32Å; D200-T511 WeakPolarHBondContact OD2-CB 3.49Å; D200-T511 PolarHBondContact OD2-OG1 3.42Å
201F96.5Very high95.9Very high42 Ų4269.9 Ų69.918%0.18437%0.365CS..Hα-helixtrans-54.9-37.4178.4179.7-89.3000113.7K197 M198 H199 R216 L219 S220K197-F201 WeakPolarHBondContact O-CB 3.33Å; K197-F201 PolarHBondContact O-N 3.48Å; M198-F201 HydrophobicContact SD-CD1 4.49Å; H199-F201 PolarHBondContact O-N 3.22Å; F201-R216 HydrophobicContact CD2-CB 4.3Å; F201-R216 HydrophobicContact CD2-CG 4.43Å; F201-R216 HydrophobicContact CE2-CB 3.84Å; F201-R216 HydrophobicContact CE2-CG 4.22Å; F201-R216 WeakPolarHBondContact CE2-O 3.46Å; F201-R216 PolarHBondContact O-NH1 2.9Å; F201-L219 HydrophobicContact CB-CD1 4.21Å; F201-L219 HydrophobicContact CD2-CB 4.16Å; F201-S220 WeakPolarHBondContact CE2-OG 3.42Å
202N96.4Very high95.8Very high111 Ų11168 Ų6859%0.59436%0.356SS*.Hα-helixtrans-83.6-16-178.2-71.4-46.1000113.8M198 H199 D200M198-N202 WeakPolarHBondContact CG-ND2 3.19Å; M198-N202 WeakPolarHBondContact O-CB 3.3Å; M198-N202 VanDerWaalsContact O-CG 3.3Å; M198-N202 PolarHBondContact O-N 3.11Å; M198-N202 VanDerWaalsContact O-N 3.1Å; M198-N202 PolarHBondContact O-ND2 3.28Å; H199-N202 PolarHBondContact O-N 3.08Å; D200-N202 PolarHBondContact O-N 2.81Å; D200-N202 VanDerWaalsContact O-N 3.15Å
203T95Very high95.9Very high88 Ų8871.4 Ų71.454%0.5437%0.374SS..Hα-helixtrans-102.4-4.7-179.9550000113.6H199 D200H199-T203 WeakPolarHBondContact O-CG2 3.45Å; H199-T203 PolarHBondContact O-N 3.21Å; H199-T203 PolarHBondContact O-OG1 3.1Å; D200-T203 PolarHBondContact O-N 3.49Å; D200-T203 PolarHBondContact O-OG1 3.32Å; D200-T203 VanDerWaalsContact O-OG1 3.12Å
204M91.5Very high95.9Very high34 Ų3473.8 Ų73.817%0.16738%0.382CS..SBendtrans-57.3163.7172.6-73.3-174.979.400113.9D200 V212 L215 R216 L219D200-M204 VanDerWaalsContact O-CG 3.32Å; D200-M204 WeakPolarHBondContact O-CG 3.44Å; D200-M204 PolarHBondContact O-N 3Å; D200-M204 VanDerWaalsContact O-N 3.14Å; M204-V212 HydrophobicContact CE-CG1 4.25Å; M204-L215 HydrophobicContact CE-CB 3.81Å; M204-L215 HydrophobicContact CE-CD2 3.53Å; M204-L215 HydrophobicContact CE-CG 3.58Å; M204-L215 HydrophobicContact SD-CG 4.38Å; M204-R216 HydrophobicContact CE-CG 3.84Å; M204-R216 HydrophobicContact SD-CG 3.49Å; M204-R216 WeakPolarHBondContact SD-CG 3.34Å; M204-L219 HydrophobicContact CG-CD1 4.44Å; M204-L219 HydrophobicContact SD-CD1 3.45Å; M204-L219 WeakPolarHBondContact SD-CD1 3.38Å
205S90.7Very high95.8Very high60 Ų6073.9 Ų73.942%0.4238%0.383SS..  trans-49.3141.4174.8-174.30000112.4E207 M208S205-E207 VanDerWaalsContact C-N 3.33Å; S205-E207 PolarHBondContact OG-N 2.88Å; S205-E207 VanDerWaalsContact OG-N 3.12Å; S205-M208 WeakPolarHBondContact O-CE 3.47Å
206T91.7Very high95.8Very high133 Ų13372.2 Ų72.282%0.81637%0.373SS*.SBendtrans-83.7-12.2172.356.60000112.4
207E94.7Very high95.9Very high150 Ų15075.8 Ų75.870%0.70139%0.389SS*.SBendtrans-82.7127172.3-63.3-170.1168.600110.6S205 S209 V212S205-E207 VanDerWaalsContact C-N 3.33Å; S205-E207 PolarHBondContact OG-N 2.88Å; S205-E207 VanDerWaalsContact OG-N 3.12Å; E207-S209 PolarHBondContact O-N 3.42Å; E207-V212 WeakPolarHBondContact O-CG1 3.21Å
208M95.9Very high96Very high99 Ų9975.8 Ų75.849%0.48839%0.389SS..  trans-99.667.7-172.2-63.2-66.2137.100111.9S205 V212 I213S205-M208 WeakPolarHBondContact O-CE 3.47Å; M208-V212 HydrophobicContact CE-CG1 4.39Å; M208-V212 HydrophobicContact SD-CG1 4.22Å; M208-I213 HydrophobicContact CB-CD1 4.14Å; M208-I213 HydrophobicContact CB-CG1 4.05Å; M208-I213 HydrophobicContact SD-CG1 4.35Å
209S96.8Very high96Very high49 Ų4972.5 Ų72.534%0.34337%0.373SS..  trans-72.3165.5165.959.30000111.3E207 D211 V212 I213E207-S209 PolarHBondContact O-N 3.42Å; S209-D211 VanDerWaalsContact C-N 3.3Å; S209-D211 WeakPolarHBondContact CB-OD1 3.32Å; S209-D211 PolarHBondContact O-N 3.23Å; S209-D211 PolarHBondContact OG-OD1 2.59Å; S209-V212 PolarHBondContact O-N 3.05Å; S209-V212 VanDerWaalsContact OG-CG2 3.31Å; S209-V212 WeakPolarHBondContact OG-CG2 3.45Å; S209-I213 WeakPolarHBondContact O-CG1 3.47Å; S209-I213 PolarHBondContact O-N 2.96Å
210E97.2Very high96.1Very high136 Ų13669.6 Ų69.664%0.63637%0.365SS*.Hα-helixtrans-58.4-41.2-177.8-173.2-173.513900112.5I213 R214E210-I213 PolarHBondContact O-N 3.2Å; E210-R214 VanDerWaalsContact O-CB 3.26Å; E210-R214 WeakPolarHBondContact O-CB 3.43Å; E210-R214 PolarHBondContact O-N 2.82Å; E210-R214 IonicContact OE1-NH1 2.66Å
211D95.9Very high96.2Very high86 Ų8669.6 Ų69.646%0.4636%0.363SS..Hα-helixtrans-65.9-39.817758.7-54.5000112.6S209 L215S209-D211 VanDerWaalsContact C-N 3.3Å; S209-D211 WeakPolarHBondContact CB-OD1 3.32Å; S209-D211 PolarHBondContact O-N 3.23Å; S209-D211 PolarHBondContact OG-OD1 2.59Å; D211-L215 WeakPolarHBondContact O-CB 3.35Å; D211-L215 PolarHBondContact O-N 3.18Å
212V96.6Very high96.3Very high16 Ų1667.7 Ų67.710%0.09736%0.355CS..Hα-helixtrans-66.8-45.4175.1172.90000111M204 E207 M208 S209 R214 L215 R216M204-V212 HydrophobicContact CE-CG1 4.25Å; E207-V212 WeakPolarHBondContact O-CG1 3.21Å; M208-V212 HydrophobicContact CE-CG1 4.39Å; M208-V212 HydrophobicContact SD-CG1 4.22Å; S209-V212 PolarHBondContact O-N 3.05Å; S209-V212 VanDerWaalsContact OG-CG2 3.31Å; S209-V212 WeakPolarHBondContact OG-CG2 3.45Å; V212-R214 PolarHBondContact O-N 3.5Å; V212-L215 PolarHBondContact O-N 3.02Å; V212-R216 HydrophobicContact CG1-CG 4.42Å; V212-R216 WeakPolarHBondContact O-CB 3.33Å; V212-R216 VanDerWaalsContact O-CG 3.25Å; V212-R216 WeakPolarHBondContact O-CG 3.36Å; V212-R216 PolarHBondContact O-N 3.41Å
213I97.7Very high96.5Very high91 Ų9166.3 Ų66.347%0.46734%0.342SS..Hα-helixtrans-60.2-47.7177.9-67.5165.8000110.3M208 S209 E210 L215 R216 E217M208-I213 HydrophobicContact CB-CD1 4.14Å; M208-I213 HydrophobicContact CB-CG1 4.05Å; M208-I213 HydrophobicContact SD-CG1 4.35Å; S209-I213 WeakPolarHBondContact O-CG1 3.47Å; S209-I213 PolarHBondContact O-N 2.96Å; E210-I213 PolarHBondContact O-N 3.2Å; I213-L215 PolarHBondContact O-N 3.14Å; I213-R216 PolarHBondContact O-N 2.81Å; I213-E217 PolarHBondContact O-N 3.34Å
214R97.7Very high96.6Very high57 Ų5767.7 Ų67.722%0.21534%0.337CS..Hα-helixtrans-59.3-47.6178.4-178.7177.560.4-130.4-2.3111.6E210 V212 R216 E217 E218 R590E210-R214 VanDerWaalsContact O-CB 3.26Å; E210-R214 WeakPolarHBondContact O-CB 3.43Å; E210-R214 PolarHBondContact O-N 2.82Å; E210-R214 IonicContact OE1-NH1 2.66Å; V212-R214 PolarHBondContact O-N 3.5Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.63Å; R214-E217 PolarHBondContact O-N 3.07Å; R214-E218 WeakPolarHBondContact O-CG 3.42Å; R214-E218 PolarHBondContact O-N 2.83Å; R214-R590 VanDerWaalsContact CD-NH2 3.33Å; R214-R590 VanDerWaalsContact NE-CZ 3.34Å
215L97.3Very high97Very high18 Ų1866 Ų669%0.09433%0.329CS..Hα-helixtrans-65.5-35.4179.4-179.857.8000112M204 D211 V212 I213 E218 L219 T511 E512M204-L215 HydrophobicContact CE-CB 3.81Å; M204-L215 HydrophobicContact CE-CD2 3.53Å; M204-L215 HydrophobicContact CE-CG 3.58Å; M204-L215 HydrophobicContact SD-CG 4.38Å; D211-L215 WeakPolarHBondContact O-CB 3.35Å; D211-L215 PolarHBondContact O-N 3.18Å; V212-L215 PolarHBondContact O-N 3.02Å; I213-L215 PolarHBondContact O-N 3.14Å; L215-E218 PolarHBondContact O-N 3.39Å; L215-L219 HydrophobicContact CD1-CG 4.4Å; L215-L219 WeakPolarHBondContact O-CB 3.48Å; L215-L219 WeakPolarHBondContact O-CG 3.29Å; L215-L219 PolarHBondContact O-N 2.86Å; L215-T511 HydrophobicContact CD1-CG2 4.3Å; L215-T511 HydrophobicContact CD2-CG2 4.18Å; L215-T511 HydrophobicContact CG-CG2 4.47Å; L215-E512 VanDerWaalsContact CD2-OE1 3.25Å; L215-E512 WeakPolarHBondContact CD2-OE1 3.41Å
216R97.5Very high97.4Very high61 Ų6163.2 Ų63.223%0.2331%0.309CS..Hα-helixtrans-63.9-40.9173.7-73.4175.970.870.71.7112.7F201 M204 V212 I213 R214 S220F201-R216 HydrophobicContact CD2-CB 4.3Å; F201-R216 HydrophobicContact CD2-CG 4.43Å; F201-R216 HydrophobicContact CE2-CB 3.84Å; F201-R216 HydrophobicContact CE2-CG 4.22Å; F201-R216 WeakPolarHBondContact CE2-O 3.46Å; F201-R216 PolarHBondContact O-NH1 2.9Å; M204-R216 HydrophobicContact CE-CG 3.84Å; M204-R216 HydrophobicContact SD-CG 3.49Å; M204-R216 WeakPolarHBondContact SD-CG 3.34Å; V212-R216 HydrophobicContact CG1-CG 4.42Å; V212-R216 WeakPolarHBondContact O-CB 3.33Å; V212-R216 VanDerWaalsContact O-CG 3.25Å; V212-R216 WeakPolarHBondContact O-CG 3.36Å; V212-R216 PolarHBondContact O-N 3.41Å; I213-R216 PolarHBondContact O-N 2.81Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.63Å; R216-S220 PolarHBondContact O-N 3.02Å; R216-S220 VanDerWaalsContact O-N 3.09Å; R216-S220 PolarHBondContact O-OG 2.87Å
217E98.3Very high97.7Very high126 Ų12662.3 Ų62.359%0.58929%0.294SS*.Hα-helixtrans-63.8-47.7173.7-176.9176.5-150.300110.7I213 R214 L219 S220 E221I213-E217 PolarHBondContact O-N 3.34Å; R214-E217 PolarHBondContact O-N 3.07Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.47Å; E217-S220 WeakPolarHBondContact O-CB 3.41Å; E217-S220 PolarHBondContact O-N 3.35Å; E217-E221 PolarHBondContact O-N 2.96Å
218E98.5Very high97.9Very high10 Ų1056.5 Ų56.55%0.04727%0.267CS..Hα-helixtrans-55.8-45.9175.8-74.5175.3172.400111.9R214 L215 S220 E221 Q222 Y501 R590R214-E218 WeakPolarHBondContact O-CG 3.42Å; R214-E218 PolarHBondContact O-N 2.83Å; L215-E218 PolarHBondContact O-N 3.39Å; E218-S220 VanDerWaalsContact C-N 3.32Å; E218-S220 PolarHBondContact O-N 3.21Å; E218-E221 WeakPolarHBondContact O-CB 3.32Å; E218-E221 PolarHBondContact O-N 3.33Å; E218-Q222 WeakPolarHBondContact O-CB 3.25Å; E218-Q222 WeakPolarHBondContact O-CG 3.4Å; E218-Q222 PolarHBondContact O-N 2.98Å; E218-Y501 HydrophobicContact CB-CE1 3.84Å; E218-Y501 HydrophobicContact CB-CE2 4.42Å; E218-Y501 HydrophobicContact CG-CD1 4.27Å; E218-Y501 HydrophobicContact CG-CD2 4.24Å; E218-Y501 HydrophobicContact CG-CE1 3.81Å; E218-Y501 HydrophobicContact CG-CE2 3.76Å; E218-Y501 HydrophobicContact CG-CG 4.47Å; E218-R590 IonicContact OE1-CZ 2.71Å; E218-R590 IonicContact OE1-NH1 3.28Å; E218-R590 PolarHBondContact OE1-NH1 3.33Å; E218-R590 IonicContact OE1-NH2 2.94Å; E218-R590 PolarHBondContact OE1-NH2 3.44Å; E218-R590 IonicContact OE2-CZ 3.56Å; E218-R590 IonicContact OE2-NH1 3.61Å; E218-R590 IonicContact OE2-NH2 3.3Å; E218-R590 PolarHBondContact OE2-NH2 2.96Å
219L98.1Very high98.1Very high2 Ų251.8 Ų51.81%0.0124%0.244CC..Hα-helixtrans-63.2-36.2176-74175.9000112.9K197 F201 M204 L215 E217 E221 Q222 Y223 T511K197-L219 HydrophobicContact CD-CD2 3.87Å; F201-L219 HydrophobicContact CB-CD1 4.21Å; F201-L219 HydrophobicContact CD2-CB 4.16Å; M204-L219 HydrophobicContact CG-CD1 4.44Å; M204-L219 HydrophobicContact SD-CD1 3.45Å; M204-L219 WeakPolarHBondContact SD-CD1 3.38Å; L215-L219 HydrophobicContact CD1-CG 4.4Å; L215-L219 WeakPolarHBondContact O-CB 3.48Å; L215-L219 WeakPolarHBondContact O-CG 3.29Å; L215-L219 PolarHBondContact O-N 2.86Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.47Å; L219-E221 VanDerWaalsContact C-N 3.35Å; L219-Q222 PolarHBondContact O-N 3.43Å; L219-Y223 WeakPolarHBondContact O-CB 3.39Å; L219-Y223 PolarHBondContact O-N 3.34Å; L219-T511 HydrophobicContact CD1-CG2 3.99Å; L219-T511 HydrophobicContact CD2-CG2 3.99Å; L219-T511 WeakPolarHBondContact CD2-OG1 3.39Å; L219-T511 HydrophobicContact CG-CG2 4.39Å
220S98.3Very high98.1Very high45 Ų4551.5 Ų51.532%0.31524%0.237SC..Hα-helixtrans-67-39.2176.1-58.80000111.4F201 R216 E217 E218 R224F201-S220 WeakPolarHBondContact CE2-OG 3.42Å; R216-S220 PolarHBondContact O-N 3.02Å; R216-S220 VanDerWaalsContact O-N 3.09Å; R216-S220 PolarHBondContact O-OG 2.87Å; E217-S220 WeakPolarHBondContact O-CB 3.41Å; E217-S220 PolarHBondContact O-N 3.35Å; E218-S220 VanDerWaalsContact C-N 3.32Å; E218-S220 PolarHBondContact O-N 3.21Å; S220-R224 PolarHBondContact O-N 3.41Å; S220-R224 VanDerWaalsContact O-N 3.1Å
221E98.8Very high98.2Very high47 Ų4748.7 Ų48.722%0.2222%0.224CC..Hα-helixtrans-66.4-42.4173.6-75.7-50.6139.500112.3E217 E218 L219 R224 A225 R503E217-E221 PolarHBondContact O-N 2.96Å; E218-E221 WeakPolarHBondContact O-CB 3.32Å; E218-E221 PolarHBondContact O-N 3.33Å; L219-E221 VanDerWaalsContact C-N 3.35Å; E221-R224 PolarHBondContact O-N 2.97Å; E221-R224 IonicContact OE1-CZ 3.86Å; E221-R224 IonicContact OE1-NH1 3.59Å; E221-R224 PolarHBondContact OE1-NH1 2.83Å; E221-R224 IonicContact OE1-NH2 3.87Å; E221-R224 IonicContact OE2-CZ 3.3Å; E221-R224 IonicContact OE2-NH1 3.11Å; E221-R224 PolarHBondContact OE2-NH1 3.47Å; E221-A225 WeakPolarHBondContact O-CB 3.4Å; E221-A225 PolarHBondContact O-N 3.38Å; E221-R503 HydrophobicContact CB-CB 4.47Å; E221-R503 HydrophobicContact CB-CG 3.86Å; E221-R503 WeakPolarHBondContact OE2-CD 3.26Å; E221-R503 IonicContact OE2-NE 3.44Å; E221-R503 IonicContact OE2-NH1 2.68Å; E221-R503 PolarHBondContact OE2-NH1 3.41Å
222Q98.8Very high98.4Very high3 Ų344.7 Ų44.71%0.01420%0.202CC..Hα-helixtrans-59.6-46.5174.3-72.3173.428.400111.6K197 E218 L219 R224 A225 L226 Y501 M506 A507K197-Q222 VanDerWaalsContact CE-OE1 3.25Å; E218-Q222 WeakPolarHBondContact O-CB 3.25Å; E218-Q222 WeakPolarHBondContact O-CG 3.4Å; E218-Q222 PolarHBondContact O-N 2.98Å; L219-Q222 PolarHBondContact O-N 3.43Å; Q222-R224 VanDerWaalsContact C-N 3.29Å; Q222-R224 PolarHBondContact O-N 2.9Å; Q222-A225 PolarHBondContact O-N 3.17Å; Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 2.94Å; Q222-Y501 HydrophobicContact CG-CE1 4.31Å; Q222-Y501 PolarHBondContact NE2-OH 3.5Å; Q222-M506 HydrophobicContact CG-CB 4.11Å; Q222-M506 PolarHBondContact OE1-O 3.44Å; Q222-A507 HydrophobicContact CB-CB 3.61Å; Q222-A507 HydrophobicContact CG-CB 3.99Å; Q222-A507 WeakPolarHBondContact O-CB 3.43Å
223Y98.7Very high98.5Very high82 Ų8243.9 Ų43.932%0.32220%0.197SC..Hα-helixtrans-59.4-41176.1-177.3-86000111.8M194 M198 L219 L226 K227M194-Y223 HydrophobicContact CB-CD2 4.09Å; M194-Y223 HydrophobicContact CB-CE2 3.72Å; M194-Y223 HydrophobicContact CE-CD1 4.11Å; M194-Y223 HydrophobicContact CE-CD2 4.25Å; M194-Y223 HydrophobicContact CE-CE1 3.5Å; M194-Y223 VanDerWaalsContact CE-CE1 3.5Å; M194-Y223 HydrophobicContact CE-CE2 3.67Å; M194-Y223 HydrophobicContact CE-CG 4.45Å; M194-Y223 WeakPolarHBondContact CE-OH 3.42Å; M194-Y223 HydrophobicContact CG-CD2 4.37Å; M194-Y223 HydrophobicContact CG-CE2 4.26Å; M194-Y223 WeakPolarHBondContact O-CE2 3.31Å; M198-Y223 HydrophobicContact CB-CD2 4.45Å; M198-Y223 HydrophobicContact CB-CE2 4.2Å; M198-Y223 HydrophobicContact CE-CD2 3.88Å; M198-Y223 HydrophobicContact CE-CE1 4.31Å; M198-Y223 HydrophobicContact CE-CE2 3.62Å; M198-Y223 HydrophobicContact CE-CG 4.32Å; L219-Y223 WeakPolarHBondContact O-CB 3.39Å; L219-Y223 PolarHBondContact O-N 3.34Å; Y223-L226 PolarHBondContact O-N 3.42Å; Y223-K227 PolarHBondContact O-N 3.1Å
224R98.8Very high98.5Very high116 Ų11645.4 Ų45.444%0.43820%0.202SC..Hα-helixtrans-67.6-41.9177.1-163.9-179.6-56.8124.27.8111.9S220 E221 Q222 L226 K227 E228S220-R224 PolarHBondContact O-N 3.41Å; S220-R224 VanDerWaalsContact O-N 3.1Å; E221-R224 PolarHBondContact O-N 2.97Å; E221-R224 IonicContact OE1-CZ 3.86Å; E221-R224 IonicContact OE1-NH1 3.59Å; E221-R224 PolarHBondContact OE1-NH1 2.83Å; E221-R224 IonicContact OE1-NH2 3.87Å; E221-R224 IonicContact OE2-CZ 3.3Å; E221-R224 IonicContact OE2-NH1 3.11Å; E221-R224 PolarHBondContact OE2-NH1 3.47Å; Q222-R224 VanDerWaalsContact C-N 3.29Å; Q222-R224 PolarHBondContact O-N 2.9Å; R224-L226 VanDerWaalsContact C-N 3.31Å; R224-L226 PolarHBondContact O-N 3.12Å; R224-K227 WeakPolarHBondContact O-CB 3.35Å; R224-K227 PolarHBondContact O-N 3.38Å; R224-K227 VanDerWaalsContact O-N 3.09Å; R224-E228 WeakPolarHBondContact O-CG 3.13Å; R224-E228 PolarHBondContact O-N 3.42Å
225A98.9Very high98.5Very high0 Ų046 Ų460%021%0.207CC..Hα-helixtrans-62-38.2176.800000112.2I82 E221 Q222 K227 E228 L229 R503 I504I82-A225 HydrophobicContact CD1-CB 3.98Å; E221-A225 WeakPolarHBondContact O-CB 3.4Å; E221-A225 PolarHBondContact O-N 3.38Å; Q222-A225 PolarHBondContact O-N 3.17Å; A225-K227 VanDerWaalsContact C-N 3.34Å; A225-K227 PolarHBondContact O-N 2.84Å; A225-E228 PolarHBondContact O-N 3.02Å; A225-L229 PolarHBondContact O-N 3.46Å; A225-R503 HydrophobicContact CB-CB 3.68Å; A225-I504 HydrophobicContact CB-CB 4.04Å; A225-I504 HydrophobicContact CB-CD1 4.2Å
226L98.9Very high98.6Very high0 Ų045.9 Ų45.90%021%0.205CC..Hα-helixtrans-61.2-41.7171.6-72.9172000111.8V190 L193 M194 K197 Q222 Y223 R224 E228 L229 K230 I504 A507 L508V190-L226 HydrophobicContact CG1-CB 3.84Å; V190-L226 HydrophobicContact CG1-CD2 4.31Å; V190-L226 VanDerWaalsContact CG1-O 3.3Å; V190-L226 WeakPolarHBondContact CG1-O 3.47Å; L193-L226 HydrophobicContact CB-CD1 4.08Å; L193-L226 HydrophobicContact CB-CD2 4.44Å; M194-L226 HydrophobicContact CG-CB 3.57Å; M194-L226 HydrophobicContact CG-CD1 3.87Å; M194-L226 HydrophobicContact CG-CG 4.36Å; M194-L226 HydrophobicContact SD-CB 4.16Å; K197-L226 HydrophobicContact CG-CD1 4.17Å; Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 2.94Å; Y223-L226 PolarHBondContact O-N 3.42Å; R224-L226 VanDerWaalsContact C-N 3.31Å; R224-L226 PolarHBondContact O-N 3.12Å; L226-E228 PolarHBondContact O-N 2.67Å; L226-L229 WeakPolarHBondContact O-CB 3.25Å; L226-L229 PolarHBondContact O-N 3.43Å; L226-K230 PolarHBondContact O-N 3.48Å; L226-I504 HydrophobicContact CD2-CD1 4.22Å; L226-A507 HydrophobicContact CD1-CB 4.13Å; L226-A507 HydrophobicContact CD2-CB 4.08Å; L226-A507 HydrophobicContact CG-CB 3.77Å; L226-L508 HydrophobicContact CD2-CD2 4.15Å
227K98.7Very high98.6Very high115 Ų11546.1 Ų46.150%0.523%0.226SC..Hα-helixtrans-61.6-44.4174.7-173.1-177.2173.2-172.90111.9M194 Y223 R224 A225 L229 K230 E231M194-K227 HydrophobicContact CE-CB 4.07Å; M194-K227 HydrophobicContact SD-CB 4.47Å; Y223-K227 PolarHBondContact O-N 3.1Å; R224-K227 WeakPolarHBondContact O-CB 3.35Å; R224-K227 PolarHBondContact O-N 3.38Å; R224-K227 VanDerWaalsContact O-N 3.09Å; A225-K227 VanDerWaalsContact C-N 3.34Å; A225-K227 PolarHBondContact O-N 2.84Å; K227-L229 VanDerWaalsContact C-N 3.27Å; K227-L229 PolarHBondContact O-N 2.76Å; K227-K230 WeakPolarHBondContact O-CB 3.34Å; K227-K230 PolarHBondContact O-N 2.71Å; K227-K230 VanDerWaalsContact O-N 3.11Å; K227-E231 PolarHBondContact O-N 3.45Å
228E98.9Very high98.6Very high28 Ų2842.4 Ų42.413%0.13121%0.208CC..Hα-helixtrans-62-33.9175.4-69.6166.2-151.600112I82 T83 R224 A225 L226 K230 E231 L232 R503I82-E228 HydrophobicContact CB-CB 4Å; I82-E228 HydrophobicContact CD1-CB 4.12Å; I82-E228 HydrophobicContact CG2-CB 3.92Å; T83-E228 HydrophobicContact CG2-CB 3.96Å; T83-E228 HydrophobicContact CG2-CG 4.39Å; T83-E228 WeakPolarHBondContact CG2-O 3.23Å; R224-E228 WeakPolarHBondContact O-CG 3.13Å; R224-E228 PolarHBondContact O-N 3.42Å; A225-E228 PolarHBondContact O-N 3.02Å; L226-E228 PolarHBondContact O-N 2.67Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.14Å; E228-E231 WeakPolarHBondContact O-CB 3.46Å; E228-E231 PolarHBondContact O-N 3.02Å; E228-E231 VanDerWaalsContact O-N 3.17Å; E228-L232 PolarHBondContact O-N 2.84Å; E228-R503 IonicContact OE1-CZ 3.19Å; E228-R503 IonicContact OE1-NH1 3.26Å; E228-R503 PolarHBondContact OE1-NH1 3.37Å; E228-R503 IonicContact OE1-NH2 3.59Å; E228-R503 PolarHBondContact OE1-NH2 2.91Å; E228-R503 IonicContact OE2-CZ 2.76Å; E228-R503 IonicContact OE2-NH1 2.74Å; E228-R503 IonicContact OE2-NH2 3.77Å; E228-R503 PolarHBondContact OE2-NH2 3.12Å
229L98.9Very high98.6Very high0 Ų045.5 Ų45.50%023%0.225CC..Hα-helixtrans-61.9-37.8172.9173.262.3000111.8V185 V190 A225 L226 K227 E231 L232 G233 L240 L256 A257 A260 I504V185-L229 HydrophobicContact CG1-CD2 4.24Å; V185-L229 HydrophobicContact CG2-CD2 3.85Å; V190-L229 HydrophobicContact CG2-CD2 3.87Å; V190-L229 HydrophobicContact CG2-CG 4.22Å; A225-L229 PolarHBondContact O-N 3.46Å; L226-L229 WeakPolarHBondContact O-CB 3.25Å; L226-L229 PolarHBondContact O-N 3.43Å; K227-L229 VanDerWaalsContact C-N 3.27Å; K227-L229 PolarHBondContact O-N 2.76Å; L229-E231 VanDerWaalsContact C-N 3.33Å; L229-E231 PolarHBondContact O-N 2.92Å; L229-L232 HydrophobicContact CD1-CD2 4.3Å; L229-L232 WeakPolarHBondContact O-CB 3.44Å; L229-L232 PolarHBondContact O-N 2.68Å; L229-G233 PolarHBondContact O-N 2.9Å; L229-L240 HydrophobicContact CD1-CD1 3.79Å; L229-L240 HydrophobicContact CG-CD1 3.94Å; L229-L256 WeakPolarHBondContact CD1-O 3.19Å; L229-A257 HydrophobicContact CD2-CB 4.26Å; L229-A260 HydrophobicContact CD1-CB 3.89Å; L229-I504 HydrophobicContact CB-CD1 4.12Å; L229-I504 HydrophobicContact CD2-CD1 4.13Å
230K98.7Very high98.6Very high43 Ų4345.4 Ų45.419%0.18723%0.225CC..Hα-helixtrans-62.4-42.1172.9-65.5178.959.6169.60111.6V190 D191 M194 L226 K227 E228 L232 G233 Q234V190-K230 HydrophobicContact CB-CD 4.11Å; V190-K230 HydrophobicContact CB-CG 3.75Å; V190-K230 HydrophobicContact CG1-CD 3.88Å; V190-K230 HydrophobicContact CG1-CG 3.62Å; V190-K230 HydrophobicContact CG2-CG 4.18Å; D191-K230 WeakPolarHBondContact OD1-CE 3.34Å; D191-K230 IonicContact OD1-NZ 3.61Å; D191-K230 PolarHBondContact OD1-NZ 3.29Å; D191-K230 IonicContact OD2-NZ 3.47Å; M194-K230 HydrophobicContact SD-CD 4.34Å; L226-K230 PolarHBondContact O-N 3.48Å; K227-K230 WeakPolarHBondContact O-CB 3.34Å; K227-K230 PolarHBondContact O-N 2.71Å; K227-K230 VanDerWaalsContact O-N 3.11Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.14Å; K230-L232 VanDerWaalsContact C-N 3.34Å; K230-G233 PolarHBondContact O-N 3.38Å; K230-Q234 WeakPolarHBondContact O-CG 3.47Å; K230-Q234 PolarHBondContact O-N 3.05Å
231E98.7Very high98.6Very high77 Ų7744.2 Ų44.236%0.3622%0.216SC..Hα-helixtrans-63.2-40.7176.9-64.3175-160.800111.1T83 K227 E228 L229 G233 Q234 K235T83-E231 HydrophobicContact CG2-CB 3.79Å; K227-E231 PolarHBondContact O-N 3.45Å; E228-E231 WeakPolarHBondContact O-CB 3.46Å; E228-E231 PolarHBondContact O-N 3.02Å; E228-E231 VanDerWaalsContact O-N 3.17Å; L229-E231 VanDerWaalsContact C-N 3.33Å; L229-E231 PolarHBondContact O-N 2.92Å; E231-G233 PolarHBondContact O-N 3.37Å; E231-Q234 WeakPolarHBondContact O-CB 3.29Å; E231-Q234 PolarHBondContact O-N 3.33Å; E231-K235 PolarHBondContact O-N 2.86Å
232L98.8Very high98.5Very high1 Ų144 Ų441%0.00521%0.214CC..Hα-helixtrans-59-46.5171.8176.163.4000111.4I82 E228 L229 K230 Q234 K235 Y236 L259 A260 K263I82-L232 HydrophobicContact CG2-CB 4.08Å; I82-L232 HydrophobicContact CG2-CD2 4.23Å; E228-L232 PolarHBondContact O-N 2.84Å; L229-L232 HydrophobicContact CD1-CD2 4.3Å; L229-L232 WeakPolarHBondContact O-CB 3.44Å; L229-L232 PolarHBondContact O-N 2.68Å; K230-L232 VanDerWaalsContact C-N 3.34Å; L232-Q234 VanDerWaalsContact C-N 3.31Å; L232-Q234 PolarHBondContact O-N 3.35Å; L232-K235 WeakPolarHBondContact O-CB 3.22Å; L232-K235 PolarHBondContact O-N 3.15Å; L232-Y236 HydrophobicContact CD1-CD2 4.15Å; L232-Y236 HydrophobicContact CD1-CE2 3.88Å; L232-Y236 PolarHBondContact O-N 3.05Å; L232-L259 HydrophobicContact CD1-CD2 4.48Å; L232-L259 HydrophobicContact CD2-CB 4.49Å; L232-L259 HydrophobicContact CD2-CD2 4.39Å; L232-L259 HydrophobicContact CD2-CG 4.33Å; L232-A260 HydrophobicContact CD2-CB 3.89Å; L232-K263 HydrophobicContact CD1-CD 4.11Å; L232-K263 HydrophobicContact CD2-CD 4.31Å
233G98.7Very high98.5Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-55.2-46.6174.500000112.4L229 K230 E231 K235 Y236 G237 F238L229-G233 PolarHBondContact O-N 2.9Å; K230-G233 PolarHBondContact O-N 3.38Å; E231-G233 PolarHBondContact O-N 3.37Å; G233-K235 VanDerWaalsContact C-N 3.33Å; G233-K235 PolarHBondContact O-N 3.27Å; G233-Y236 CarbonylContact O-C 3.51Å; G233-Y236 PolarHBondContact O-N 2.99Å; G233-G237 PolarHBondContact O-N 2.81Å; G233-F238 CarbonylContact C-O 3.47Å; G233-F238 PolarHBondContact O-N 2.93Å
234Q98.4Very high98.5Very high123 Ų12340 Ų4058%0.57520%0.198SC*.Hα-helixtrans-61.4-37.8179.2-71.8170.8-0.600112.7K230 E231 L232 Y236 G237 F238K230-Q234 WeakPolarHBondContact O-CG 3.47Å; K230-Q234 PolarHBondContact O-N 3.05Å; E231-Q234 WeakPolarHBondContact O-CB 3.29Å; E231-Q234 PolarHBondContact O-N 3.33Å; L232-Q234 VanDerWaalsContact C-N 3.31Å; L232-Q234 PolarHBondContact O-N 3.35Å; Q234-Y236 PolarHBondContact O-N 3.03Å; Q234-G237 PolarHBondContact O-N 3.44Å; Q234-F238 PolarHBondContact N-O 3.29Å
235K98.3Very high98.4Very high70 Ų7038 Ų3830%0.30419%0.193SC..Hα-helixtrans-58.3-32.6174.6-71.4-169.2173.8-148.80112.5T83 H85 D86 A87 E231 L232 G233T83-K235 WeakPolarHBondContact O-CE 3.43Å; T83-K235 PolarHBondContact O-NZ 3.15Å; H85-K235 WeakPolarHBondContact O-CD 3.04Å; H85-K235 PolarHBondContact O-NZ 3Å; D86-K235 IonicContact OD1-NZ 3.6Å; D86-K235 PolarHBondContact OD1-NZ 2.95Å; A87-K235 WeakPolarHBondContact CB-O 3.39Å; E231-K235 PolarHBondContact O-N 2.86Å; L232-K235 WeakPolarHBondContact O-CB 3.22Å; L232-K235 PolarHBondContact O-N 3.15Å; G233-K235 VanDerWaalsContact C-N 3.33Å; G233-K235 PolarHBondContact O-N 3.27Å
236Y98.5Very high98.3Very high14 Ų1440.5 Ų40.56%0.05521%0.207CC..THydrogen-bonded Turntrans-940.8176.3-74.6-85.7000113.9A87 G88 Y89 V98 G99 V100 L232 G233 Q234 F238 L256 L259A87-Y236 HydrophobicContact CB-CD1 3.79Å; A87-Y236 HydrophobicContact CB-CD2 4.24Å; A87-Y236 HydrophobicContact CB-CE1 3.57Å; A87-Y236 HydrophobicContact CB-CE2 4.06Å; A87-Y236 HydrophobicContact CB-CG 4.12Å; G88-Y236 PolarHBondContact N-OH 2.98Å; G88-Y236 VanDerWaalsContact N-OH 3.08Å; G88-Y236 WeakPolarHBondContact O-CE1 3.37Å; Y89-Y236 AromaticContact CE1-CD1 3.93Å; Y89-Y236 HydrophobicContact CE1-CD1 3.93Å; Y89-Y236 HydrophobicContact CE1-CE1 4.11Å; Y89-Y236 AromaticContact CZ-CD1 3.94Å; V98-Y236 HydrophobicContact CB-CD1 4.1Å; V98-Y236 HydrophobicContact CG2-CD1 3.7Å; V98-Y236 HydrophobicContact CG2-CG 4.32Å; G99-Y236 VanDerWaalsContact CA-CE1 3.43Å; V100-Y236 PolarHBondContact N-OH 3.41Å; V100-Y236 VanDerWaalsContact N-OH 3.08Å; V100-Y236 PolarHBondContact O-OH 3.1Å; L232-Y236 HydrophobicContact CD1-CD2 4.15Å; L232-Y236 HydrophobicContact CD1-CE2 3.88Å; L232-Y236 PolarHBondContact O-N 3.05Å; G233-Y236 CarbonylContact O-C 3.51Å; G233-Y236 PolarHBondContact O-N 2.99Å; Q234-Y236 PolarHBondContact O-N 3.03Å; Y236-F238 WeakPolarHBondContact O-CE2 3.02Å; Y236-L256 HydrophobicContact CD2-CD2 4.09Å; Y236-L256 HydrophobicContact CG-CD2 4.41Å; Y236-L259 HydrophobicContact CE2-CD2 4.25Å
237G97.9Very high98.3Very high66 Ų6640.5 Ų40.568%0.6821%0.207SC*.THydrogen-bonded Turntrans85.318.3179.100000115.1G233 Q234G233-G237 PolarHBondContact O-N 2.81Å; Q234-G237 PolarHBondContact O-N 3.44Å
238F98.4Very high98.3Very high48 Ų4839.5 Ų39.521%0.21120%0.203CC..  trans-110.5136.7178.7-60.3-77.7000112.1V98 G233 Q234 Y236 L240 Q252 W253 L256V98-F238 HydrophobicContact CG2-CE2 3.51Å; V98-F238 HydrophobicContact CG2-CZ 4.1Å; G233-F238 CarbonylContact C-O 3.47Å; G233-F238 PolarHBondContact O-N 2.93Å; Q234-F238 PolarHBondContact N-O 3.29Å; Y236-F238 WeakPolarHBondContact O-CE2 3.02Å; F238-L240 HydrophobicContact CB-CD2 4.24Å; F238-L240 PolarHBondContact O-N 2.74Å; F238-Q252 HydrophobicContact CD1-CG 4.07Å; F238-Q252 HydrophobicContact CD2-CG 3.99Å; F238-Q252 HydrophobicContact CE1-CG 3.78Å; F238-Q252 HydrophobicContact CE2-CG 3.71Å; F238-Q252 HydrophobicContact CG-CG 4.17Å; F238-Q252 HydrophobicContact CZ-CG 3.59Å; F238-W253 HydrophobicContact CB-CH2 4.21Å; F238-W253 HydrophobicContact CB-CZ3 4.19Å; F238-W253 AromaticContact CD1-CH2 3.91Å; F238-W253 HydrophobicContact CD1-CH2 3.91Å; F238-W253 AromaticContact CD1-CZ3 3.51Å; F238-W253 HydrophobicContact CD1-CZ3 3.51Å; F238-W253 HydrophobicContact CE1-CZ3 4.26Å; F238-W253 HydrophobicContact CG-CH2 4.49Å; F238-W253 HydrophobicContact CG-CZ3 4.12Å; F238-L256 HydrophobicContact CB-CD1 4.25Å; F238-L256 HydrophobicContact CD2-CD1 3.83Å; F238-L256 HydrophobicContact CG-CD1 4.26Å
239D98.2Very high98.3Very high76 Ų7639.6 Ų39.641%0.40620%0.203SC..  trans-94.189.9172-178.514.1000110.7S241 R242 W253D239-S241 PolarHBondContact O-N 2.56Å; D239-S241 WeakPolarHBondContact OD1-CB 3.43Å; D239-S241 PolarHBondContact OD1-N 2.92Å; D239-S241 PolarHBondContact OD1-OG 3.19Å; D239-S241 PolarHBondContact OD2-OG 3.34Å; D239-R242 WeakPolarHBondContact O-CG 3.47Å; D239-W253 WeakPolarHBondContact O-CZ2 3.24Å
240L98.4Very high98.3Very high0 Ų039.6 Ų39.60%020%0.203CC..THydrogen-bonded Turntrans-72.9-0.2178.5-57-176.2000113.5V190 L229 F238 R242 W253 L256V190-L240 WeakPolarHBondContact CB-O 3.07Å; V190-L240 HydrophobicContact CG2-CB 3.91Å; V190-L240 VanDerWaalsContact CG2-O 3.28Å; V190-L240 WeakPolarHBondContact CG2-O 3.13Å; V190-L240 PolarHBondContact N-O 3.08Å; L229-L240 HydrophobicContact CD1-CD1 3.79Å; L229-L240 HydrophobicContact CG-CD1 3.94Å; F238-L240 HydrophobicContact CB-CD2 4.24Å; F238-L240 PolarHBondContact O-N 2.74Å; L240-R242 PolarHBondContact O-N 3.36Å; L240-W253 HydrophobicContact CD2-CB 4.28Å; L240-W253 HydrophobicContact CD2-CD2 3.37Å; L240-W253 VanDerWaalsContact CD2-CE2 3.5Å; L240-W253 HydrophobicContact CD2-CE3 3.89Å; L240-W253 HydrophobicContact CD2-CG 3.53Å; L240-W253 HydrophobicContact CD2-CZ2 4.13Å; L240-W253 HydrophobicContact CD2-CZ3 4.48Å; L240-L256 HydrophobicContact CD1-CB 3.94Å; L240-L256 HydrophobicContact CD1-CD1 4.12Å; L240-L256 HydrophobicContact CD2-CD1 4.09Å; L240-L256 HydrophobicContact CG-CD1 4.48Å
241S98Very high98.3Very high19 Ų1937.6 Ų37.613%0.13319%0.194CC..THydrogen-bonded Turntrans-59.5-35.4176.469.90000112.3V190 D191 D239V190-S241 PolarHBondContact N-O 3.32Å; D191-S241 WeakPolarHBondContact CB-O 3.21Å; D191-S241 PolarHBondContact N-O 3.13Å; D239-S241 PolarHBondContact O-N 2.56Å; D239-S241 WeakPolarHBondContact OD1-CB 3.43Å; D239-S241 PolarHBondContact OD1-N 2.92Å; D239-S241 PolarHBondContact OD1-OG 3.19Å; D239-S241 PolarHBondContact OD2-OG 3.34Å
242R97.1Very high98.4Very high44 Ų4434 Ų3417%0.16618%0.177CC..SBendtrans-98.8159-177.663.2161.7179.182.2-6.3112.5N7 G189 D239 L240 E245 E249 W253N7-R242 HydrophobicContact CB-CB 4.43Å; G189-R242 VanDerWaalsContact CA-O 3.28Å; G189-R242 WeakPolarHBondContact CA-O 3.19Å; D239-R242 WeakPolarHBondContact O-CG 3.47Å; L240-R242 PolarHBondContact O-N 3.36Å; R242-E245 IonicContact NE-OE1 2.82Å; R242-E249 IonicContact CZ-OE1 2.7Å; R242-E249 IonicContact CZ-OE2 3.42Å; R242-E249 IonicContact NH1-OE1 3.96Å; R242-E249 IonicContact NH1-OE2 3.69Å; R242-E249 PolarHBondContact NH1-OE2 3.02Å; R242-E249 IonicContact NH2-OE1 3.45Å; R242-E249 PolarHBondContact NH2-OE1 2.86Å; R242-E249 IonicContact NH2-OE2 3.72Å; R242-E249 PolarHBondContact NH2-OE2 3.27Å; R242-W253 PolarHBondContact O-NE1 3.29Å
243P98.1Very high98.4Very high1 Ų134 Ų341%0.00618%0.177CC..PPolyproline II helixtrans-59.8159.2167.630.9-42.5000112.2A11 L187A11-P243 HydrophobicContact CB-CB 3.84Å; A11-P243 HydrophobicContact CB-CG 3.41Å; A11-P243 VanDerWaalsContact CB-CG 3.41Å; L187-P243 WeakPolarHBondContact O-CB 3.22Å
244A98.3Very high98.4Very high0 Ų034 Ų340%018%0.177CC..PPolyproline II helixtrans-70.6133.2172.600000111.3A186 E249 A250 W253 Y282A186-A244 HydrophobicContact CB-CB 4.33Å; A186-A244 WeakPolarHBondContact O-CB 3.15Å; A186-A244 PolarHBondContact O-N 3.49Å; A244-E249 HydrophobicContact CB-CB 3.75Å; A244-A250 HydrophobicContact CB-CB 4.07Å; A244-W253 HydrophobicContact CB-CD2 4.37Å; A244-W253 HydrophobicContact CB-CG 4.22Å; A244-Y282 HydrophobicContact CB-CE1 4.5Å
245E97.5Very high98.4Very high73 Ų7328.2 Ų28.234%0.34115%0.15SC..  trans-95.2-18.3-174.9-71179.1176.900113.6A11 R242 E249 R285A11-E245 HydrophobicContact CB-CG 3.97Å; R242-E245 IonicContact NE-OE1 2.82Å; E245-E249 WeakPolarHBondContact CB-OE2 3.34Å; E245-E249 PolarHBondContact N-OE2 3.48Å; E245-R285 PolarHBondContact O-NH2 3.38Å
246N98Very high98.4Very high53 Ų5324.9 Ų24.928%0.28314%0.136SC..SBendtrans-147.7175.8-17761.360.4000111K248 E249 A250 D286N246-K248 WeakPolarHBondContact OD1-CB 3.22Å; N246-K248 PolarHBondContact OD1-N 2.97Å; N246-K248 VanDerWaalsContact OD1-N 3.13Å; N246-E249 PolarHBondContact O-N 2.96Å; N246-E249 WeakPolarHBondContact OD1-CG 3.29Å; N246-E249 PolarHBondContact OD1-N 2.92Å; N246-A250 WeakPolarHBondContact O-CB 3.46Å; N246-A250 PolarHBondContact O-N 2.7Å; N246-D286 WeakPolarHBondContact CB-OD2 3.38Å
247F98.7Very high98.5Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-60.8-45.2-178.6175.5-118.4000113.2E249 A250 V251 L279 A283 D286 I292 V297 I300 I301F247-E249 VanDerWaalsContact C-N 3.31Å; F247-E249 PolarHBondContact O-N 3.27Å; F247-A250 PolarHBondContact O-N 3.16Å; F247-A250 VanDerWaalsContact O-N 3.14Å; F247-V251 HydrophobicContact CD2-CG2 4.07Å; F247-V251 HydrophobicContact CE1-CG2 4.43Å; F247-V251 HydrophobicContact CE2-CG2 3.59Å; F247-V251 HydrophobicContact CZ-CG2 3.8Å; F247-V251 WeakPolarHBondContact O-CG2 3.42Å; F247-V251 PolarHBondContact O-N 3.04Å; F247-L279 WeakPolarHBondContact CD2-O 3.11Å; F247-L279 HydrophobicContact CE2-CB 4.22Å; F247-A283 HydrophobicContact CD1-CB 4.37Å; F247-A283 HydrophobicContact CD2-CB 3.65Å; F247-A283 HydrophobicContact CE1-CB 4.44Å; F247-A283 HydrophobicContact CE2-CB 3.73Å; F247-A283 HydrophobicContact CG-CB 3.98Å; F247-A283 HydrophobicContact CZ-CB 4.13Å; F247-D286 WeakPolarHBondContact CB-OD2 3.21Å; F247-D286 PolarHBondContact N-OD2 3.37Å; F247-I292 HydrophobicContact CD1-CD1 4.08Å; F247-V297 HydrophobicContact CD1-CG1 4.39Å; F247-V297 HydrophobicContact CD1-CG2 4.28Å; F247-V297 HydrophobicContact CE1-CB 4.15Å; F247-V297 HydrophobicContact CE1-CG1 3.66Å; F247-V297 HydrophobicContact CE1-CG2 4.27Å; F247-V297 HydrophobicContact CZ-CG1 3.92Å; F247-I300 HydrophobicContact CD1-CB 4.43Å; F247-I300 HydrophobicContact CD1-CD1 3.75Å; F247-I300 HydrophobicContact CD1-CG2 4.19Å; F247-I300 HydrophobicContact CE1-CB 3.78Å; F247-I300 HydrophobicContact CE1-CD1 3.95Å; F247-I300 HydrophobicContact CE1-CG1 4.49Å; F247-I300 HydrophobicContact CE1-CG2 3.6Å; F247-I300 HydrophobicContact CZ-CG2 4.06Å; F247-I301 HydrophobicContact CE2-CD1 4.37Å; F247-I301 HydrophobicContact CZ-CD1 3.69Å; F247-I301 HydrophobicContact CZ-CG1 3.99Å
248K98.8Very high98.5Very high94 Ų9421.1 Ų21.141%0.40910%0.101SC..Hα-helixtrans-58.5-45.4178.2-174.4-179.3-177177.50111T96 I97 N246 Q252 I300T96-K248 WeakPolarHBondContact O-CE 3.39Å; I97-K248 HydrophobicContact CD1-CG 4.48Å; N246-K248 WeakPolarHBondContact OD1-CB 3.22Å; N246-K248 PolarHBondContact OD1-N 2.97Å; N246-K248 VanDerWaalsContact OD1-N 3.13Å; K248-Q252 VanDerWaalsContact O-CB 3.29Å; K248-Q252 WeakPolarHBondContact O-CB 3.42Å; K248-Q252 PolarHBondContact O-N 3.35Å; K248-I300 HydrophobicContact CB-CD1 3.87Å; K248-I300 HydrophobicContact CG-CD1 4.22Å
249E98.7Very high98.5Very high30 Ų3018.8 Ų18.814%0.149%0.091CC..Hα-helixtrans-66.6-39.5175.8-68.8-170.2165.800112.3R242 A244 E245 N246 F247 V251 Q252 W253R242-E249 IonicContact CZ-OE1 2.7Å; R242-E249 IonicContact CZ-OE2 3.42Å; R242-E249 IonicContact NH1-OE1 3.96Å; R242-E249 IonicContact NH1-OE2 3.69Å; R242-E249 PolarHBondContact NH1-OE2 3.02Å; R242-E249 IonicContact NH2-OE1 3.45Å; R242-E249 PolarHBondContact NH2-OE1 2.86Å; R242-E249 IonicContact NH2-OE2 3.72Å; R242-E249 PolarHBondContact NH2-OE2 3.27Å; A244-E249 HydrophobicContact CB-CB 3.75Å; E245-E249 WeakPolarHBondContact CB-OE2 3.34Å; E245-E249 PolarHBondContact N-OE2 3.48Å; N246-E249 PolarHBondContact O-N 2.96Å; N246-E249 WeakPolarHBondContact OD1-CG 3.29Å; N246-E249 PolarHBondContact OD1-N 2.92Å; F247-E249 VanDerWaalsContact C-N 3.31Å; F247-E249 PolarHBondContact O-N 3.27Å; E249-V251 VanDerWaalsContact C-N 3.29Å; E249-V251 PolarHBondContact O-N 3.24Å; E249-Q252 PolarHBondContact O-N 3.44Å; E249-W253 HydrophobicContact CB-CD2 4.36Å; E249-W253 HydrophobicContact CB-CE3 3.75Å; E249-W253 HydrophobicContact CB-CH2 4.09Å; E249-W253 HydrophobicContact CB-CZ3 3.59Å; E249-W253 HydrophobicContact CG-CE3 4.21Å; E249-W253 HydrophobicContact CG-CH2 3.78Å; E249-W253 HydrophobicContact CG-CZ3 3.51Å; E249-W253 VanDerWaalsContact O-CB 3.31Å; E249-W253 WeakPolarHBondContact O-CB 3.34Å; E249-W253 PolarHBondContact O-N 3.49Å
250A98.9Very high98.6Very high0 Ų015.2 Ų15.20%07%0.071CC..Hα-helixtrans-61-41.8179.300000111.4A186 A244 N246 F247 L254 L279 Y282A186-A250 HydrophobicContact CB-CB 4.34Å; A186-A250 WeakPolarHBondContact CB-O 3.38Å; A244-A250 HydrophobicContact CB-CB 4.07Å; N246-A250 WeakPolarHBondContact O-CB 3.46Å; N246-A250 PolarHBondContact O-N 2.7Å; F247-A250 PolarHBondContact O-N 3.16Å; F247-A250 VanDerWaalsContact O-N 3.14Å; A250-L254 VanDerWaalsContact O-CB 3.26Å; A250-L254 WeakPolarHBondContact O-CB 3.35Å; A250-L254 PolarHBondContact O-N 2.63Å; A250-L279 HydrophobicContact CB-CD2 4.18Å; A250-Y282 HydrophobicContact CB-CD1 3.76Å; A250-Y282 HydrophobicContact CB-CD2 3.74Å; A250-Y282 HydrophobicContact CB-CE1 4.04Å; A250-Y282 HydrophobicContact CB-CE2 4.04Å; A250-Y282 HydrophobicContact CB-CG 3.59Å
251V99Very high98.6Very high0 Ų015.2 Ų15.20%07%0.071CC..Hα-helixtrans-66.9-45.9174179.20000110.9I97 F247 E249 Y255 L279 I300 F304I97-V251 HydrophobicContact CD1-CB 3.88Å; I97-V251 HydrophobicContact CD1-CG1 3.6Å; I97-V251 HydrophobicContact CG1-CG1 3.86Å; F247-V251 HydrophobicContact CD2-CG2 4.07Å; F247-V251 HydrophobicContact CE1-CG2 4.43Å; F247-V251 HydrophobicContact CE2-CG2 3.59Å; F247-V251 HydrophobicContact CZ-CG2 3.8Å; F247-V251 WeakPolarHBondContact O-CG2 3.42Å; F247-V251 PolarHBondContact O-N 3.04Å; E249-V251 VanDerWaalsContact C-N 3.29Å; E249-V251 PolarHBondContact O-N 3.24Å; V251-Y255 WeakPolarHBondContact O-CB 3.41Å; V251-Y255 PolarHBondContact O-N 2.9Å; V251-L279 HydrophobicContact CG2-CD1 4.13Å; V251-L279 HydrophobicContact CG2-CD2 3.84Å; V251-L279 HydrophobicContact CG2-CG 4.44Å; V251-I300 HydrophobicContact CB-CG2 3.96Å; V251-I300 HydrophobicContact CG1-CG2 4.02Å; V251-I300 HydrophobicContact CG2-CG2 3.79Å; V251-F304 HydrophobicContact CG1-CB 3.6Å; V251-F304 HydrophobicContact CG1-CD1 4.12Å; V251-F304 HydrophobicContact CG1-CD2 3.99Å; V251-F304 HydrophobicContact CG1-CG 3.64Å
252Q98.9Very high98.6Very high1 Ų114.3 Ų14.31%0.0057%0.065CC..Hα-helixtrans-67-39.3-177.9-176.66677.500113.2I97 V98 F238 K248 E249 Y255 L256I97-Q252 HydrophobicContact CD1-CB 4.01Å; V98-Q252 PolarHBondContact O-NE2 2.69Å; F238-Q252 HydrophobicContact CD1-CG 4.07Å; F238-Q252 HydrophobicContact CD2-CG 3.99Å; F238-Q252 HydrophobicContact CE1-CG 3.78Å; F238-Q252 HydrophobicContact CE2-CG 3.71Å; F238-Q252 HydrophobicContact CG-CG 4.17Å; F238-Q252 HydrophobicContact CZ-CG 3.59Å; K248-Q252 VanDerWaalsContact O-CB 3.29Å; K248-Q252 WeakPolarHBondContact O-CB 3.42Å; K248-Q252 PolarHBondContact O-N 3.35Å; E249-Q252 PolarHBondContact O-N 3.44Å; Q252-Y255 PolarHBondContact O-N 2.94Å; Q252-L256 HydrophobicContact CG-CD1 4.08Å; Q252-L256 WeakPolarHBondContact O-CB 3.28Å; Q252-L256 WeakPolarHBondContact O-CG 3.4Å; Q252-L256 PolarHBondContact O-N 2.7Å
253W98.9Very high98.7Very high1 Ų112.2 Ų12.20%0.0046%0.057CC..Hα-helixtrans-66.3-46.9178.2-90.9-129.6000110.1V185 A186 F238 D239 L240 R242 A244 E249 Y255 L256 A257V185-W253 HydrophobicContact CG1-CB 4.17Å; V185-W253 HydrophobicContact CG1-CG 4.41Å; A186-W253 HydrophobicContact CB-CB 3.94Å; F238-W253 HydrophobicContact CB-CH2 4.21Å; F238-W253 HydrophobicContact CB-CZ3 4.19Å; F238-W253 AromaticContact CD1-CH2 3.91Å; F238-W253 HydrophobicContact CD1-CH2 3.91Å; F238-W253 AromaticContact CD1-CZ3 3.51Å; F238-W253 HydrophobicContact CD1-CZ3 3.51Å; F238-W253 HydrophobicContact CE1-CZ3 4.26Å; F238-W253 HydrophobicContact CG-CH2 4.49Å; F238-W253 HydrophobicContact CG-CZ3 4.12Å; D239-W253 WeakPolarHBondContact O-CZ2 3.24Å; L240-W253 HydrophobicContact CD2-CB 4.28Å; L240-W253 HydrophobicContact CD2-CD2 3.37Å; L240-W253 VanDerWaalsContact CD2-CE2 3.5Å; L240-W253 HydrophobicContact CD2-CE3 3.89Å; L240-W253 HydrophobicContact CD2-CG 3.53Å; L240-W253 HydrophobicContact CD2-CZ2 4.13Å; L240-W253 HydrophobicContact CD2-CZ3 4.48Å; R242-W253 PolarHBondContact O-NE1 3.29Å; A244-W253 HydrophobicContact CB-CD2 4.37Å; A244-W253 HydrophobicContact CB-CG 4.22Å; E249-W253 HydrophobicContact CB-CD2 4.36Å; E249-W253 HydrophobicContact CB-CE3 3.75Å; E249-W253 HydrophobicContact CB-CH2 4.09Å; E249-W253 HydrophobicContact CB-CZ3 3.59Å; E249-W253 HydrophobicContact CG-CE3 4.21Å; E249-W253 HydrophobicContact CG-CH2 3.78Å; E249-W253 HydrophobicContact CG-CZ3 3.51Å; E249-W253 VanDerWaalsContact O-CB 3.31Å; E249-W253 WeakPolarHBondContact O-CB 3.34Å; E249-W253 PolarHBondContact O-N 3.49Å; W253-Y255 VanDerWaalsContact C-N 3.34Å; W253-L256 PolarHBondContact O-N 2.76Å; W253-A257 PolarHBondContact O-N 2.73Å
254L98.9Very high98.6Very high0 Ų013 Ų130%06%0.061CC..Hα-helixtrans-59.3-47.5175.2-175.8157.7000110.4R183 A250 L256 A257 Y258 L272 T275 F278 L279 F304R183-L254 HydrophobicContact CB-CD1 4.47Å; R183-L254 HydrophobicContact CG-CD1 3.78Å; A250-L254 VanDerWaalsContact O-CB 3.26Å; A250-L254 WeakPolarHBondContact O-CB 3.35Å; A250-L254 PolarHBondContact O-N 2.63Å; L254-L256 PolarHBondContact O-N 2.76Å; L254-A257 WeakPolarHBondContact O-CB 3.42Å; L254-A257 PolarHBondContact O-N 3.39Å; L254-Y258 PolarHBondContact O-N 2.88Å; L254-L272 HydrophobicContact CD2-CD1 3.97Å; L254-T275 HydrophobicContact CD1-CG2 3.77Å; L254-T275 HydrophobicContact CD2-CG2 4.31Å; L254-F278 HydrophobicContact CD1-CD1 4.21Å; L254-F278 HydrophobicContact CD1-CE1 4.27Å; L254-L279 HydrophobicContact CD1-CD1 4.34Å; L254-L279 HydrophobicContact CD1-CD2 4.07Å; L254-L279 HydrophobicContact CD1-CG 4.26Å; L254-F304 HydrophobicContact CD2-CE2 4.18Å; L254-F304 HydrophobicContact CD2-CZ 3.71Å
255Y98.9Very high98.6Very high3 Ų313.5 Ų13.51%0.0126%0.063CC..Hα-helixtrans-64.4-41179.9179.5-121.8000112.6I97 V98 G99 V251 Q252 W253 A257 Y258 L259 F304 K307 L308I97-Y255 HydrophobicContact CG2-CD1 3.81Å; I97-Y255 HydrophobicContact CG2-CG 4.27Å; V98-Y255 VanDerWaalsContact O-CD1 3.32Å; V98-Y255 WeakPolarHBondContact O-CD1 3.49Å; V98-Y255 VanDerWaalsContact O-CE1 3.29Å; V98-Y255 WeakPolarHBondContact O-CE1 3.34Å; G99-Y255 WeakPolarHBondContact O-CE1 3.26Å; G99-Y255 PolarHBondContact O-OH 2.75Å; V251-Y255 WeakPolarHBondContact O-CB 3.41Å; V251-Y255 PolarHBondContact O-N 2.9Å; Q252-Y255 PolarHBondContact O-N 2.94Å; W253-Y255 VanDerWaalsContact C-N 3.34Å; Y255-A257 VanDerWaalsContact C-N 3.3Å; Y255-A257 PolarHBondContact O-N 3.06Å; Y255-Y258 HydrophobicContact CD2-CD1 4.27Å; Y255-Y258 HydrophobicContact CE2-CD1 4.23Å; Y255-Y258 CarbonylContact O-C 3.5Å; Y255-Y258 PolarHBondContact O-N 3.15Å; Y255-L259 VanDerWaalsContact O-CB 3.29Å; Y255-L259 WeakPolarHBondContact O-CB 3.43Å; Y255-L259 PolarHBondContact O-N 3.05Å; Y255-F304 HydrophobicContact CD2-CD2 4.1Å; Y255-F304 AromaticContact CD2-CE2 3.81Å; Y255-F304 HydrophobicContact CD2-CE2 3.81Å; Y255-F304 HydrophobicContact CG-CD2 4.11Å; Y255-F304 HydrophobicContact CG-CE2 4.07Å; Y255-K307 HydrophobicContact CD1-CG 4.48Å; Y255-K307 HydrophobicContact CD2-CB 4.45Å; Y255-K307 HydrophobicContact CE1-CB 3.84Å; Y255-K307 HydrophobicContact CE1-CD 4.46Å; Y255-K307 HydrophobicContact CE1-CG 3.8Å; Y255-K307 HydrophobicContact CE2-CB 3.77Å; Y255-K307 VanDerWaalsContact CZ-CB 3.45Å; Y255-L308 HydrophobicContact CD2-CD2 4.16Å; Y255-L308 HydrophobicContact CE2-CD2 4.19Å
256L98.9Very high98.5Very high0 Ų011 Ų110%05%0.052CC..Hα-helixtrans-66.9-32.3177.7-72.5169.1000112.4L229 Y236 F238 L240 Q252 W253 L254 L259 A260L229-L256 WeakPolarHBondContact CD1-O 3.19Å; Y236-L256 HydrophobicContact CD2-CD2 4.09Å; Y236-L256 HydrophobicContact CG-CD2 4.41Å; F238-L256 HydrophobicContact CB-CD1 4.25Å; F238-L256 HydrophobicContact CD2-CD1 3.83Å; F238-L256 HydrophobicContact CG-CD1 4.26Å; L240-L256 HydrophobicContact CD1-CB 3.94Å; L240-L256 HydrophobicContact CD1-CD1 4.12Å; L240-L256 HydrophobicContact CD2-CD1 4.09Å; L240-L256 HydrophobicContact CG-CD1 4.48Å; Q252-L256 HydrophobicContact CG-CD1 4.08Å; Q252-L256 WeakPolarHBondContact O-CB 3.28Å; Q252-L256 WeakPolarHBondContact O-CG 3.4Å; Q252-L256 PolarHBondContact O-N 2.7Å; W253-L256 PolarHBondContact O-N 2.76Å; L254-L256 PolarHBondContact O-N 2.76Å; L256-L259 HydrophobicContact CD2-CD2 3.91Å; L256-L259 PolarHBondContact O-N 3.41Å; L256-A260 PolarHBondContact O-N 3.46Å
257A98.9Very high98.5Very high0 Ų08.5 Ų8.50%04%0.039CC..Hα-helixtrans-64.3-45.8171.700000111.6Y182 V185 L229 W253 L254 Y255 A260 A261 L508Y182-A257 HydrophobicContact CD1-CB 4.09Å; V185-A257 HydrophobicContact CB-CB 3.95Å; V185-A257 HydrophobicContact CG1-CB 4.4Å; V185-A257 HydrophobicContact CG2-CB 3.54Å; L229-A257 HydrophobicContact CD2-CB 4.26Å; W253-A257 PolarHBondContact O-N 2.73Å; L254-A257 WeakPolarHBondContact O-CB 3.42Å; L254-A257 PolarHBondContact O-N 3.39Å; Y255-A257 VanDerWaalsContact C-N 3.3Å; Y255-A257 PolarHBondContact O-N 3.06Å; A257-A260 PolarHBondContact O-N 3.5Å; A257-A261 PolarHBondContact O-N 2.78Å; A257-L508 HydrophobicContact CB-CD1 4.17Å
258Y98.9Very high98.2Very high0 Ų08.7 Ų8.70%04%0.041CC..Hα-helixtrans-65-39173.6177.9-109.5000112.1Y182 L254 Y255 A260 A261 I262 M270 L272 L308 V311 V330Y182-Y258 HydrophobicContact CD2-CD2 4.14Å; Y182-Y258 HydrophobicContact CE1-CD2 4.2Å; Y182-Y258 AromaticContact CE2-CD2 3.59Å; Y182-Y258 HydrophobicContact CE2-CD2 3.59Å; Y182-Y258 HydrophobicContact CE2-CE2 4.39Å; Y182-Y258 HydrophobicContact CE2-CG 4.45Å; Y182-Y258 AromaticContact CZ-CD2 3.64Å; L254-Y258 PolarHBondContact O-N 2.88Å; Y255-Y258 HydrophobicContact CD2-CD1 4.27Å; Y255-Y258 HydrophobicContact CE2-CD1 4.23Å; Y255-Y258 CarbonylContact O-C 3.5Å; Y255-Y258 PolarHBondContact O-N 3.15Å; Y258-A260 VanDerWaalsContact C-N 3.3Å; Y258-A260 PolarHBondContact O-N 2.95Å; Y258-A261 WeakPolarHBondContact O-CB 3.34Å; Y258-A261 PolarHBondContact O-N 3.48Å; Y258-I262 HydrophobicContact CD1-CD1 4.36Å; Y258-I262 HydrophobicContact CE1-CD1 3.99Å; Y258-I262 HydrophobicContact CE1-CG2 3.98Å; Y258-I262 HydrophobicContact CE2-CG2 3.89Å; Y258-I262 PolarHBondContact O-N 3.46Å; Y258-I262 VanDerWaalsContact O-N 3.08Å; Y258-M270 HydrophobicContact CE2-CB 4.47Å; Y258-M270 WeakPolarHBondContact CE2-O 3.49Å; Y258-M270 PolarHBondContact OH-O 3.45Å; Y258-L272 HydrophobicContact CD1-CD1 4.22Å; Y258-L272 HydrophobicContact CD2-CD1 4.06Å; Y258-L272 HydrophobicContact CG-CD1 3.88Å; Y258-L308 HydrophobicContact CD1-CD2 3.84Å; Y258-L308 HydrophobicContact CE1-CD2 3.74Å; Y258-V311 HydrophobicContact CE1-CG2 4.2Å; Y258-V330 HydrophobicContact CE1-CG1 4.08Å; Y258-V330 WeakPolarHBondContact OH-CG1 3.42Å; Y258-V330 VanDerWaalsContact OH-CG2 3.26Å; Y258-V330 WeakPolarHBondContact OH-CG2 3.02Å
259L98.9Very high98.1Very high0 Ų04.3 Ų4.30%02%0.022CC..Hα-helixtrans-60-40.4176.7-17960.5000111.4Q101 L232 Y236 Y255 L256 A261 I262 K263Q101-L259 HydrophobicContact CG-CD1 4.25Å; L232-L259 HydrophobicContact CD1-CD2 4.48Å; L232-L259 HydrophobicContact CD2-CB 4.49Å; L232-L259 HydrophobicContact CD2-CD2 4.39Å; L232-L259 HydrophobicContact CD2-CG 4.33Å; Y236-L259 HydrophobicContact CE2-CD2 4.25Å; Y255-L259 VanDerWaalsContact O-CB 3.29Å; Y255-L259 WeakPolarHBondContact O-CB 3.43Å; Y255-L259 PolarHBondContact O-N 3.05Å; L256-L259 HydrophobicContact CD2-CD2 3.91Å; L256-L259 PolarHBondContact O-N 3.41Å; L259-A261 VanDerWaalsContact C-N 3.31Å; L259-A261 PolarHBondContact O-N 2.94Å; L259-I262 HydrophobicContact CD1-CD1 3.96Å; L259-I262 HydrophobicContact CD1-CG1 4.07Å; L259-I262 WeakPolarHBondContact O-CG1 3.33Å; L259-I262 PolarHBondContact O-N 3.41Å; L259-K263 HydrophobicContact CD1-CD 4.37Å; L259-K263 HydrophobicContact CD1-CG 4.22Å; L259-K263 HydrophobicContact CG-CD 4.08Å; L259-K263 HydrophobicContact CG-CG 4.37Å; L259-K263 VanDerWaalsContact O-CB 3.3Å; L259-K263 WeakPolarHBondContact O-CB 3.42Å; L259-K263 VanDerWaalsContact O-CG 3.27Å; L259-K263 WeakPolarHBondContact O-CG 3.32Å; L259-K263 PolarHBondContact O-N 2.67Å
260A98.9Very high98.1Very high0 Ų02.9 Ų2.90%02%0.015CC..Hα-helixtrans-60.4-41.1174.300000111.8I82 L229 L232 L256 A257 Y258 K263 E264 I504I82-A260 HydrophobicContact CD1-CB 4.41Å; I82-A260 HydrophobicContact CG1-CB 4.24Å; I82-A260 HydrophobicContact CG2-CB 3.86Å; L229-A260 HydrophobicContact CD1-CB 3.89Å; L232-A260 HydrophobicContact CD2-CB 3.89Å; L256-A260 PolarHBondContact O-N 3.46Å; A257-A260 PolarHBondContact O-N 3.5Å; Y258-A260 VanDerWaalsContact C-N 3.3Å; Y258-A260 PolarHBondContact O-N 2.95Å; A260-K263 PolarHBondContact O-N 3.41Å; A260-E264 WeakPolarHBondContact O-CB 3.42Å; A260-E264 PolarHBondContact O-N 3.36Å; A260-E264 VanDerWaalsContact O-N 3.09Å; A260-I504 HydrophobicContact CB-CG1 3.89Å; A260-I504 HydrophobicContact CB-CG2 4.44Å
261A98.8Very high98Very high0 Ų02.9 Ų2.90%02%0.016CC..Hα-helixtrans-61-51.2175.900000111.9Y182 A257 Y258 L259 K263 E264 Q265 M270 I504 E505Y182-A261 HydrophobicContact CE1-CB 4.12Å; A257-A261 PolarHBondContact O-N 2.78Å; Y258-A261 WeakPolarHBondContact O-CB 3.34Å; Y258-A261 PolarHBondContact O-N 3.48Å; L259-A261 VanDerWaalsContact C-N 3.31Å; L259-A261 PolarHBondContact O-N 2.94Å; A261-K263 VanDerWaalsContact C-N 3.27Å; A261-K263 PolarHBondContact O-N 2.71Å; A261-E264 PolarHBondContact O-N 2.74Å; A261-Q265 PolarHBondContact O-N 3.12Å; A261-M270 HydrophobicContact CB-CE 4.09Å; A261-I504 HydrophobicContact CB-CG2 4.14Å; A261-E505 HydrophobicContact CB-CG 3.51Å
262I98.5Very high98Very high1 Ų13 Ų31%0.0052%0.016CC..Hα-helixtrans-75.3-11-179.362.8171.4000114.4Q101 Q111 Y258 L259 M270 V311 F313Q101-I262 HydrophobicContact CG-CB 4.4Å; Q101-I262 HydrophobicContact CG-CD1 3.66Å; Q101-I262 HydrophobicContact CG-CG1 3.83Å; Q101-I262 PolarHBondContact NE2-O 3.14Å; Q111-I262 PolarHBondContact NE2-O 3.29Å; Y258-I262 HydrophobicContact CD1-CD1 4.36Å; Y258-I262 HydrophobicContact CE1-CD1 3.99Å; Y258-I262 HydrophobicContact CE1-CG2 3.98Å; Y258-I262 HydrophobicContact CE2-CG2 3.89Å; Y258-I262 PolarHBondContact O-N 3.46Å; Y258-I262 VanDerWaalsContact O-N 3.08Å; L259-I262 HydrophobicContact CD1-CD1 3.96Å; L259-I262 HydrophobicContact CD1-CG1 4.07Å; L259-I262 WeakPolarHBondContact O-CG1 3.33Å; L259-I262 PolarHBondContact O-N 3.41Å; I262-M270 HydrophobicContact CG2-CB 3.9Å; I262-M270 HydrophobicContact CG2-CE 4.12Å; I262-M270 HydrophobicContact CG2-CG 4.18Å; I262-V311 HydrophobicContact CB-CG1 4.37Å; I262-V311 HydrophobicContact CD1-CB 4.34Å; I262-V311 HydrophobicContact CD1-CG1 3.88Å; I262-V311 HydrophobicContact CD1-CG2 3.59Å; I262-V311 HydrophobicContact CG2-CG1 4.22Å; I262-F313 HydrophobicContact CB-CE1 4.48Å; I262-F313 HydrophobicContact CB-CZ 3.92Å; I262-F313 HydrophobicContact CG2-CZ 4.1Å; I262-F313 WeakPolarHBondContact O-CE1 3.49Å
263K98.5Very high98Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-81-35.4167.6-83.5179.8164.7-72.10111.9S80 V100 Q101 Q111 L232 L259 A260 A261S80-K263 WeakPolarHBondContact CB-O 3.14Å; S80-K263 PolarHBondContact OG-O 3.22Å; V100-K263 VanDerWaalsContact O-CE 3.25Å; V100-K263 WeakPolarHBondContact O-CE 3.32Å; V100-K263 PolarHBondContact O-NZ 3.42Å; Q101-K263 VanDerWaalsContact C-NZ 3.28Å; Q101-K263 PolarHBondContact O-NZ 2.93Å; Q111-K263 PolarHBondContact NE2-O 2.77Å; L232-K263 HydrophobicContact CD1-CD 4.11Å; L232-K263 HydrophobicContact CD2-CD 4.31Å; L259-K263 HydrophobicContact CD1-CD 4.37Å; L259-K263 HydrophobicContact CD1-CG 4.22Å; L259-K263 HydrophobicContact CG-CD 4.08Å; L259-K263 HydrophobicContact CG-CG 4.37Å; L259-K263 VanDerWaalsContact O-CB 3.3Å; L259-K263 WeakPolarHBondContact O-CB 3.42Å; L259-K263 VanDerWaalsContact O-CG 3.27Å; L259-K263 WeakPolarHBondContact O-CG 3.32Å; L259-K263 PolarHBondContact O-N 2.67Å; A260-K263 PolarHBondContact O-N 3.41Å; A261-K263 VanDerWaalsContact C-N 3.27Å; A261-K263 PolarHBondContact O-N 2.71Å
264E97.5Very high98Very high16 Ų163.4 Ų3.48%0.0752%0.018CC..Hα-helixtrans-88-42.4-176.5-164.3-172.9-132.900112.6I82 Q111 A260 A261 R503I82-E264 HydrophobicContact CG1-CB 4.13Å; I82-E264 HydrophobicContact CG1-CG 4.48Å; Q111-E264 VanDerWaalsContact NE2-C 3.33Å; Q111-E264 PolarHBondContact NE2-O 2.93Å; A260-E264 WeakPolarHBondContact O-CB 3.42Å; A260-E264 PolarHBondContact O-N 3.36Å; A260-E264 VanDerWaalsContact O-N 3.09Å; A261-E264 PolarHBondContact O-N 2.74Å; E264-R503 IonicContact OE1-CZ 2.71Å; E264-R503 IonicContact OE1-NE 3.66Å; E264-R503 PolarHBondContact OE1-NE 2.83Å; E264-R503 IonicContact OE1-NH2 3.56Å; E264-R503 PolarHBondContact OE1-NH2 3.32Å; E264-R503 PolarHBondContact OE2-N 3.46Å
265Q97.9Very high98Very high11 Ų113.4 Ų3.45%0.0512%0.018CC..  trans-115.5147.4-171.6-52.6-58.3-31.300112.3Q111 A261 M270 F313 S500 Y501 E502Q111-Q265 VanDerWaalsContact NE2-C 3.29Å; Q111-Q265 PolarHBondContact NE2-O 3.23Å; Q111-Q265 VanDerWaalsContact NE2-O 3.14Å; A261-Q265 PolarHBondContact O-N 3.12Å; Q265-M270 HydrophobicContact CB-CE 4Å; Q265-M270 HydrophobicContact CB-SD 4.39Å; Q265-F313 WeakPolarHBondContact O-CE1 3.41Å; Q265-F313 WeakPolarHBondContact O-CZ 3.39Å; Q265-S500 PolarHBondContact OE1-OG 3.07Å; Q265-Y501 PolarHBondContact NE2-O 3.47Å; Q265-E502 HydrophobicContact CG-CB 4.08Å; Q265-E502 HydrophobicContact CG-CG 3.8Å
266N95.9Very high98Very high20 Ų203.3 Ų3.311%0.1072%0.018CC..  trans-114.446.3167.65312000111.7G174 A268 F313 R315G174-N266 PolarHBondContact N-O 3.41Å; G174-N266 PolarHBondContact N-OD1 3Å; N266-A268 PolarHBondContact O-N 2.88Å; N266-F313 HydrophobicContact CB-CD1 3.71Å; N266-F313 HydrophobicContact CB-CE1 4.09Å; N266-F313 HydrophobicContact CB-CG 4.13Å; N266-R315 PolarHBondContact O-NH1 3.06Å; N266-R315 PolarHBondContact O-NH2 3.47Å
267G96.7Very high98Very high2 Ų23.5 Ų3.52%0.0212%0.019CC..BIsolated β-bridgetrans-45145.1170.600000111G174 A269 M270 R315G174-G267 CarbonylContact O-C 3.42Å; G174-G267 WeakPolarHBondContact O-CA 3.35Å; G267-A269 VanDerWaalsContact C-N 3.27Å; G267-A269 PolarHBondContact O-N 2.94Å; G267-M270 VanDerWaalsContact CA-SD 3.52Å; G267-M270 PolarHBondContact N-SD 3.49Å; G267-M270 VanDerWaalsContact N-SD 3.38Å; G267-R315 PolarHBondContact O-NH2 3.02Å
268A92.3Very high98Very high3 Ų33.6 Ų3.63%0.0252%0.019CC..SBendtrans-52.8-54.5173.700000108.9Y173 G174 N266 Y319 W329 F427Y173-A268 HydrophobicContact CD2-CB 3.96Å; Y173-A268 HydrophobicContact CE2-CB 3.78Å; G174-A268 PolarHBondContact O-N 3.43Å; N266-A268 PolarHBondContact O-N 2.88Å; A268-Y319 WeakPolarHBondContact CA-OH 3.48Å; A268-W329 HydrophobicContact CB-CZ3 4.42Å; A268-W329 WeakPolarHBondContact O-CZ3 3.2Å; A268-F427 HydrophobicContact CB-CE1 4.4Å
269A96.6Very high98Very high2 Ų23.6 Ų3.62%0.0172%0.019CC..  trans-107.3125.2170.600000111.8G176 R177 G267 W329 C413G176-A269 WeakPolarHBondContact CA-O 3.37Å; R177-A269 PolarHBondContact N-O 3.03Å; G267-A269 VanDerWaalsContact C-N 3.27Å; G267-A269 PolarHBondContact O-N 2.94Å; A269-W329 HydrophobicContact CB-CB 3.65Å; A269-W329 HydrophobicContact CB-CD2 4.15Å; A269-W329 HydrophobicContact CB-CE3 4.12Å; A269-W329 HydrophobicContact CB-CG 4.01Å; A269-C413 HydrophobicContact CB-CB 3.36Å
270M98.3Very high98Very high0 Ų03.7 Ų3.70%02%0.02CC..BIsolated β-bridgetrans-114.875.9174.5-61.9-57.8-63.400108.6Y258 A261 I262 Q265 G267 F313 T328 W329Y258-M270 HydrophobicContact CE2-CB 4.47Å; Y258-M270 WeakPolarHBondContact CE2-O 3.49Å; Y258-M270 PolarHBondContact OH-O 3.45Å; A261-M270 HydrophobicContact CB-CE 4.09Å; I262-M270 HydrophobicContact CG2-CB 3.9Å; I262-M270 HydrophobicContact CG2-CE 4.12Å; I262-M270 HydrophobicContact CG2-CG 4.18Å; Q265-M270 HydrophobicContact CB-CE 4Å; Q265-M270 HydrophobicContact CB-SD 4.39Å; G267-M270 VanDerWaalsContact CA-SD 3.52Å; G267-M270 PolarHBondContact N-SD 3.49Å; G267-M270 VanDerWaalsContact N-SD 3.38Å; M270-F313 HydrophobicContact CG-CE2 3.72Å; M270-F313 HydrophobicContact CG-CZ 3.79Å; M270-T328 PolarHBondContact N-O 2.82Å; M270-W329 CarbonylContact C-O 3.59Å
271S98.8Very high98Very high1 Ų14 Ų41%0.0072%0.021CC..  trans-79.3149.9-171.3-590000112.5W329 T331 C413S271-W329 WeakPolarHBondContact CA-O 3.45Å; S271-W329 PolarHBondContact N-O 2.73Å; S271-W329 PolarHBondContact OG-O 2.67Å; S271-T331 PolarHBondContact OG-OG1 3.06Å; S271-C413 PolarHBondContact OG-N 3Å
272L98.7Very high98Very high2 Ų24 Ų41%0.012%0.021CC..  trans-82.7-35.5-177.2-17470.2000112.1Y182 L254 Y258 T275 F304 L308 V330 T331 E332Y182-L272 HydrophobicContact CD2-CD1 4.28Å; Y182-L272 VanDerWaalsContact CD2-O 3.24Å; Y182-L272 WeakPolarHBondContact CD2-O 3.2Å; Y182-L272 WeakPolarHBondContact CE2-O 3.41Å; L254-L272 HydrophobicContact CD2-CD1 3.97Å; Y258-L272 HydrophobicContact CD1-CD1 4.22Å; Y258-L272 HydrophobicContact CD2-CD1 4.06Å; Y258-L272 HydrophobicContact CG-CD1 3.88Å; L272-T275 HydrophobicContact CD2-CG2 4.15Å; L272-T275 HydrophobicContact CG-CG2 3.87Å; L272-F304 HydrophobicContact CD1-CZ 4.09Å; L272-F304 HydrophobicContact CD2-CE1 4.03Å; L272-F304 HydrophobicContact CD2-CZ 3.74Å; L272-L308 HydrophobicContact CD1-CD2 4.34Å; L272-L308 HydrophobicContact CD2-CD1 3.75Å; L272-V330 HydrophobicContact CB-CG1 4.08Å; L272-T331 WeakPolarHBondContact CB-O 3.4Å; L272-T331 PolarHBondContact N-O 3.3Å; L272-E332 HydrophobicContact CD2-CB 4.3Å
273G98.6Very high98Very high1 Ų13.9 Ų3.91%0.012%0.021CC..BIsolated β-bridgetrans108.3-129.7179.600000113.2T331 E332 S333G273-T331 PolarHBondContact N-O 3.31Å; G273-E332 CarbonylContact O-C 3.03Å; G273-E332 WeakPolarHBondContact O-CA 3.28Å; G273-S333 WeakPolarHBondContact O-CB 3.35Å; G273-S333 PolarHBondContact O-N 2.86Å; G273-S333 PolarHBondContact O-OG 3.24Å
274R98.8Very high98Very high9 Ų95.1 Ų5.13%0.0343%0.026CC..SBendtrans-134.484.4-176.5-175.9161.8-176-178.6-0.8109.9R183 S333 G335 L344 D407 Y409R183-R274 WeakPolarHBondContact CD-O 2.99Å; R183-R274 PolarHBondContact NH1-O 2.79Å; R274-S333 WeakPolarHBondContact CG-O 3.37Å; R274-G335 PolarHBondContact NH2-O 3.28Å; R274-L344 VanDerWaalsContact NH2-CD1 3.34Å; R274-D407 PolarHBondContact NH1-O 3.05Å; R274-D407 VanDerWaalsContact NH1-O 3.1Å; R274-Y409 WeakPolarHBondContact CD-O 3.49Å; R274-Y409 PolarHBondContact NH1-O 3.47Å
275T98.9Very high98.1Very high1 Ų16.4 Ų6.41%0.0063%0.031CC..  trans-113.9-29.8-162.667.90000113.7R183 L254 L272 T277 F278 L279 E332R183-T275 HydrophobicContact CG-CG2 4.2Å; L254-T275 HydrophobicContact CD1-CG2 3.77Å; L254-T275 HydrophobicContact CD2-CG2 4.31Å; L272-T275 HydrophobicContact CD2-CG2 4.15Å; L272-T275 HydrophobicContact CG-CG2 3.87Å; T275-T277 PolarHBondContact O-N 3.41Å; T275-F278 WeakPolarHBondContact O-CB 3.34Å; T275-F278 PolarHBondContact O-N 2.83Å; T275-F278 VanDerWaalsContact O-N 3.09Å; T275-L279 WeakPolarHBondContact O-CG 3.48Å; T275-L279 PolarHBondContact O-N 2.89Å; T275-E332 WeakPolarHBondContact CB-OE2 3.48Å; T275-E332 PolarHBondContact N-OE1 2.98Å; T275-E332 PolarHBondContact N-OE2 2.93Å; T275-E332 VanDerWaalsContact OG1-CD 3.25Å; T275-E332 PolarHBondContact OG1-OE1 3.29Å; T275-E332 PolarHBondContact OG1-OE2 3.42Å
276S98.9Very high98.1Very high0 Ų06.6 Ų6.60%03%0.032CC..Hα-helixtrans-52.4-53.5-174.748.30000113L279 D280 E332 N348S276-L279 PolarHBondContact O-N 3.32Å; S276-D280 PolarHBondContact O-N 3.46Å; S276-E332 VanDerWaalsContact CB-OE1 3.27Å; S276-E332 WeakPolarHBondContact CB-OE1 3.45Å; S276-E332 PolarHBondContact N-OE1 3.01Å; S276-E332 PolarHBondContact OG-OE1 3.39Å; S276-N348 WeakPolarHBondContact O-CB 3.34Å; S276-N348 PolarHBondContact O-ND2 3.1Å; S276-N348 VanDerWaalsContact O-ND2 3.07Å
277T98.9Very high98.3Very high5 Ų57.4 Ų7.43%0.0314%0.036CC..Hα-helixtrans-68.1-32.5178.2-67.70000113.5I30 Y34 T275 L344 T346I30-T277 HydrophobicContact CG2-CG2 4.13Å; Y34-T277 HydrophobicContact CD2-CG2 4.28Å; Y34-T277 HydrophobicContact CG-CG2 4.33Å; T275-T277 PolarHBondContact O-N 3.41Å; T277-L344 HydrophobicContact CG2-CD2 4.49Å; T277-L344 PolarHBondContact OG1-O 3.43Å; T277-T346 HydrophobicContact CG2-CG2 3.67Å; T277-T346 PolarHBondContact OG1-OG1 3.15Å
278F98.9Very high98.3Very high1 Ų114.1 Ų14.10%0.0047%0.065CC..Hα-helixtrans-64.9-47.5173.1162.9-96.8000111.1V26 F29 I30 R183 A186 L187 L254 T275 D280 I281 Y282V26-F278 HydrophobicContact CG1-CD2 4.06Å; V26-F278 HydrophobicContact CG1-CE2 4.32Å; F29-F278 AromaticContact CD1-CD2 3.83Å; F29-F278 HydrophobicContact CD1-CD2 3.83Å; F29-F278 AromaticContact CD1-CE2 3.74Å; F29-F278 HydrophobicContact CD1-CE2 3.74Å; F29-F278 AromaticContact CE1-CD2 3.69Å; F29-F278 HydrophobicContact CE1-CD2 3.69Å; F29-F278 AromaticContact CE1-CE2 3.48Å; F29-F278 HydrophobicContact CE1-CE2 3.48Å; F29-F278 VanDerWaalsContact CE1-CE2 3.48Å; I30-F278 HydrophobicContact CD1-CB 4.11Å; I30-F278 HydrophobicContact CG1-CB 4.17Å; I30-F278 HydrophobicContact CG1-CD2 4.22Å; R183-F278 HydrophobicContact CB-CD1 3.79Å; R183-F278 HydrophobicContact CB-CD2 4.12Å; R183-F278 HydrophobicContact CB-CE1 3.73Å; R183-F278 HydrophobicContact CB-CE2 4.06Å; R183-F278 HydrophobicContact CB-CG 4Å; R183-F278 HydrophobicContact CB-CZ 3.87Å; R183-F278 HydrophobicContact CG-CB 4.31Å; R183-F278 HydrophobicContact CG-CD1 3.63Å; R183-F278 HydrophobicContact CG-CD2 4.45Å; R183-F278 HydrophobicContact CG-CE1 4.04Å; R183-F278 HydrophobicContact CG-CG 3.87Å; A186-F278 HydrophobicContact CB-CE1 3.97Å; A186-F278 HydrophobicContact CB-CZ 3.92Å; L187-F278 HydrophobicContact CB-CE2 4.22Å; L187-F278 HydrophobicContact CB-CZ 4.28Å; L254-F278 HydrophobicContact CD1-CD1 4.21Å; L254-F278 HydrophobicContact CD1-CE1 4.27Å; T275-F278 WeakPolarHBondContact O-CB 3.34Å; T275-F278 PolarHBondContact O-N 2.83Å; T275-F278 VanDerWaalsContact O-N 3.09Å; F278-D280 VanDerWaalsContact C-N 3.26Å; F278-D280 PolarHBondContact O-N 3.45Å; F278-I281 WeakPolarHBondContact O-CB 3.21Å; F278-I281 PolarHBondContact O-N 3.18Å; F278-Y282 HydrophobicContact CE1-CE2 4.3Å; F278-Y282 HydrophobicContact CE2-CE2 4.07Å; F278-Y282 AromaticContact CZ-CE2 3.74Å; F278-Y282 HydrophobicContact CZ-CE2 3.74Å
279L99Very high98.6Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-65.7-29.7180-69.5173.4000112.1F247 A250 V251 L254 T275 S276 I281 Y282 A283 F304 N348 F352F247-L279 WeakPolarHBondContact CD2-O 3.11Å; F247-L279 HydrophobicContact CE2-CB 4.22Å; A250-L279 HydrophobicContact CB-CD2 4.18Å; V251-L279 HydrophobicContact CG2-CD1 4.13Å; V251-L279 HydrophobicContact CG2-CD2 3.84Å; V251-L279 HydrophobicContact CG2-CG 4.44Å; L254-L279 HydrophobicContact CD1-CD1 4.34Å; L254-L279 HydrophobicContact CD1-CD2 4.07Å; L254-L279 HydrophobicContact CD1-CG 4.26Å; T275-L279 WeakPolarHBondContact O-CG 3.48Å; T275-L279 PolarHBondContact O-N 2.89Å; S276-L279 PolarHBondContact O-N 3.32Å; L279-I281 PolarHBondContact O-N 3.1Å; L279-Y282 PolarHBondContact O-N 3.14Å; L279-A283 PolarHBondContact O-N 2.88Å; L279-A283 VanDerWaalsContact O-N 3.16Å; L279-F304 HydrophobicContact CD1-CE1 4.24Å; L279-N348 WeakPolarHBondContact CB-ND2 3.36Å; L279-F352 HydrophobicContact CD1-CE2 4.45Å; L279-F352 HydrophobicContact CD1-CZ 4.07Å
280D98.9Very high98.6Very high2 Ų220.2 Ų20.21%0.01112%0.122CC..Hα-helixtrans-60.9-29.6176.9-155.466.2000112.8S276 F278 Y282 A283 E284 T346 N348 R351S276-D280 PolarHBondContact O-N 3.46Å; F278-D280 VanDerWaalsContact C-N 3.26Å; F278-D280 PolarHBondContact O-N 3.45Å; D280-Y282 VanDerWaalsContact C-N 3.26Å; D280-Y282 PolarHBondContact O-N 3.01Å; D280-A283 PolarHBondContact O-N 3.14Å; D280-E284 WeakPolarHBondContact O-CB 3.29Å; D280-E284 PolarHBondContact O-N 2.85Å; D280-T346 HydrophobicContact CB-CG2 4Å; D280-T346 WeakPolarHBondContact OD2-CB 3.27Å; D280-N348 HydrophobicContact CB-CB 3.84Å; D280-N348 PolarHBondContact N-ND2 3.2Å; D280-N348 WeakPolarHBondContact OD1-CB 3.45Å; D280-N348 PolarHBondContact OD1-N 3.46Å; D280-R351 IonicContact OD1-NH1 3.52Å; D280-R351 PolarHBondContact OD1-NH1 2.72Å
281I98.9Very high98.6Very high6 Ų625.2 Ų25.23%0.03115%0.152CC..Hα-helixtrans-60.2-41.1179.5-65.6162.7000110.7F15 F29 I30 N33 F278 L279 R285F15-I281 HydrophobicContact CD1-CG2 3.92Å; F15-I281 HydrophobicContact CE1-CG2 3.44Å; F15-I281 VanDerWaalsContact CE1-CG2 3.44Å; F15-I281 HydrophobicContact CZ-CG2 4.05Å; F29-I281 HydrophobicContact CD1-CD1 4.01Å; F29-I281 HydrophobicContact CE1-CB 4.31Å; F29-I281 HydrophobicContact CE1-CD1 3.56Å; F29-I281 HydrophobicContact CE1-CG2 4.06Å; F29-I281 HydrophobicContact CE2-CG2 4.36Å; F29-I281 HydrophobicContact CZ-CB 4.29Å; F29-I281 HydrophobicContact CZ-CD1 4.18Å; F29-I281 HydrophobicContact CZ-CG2 3.58Å; I30-I281 HydrophobicContact CB-CD1 4.45Å; I30-I281 HydrophobicContact CG1-CD1 4.27Å; N33-I281 HydrophobicContact CB-CD1 4.12Å; N33-I281 HydrophobicContact CB-CG1 4.23Å; N33-I281 HydrophobicContact CB-CG2 3.63Å; F278-I281 WeakPolarHBondContact O-CB 3.21Å; F278-I281 PolarHBondContact O-N 3.18Å; L279-I281 PolarHBondContact O-N 3.1Å; I281-R285 WeakPolarHBondContact O-CB 3.24Å; I281-R285 PolarHBondContact O-N 3.44Å
282Y98.9Very high98.6Very high0 Ų026.2 Ų26.20%016%0.157CC..Hα-helixtrans-75-43176.2-68.6-99.5000111.3F15 F29 A244 A250 F278 L279 D280 E284 R285 D286F15-Y282 HydrophobicContact CE2-CD1 4.44Å; F15-Y282 AromaticContact CE2-CE1 3.94Å; F15-Y282 HydrophobicContact CE2-CE1 3.94Å; F15-Y282 AromaticContact CZ-CD1 3.94Å; F15-Y282 HydrophobicContact CZ-CD1 3.94Å; F15-Y282 AromaticContact CZ-CE1 3.9Å; F15-Y282 HydrophobicContact CZ-CE1 3.9Å; F15-Y282 HydrophobicContact CZ-CE2 4.45Å; F15-Y282 HydrophobicContact CZ-CG 4.26Å; F29-Y282 HydrophobicContact CE1-CE2 4.11Å; F29-Y282 AromaticContact CZ-CE2 3.95Å; F29-Y282 HydrophobicContact CZ-CE2 3.95Å; A244-Y282 HydrophobicContact CB-CE1 4.5Å; A250-Y282 HydrophobicContact CB-CD1 3.76Å; A250-Y282 HydrophobicContact CB-CD2 3.74Å; A250-Y282 HydrophobicContact CB-CE1 4.04Å; A250-Y282 HydrophobicContact CB-CE2 4.04Å; A250-Y282 HydrophobicContact CB-CG 3.59Å; F278-Y282 HydrophobicContact CE1-CE2 4.3Å; F278-Y282 HydrophobicContact CE2-CE2 4.07Å; F278-Y282 AromaticContact CZ-CE2 3.74Å; F278-Y282 HydrophobicContact CZ-CE2 3.74Å; L279-Y282 PolarHBondContact O-N 3.14Å; D280-Y282 VanDerWaalsContact C-N 3.26Å; D280-Y282 PolarHBondContact O-N 3.01Å; Y282-E284 PolarHBondContact O-N 3.48Å; Y282-R285 PolarHBondContact O-N 2.66Å; Y282-D286 WeakPolarHBondContact O-CB 3.43Å; Y282-D286 PolarHBondContact O-N 3.46Å
283A98.8Very high98.6Very high0 Ų029.6 Ų29.60%018%0.178CC..Hα-helixtrans-58.5-48.1177.900000111.8F247 L279 D280 R285 D286 L287 V297F247-A283 HydrophobicContact CD1-CB 4.37Å; F247-A283 HydrophobicContact CD2-CB 3.65Å; F247-A283 HydrophobicContact CE1-CB 4.44Å; F247-A283 HydrophobicContact CE2-CB 3.73Å; F247-A283 HydrophobicContact CG-CB 3.98Å; F247-A283 HydrophobicContact CZ-CB 4.13Å; L279-A283 PolarHBondContact O-N 2.88Å; L279-A283 VanDerWaalsContact O-N 3.16Å; D280-A283 PolarHBondContact O-N 3.14Å; A283-R285 VanDerWaalsContact C-N 3.34Å; A283-R285 PolarHBondContact O-N 3.44Å; A283-D286 PolarHBondContact O-N 3.42Å; A283-L287 VanDerWaalsContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.32Å; A283-L287 VanDerWaalsContact O-CG 3.26Å; A283-L287 WeakPolarHBondContact O-CG 3.37Å; A283-L287 PolarHBondContact O-N 3.47Å; A283-V297 HydrophobicContact CB-CG1 4.02Å; A283-V297 HydrophobicContact CB-CG2 4.48Å
284E98.7Very high98.6Very high25 Ų2531.3 Ų31.312%0.11719%0.185CC..Hα-helixtrans-67.4-34.7-178.5-176.766.5-171.600111.7D280 Y282 K288 K347D280-E284 WeakPolarHBondContact O-CB 3.29Å; D280-E284 PolarHBondContact O-N 2.85Å; Y282-E284 PolarHBondContact O-N 3.48Å; E284-K288 HydrophobicContact CG-CD 4.27Å; E284-K288 VanDerWaalsContact CG-NZ 3.27Å; E284-K288 WeakPolarHBondContact O-CB 3.37Å; E284-K288 VanDerWaalsContact O-CG 3.25Å; E284-K288 WeakPolarHBondContact O-CG 3.46Å; E284-K288 PolarHBondContact O-N 2.91Å; E284-K288 WeakPolarHBondContact OE1-CE 3.35Å; E284-K288 IonicContact OE1-NZ 3.63Å; E284-K288 PolarHBondContact OE1-NZ 2.85Å; E284-K347 IonicContact OE2-NZ 3.09Å
285R98.4Very high98.6Very high44 Ų4433.4 Ų33.417%0.16620%0.202CC..Hα-helixtrans-63.7-48.4173-174.8-17164.8179.9-1.4111A11 Q13 F15 E245 I281 Y282 A283 K288 A289A11-R285 PolarHBondContact O-NH1 2.82Å; Q13-R285 WeakPolarHBondContact O-CD 3.39Å; Q13-R285 PolarHBondContact O-NH1 2.85Å; F15-R285 HydrophobicContact CE1-CB 4.34Å; E245-R285 PolarHBondContact O-NH2 3.38Å; I281-R285 WeakPolarHBondContact O-CB 3.24Å; I281-R285 PolarHBondContact O-N 3.44Å; Y282-R285 PolarHBondContact O-N 2.66Å; A283-R285 VanDerWaalsContact C-N 3.34Å; A283-R285 PolarHBondContact O-N 3.44Å; R285-K288 PolarHBondContact O-N 3.38Å; R285-A289 PolarHBondContact O-N 3.32Å
286D98.7Very high98.6Very high14 Ų1437.3 Ų37.38%0.07522%0.22CC..Hα-helixtrans-70.6-37.7-176.1-6910.6000111.2N246 F247 Y282 A283 A289 G290 V291 I292N246-D286 WeakPolarHBondContact CB-OD2 3.38Å; F247-D286 WeakPolarHBondContact CB-OD2 3.21Å; F247-D286 PolarHBondContact N-OD2 3.37Å; Y282-D286 WeakPolarHBondContact O-CB 3.43Å; Y282-D286 PolarHBondContact O-N 3.46Å; A283-D286 PolarHBondContact O-N 3.42Å; D286-A289 PolarHBondContact O-N 2.63Å; D286-G290 PolarHBondContact O-N 2.77Å; D286-G290 VanDerWaalsContact O-N 3.13Å; D286-V291 HydrophobicContact CB-CG2 3.76Å; D286-V291 WeakPolarHBondContact O-CG2 3.3Å; D286-V291 PolarHBondContact O-N 3.23Å; D286-I292 HydrophobicContact CB-CG2 3.62Å
287L98.6Very high98.6Very high38 Ų3837.3 Ų37.320%0.19922%0.22CC..Hα-helixtrans-60.3-45.5171.5-78166.2000111.4A283 A289 G290 I292 V297A283-L287 VanDerWaalsContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.32Å; A283-L287 VanDerWaalsContact O-CG 3.26Å; A283-L287 WeakPolarHBondContact O-CG 3.37Å; A283-L287 PolarHBondContact O-N 3.47Å; L287-A289 VanDerWaalsContact C-N 3.28Å; L287-A289 PolarHBondContact O-N 2.66Å; L287-G290 PolarHBondContact O-N 3.26Å; L287-I292 HydrophobicContact CD2-CG2 4.2Å; L287-I292 HydrophobicContact CG-CG2 4.09Å; L287-V297 HydrophobicContact CD1-CG2 4.2Å; L287-V297 HydrophobicContact CD2-CG2 4.12Å; L287-V297 HydrophobicContact CG-CG2 4.04Å
288K98.1Very high98.6Very high142 Ų14237.1 Ų37.162%0.61722%0.218SC*.Hα-helixtrans-64.8-32177.1-79.5171.3176.2144.70112.9E284 R285E284-K288 HydrophobicContact CG-CD 4.27Å; E284-K288 VanDerWaalsContact CG-NZ 3.27Å; E284-K288 WeakPolarHBondContact O-CB 3.37Å; E284-K288 VanDerWaalsContact O-CG 3.25Å; E284-K288 WeakPolarHBondContact O-CG 3.46Å; E284-K288 PolarHBondContact O-N 2.91Å; E284-K288 WeakPolarHBondContact OE1-CE 3.35Å; E284-K288 IonicContact OE1-NZ 3.63Å; E284-K288 PolarHBondContact OE1-NZ 2.85Å; R285-K288 PolarHBondContact O-N 3.38Å
289A97.4Very high98.6Very high69 Ų6938.6 Ų38.657%0.5723%0.226SC*.Hα-helixtrans-76.4-11.7174.700000113R285 D286 L287 V291R285-A289 PolarHBondContact O-N 3.32Å; D286-A289 PolarHBondContact O-N 2.63Å; L287-A289 VanDerWaalsContact C-N 3.28Å; L287-A289 PolarHBondContact O-N 2.66Å; A289-V291 VanDerWaalsContact C-N 3.25Å; A289-V291 HydrophobicContact CB-CG1 4.14Å; A289-V291 HydrophobicContact CB-CG2 4.3Å; A289-V291 PolarHBondContact O-N 2.96Å
290G97.8Very high98.6Very high65 Ų6539 Ų3967%0.6723%0.227SC*.THydrogen-bonded Turntrans69.521.5-178.400000113.7D286 L287D286-G290 PolarHBondContact O-N 2.77Å; D286-G290 VanDerWaalsContact O-N 3.13Å; L287-G290 PolarHBondContact O-N 3.26Å
291V98Very high98.6Very high104 Ų10438.9 Ų38.963%0.6323%0.227SC*.SBendtrans-92.5-10.2180-59.20000113D286 A289D286-V291 HydrophobicContact CB-CG2 3.76Å; D286-V291 WeakPolarHBondContact O-CG2 3.3Å; D286-V291 PolarHBondContact O-N 3.23Å; A289-V291 VanDerWaalsContact C-N 3.25Å; A289-V291 HydrophobicContact CB-CG1 4.14Å; A289-V291 HydrophobicContact CB-CG2 4.3Å; A289-V291 PolarHBondContact O-N 2.96Å
292I98.6Very high98.6Very high23 Ų2338.6 Ų38.612%0.11823%0.225CC..SBendtrans-143.4150.3176.2-162.4168.6000109.4F247 D286 L287 E296 V297 I300F247-I292 HydrophobicContact CD1-CD1 4.08Å; D286-I292 HydrophobicContact CB-CG2 3.62Å; L287-I292 HydrophobicContact CD2-CG2 4.2Å; L287-I292 HydrophobicContact CG-CG2 4.09Å; I292-E296 HydrophobicContact CD1-CB 3.92Å; I292-E296 HydrophobicContact CG1-CB 3.45Å; I292-E296 VanDerWaalsContact CG1-CB 3.45Å; I292-E296 HydrophobicContact CG1-CG 4.46Å; I292-V297 HydrophobicContact CD1-CG2 3.77Å; I292-V297 HydrophobicContact CG1-CG2 4Å; I292-V297 HydrophobicContact CG2-CG2 3.8Å; I292-I300 HydrophobicContact CD1-CD1 3.72Å
293T98.7Very high98.6Very high73 Ų7338.6 Ų38.645%0.44823%0.225SC..  trans-98.7162.7173.964.20000111.4S295 E296 V297T293-S295 PolarHBondContact O-N 3.14Å; T293-E296 WeakPolarHBondContact CB-OE2 3.24Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.44Å; T293-E296 PolarHBondContact N-OE2 2.76Å; T293-E296 PolarHBondContact O-N 3.29Å; T293-E296 WeakPolarHBondContact OG1-CG 3.43Å; T293-E296 PolarHBondContact OG1-N 2.84Å; T293-E296 PolarHBondContact OG1-OE2 2.96Å; T293-V297 WeakPolarHBondContact O-CG2 3.43Å; T293-V297 PolarHBondContact O-N 2.64Å
294E98.8Very high98.6Very high36 Ų3638.6 Ų38.617%0.16823%0.225CC..Hα-helixtrans-59.7-34.7175.3-177.757.6-148.700112.5F43 A45 V297 Q298 R351F43-E294 HydrophobicContact CD2-CG 4.2Å; F43-E294 WeakPolarHBondContact CD2-OE1 3.46Å; F43-E294 VanDerWaalsContact CE2-OE1 3.27Å; F43-E294 WeakPolarHBondContact CE2-OE1 3.34Å; F43-E294 VanDerWaalsContact O-CG 3.3Å; F43-E294 WeakPolarHBondContact O-CG 3.36Å; A45-E294 HydrophobicContact CB-CG 4.41Å; E294-V297 PolarHBondContact O-N 3.28Å; E294-Q298 PolarHBondContact O-N 3.37Å; E294-R351 IonicContact OE1-CZ 2.88Å; E294-R351 IonicContact OE1-NE 3.68Å; E294-R351 PolarHBondContact OE1-NE 3.3Å; E294-R351 IonicContact OE1-NH2 2.88Å; E294-R351 PolarHBondContact OE1-NH2 2.98Å; E294-R351 IonicContact OE2-CZ 3.52Å; E294-R351 IonicContact OE2-NE 3.62Å; E294-R351 IonicContact OE2-NH2 3.22Å; E294-R351 PolarHBondContact OE2-NH2 2.94Å
295S98.8Very high98.6Very high53 Ų5337.4 Ų37.437%0.37122%0.22SC..Hα-helixtrans-63.5-43.8175.4-171.80000112.2T293 Q298 E299T293-S295 PolarHBondContact O-N 3.14Å; S295-Q298 PolarHBondContact O-N 2.9Å; S295-E299 WeakPolarHBondContact O-CB 3.47Å; S295-E299 PolarHBondContact O-N 3.41Å
296E98.9Very high98.6Very high84 Ų8435.3 Ų35.339%0.39321%0.212SC..Hα-helixtrans-70.7-34.1177.1-70.5162.7134.600111.7I292 T293 E299 I300I292-E296 HydrophobicContact CD1-CB 3.92Å; I292-E296 HydrophobicContact CG1-CB 3.45Å; I292-E296 VanDerWaalsContact CG1-CB 3.45Å; I292-E296 HydrophobicContact CG1-CG 4.46Å; T293-E296 WeakPolarHBondContact CB-OE2 3.24Å; T293-E296 WeakPolarHBondContact CG2-OE2 3.44Å; T293-E296 PolarHBondContact N-OE2 2.76Å; T293-E296 PolarHBondContact O-N 3.29Å; T293-E296 WeakPolarHBondContact OG1-CG 3.43Å; T293-E296 PolarHBondContact OG1-N 2.84Å; T293-E296 PolarHBondContact OG1-OE2 2.96Å; E296-E299 PolarHBondContact O-N 2.86Å; E296-I300 WeakPolarHBondContact O-CG1 3.42Å; E296-I300 PolarHBondContact O-N 2.7Å; E296-I300 VanDerWaalsContact O-N 3.08Å
297V98.9Very high98.6Very high0 Ų034.6 Ų34.60%021%0.208CC..Hα-helixtrans-62.2-47.5172.4173.90000110.3F247 A283 L287 I292 T293 E294 I300 I301 R351F247-V297 HydrophobicContact CD1-CG1 4.39Å; F247-V297 HydrophobicContact CD1-CG2 4.28Å; F247-V297 HydrophobicContact CE1-CB 4.15Å; F247-V297 HydrophobicContact CE1-CG1 3.66Å; F247-V297 HydrophobicContact CE1-CG2 4.27Å; F247-V297 HydrophobicContact CZ-CG1 3.92Å; A283-V297 HydrophobicContact CB-CG1 4.02Å; A283-V297 HydrophobicContact CB-CG2 4.48Å; L287-V297 HydrophobicContact CD1-CG2 4.2Å; L287-V297 HydrophobicContact CD2-CG2 4.12Å; L287-V297 HydrophobicContact CG-CG2 4.04Å; I292-V297 HydrophobicContact CD1-CG2 3.77Å; I292-V297 HydrophobicContact CG1-CG2 4Å; I292-V297 HydrophobicContact CG2-CG2 3.8Å; T293-V297 WeakPolarHBondContact O-CG2 3.43Å; T293-V297 PolarHBondContact O-N 2.64Å; E294-V297 PolarHBondContact O-N 3.28Å; V297-I300 PolarHBondContact O-N 2.73Å; V297-I301 WeakPolarHBondContact O-CG1 3.41Å; V297-I301 PolarHBondContact O-N 2.74Å; V297-I301 VanDerWaalsContact O-N 3.1Å; V297-R351 VanDerWaalsContact CG1-CZ 3.49Å
298Q98.9Very high98.6Very high0 Ų032.8 Ų32.80%020%0.199CC..Hα-helixtrans-64.9-39.2177.8-171.965.752.200111.9A45 E294 S295 I300 I301 D302 R351 N358A45-Q298 HydrophobicContact CB-CB 4.27Å; A45-Q298 WeakPolarHBondContact O-CG 3.41Å; E294-Q298 PolarHBondContact O-N 3.37Å; S295-Q298 PolarHBondContact O-N 2.9Å; Q298-I300 VanDerWaalsContact C-N 3.34Å; Q298-I300 PolarHBondContact O-N 3.33Å; Q298-I301 CarbonylContact O-C 3.48Å; Q298-I301 PolarHBondContact O-N 3.36Å; Q298-D302 PolarHBondContact NE2-OD1 3.12Å; Q298-D302 WeakPolarHBondContact O-CB 3.4Å; Q298-D302 VanDerWaalsContact O-CG 3.29Å; Q298-D302 PolarHBondContact O-N 3.13Å; Q298-R351 PolarHBondContact NE2-O 3.32Å; Q298-R351 VanDerWaalsContact NE2-O 3.13Å; Q298-R351 VanDerWaalsContact OE1-CG 3.27Å; Q298-N358 WeakPolarHBondContact CG-ND2 3.31Å
299E98.9Very high98.6Very high33 Ų3327.6 Ų27.615%0.15418%0.175CC..Hα-helixtrans-58.2-44.2175-179.2176.1-119.900112.4T48 T96 S295 E296 D302 H303T48-E299 VanDerWaalsContact CB-OE1 3.3Å; T48-E299 WeakPolarHBondContact CB-OE1 3.43Å; T48-E299 HydrophobicContact CG2-CB 3.82Å; T48-E299 HydrophobicContact CG2-CG 4.05Å; T48-E299 WeakPolarHBondContact CG2-OE1 3.43Å; T48-E299 PolarHBondContact OG1-OE1 2.95Å; T96-E299 HydrophobicContact CG2-CG 4Å; T96-E299 WeakPolarHBondContact CG2-OE2 3.25Å; S295-E299 WeakPolarHBondContact O-CB 3.47Å; S295-E299 PolarHBondContact O-N 3.41Å; E296-E299 PolarHBondContact O-N 2.86Å; E299-D302 PolarHBondContact O-N 2.63Å; E299-H303 WeakPolarHBondContact O-CB 3.07Å; E299-H303 PolarHBondContact O-N 2.81Å
300I99Very high98.6Very high7 Ų724.8 Ų24.84%0.03615%0.15CC..Hα-helixtrans-62.5-43.2175.9-70.8165.8000111I97 F247 K248 V251 I292 E296 V297 Q298 F304I97-I300 HydrophobicContact CD1-CG2 4.02Å; I97-I300 HydrophobicContact CG1-CG2 4.03Å; F247-I300 HydrophobicContact CD1-CB 4.43Å; F247-I300 HydrophobicContact CD1-CD1 3.75Å; F247-I300 HydrophobicContact CD1-CG2 4.19Å; F247-I300 HydrophobicContact CE1-CB 3.78Å; F247-I300 HydrophobicContact CE1-CD1 3.95Å; F247-I300 HydrophobicContact CE1-CG1 4.49Å; F247-I300 HydrophobicContact CE1-CG2 3.6Å; F247-I300 HydrophobicContact CZ-CG2 4.06Å; K248-I300 HydrophobicContact CB-CD1 3.87Å; K248-I300 HydrophobicContact CG-CD1 4.22Å; V251-I300 HydrophobicContact CB-CG2 3.96Å; V251-I300 HydrophobicContact CG1-CG2 4.02Å; V251-I300 HydrophobicContact CG2-CG2 3.79Å; I292-I300 HydrophobicContact CD1-CD1 3.72Å; E296-I300 WeakPolarHBondContact O-CG1 3.42Å; E296-I300 PolarHBondContact O-N 2.7Å; E296-I300 VanDerWaalsContact O-N 3.08Å; V297-I300 PolarHBondContact O-N 2.73Å; Q298-I300 VanDerWaalsContact C-N 3.34Å; Q298-I300 PolarHBondContact O-N 3.33Å; I300-F304 WeakPolarHBondContact O-CB 2.93Å; I300-F304 PolarHBondContact O-N 2.94Å
301I99Very high98.6Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-64.1-45.5175.7-67.7-54.5000110.9F247 V297 Q298 H303 F304 I305 R351 F352F247-I301 HydrophobicContact CE2-CD1 4.37Å; F247-I301 HydrophobicContact CZ-CD1 3.69Å; F247-I301 HydrophobicContact CZ-CG1 3.99Å; V297-I301 WeakPolarHBondContact O-CG1 3.41Å; V297-I301 PolarHBondContact O-N 2.74Å; V297-I301 VanDerWaalsContact O-N 3.1Å; Q298-I301 CarbonylContact O-C 3.48Å; Q298-I301 PolarHBondContact O-N 3.36Å; I301-H303 PolarHBondContact O-N 3.08Å; I301-F304 WeakPolarHBondContact O-CB 3.36Å; I301-F304 PolarHBondContact O-N 2.94Å; I301-I305 HydrophobicContact CG2-CG1 4.12Å; I301-I305 WeakPolarHBondContact O-CB 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.33Å; I301-I305 PolarHBondContact O-N 3.28Å; I301-R351 HydrophobicContact CG1-CB 4.4Å; I301-R351 HydrophobicContact CG2-CB 4.3Å; I301-F352 HydrophobicContact CD1-CD2 4.29Å; I301-F352 HydrophobicContact CD1-CE2 3.64Å; I301-F352 HydrophobicContact CD1-CZ 4.4Å; I301-F352 HydrophobicContact CG2-CD2 4.04Å; I301-F352 HydrophobicContact CG2-CE2 4.3Å
302D98.9Very high98.5Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-62.4-43.7179.4-72.1-15.9000111T51 Q298 E299 F304 I305 M306 N358 L359T51-D302 HydrophobicContact CG2-CB 3.78Å; Q298-D302 PolarHBondContact NE2-OD1 3.12Å; Q298-D302 WeakPolarHBondContact O-CB 3.4Å; Q298-D302 VanDerWaalsContact O-CG 3.29Å; Q298-D302 PolarHBondContact O-N 3.13Å; E299-D302 PolarHBondContact O-N 2.63Å; D302-F304 PolarHBondContact O-N 3.36Å; D302-I305 PolarHBondContact O-N 2.92Å; D302-M306 WeakPolarHBondContact O-CB 3.49Å; D302-M306 PolarHBondContact O-N 2.79Å; D302-N358 WeakPolarHBondContact OD2-CB 3.46Å; D302-N358 PolarHBondContact OD2-ND2 3.45Å; D302-L359 HydrophobicContact CB-CD1 4.31Å; D302-L359 HydrophobicContact CB-CD2 4.33Å; D302-L359 HydrophobicContact CB-CG 4.42Å; D302-L359 WeakPolarHBondContact O-CD1 3.48Å
303H98.9Very high98.3Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-66.2-36.5175.7-71.8177.7000112.6T51 L54 L94 T96 I97 E299 I301 M306 K307T51-H303 WeakPolarHBondContact CA-NE2 3.31Å; T51-H303 PolarHBondContact OG1-NE2 2.78Å; L54-H303 WeakPolarHBondContact CD1-NE2 3.37Å; L94-H303 PolarHBondContact O-CE1 2.73Å; L94-H303 VanDerWaalsContact O-CE1 3.28Å; T96-H303 PolarHBondContact N-ND1 3.5Å; T96-H303 PolarHBondContact OG1-ND1 3.32Å; I97-H303 HydrophobicContact CB-CB 4.15Å; I97-H303 HydrophobicContact CG1-CB 4.39Å; E299-H303 WeakPolarHBondContact O-CB 3.07Å; E299-H303 PolarHBondContact O-N 2.81Å; I301-H303 PolarHBondContact O-N 3.08Å; H303-M306 PolarHBondContact O-N 2.9Å; H303-K307 WeakPolarHBondContact O-CG 3.32Å; H303-K307 PolarHBondContact O-N 3.45Å; H303-K307 VanDerWaalsContact O-N 3.11Å
304F98.9Very high98.1Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-62.4-52.3172.1175.6-131.1000111.4I97 V251 L254 Y255 L272 L279 I300 I301 D302 M306 K307 L308 F352I97-F304 HydrophobicContact CG1-CB 4.41Å; V251-F304 HydrophobicContact CG1-CB 3.6Å; V251-F304 HydrophobicContact CG1-CD1 4.12Å; V251-F304 HydrophobicContact CG1-CD2 3.99Å; V251-F304 HydrophobicContact CG1-CG 3.64Å; L254-F304 HydrophobicContact CD2-CE2 4.18Å; L254-F304 HydrophobicContact CD2-CZ 3.71Å; Y255-F304 HydrophobicContact CD2-CD2 4.1Å; Y255-F304 AromaticContact CD2-CE2 3.81Å; Y255-F304 HydrophobicContact CD2-CE2 3.81Å; Y255-F304 HydrophobicContact CG-CD2 4.11Å; Y255-F304 HydrophobicContact CG-CE2 4.07Å; L272-F304 HydrophobicContact CD1-CZ 4.09Å; L272-F304 HydrophobicContact CD2-CE1 4.03Å; L272-F304 HydrophobicContact CD2-CZ 3.74Å; L279-F304 HydrophobicContact CD1-CE1 4.24Å; I300-F304 WeakPolarHBondContact O-CB 2.93Å; I300-F304 PolarHBondContact O-N 2.94Å; I301-F304 WeakPolarHBondContact O-CB 3.36Å; I301-F304 PolarHBondContact O-N 2.94Å; D302-F304 PolarHBondContact O-N 3.36Å; F304-M306 VanDerWaalsContact C-N 3.27Å; F304-M306 PolarHBondContact O-N 2.84Å; F304-K307 WeakPolarHBondContact O-CB 3.45Å; F304-K307 PolarHBondContact O-N 3.27Å; F304-L308 HydrophobicContact CD1-CD1 4.45Å; F304-L308 HydrophobicContact CD2-CD2 4.45Å; F304-L308 HydrophobicContact CD2-CG 4.4Å; F304-L308 HydrophobicContact CE1-CD1 4.01Å; F304-L308 HydrophobicContact CE2-CD1 4.17Å; F304-L308 HydrophobicContact CE2-CD2 3.84Å; F304-L308 HydrophobicContact CE2-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 3.87Å; F304-L308 HydrophobicContact CZ-CD2 4.19Å; F304-L308 HydrophobicContact CZ-CG 4.33Å; F304-L308 WeakPolarHBondContact O-CG 3.38Å; F304-L308 PolarHBondContact O-N 3.42Å; F304-L308 VanDerWaalsContact O-N 3.09Å; F304-F352 HydrophobicContact CD1-CZ 4.18Å; F304-F352 HydrophobicContact CE1-CE1 4.21Å; F304-F352 AromaticContact CE1-CZ 3.95Å; F304-F352 HydrophobicContact CE1-CZ 3.95Å
305I98.9Very high97.8Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-58.9-39.8177.3-64.9-69.3000111I301 D302 K307 L308 R309 F352 L359 P365I301-I305 HydrophobicContact CG2-CG1 4.12Å; I301-I305 WeakPolarHBondContact O-CB 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.33Å; I301-I305 PolarHBondContact O-N 3.28Å; D302-I305 PolarHBondContact O-N 2.92Å; I305-K307 VanDerWaalsContact C-N 3.28Å; I305-K307 PolarHBondContact O-N 2.7Å; I305-L308 HydrophobicContact CD1-CD1 4.33Å; I305-L308 WeakPolarHBondContact O-CB 3.45Å; I305-L308 PolarHBondContact O-N 3.31Å; I305-L308 VanDerWaalsContact O-N 3.11Å; I305-R309 HydrophobicContact CG2-CG 4.39Å; I305-R309 WeakPolarHBondContact O-CG 3.41Å; I305-R309 PolarHBondContact O-N 2.82Å; I305-F352 HydrophobicContact CD1-CD1 3.83Å; I305-F352 HydrophobicContact CD1-CE1 4.05Å; I305-F352 HydrophobicContact CD1-CG 4.47Å; I305-L359 HydrophobicContact CB-CD1 4.25Å; I305-L359 HydrophobicContact CG2-CD1 3.99Å; I305-P365 HydrophobicContact CD1-CG 3.62Å; I305-P365 HydrophobicContact CG2-CG 4.29Å
306M98.7Very high97.4Very high0 Ų011.2 Ų11.20%06%0.056CC..Hα-helixtrans-58.9-40175.5-175.7-177.2-53.700111.7T51 L54 W55 V58 L90 D302 H303 F304 R309 I310 L359T51-M306 HydrophobicContact CG2-CE 4.42Å; L54-M306 HydrophobicContact CB-CE 3.77Å; L54-M306 HydrophobicContact CB-SD 3.63Å; W55-M306 HydrophobicContact CB-CE 3.99Å; W55-M306 HydrophobicContact CE3-CE 4.1Å; W55-M306 HydrophobicContact CE3-CG 3.86Å; W55-M306 HydrophobicContact CE3-SD 4.38Å; W55-M306 HydrophobicContact CZ3-CG 4.06Å; V58-M306 HydrophobicContact CG2-CG 4.02Å; V58-M306 HydrophobicContact CG2-SD 4.07Å; L90-M306 HydrophobicContact CD1-CG 4.37Å; L90-M306 HydrophobicContact CD1-SD 3.8Å; D302-M306 WeakPolarHBondContact O-CB 3.49Å; D302-M306 PolarHBondContact O-N 2.79Å; H303-M306 PolarHBondContact O-N 2.9Å; F304-M306 VanDerWaalsContact C-N 3.27Å; F304-M306 PolarHBondContact O-N 2.84Å; M306-R309 PolarHBondContact O-N 3.08Å; M306-I310 PolarHBondContact O-N 3.08Å; M306-L359 HydrophobicContact CB-CD1 4.33Å; M306-L359 HydrophobicContact CE-CD2 3.93Å
307K98.7Very high96.9Very high0 Ų010.2 Ų10.20%06%0.057CC..Hα-helixtrans-66-38.8173.5-69.7-50.4-172.4-67.30113.2E95 I97 G99 V100 Y255 H303 F304 I305 R309 I310E95-K307 WeakPolarHBondContact OE1-CE 3.46Å; E95-K307 IonicContact OE1-NZ 2.75Å; E95-K307 PolarHBondContact OE1-NZ 2.82Å; I97-K307 HydrophobicContact CG2-CG 4.46Å; I97-K307 WeakPolarHBondContact O-CE 3.25Å; I97-K307 PolarHBondContact O-NZ 3.03Å; G99-K307 VanDerWaalsContact O-CD 3.28Å; G99-K307 WeakPolarHBondContact O-CD 3.37Å; G99-K307 WeakPolarHBondContact O-CE 3.29Å; V100-K307 HydrophobicContact CG1-CD 4.46Å; Y255-K307 HydrophobicContact CD1-CG 4.48Å; Y255-K307 HydrophobicContact CD2-CB 4.45Å; Y255-K307 HydrophobicContact CE1-CB 3.84Å; Y255-K307 HydrophobicContact CE1-CD 4.46Å; Y255-K307 HydrophobicContact CE1-CG 3.8Å; Y255-K307 HydrophobicContact CE2-CB 3.77Å; Y255-K307 VanDerWaalsContact CZ-CB 3.45Å; H303-K307 WeakPolarHBondContact O-CG 3.32Å; H303-K307 PolarHBondContact O-N 3.45Å; H303-K307 VanDerWaalsContact O-N 3.11Å; F304-K307 WeakPolarHBondContact O-CB 3.45Å; F304-K307 PolarHBondContact O-N 3.27Å; I305-K307 VanDerWaalsContact C-N 3.28Å; I305-K307 PolarHBondContact O-N 2.7Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 PolarHBondContact O-N 3.36Å; K307-I310 HydrophobicContact CD-CD1 3.94Å; K307-I310 VanDerWaalsContact O-CG1 3.3Å; K307-I310 WeakPolarHBondContact O-CG1 3.34Å; K307-I310 PolarHBondContact O-N 3.43Å
308L98.7Very high96.3Very high0 Ų015.6 Ų15.60%09%0.086CC..Hα-helixtrans-65-34174.7-56.7-177.5000111.9Y255 Y258 L272 F304 I305 I310 V311 V330 P365Y255-L308 HydrophobicContact CD2-CD2 4.16Å; Y255-L308 HydrophobicContact CE2-CD2 4.19Å; Y258-L308 HydrophobicContact CD1-CD2 3.84Å; Y258-L308 HydrophobicContact CE1-CD2 3.74Å; L272-L308 HydrophobicContact CD1-CD2 4.34Å; L272-L308 HydrophobicContact CD2-CD1 3.75Å; F304-L308 HydrophobicContact CD1-CD1 4.45Å; F304-L308 HydrophobicContact CD2-CD2 4.45Å; F304-L308 HydrophobicContact CD2-CG 4.4Å; F304-L308 HydrophobicContact CE1-CD1 4.01Å; F304-L308 HydrophobicContact CE2-CD1 4.17Å; F304-L308 HydrophobicContact CE2-CD2 3.84Å; F304-L308 HydrophobicContact CE2-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 3.87Å; F304-L308 HydrophobicContact CZ-CD2 4.19Å; F304-L308 HydrophobicContact CZ-CG 4.33Å; F304-L308 WeakPolarHBondContact O-CG 3.38Å; F304-L308 PolarHBondContact O-N 3.42Å; F304-L308 VanDerWaalsContact O-N 3.09Å; I305-L308 HydrophobicContact CD1-CD1 4.33Å; I305-L308 WeakPolarHBondContact O-CB 3.45Å; I305-L308 PolarHBondContact O-N 3.31Å; I305-L308 VanDerWaalsContact O-N 3.11Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 PolarHBondContact O-N 3.31Å; L308-V311 WeakPolarHBondContact O-CG2 3.5Å; L308-V330 HydrophobicContact CB-CG1 4Å; L308-V330 HydrophobicContact CD1-CG1 4.13Å; L308-V330 HydrophobicContact CD2-CG1 3.94Å; L308-V330 HydrophobicContact CG-CG1 4.21Å; L308-P365 HydrophobicContact CB-CB 4.42Å; L308-P365 HydrophobicContact CD1-CB 4.1Å; L308-P365 HydrophobicContact CD1-CG 4.16Å
309R97.9Very high95.9Very high32 Ų3216 Ų1612%0.1219%0.087CC..Hα-helixtrans-69.7-18.8178.1-77.6179.2-174.8-158.14.6114.8W55 I305 M306 K307 S355 L359 G360 A362 E364W55-R309 HydrophobicContact CH2-CB 4.37Å; W55-R309 VanDerWaalsContact CH2-CD 3.41Å; W55-R309 HydrophobicContact CH2-CG 4.48Å; W55-R309 HydrophobicContact CZ3-CB 4.32Å; I305-R309 HydrophobicContact CG2-CG 4.39Å; I305-R309 WeakPolarHBondContact O-CG 3.41Å; I305-R309 PolarHBondContact O-N 2.82Å; M306-R309 PolarHBondContact O-N 3.08Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 PolarHBondContact O-N 3.36Å; R309-S355 PolarHBondContact NH2-O 2.72Å; R309-L359 PolarHBondContact NH1-O 3.31Å; R309-G360 PolarHBondContact NH1-O 3.3Å; R309-G360 PolarHBondContact NH2-O 3.35Å; R309-A362 HydrophobicContact CG-CB 4.39Å; R309-E364 WeakPolarHBondContact CG-O 3.5Å; R309-E364 PolarHBondContact NE-O 3.08Å
310I97.2Very high95.2Very high10 Ų1016.2 Ų16.25%0.0519%0.09CC..THydrogen-bonded Turntrans-106.411-17866.2171.7000113.3V58 L90 V100 F106 M306 K307 L308V58-I310 HydrophobicContact CG1-CG2 3.79Å; V58-I310 HydrophobicContact CG2-CG2 4.11Å; L90-I310 HydrophobicContact CD1-CD1 4.42Å; V100-I310 HydrophobicContact CG1-CD1 3.84Å; F106-I310 HydrophobicContact CD2-CG2 4.44Å; F106-I310 HydrophobicContact CE2-CB 4.09Å; F106-I310 HydrophobicContact CE2-CG2 3.6Å; F106-I310 HydrophobicContact CZ-CG2 4.22Å; M306-I310 PolarHBondContact O-N 3.08Å; K307-I310 HydrophobicContact CD-CD1 3.94Å; K307-I310 VanDerWaalsContact O-CG1 3.3Å; K307-I310 WeakPolarHBondContact O-CG1 3.34Å; K307-I310 PolarHBondContact O-N 3.43Å; L308-I310 VanDerWaalsContact C-N 3.29Å; L308-I310 PolarHBondContact O-N 3.31Å
311V97.8Very high94.4Very high8 Ų820.6 Ų20.65%0.04811%0.11CC..  trans-65.9130.9170.6-1800000109.5Y258 I262 L308 F313 T328 V330Y258-V311 HydrophobicContact CE1-CG2 4.2Å; I262-V311 HydrophobicContact CB-CG1 4.37Å; I262-V311 HydrophobicContact CD1-CB 4.34Å; I262-V311 HydrophobicContact CD1-CG1 3.88Å; I262-V311 HydrophobicContact CD1-CG2 3.59Å; I262-V311 HydrophobicContact CG2-CG1 4.22Å; L308-V311 WeakPolarHBondContact O-CG2 3.5Å; V311-F313 HydrophobicContact CG1-CE2 4.09Å; V311-F313 HydrophobicContact CG1-CZ 4.35Å; V311-T328 HydrophobicContact CB-CG2 4.47Å; V311-T328 HydrophobicContact CG1-CG2 4.1Å; V311-V330 HydrophobicContact CB-CG2 4.36Å; V311-V330 HydrophobicContact CG2-CG2 4.37Å
312K95.2Very high93.5Very high8 Ų821.6 Ų21.64%0.03512%0.115CC..  trans-146.5148.1-175.6-68177.9177.9-77.70112.1E65 Q101 F106 R108 D326E65-K312 WeakPolarHBondContact OE1-CE 3.37Å; E65-K312 IonicContact OE1-NZ 2.81Å; E65-K312 PolarHBondContact OE1-NZ 3.3Å; E65-K312 IonicContact OE2-NZ 2.79Å; E65-K312 PolarHBondContact OE2-NZ 2.92Å; Q101-K312 PolarHBondContact NE2-O 3.29Å; Q101-K312 PolarHBondContact OE1-O 2.74Å; Q101-K312 VanDerWaalsContact OE1-O 3.11Å; F106-K312 HydrophobicContact CD1-CD 4.18Å; F106-K312 HydrophobicContact CG-CD 4.37Å; R108-K312 HydrophobicContact CG-CB 4.01Å; K312-D326 IonicContact NZ-OD2 2.78Å; K312-D326 PolarHBondContact NZ-OD2 3.42Å
313F95.5Very high92.8Very high2 Ų221.7 Ų21.71%0.00912%0.116CC..  trans-132.4141.2175.3-66.6-65.9000111Q101 R108 Q111 I262 Q265 N266 M270 V311 R315 T328Q101-F313 VanDerWaalsContact NE2-CE1 3.35Å; R108-F313 VanDerWaalsContact CD-C 3.47Å; R108-F313 WeakPolarHBondContact CD-O 3.21Å; R108-F313 PolarHBondContact NH1-O 2.93Å; Q111-F313 VanDerWaalsContact OE1-CD1 3.28Å; I262-F313 HydrophobicContact CB-CE1 4.48Å; I262-F313 HydrophobicContact CB-CZ 3.92Å; I262-F313 HydrophobicContact CG2-CZ 4.1Å; I262-F313 WeakPolarHBondContact O-CE1 3.49Å; Q265-F313 WeakPolarHBondContact O-CE1 3.41Å; Q265-F313 WeakPolarHBondContact O-CZ 3.39Å; N266-F313 HydrophobicContact CB-CD1 3.71Å; N266-F313 HydrophobicContact CB-CE1 4.09Å; N266-F313 HydrophobicContact CB-CG 4.13Å; M270-F313 HydrophobicContact CG-CE2 3.72Å; M270-F313 HydrophobicContact CG-CZ 3.79Å; V311-F313 HydrophobicContact CG1-CE2 4.09Å; V311-F313 HydrophobicContact CG1-CZ 4.35Å; F313-R315 PolarHBondContact O-N 2.92Å; F313-T328 HydrophobicContact CD2-CG2 4.09Å; F313-T328 HydrophobicContact CE2-CG2 4.33Å
314A93.4Very high91.8Very high18 Ų1822 Ų2215%0.14912%0.118CC..  trans-69126.1169.600000109.5M74 R108 A122M74-A314 HydrophobicContact CE-CB 3.36Å; M74-A314 HydrophobicContact SD-CB 3.83Å; R108-A314 HydrophobicContact CB-CB 4.3Å; A122-A314 HydrophobicContact CB-CB 4.37Å
315R92.5Very high91.1Very high10 Ų1022.6 Ų22.64%0.03812%0.123CC..  trans-129.5150.6-176.8-59.5-59.7-173.1-176.91.3109.8N266 G267 F313 Y319 N320N266-R315 PolarHBondContact O-NH1 3.06Å; N266-R315 PolarHBondContact O-NH2 3.47Å; G267-R315 PolarHBondContact O-NH2 3.02Å; F313-R315 PolarHBondContact O-N 2.92Å; R315-Y319 HydrophobicContact CB-CD1 3.61Å; R315-Y319 HydrophobicContact CB-CE1 4.29Å; R315-Y319 HydrophobicContact CB-CG 4.04Å; R315-Y319 HydrophobicContact CG-CD1 3.53Å; R315-Y319 HydrophobicContact CG-CE1 3.68Å; R315-Y319 HydrophobicContact CG-CG 4.2Å; R315-N320 WeakPolarHBondContact CB-OD1 3.42Å
316T91.6Very high90.5Very high23 Ų2324.2 Ų24.214%0.14113%0.132CC..  trans-77.4159.7174.559.60000111M118 A121 A122 D318 Y319 N320M118-T316 HydrophobicContact CB-CG2 3.86Å; M118-T316 HydrophobicContact CG-CG2 4.21Å; M118-T316 WeakPolarHBondContact O-CG2 3.42Å; A121-T316 HydrophobicContact CB-CG2 4.06Å; A122-T316 HydrophobicContact CB-CG2 4.35Å; T316-D318 VanDerWaalsContact C-N 3.28Å; T316-D318 PolarHBondContact O-N 3.21Å; T316-Y319 WeakPolarHBondContact O-CB 3.5Å; T316-Y319 PolarHBondContact O-N 2.93Å; T316-Y319 VanDerWaalsContact O-N 3.09Å; T316-Y319 PolarHBondContact OG1-N 3.35Å; T316-N320 PolarHBondContact O-N 2.79Å
317P87.5Confident90.2Very high63 Ų6324.5 Ų24.541%0.40913%0.134SC..Hα-helixtrans-52.7-44.3170.2-28.536.5000113A125 Y319 N320 E321A125-P317 HydrophobicContact CB-CG 3.71Å; P317-Y319 VanDerWaalsContact C-N 3.29Å; P317-Y319 PolarHBondContact O-N 3.28Å; P317-N320 WeakPolarHBondContact O-CB 3.37Å; P317-N320 PolarHBondContact O-N 2.85Å; P317-E321 PolarHBondContact O-N 3.47Å
318D86Confident90Very high114 Ų11424.7 Ų24.761%0.6114%0.135SC*.Hα-helixtrans-57.5-39.3176.4-70.33.6000112.8T316 E321 L322T316-D318 VanDerWaalsContact C-N 3.28Å; T316-D318 PolarHBondContact O-N 3.21Å; D318-E321 PolarHBondContact O-N 3.37Å; D318-L322 PolarHBondContact O-N 3.2Å
319Y90Very high89.9Confident8 Ų824.7 Ų24.73%0.03114%0.135CC..Hα-helixtrans-65.5-44.3174.9-178.9-80000110.6Y173 A268 R315 T316 P317 E321 L322 F323Y173-Y319 AromaticContact CD1-CD2 3.79Å; Y173-Y319 HydrophobicContact CD1-CD2 3.79Å; Y173-Y319 HydrophobicContact CD1-CE2 4.05Å; Y173-Y319 HydrophobicContact CD2-CD2 4.43Å; Y173-Y319 AromaticContact CD2-CE2 3.87Å; Y173-Y319 HydrophobicContact CD2-CE2 3.87Å; Y173-Y319 HydrophobicContact CE1-CD2 4.41Å; Y173-Y319 HydrophobicContact CE2-CE2 4.38Å; Y173-Y319 AromaticContact CG-CD2 3.82Å; Y173-Y319 HydrophobicContact CG-CD2 3.82Å; Y173-Y319 AromaticContact CG-CE2 3.7Å; Y173-Y319 HydrophobicContact CG-CE2 3.7Å; A268-Y319 WeakPolarHBondContact CA-OH 3.48Å; R315-Y319 HydrophobicContact CB-CD1 3.61Å; R315-Y319 HydrophobicContact CB-CE1 4.29Å; R315-Y319 HydrophobicContact CB-CG 4.04Å; R315-Y319 HydrophobicContact CG-CD1 3.53Å; R315-Y319 HydrophobicContact CG-CE1 3.68Å; R315-Y319 HydrophobicContact CG-CG 4.2Å; T316-Y319 WeakPolarHBondContact O-CB 3.5Å; T316-Y319 PolarHBondContact O-N 2.93Å; T316-Y319 VanDerWaalsContact O-N 3.09Å; T316-Y319 PolarHBondContact OG1-N 3.35Å; P317-Y319 VanDerWaalsContact C-N 3.29Å; P317-Y319 PolarHBondContact O-N 3.28Å; Y319-E321 PolarHBondContact O-N 3.05Å; Y319-L322 PolarHBondContact O-N 3.19Å; Y319-F323 HydrophobicContact CD1-CB 4.08Å; Y319-F323 HydrophobicContact CD1-CD2 4.01Å; Y319-F323 AromaticContact CD2-CD2 3.63Å; Y319-F323 HydrophobicContact CD2-CD2 3.63Å; Y319-F323 AromaticContact CD2-CE2 3.96Å; Y319-F323 HydrophobicContact CD2-CE2 3.96Å; Y319-F323 HydrophobicContact CE1-CB 3.61Å; Y319-F323 AromaticContact CE1-CD2 3.79Å; Y319-F323 HydrophobicContact CE1-CD2 3.79Å; Y319-F323 HydrophobicContact CE1-CG 4.03Å; Y319-F323 AromaticContact CE2-CD2 3.39Å; Y319-F323 HydrophobicContact CE2-CD2 3.39Å; Y319-F323 AromaticContact CE2-CE2 3.67Å; Y319-F323 HydrophobicContact CE2-CE2 3.67Å; Y319-F323 HydrophobicContact CE2-CG 4.25Å; Y319-F323 AromaticContact CG-CD2 3.93Å; Y319-F323 HydrophobicContact CG-CD2 3.93Å; Y319-F323 AromaticContact CZ-CD2 3.47Å; Y319-F323 VanDerWaalsContact CZ-CD2 3.47Å; Y319-F323 AromaticContact CZ-CG 3.88Å; Y319-F323 PolarHBondContact O-N 2.94Å
320N85.7Confident89.9Confident38 Ų3823.2 Ų23.220%0.20313%0.13CC..Hα-helixtrans-65.2-25.7-179.1-65.3-22.2000112.8Y126 R315 T316 P317 F323 S324Y126-N320 PolarHBondContact OH-ND2 2.9Å; Y126-N320 VanDerWaalsContact OH-ND2 3.14Å; R315-N320 WeakPolarHBondContact CB-OD1 3.42Å; T316-N320 PolarHBondContact O-N 2.79Å; P317-N320 WeakPolarHBondContact O-CB 3.37Å; P317-N320 PolarHBondContact O-N 2.85Å; N320-F323 CarbonylContact O-C 3.58Å; N320-S324 WeakPolarHBondContact O-CA 3.28Å; N320-S324 PolarHBondContact O-N 2.93Å
321E81.3Confident90Very high99 Ų9922.7 Ų22.746%0.46313%0.127SC..Hα-helixtrans-71.6-38.5170.6-69-172.1178.200112.6P317 D318 Y319 T602 V606P317-E321 PolarHBondContact O-N 3.47Å; D318-E321 PolarHBondContact O-N 3.37Å; Y319-E321 PolarHBondContact O-N 3.05Å; E321-T602 WeakPolarHBondContact O-CB 3.48Å; E321-T602 WeakPolarHBondContact O-CG2 3.4Å; E321-V606 HydrophobicContact CB-CG2 4.34Å
322L79.9Confident90.1Very high21 Ų2122.3 Ų22.311%0.1113%0.125CC..Hα-helixtrans-77.8-28.6178.8-74.1166000113.3D318 Y319 T602 V606D318-L322 PolarHBondContact O-N 3.2Å; Y319-L322 PolarHBondContact O-N 3.19Å; L322-T602 VanDerWaalsContact O-CB 3.3Å; L322-T602 WeakPolarHBondContact O-CB 3.11Å; L322-T602 PolarHBondContact O-N 3.43Å; L322-T602 PolarHBondContact O-OG1 3.25Å; L322-V606 HydrophobicContact CD2-CB 4.04Å; L322-V606 HydrophobicContact CD2-CG1 3.98Å; L322-V606 HydrophobicContact CD2-CG2 3.88Å; L322-V606 HydrophobicContact CG-CG2 4.33Å
323F83.7Confident90.2Very high2 Ų222 Ų221%0.00912%0.123CC..SBendtrans-138.879.2-173.1-56.1-73.5000109.7Y173 Y319 N320 P327 W329 F427 I601Y173-F323 AromaticContact CE1-CE2 3.97Å; Y173-F323 HydrophobicContact CE1-CE2 3.97Å; Y173-F323 HydrophobicContact CE2-CE2 4.22Å; Y173-F323 HydrophobicContact CE2-CZ 4.29Å; Y173-F323 AromaticContact CZ-CE2 3.72Å; Y173-F323 AromaticContact CZ-CZ 3.87Å; Y173-F323 WeakPolarHBondContact OH-CZ 3.36Å; Y319-F323 HydrophobicContact CD1-CB 4.08Å; Y319-F323 HydrophobicContact CD1-CD2 4.01Å; Y319-F323 AromaticContact CD2-CD2 3.63Å; Y319-F323 HydrophobicContact CD2-CD2 3.63Å; Y319-F323 AromaticContact CD2-CE2 3.96Å; Y319-F323 HydrophobicContact CD2-CE2 3.96Å; Y319-F323 HydrophobicContact CE1-CB 3.61Å; Y319-F323 AromaticContact CE1-CD2 3.79Å; Y319-F323 HydrophobicContact CE1-CD2 3.79Å; Y319-F323 HydrophobicContact CE1-CG 4.03Å; Y319-F323 AromaticContact CE2-CD2 3.39Å; Y319-F323 HydrophobicContact CE2-CD2 3.39Å; Y319-F323 AromaticContact CE2-CE2 3.67Å; Y319-F323 HydrophobicContact CE2-CE2 3.67Å; Y319-F323 HydrophobicContact CE2-CG 4.25Å; Y319-F323 AromaticContact CG-CD2 3.93Å; Y319-F323 HydrophobicContact CG-CD2 3.93Å; Y319-F323 AromaticContact CZ-CD2 3.47Å; Y319-F323 VanDerWaalsContact CZ-CD2 3.47Å; Y319-F323 AromaticContact CZ-CG 3.88Å; Y319-F323 PolarHBondContact O-N 2.94Å; N320-F323 CarbonylContact O-C 3.58Å; F323-P327 HydrophobicContact CB-CG 4.03Å; F323-P327 VanDerWaalsContact O-CD 3.3Å; F323-P327 WeakPolarHBondContact O-CD 3.36Å; F323-W329 HydrophobicContact CB-CH2 3.91Å; F323-W329 AromaticContact CD1-CH2 3.45Å; F323-W329 HydrophobicContact CD1-CH2 3.45Å; F323-W329 VanDerWaalsContact CD1-CH2 3.45Å; F323-W329 AromaticContact CD1-CZ2 3.97Å; F323-W329 HydrophobicContact CD1-CZ2 3.97Å; F323-W329 HydrophobicContact CE1-CH2 4.21Å; F323-W329 AromaticContact CG-CH2 3.92Å; F323-W329 HydrophobicContact CG-CH2 3.92Å; F323-F427 HydrophobicContact CZ-CE1 4.44Å; F323-I601 HydrophobicContact CD1-CB 4.23Å; F323-I601 HydrophobicContact CD1-CG1 4.18Å; F323-I601 HydrophobicContact CD1-CG2 3.96Å; F323-I601 HydrophobicContact CE1-CG1 4.16Å
324S79.7Confident90.4Very high6 Ų621.9 Ų21.94%0.04212%0.123CC..  trans-74.8150-171.155.30000114.1N320 T602 Y725 V727 Q736N320-S324 WeakPolarHBondContact O-CA 3.28Å; N320-S324 PolarHBondContact O-N 2.93Å; S324-T602 PolarHBondContact N-OG1 2.65Å; S324-T602 VanDerWaalsContact N-OG1 3.08Å; S324-T602 PolarHBondContact OG-OG1 3.15Å; S324-Y725 PolarHBondContact N-OH 2.92Å; S324-Y725 WeakPolarHBondContact O-CE2 3.46Å; S324-Y725 PolarHBondContact O-OH 2.89Å; S324-Y725 PolarHBondContact OG-OH 3.43Å; S324-Y725 VanDerWaalsContact OG-OH 3.13Å; S324-V727 WeakPolarHBondContact O-CG1 3.47Å; S324-Q736 VanDerWaalsContact CB-CD 3.49Å; S324-Q736 VanDerWaalsContact CB-NE2 3.3Å
325G82.6Confident90.7Very high12 Ų1221 Ų2112%0.12412%0.116CC..SBendtrans89.719.4170.300000115.7
326D87.3Confident90.9Very high34 Ų3420.6 Ų20.618%0.18211%0.114CC..SBendtrans57.848.1-178.3-161.134000113.8R108 K312 K731R108-D326 IonicContact CZ-OD1 2.76Å; R108-D326 IonicContact CZ-OD2 2.76Å; R108-D326 IonicContact NH1-OD1 2.71Å; R108-D326 PolarHBondContact NH1-OD1 3.41Å; R108-D326 IonicContact NH1-OD2 3.67Å; R108-D326 IonicContact NH2-OD1 3.21Å; R108-D326 PolarHBondContact NH2-OD1 2.81Å; R108-D326 IonicContact NH2-OD2 3.68Å; R108-D326 PolarHBondContact NH2-OD2 3.03Å; K312-D326 IonicContact NZ-OD2 2.78Å; K312-D326 PolarHBondContact NZ-OD2 3.42Å; D326-K731 IonicContact OD2-NZ 3.31Å
327P92.3Very high91.3Very high6 Ų619.5 Ų19.54%0.03911%0.108CC..  trans-77148.9-17432.5-35.2000113F323 W329 Y725F323-P327 HydrophobicContact CB-CG 4.03Å; F323-P327 VanDerWaalsContact O-CD 3.3Å; F323-P327 WeakPolarHBondContact O-CD 3.36Å; P327-W329 HydrophobicContact CB-CD2 4.14Å; P327-W329 HydrophobicContact CB-CE3 3.93Å; P327-W329 HydrophobicContact CB-CH2 3.79Å; P327-W329 HydrophobicContact CB-CZ2 3.95Å; P327-W329 HydrophobicContact CB-CZ3 3.77Å; P327-W329 HydrophobicContact CG-CE3 4.32Å; P327-W329 HydrophobicContact CG-CH2 3.4Å; P327-W329 VanDerWaalsContact CG-CH2 3.4Å; P327-W329 HydrophobicContact CG-CZ2 3.89Å; P327-W329 HydrophobicContact CG-CZ3 3.64Å; P327-Y725 HydrophobicContact CB-CD2 3.73Å; P327-Y725 HydrophobicContact CB-CE2 3.56Å; P327-Y725 HydrophobicContact CG-CE2 3.96Å
328T94.8Very high91.8Very high4 Ų416.5 Ų16.53%0.0259%0.088CC..  trans-126.2-16.7175.654.60000112.8M270 V311 F313 V330 E364M270-T328 PolarHBondContact N-O 2.82Å; V311-T328 HydrophobicContact CB-CG2 4.47Å; V311-T328 HydrophobicContact CG1-CG2 4.1Å; F313-T328 HydrophobicContact CD2-CG2 4.09Å; F313-T328 HydrophobicContact CE2-CG2 4.33Å; T328-V330 WeakPolarHBondContact OG1-CG2 3.46Å; T328-E364 PolarHBondContact N-OE1 3.12Å; T328-E364 PolarHBondContact OG1-OE1 2.82Å
329W96.5Very high92.3Very high1 Ų116.2 Ų16.20%0.0049%0.085CC..  trans47.857-175.3-58.8-96000111.8A268 A269 M270 S271 F323 P327 T331 E364 C414 I601 Y725A268-W329 HydrophobicContact CB-CZ3 4.42Å; A268-W329 WeakPolarHBondContact O-CZ3 3.2Å; A269-W329 HydrophobicContact CB-CB 3.65Å; A269-W329 HydrophobicContact CB-CD2 4.15Å; A269-W329 HydrophobicContact CB-CE3 4.12Å; A269-W329 HydrophobicContact CB-CG 4.01Å; M270-W329 CarbonylContact C-O 3.59Å; S271-W329 WeakPolarHBondContact CA-O 3.45Å; S271-W329 PolarHBondContact N-O 2.73Å; S271-W329 PolarHBondContact OG-O 2.67Å; F323-W329 HydrophobicContact CB-CH2 3.91Å; F323-W329 AromaticContact CD1-CH2 3.45Å; F323-W329 HydrophobicContact CD1-CH2 3.45Å; F323-W329 VanDerWaalsContact CD1-CH2 3.45Å; F323-W329 AromaticContact CD1-CZ2 3.97Å; F323-W329 HydrophobicContact CD1-CZ2 3.97Å; F323-W329 HydrophobicContact CE1-CH2 4.21Å; F323-W329 AromaticContact CG-CH2 3.92Å; F323-W329 HydrophobicContact CG-CH2 3.92Å; P327-W329 HydrophobicContact CB-CD2 4.14Å; P327-W329 HydrophobicContact CB-CE3 3.93Å; P327-W329 HydrophobicContact CB-CH2 3.79Å; P327-W329 HydrophobicContact CB-CZ2 3.95Å; P327-W329 HydrophobicContact CB-CZ3 3.77Å; P327-W329 HydrophobicContact CG-CE3 4.32Å; P327-W329 HydrophobicContact CG-CH2 3.4Å; P327-W329 VanDerWaalsContact CG-CH2 3.4Å; P327-W329 HydrophobicContact CG-CZ2 3.89Å; P327-W329 HydrophobicContact CG-CZ3 3.64Å; W329-T331 PolarHBondContact O-N 3.41Å; W329-T331 PolarHBondContact O-OG1 2.88Å; W329-E364 WeakPolarHBondContact CA-OE1 3.3Å; W329-E364 PolarHBondContact N-OE1 2.88Å; W329-C414 PolarHBondContact NE1-SG 3.48Å; W329-I601 HydrophobicContact CZ2-CD1 4.24Å; W329-I601 HydrophobicContact CZ2-CG1 4.38Å; W329-I601 HydrophobicContact CZ2-CG2 3.99Å; W329-Y725 AromaticContact NE1-CD1 3.9Å; W329-Y725 AromaticContact NE1-CG 3.59Å
330V98.2Very high92.7Very high0 Ų019.6 Ų19.60%010%0.104CC..  trans-73.869.3169.5-168.40000107.8Y258 L272 L308 V311 T328 E332 E364 P365 N366Y258-V330 HydrophobicContact CE1-CG1 4.08Å; Y258-V330 WeakPolarHBondContact OH-CG1 3.42Å; Y258-V330 VanDerWaalsContact OH-CG2 3.26Å; Y258-V330 WeakPolarHBondContact OH-CG2 3.02Å; L272-V330 HydrophobicContact CB-CG1 4.08Å; L308-V330 HydrophobicContact CB-CG1 4Å; L308-V330 HydrophobicContact CD1-CG1 4.13Å; L308-V330 HydrophobicContact CD2-CG1 3.94Å; L308-V330 HydrophobicContact CG-CG1 4.21Å; V311-V330 HydrophobicContact CB-CG2 4.36Å; V311-V330 HydrophobicContact CG2-CG2 4.37Å; T328-V330 WeakPolarHBondContact OG1-CG2 3.46Å; V330-E332 PolarHBondContact O-N 3.09Å; V330-E364 PolarHBondContact N-OE2 2.93Å; V330-P365 HydrophobicContact CB-CB 4.25Å; V330-P365 HydrophobicContact CG1-CB 4.26Å; V330-P365 CarbonylContact O-C 3.56Å; V330-P365 WeakPolarHBondContact O-CA 3.41Å; V330-P365 WeakPolarHBondContact O-CB 3.36Å; V330-N366 PolarHBondContact O-N 3.04Å
331T98.8Very high93.2Very high0 Ų019.2 Ų19.20%011%0.109CC..EExtended strand (participates in β ladder)trans-79.1124.7-170.1-52.10000110.1S271 L272 G273 W329 N366 T368 I411 C413S271-T331 PolarHBondContact OG-OG1 3.06Å; L272-T331 WeakPolarHBondContact CB-O 3.4Å; L272-T331 PolarHBondContact N-O 3.3Å; G273-T331 PolarHBondContact N-O 3.31Å; W329-T331 PolarHBondContact O-N 3.41Å; W329-T331 PolarHBondContact O-OG1 2.88Å; T331-N366 WeakPolarHBondContact CA-O 3.39Å; T331-N366 HydrophobicContact CG2-CB 4.41Å; T331-N366 WeakPolarHBondContact CG2-O 3.38Å; T331-N366 PolarHBondContact OG1-ND2 3.38Å; T331-T368 VanDerWaalsContact CG2-OG1 3.29Å; T331-T368 WeakPolarHBondContact CG2-OG1 3.04Å; T331-I411 WeakPolarHBondContact CB-O 3.35Å; T331-I411 HydrophobicContact CG2-CB 3.99Å; T331-I411 HydrophobicContact CG2-CG2 4.03Å; T331-I411 WeakPolarHBondContact CG2-O 3.39Å; T331-C413 PolarHBondContact OG1-O 3.1Å
332E98.9Very high94Very high0 Ų019.3 Ų19.30%011%0.105CC..EExtended strand (participates in β ladder)trans-114.4124.8173.5167.959.3-160.400108.6L272 G273 T275 S276 V330 I334 F352 N366 T368L272-E332 HydrophobicContact CD2-CB 4.3Å; G273-E332 CarbonylContact O-C 3.03Å; G273-E332 WeakPolarHBondContact O-CA 3.28Å; T275-E332 WeakPolarHBondContact CB-OE2 3.48Å; T275-E332 PolarHBondContact N-OE1 2.98Å; T275-E332 PolarHBondContact N-OE2 2.93Å; T275-E332 VanDerWaalsContact OG1-CD 3.25Å; T275-E332 PolarHBondContact OG1-OE1 3.29Å; T275-E332 PolarHBondContact OG1-OE2 3.42Å; S276-E332 VanDerWaalsContact CB-OE1 3.27Å; S276-E332 WeakPolarHBondContact CB-OE1 3.45Å; S276-E332 PolarHBondContact N-OE1 3.01Å; S276-E332 PolarHBondContact OG-OE1 3.39Å; V330-E332 PolarHBondContact O-N 3.09Å; E332-I334 HydrophobicContact CG-CD1 4.35Å; E332-I334 HydrophobicContact CG-CG1 3.85Å; E332-F352 HydrophobicContact CG-CD1 3.75Å; E332-F352 HydrophobicContact CG-CE1 3.76Å; E332-N366 PolarHBondContact N-O 3.24Å; E332-T368 PolarHBondContact O-N 3.24Å
333S98.9Very high94.9Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-92.5122.3178.2-50.10000109.6G273 R274 T368 G410 I411G273-S333 WeakPolarHBondContact O-CB 3.35Å; G273-S333 PolarHBondContact O-N 2.86Å; G273-S333 PolarHBondContact O-OG 3.24Å; R274-S333 WeakPolarHBondContact CG-O 3.37Å; S333-T368 CarbonylContact C-O 3.59Å; S333-T368 WeakPolarHBondContact CA-O 3.44Å; S333-G410 VanDerWaalsContact OG-CA 3.3Å; S333-G410 WeakPolarHBondContact OG-CA 3.43Å; S333-I411 PolarHBondContact OG-N 3.12Å
334I98.9Very high95.6Very high0 Ų019.1 Ų19.10%011%0.105CC..EExtended strand (participates in β ladder)trans-118.1135.4-169.5-55.4174.9000110.1E332 F352 L353 L367 T368 L370 F379E332-I334 HydrophobicContact CG-CD1 4.35Å; E332-I334 HydrophobicContact CG-CG1 3.85Å; I334-F352 HydrophobicContact CD1-CB 4.09Å; I334-L353 HydrophobicContact CD1-CD2 3.82Å; I334-L353 HydrophobicContact CD1-CG 4.33Å; I334-L367 HydrophobicContact CD1-CB 4.21Å; I334-L367 HydrophobicContact CD1-CD2 3.67Å; I334-L367 HydrophobicContact CD1-CG 4.5Å; I334-T368 PolarHBondContact N-O 2.87Å; I334-L370 PolarHBondContact O-N 3.28Å; I334-F379 HydrophobicContact CG2-CZ 3.92Å
335G98.6Very high96.5Very high1 Ų118.8 Ų18.81%0.0110%0.103CC..EExtended strand (participates in β ladder)trans77.1-127.9173.200000112.6R274 L344R274-G335 PolarHBondContact NH2-O 3.28Å; G335-L344 WeakPolarHBondContact O-CB 3.48Å
336G98.7Very high97.3Very high0 Ų018.2 Ų18.20%010%0.097CC..  trans78.9-169.5-169.300000113.4L344 L370 D398G336-L344 PolarHBondContact O-N 2.96Å; G336-L370 VanDerWaalsContact CA-O 3.3Å; G336-L370 WeakPolarHBondContact CA-O 3.42Å; G336-L370 PolarHBondContact N-O 2.78Å; G336-L370 VanDerWaalsContact N-O 3.16Å; G336-D398 WeakPolarHBondContact CA-OD2 3.47Å
337V98.6Very high97.8Very high0 Ų018.9 Ų18.90%010%0.098CC..BIsolated β-bridgetrans-131.9141.7-177.8-170.70000109.7G341 R342 R374 L375 D398 R402V337-G341 VanDerWaalsContact CG1-C 3.48Å; V337-G341 WeakPolarHBondContact CG1-O 3.43Å; V337-R342 WeakPolarHBondContact CG1-O 3.17Å; V337-R374 HydrophobicContact CG2-CB 4.32Å; V337-L375 HydrophobicContact CG2-CD2 4.4Å; V337-D398 PolarHBondContact N-OD2 3.37Å; V337-R402 WeakPolarHBondContact O-CD 3.34Å
338G98.4Very high98.1Very high0 Ų018.6 Ų18.60%010%0.096CC..  trans-65.615717200000112.1D340 G341 R342G338-D340 PolarHBondContact O-N 3.23Å; G338-D340 VanDerWaalsContact O-N 3.16Å; G338-G341 PolarHBondContact O-N 3.1Å; G338-R342 PolarHBondContact N-O 2.89Å
339I97.5Very high98.3Very high108 Ų10818.4 Ų18.455%0.55410%0.095SC*.THydrogen-bonded Turntrans-62.5-19.6169.669.1-178.3000111.8R27 G341 R402 D407R27-I339 VanDerWaalsContact NH2-CG1 3.31Å; I339-G341 PolarHBondContact O-N 3.46Å; I339-R402 HydrophobicContact CG2-CG 4.45Å; I339-D407 WeakPolarHBondContact CG1-OD2 3.43Å; I339-D407 HydrophobicContact CG2-CB 4Å; I339-D407 PolarHBondContact N-OD2 3.05Å
340D96.9Very high98.5Very high80 Ų8018.3 Ų18.343%0.42810%0.095SC..THydrogen-bonded Turntrans-79.2-1.9173.370.90000113.7G338 R342G338-D340 PolarHBondContact O-N 3.23Å; G338-D340 VanDerWaalsContact O-N 3.16Å; D340-R342 WeakPolarHBondContact OD1-CB 3.36Å; D340-R342 PolarHBondContact OD1-N 2.96Å; D340-R342 IonicContact OD1-NE 2.91Å; D340-R342 IonicContact OD2-CZ 3.17Å; D340-R342 IonicContact OD2-NE 2.72Å; D340-R342 PolarHBondContact OD2-NE 2.89Å; D340-R342 IonicContact OD2-NH2 2.72Å; D340-R342 PolarHBondContact OD2-NH2 3.26Å
341G96.5Very high98.5Very high29 Ų2918.3 Ų18.330%0.29910%0.095SC..SBendtrans87.3-6.4177.700000115.4V337 G338 I339V337-G341 VanDerWaalsContact CG1-C 3.48Å; V337-G341 WeakPolarHBondContact CG1-O 3.43Å; G338-G341 PolarHBondContact O-N 3.1Å; I339-G341 PolarHBondContact O-N 3.46Å
342R97.8Very high98.5Very high101 Ų10118.3 Ų18.338%0.38110%0.095SC..  trans-79.2136.1176.4-64.8-177.2-67.1150.12.6110.2Q31 Y34 V337 G338 D340Q31-R342 PolarHBondContact O-NH2 2.79Å; Y34-R342 WeakPolarHBondContact OH-CB 3.32Å; V337-R342 WeakPolarHBondContact CG1-O 3.17Å; G338-R342 PolarHBondContact N-O 2.89Å; D340-R342 WeakPolarHBondContact OD1-CB 3.36Å; D340-R342 PolarHBondContact OD1-N 2.96Å; D340-R342 IonicContact OD1-NE 2.91Å; D340-R342 IonicContact OD2-CZ 3.17Å; D340-R342 IonicContact OD2-NE 2.72Å; D340-R342 PolarHBondContact OD2-NE 2.89Å; D340-R342 IonicContact OD2-NH2 2.72Å; D340-R342 PolarHBondContact OD2-NH2 3.26Å
343P98.6Very high98.5Very high16 Ų1618.3 Ų18.310%0.10410%0.095CC..BIsolated β-bridgetrans-58.9147171-21.332.1000111Y34 L36 V345 R374 P376Y34-P343 WeakPolarHBondContact CE2-O 3.44Å; Y34-P343 PolarHBondContact OH-O 3.09Å; L36-P343 HydrophobicContact CD1-CB 3.73Å; L36-P343 HydrophobicContact CD1-CG 4.14Å; L36-P343 WeakPolarHBondContact CD1-O 3.1Å; P343-V345 VanDerWaalsContact C-N 3.29Å; P343-V345 HydrophobicContact CB-CG2 4.33Å; P343-R374 WeakPolarHBondContact CG-O 3.36Å; P343-P376 HydrophobicContact CB-CG 4.24Å; P343-P376 HydrophobicContact CG-CG 4.24Å
344L98.8Very high98.5Very high3 Ų319.3 Ų19.32%0.01610%0.099CC..  trans-96.417.3174.1-73.5167.4000111.6I30 Y34 R274 T277 G335 G336 D407I30-L344 HydrophobicContact CG2-CD2 4.37Å; Y34-L344 HydrophobicContact CD1-CD2 4.01Å; Y34-L344 HydrophobicContact CD2-CD2 4.22Å; Y34-L344 HydrophobicContact CE1-CD2 3.68Å; Y34-L344 HydrophobicContact CE2-CD2 3.92Å; Y34-L344 HydrophobicContact CG-CD2 4.26Å; R274-L344 VanDerWaalsContact NH2-CD1 3.34Å; T277-L344 HydrophobicContact CG2-CD2 4.49Å; T277-L344 PolarHBondContact OG1-O 3.43Å; G335-L344 WeakPolarHBondContact O-CB 3.48Å; G336-L344 PolarHBondContact O-N 2.96Å; L344-D407 HydrophobicContact CD1-CB 4.17Å; L344-D407 WeakPolarHBondContact CD1-O 3.45Å
345V98.9Very high98.5Very high0 Ų019.3 Ų19.30%010%0.099CC..  trans-72.1131.3174.8178.80000109.9Y37 P343 F350 L375 P376 F379Y37-V345 PolarHBondContact N-O 3.18Å; P343-V345 VanDerWaalsContact C-N 3.29Å; P343-V345 HydrophobicContact CB-CG2 4.33Å; V345-F350 HydrophobicContact CG1-CE2 4.07Å; V345-L375 HydrophobicContact CG2-CD2 3.65Å; V345-P376 HydrophobicContact CB-CG 4.39Å; V345-F379 HydrophobicContact CB-CD1 4.43Å; V345-F379 HydrophobicContact CG1-CB 3.85Å; V345-F379 HydrophobicContact CG1-CD1 3.97Å; V345-F379 HydrophobicContact CG1-CD2 3.83Å; V345-F379 HydrophobicContact CG1-CE2 4.39Å; V345-F379 HydrophobicContact CG1-CG 3.6Å; V345-F379 HydrophobicContact CG2-CB 4.5Å; V345-F379 HydrophobicContact CG2-CD1 3.52Å; V345-F379 HydrophobicContact CG2-CE1 3.88Å; V345-F379 HydrophobicContact CG2-CG 4.04Å
346T98.9Very high98.5Very high0 Ų019.4 Ų19.40%010%0.1CC..  trans-129.9175.3-179.357.10000110.6Y34 T277 D280 N348 S349Y34-T346 HydrophobicContact CD2-CG2 4.07Å; T277-T346 HydrophobicContact CG2-CG2 3.67Å; T277-T346 PolarHBondContact OG1-OG1 3.15Å; D280-T346 HydrophobicContact CB-CG2 4Å; D280-T346 WeakPolarHBondContact OD2-CB 3.27Å; T346-N348 VanDerWaalsContact C-N 3.27Å; T346-N348 PolarHBondContact O-N 3.09Å; T346-S349 PolarHBondContact N-OG 2.89Å; T346-S349 VanDerWaalsContact O-CB 3.24Å; T346-S349 WeakPolarHBondContact O-CB 3.4Å; T346-S349 PolarHBondContact O-N 3.39Å; T346-S349 VanDerWaalsContact O-N 3.1Å; T346-S349 PolarHBondContact O-OG 3.31Å; T346-S349 PolarHBondContact OG1-N 2.94Å; T346-S349 PolarHBondContact OG1-OG 3.5Å
347K98.9Very high98.4Very high47 Ų4721.6 Ų21.620%0.20411%0.111CC..Hα-helixtrans-60.6-39.6171.4-75.8-177.8-178.8165.90111.3Y37 F43 E284 S349 F350 R351Y37-K347 HydrophobicContact CD1-CG 4.16Å; Y37-K347 HydrophobicContact CD2-CD 4.47Å; Y37-K347 HydrophobicContact CD2-CG 3.67Å; Y37-K347 HydrophobicContact CE1-CG 4.41Å; Y37-K347 HydrophobicContact CE2-CG 3.94Å; Y37-K347 HydrophobicContact CG-CG 3.78Å; F43-K347 HydrophobicContact CD2-CD 4.13Å; F43-K347 HydrophobicContact CD2-CG 4.4Å; F43-K347 HydrophobicContact CE1-CB 4.47Å; F43-K347 HydrophobicContact CE1-CG 4.17Å; F43-K347 HydrophobicContact CE2-CB 3.71Å; F43-K347 HydrophobicContact CE2-CD 3.92Å; F43-K347 HydrophobicContact CE2-CG 3.83Å; F43-K347 HydrophobicContact CZ-CB 3.58Å; F43-K347 HydrophobicContact CZ-CD 4.29Å; F43-K347 HydrophobicContact CZ-CG 3.69Å; E284-K347 IonicContact OE2-NZ 3.09Å; K347-S349 PolarHBondContact O-N 2.84Å; K347-F350 WeakPolarHBondContact O-CA 3.44Å; K347-F350 WeakPolarHBondContact O-CB 3.42Å; K347-F350 PolarHBondContact O-N 3.38Å; K347-R351 PolarHBondContact O-N 3.19Å
348N98.9Very high98.4Very high0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-60.9-26.8174.5-108.514.4000114S276 L279 D280 T346 F350 R351 F352S276-N348 WeakPolarHBondContact O-CB 3.34Å; S276-N348 PolarHBondContact O-ND2 3.1Å; S276-N348 VanDerWaalsContact O-ND2 3.07Å; L279-N348 WeakPolarHBondContact CB-ND2 3.36Å; D280-N348 HydrophobicContact CB-CB 3.84Å; D280-N348 PolarHBondContact N-ND2 3.2Å; D280-N348 WeakPolarHBondContact OD1-CB 3.45Å; D280-N348 PolarHBondContact OD1-N 3.46Å; T346-N348 VanDerWaalsContact C-N 3.27Å; T346-N348 PolarHBondContact O-N 3.09Å; N348-F350 PolarHBondContact O-N 2.92Å; N348-R351 PolarHBondContact O-N 2.97Å; N348-R351 WeakPolarHBondContact OD1-CD 3.16Å; N348-R351 PolarHBondContact OD1-NH1 3.06Å; N348-F352 HydrophobicContact CB-CD2 4.4Å; N348-F352 WeakPolarHBondContact O-CB 3.36Å; N348-F352 VanDerWaalsContact O-CD2 3.25Å; N348-F352 WeakPolarHBondContact O-CD2 3.27Å; N348-F352 PolarHBondContact O-N 3.03Å
349S98.9Very high98.4Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-58.5-38.5171.4-520000111.3T346 K347 L353T346-S349 PolarHBondContact N-OG 2.89Å; T346-S349 VanDerWaalsContact O-CB 3.24Å; T346-S349 WeakPolarHBondContact O-CB 3.4Å; T346-S349 PolarHBondContact O-N 3.39Å; T346-S349 VanDerWaalsContact O-N 3.1Å; T346-S349 PolarHBondContact O-OG 3.31Å; T346-S349 PolarHBondContact OG1-N 2.94Å; T346-S349 PolarHBondContact OG1-OG 3.5Å; K347-S349 PolarHBondContact O-N 2.84Å; S349-L353 WeakPolarHBondContact O-CG 3.41Å
350F98.9Very high98.5Very high0 Ų018.2 Ų18.20%010%0.098CC..Hα-helixtrans-74.4-44.7172.8-70-106.2000111.7Y37 D41 F43 L44 V345 K347 N348 F352 L353 H354 F379 Y382Y37-F350 AromaticContact CD1-CD2 3.92Å; Y37-F350 HydrophobicContact CD1-CD2 3.92Å; Y37-F350 AromaticContact CD1-CE2 3.61Å; Y37-F350 HydrophobicContact CD1-CE2 3.61Å; Y37-F350 HydrophobicContact CD1-CZ 4.38Å; Y37-F350 HydrophobicContact CE1-CD2 4.15Å; Y37-F350 AromaticContact CE1-CE2 3.87Å; Y37-F350 HydrophobicContact CE1-CE2 3.87Å; Y37-F350 HydrophobicContact CE1-CZ 4.27Å; D41-F350 HydrophobicContact CB-CD1 4.02Å; D41-F350 HydrophobicContact CB-CE1 4.24Å; F43-F350 HydrophobicContact CE1-CB 4.04Å; F43-F350 HydrophobicContact CE1-CD2 4.45Å; F43-F350 HydrophobicContact CE1-CG 4.15Å; F43-F350 HydrophobicContact CZ-CB 3.86Å; F43-F350 HydrophobicContact CZ-CG 4.41Å; L44-F350 HydrophobicContact CD1-CB 4.35Å; L44-F350 HydrophobicContact CD2-CB 3.96Å; L44-F350 HydrophobicContact CG-CB 4.49Å; V345-F350 HydrophobicContact CG1-CE2 4.07Å; K347-F350 WeakPolarHBondContact O-CA 3.44Å; K347-F350 WeakPolarHBondContact O-CB 3.42Å; K347-F350 PolarHBondContact O-N 3.38Å; N348-F350 PolarHBondContact O-N 2.92Å; F350-F352 VanDerWaalsContact C-N 3.32Å; F350-F352 PolarHBondContact O-N 3.46Å; F350-L353 PolarHBondContact O-N 3.22Å; F350-L353 VanDerWaalsContact O-N 3.15Å; F350-H354 WeakPolarHBondContact O-CB 3.3Å; F350-H354 PolarHBondContact O-N 2.77Å; F350-F379 AromaticContact CD2-CD2 3.89Å; F350-F379 HydrophobicContact CD2-CD2 3.89Å; F350-F379 HydrophobicContact CD2-CE2 4.43Å; F350-F379 HydrophobicContact CE1-CD2 4.3Å; F350-F379 HydrophobicContact CE2-CB 3.98Å; F350-F379 AromaticContact CE2-CD2 3.51Å; F350-F379 HydrophobicContact CE2-CD2 3.51Å; F350-F379 HydrophobicContact CE2-CE2 4.46Å; F350-F379 HydrophobicContact CE2-CG 4.16Å; F350-F379 HydrophobicContact CG-CD2 4.41Å; F350-F379 HydrophobicContact CZ-CB 3.8Å; F350-F379 AromaticContact CZ-CD2 3.76Å; F350-F379 HydrophobicContact CZ-CD2 3.76Å; F350-F379 HydrophobicContact CZ-CG 4.28Å; F350-Y382 HydrophobicContact CB-CE1 4.3Å; F350-Y382 AromaticContact CD1-CD1 3.34Å; F350-Y382 HydrophobicContact CD1-CD1 3.34Å; F350-Y382 HydrophobicContact CD1-CD2 4.39Å; F350-Y382 AromaticContact CD1-CE1 3.8Å; F350-Y382 HydrophobicContact CD1-CE1 3.8Å; F350-Y382 AromaticContact CD1-CG 3.69Å; F350-Y382 HydrophobicContact CD1-CG 3.69Å; F350-Y382 AromaticContact CE1-CD1 3.82Å; F350-Y382 HydrophobicContact CE1-CD1 3.82Å; F350-Y382 AromaticContact CE1-CG 3.75Å; F350-Y382 HydrophobicContact CE1-CG 3.75Å; F350-Y382 HydrophobicContact CG-CD1 4.17Å; F350-Y382 HydrophobicContact CG-CE1 4.42Å
351R98.9Very high98.5Very high0 Ų016.2 Ų16.20%09%0.09CC..Hα-helixtrans-58.6-39.6-178.6-60.5-168.8-165.199.8-0.7113.4F43 L44 D280 E294 V297 Q298 I301 K347 N348 H354 S355F43-R351 HydrophobicContact CE2-CG 4.23Å; L44-R351 HydrophobicContact CD2-CG 4.05Å; D280-R351 IonicContact OD1-NH1 3.52Å; D280-R351 PolarHBondContact OD1-NH1 2.72Å; E294-R351 IonicContact OE1-CZ 2.88Å; E294-R351 IonicContact OE1-NE 3.68Å; E294-R351 PolarHBondContact OE1-NE 3.3Å; E294-R351 IonicContact OE1-NH2 2.88Å; E294-R351 PolarHBondContact OE1-NH2 2.98Å; E294-R351 IonicContact OE2-CZ 3.52Å; E294-R351 IonicContact OE2-NE 3.62Å; E294-R351 IonicContact OE2-NH2 3.22Å; E294-R351 PolarHBondContact OE2-NH2 2.94Å; V297-R351 VanDerWaalsContact CG1-CZ 3.49Å; Q298-R351 PolarHBondContact NE2-O 3.32Å; Q298-R351 VanDerWaalsContact NE2-O 3.13Å; Q298-R351 VanDerWaalsContact OE1-CG 3.27Å; I301-R351 HydrophobicContact CG1-CB 4.4Å; I301-R351 HydrophobicContact CG2-CB 4.3Å; K347-R351 PolarHBondContact O-N 3.19Å; N348-R351 PolarHBondContact O-N 2.97Å; N348-R351 WeakPolarHBondContact OD1-CD 3.16Å; N348-R351 PolarHBondContact OD1-NH1 3.06Å; R351-H354 WeakPolarHBondContact O-CB 3.27Å; R351-H354 PolarHBondContact O-N 3.12Å; R351-S355 PolarHBondContact O-N 3.42Å
352F98.9Very high98.5Very high0 Ų015.2 Ų15.20%08%0.079CC..Hα-helixtrans-63.1-47.2175.8-90.5-116.6000111.5L279 I301 F304 I305 E332 I334 N348 F350 H354 S355 L367L279-F352 HydrophobicContact CD1-CE2 4.45Å; L279-F352 HydrophobicContact CD1-CZ 4.07Å; I301-F352 HydrophobicContact CD1-CD2 4.29Å; I301-F352 HydrophobicContact CD1-CE2 3.64Å; I301-F352 HydrophobicContact CD1-CZ 4.4Å; I301-F352 HydrophobicContact CG2-CD2 4.04Å; I301-F352 HydrophobicContact CG2-CE2 4.3Å; F304-F352 HydrophobicContact CD1-CZ 4.18Å; F304-F352 HydrophobicContact CE1-CE1 4.21Å; F304-F352 AromaticContact CE1-CZ 3.95Å; F304-F352 HydrophobicContact CE1-CZ 3.95Å; I305-F352 HydrophobicContact CD1-CD1 3.83Å; I305-F352 HydrophobicContact CD1-CE1 4.05Å; I305-F352 HydrophobicContact CD1-CG 4.47Å; E332-F352 HydrophobicContact CG-CD1 3.75Å; E332-F352 HydrophobicContact CG-CE1 3.76Å; I334-F352 HydrophobicContact CD1-CB 4.09Å; N348-F352 HydrophobicContact CB-CD2 4.4Å; N348-F352 WeakPolarHBondContact O-CB 3.36Å; N348-F352 VanDerWaalsContact O-CD2 3.25Å; N348-F352 WeakPolarHBondContact O-CD2 3.27Å; N348-F352 PolarHBondContact O-N 3.03Å; F350-F352 VanDerWaalsContact C-N 3.32Å; F350-F352 PolarHBondContact O-N 3.46Å; F352-H354 VanDerWaalsContact C-N 3.29Å; F352-H354 PolarHBondContact O-N 2.69Å; F352-S355 WeakPolarHBondContact O-CB 3.33Å; F352-S355 PolarHBondContact O-N 2.88Å; F352-S355 PolarHBondContact O-OG 2.82Å; F352-L367 HydrophobicContact CB-CD2 4.44Å; F352-L367 HydrophobicContact CD1-CD2 4.39Å
353L98.9Very high98.4Very high0 Ų011.2 Ų11.20%07%0.066CC..Hα-helixtrans-65.6-34.5175.6-63.5-177.8000111.6I334 S349 F350 S355 L356 L367 F379 Y382 I393I334-L353 HydrophobicContact CD1-CD2 3.82Å; I334-L353 HydrophobicContact CD1-CG 4.33Å; S349-L353 WeakPolarHBondContact O-CG 3.41Å; F350-L353 PolarHBondContact O-N 3.22Å; F350-L353 VanDerWaalsContact O-N 3.15Å; L353-S355 PolarHBondContact O-N 3.46Å; L353-L356 VanDerWaalsContact O-CB 3.32Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 WeakPolarHBondContact O-CG 3.35Å; L353-L356 PolarHBondContact O-N 3.36Å; L353-L367 HydrophobicContact CD2-CB 4.26Å; L353-L367 HydrophobicContact CD2-CD1 4.12Å; L353-F379 HydrophobicContact CD1-CE2 3.89Å; L353-F379 HydrophobicContact CD1-CZ 4.22Å; L353-Y382 HydrophobicContact CB-CE1 3.91Å; L353-Y382 HydrophobicContact CD1-CD1 4.19Å; L353-Y382 HydrophobicContact CD1-CE1 4.42Å; L353-I393 HydrophobicContact CD1-CD1 4.41Å; L353-I393 HydrophobicContact CD2-CD1 3.75Å; L353-I393 HydrophobicContact CD2-CG1 4.08Å
354H98.7Very high98.3Very high20 Ų2011.2 Ų11.29%0.0936%0.064CC..Hα-helixtrans-65.8-20.3178.9-163.747.3000113.5L44 A45 F350 R351 F352 L356 D357 N358 Y382L44-H354 HydrophobicContact CD1-CB 3.93Å; L44-H354 HydrophobicContact CD2-CB 3.96Å; L44-H354 HydrophobicContact CG-CB 4.47Å; A45-H354 PolarHBondContact O-CD2 3.01Å; A45-H354 PolarHBondContact O-NE2 3.49Å; A45-H354 VanDerWaalsContact O-NE2 3.16Å; F350-H354 WeakPolarHBondContact O-CB 3.3Å; F350-H354 PolarHBondContact O-N 2.77Å; R351-H354 WeakPolarHBondContact O-CB 3.27Å; R351-H354 PolarHBondContact O-N 3.12Å; F352-H354 VanDerWaalsContact C-N 3.29Å; F352-H354 PolarHBondContact O-N 2.69Å; H354-L356 PolarHBondContact O-N 3.09Å; H354-L356 VanDerWaalsContact O-N 3.12Å; H354-D357 IonicContact CE1-OD2 3.84Å; H354-D357 IonicContact ND1-OD2 2.72Å; H354-D357 WeakPolarHBondContact O-CA 3.5Å; H354-D357 WeakPolarHBondContact O-CB 3.35Å; H354-D357 PolarHBondContact O-N 3.17Å; H354-N358 PolarHBondContact NE2-OD1 2.91Å; H354-N358 PolarHBondContact O-N 2.91Å; H354-Y382 PolarHBondContact ND1-OH 3.43Å
355S98.7Very high98.3Very high0 Ų011.2 Ų11.20%06%0.064CC..Hα-helixtrans-58.1-23.917073.90000113R309 R351 F352 L353 D357 L359R309-S355 PolarHBondContact NH2-O 2.72Å; R351-S355 PolarHBondContact O-N 3.42Å; F352-S355 WeakPolarHBondContact O-CB 3.33Å; F352-S355 PolarHBondContact O-N 2.88Å; F352-S355 PolarHBondContact O-OG 2.82Å; L353-S355 PolarHBondContact O-N 3.46Å; S355-D357 PolarHBondContact O-N 3.49Å; S355-L359 WeakPolarHBondContact O-CA 3.49Å; S355-L359 VanDerWaalsContact O-CB 3.29Å; S355-L359 WeakPolarHBondContact O-CB 3.33Å; S355-L359 PolarHBondContact O-N 3.1Å
356L98.6Very high98.3Very high3 Ų311.2 Ų11.22%0.0166%0.064CC..Hα-helixtrans-72.6-15173.2-59.1172.7000113.2L353 H354 G360 L367 M386 T390 I393L353-L356 VanDerWaalsContact O-CB 3.32Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 WeakPolarHBondContact O-CG 3.35Å; L353-L356 PolarHBondContact O-N 3.36Å; H354-L356 PolarHBondContact O-N 3.09Å; H354-L356 VanDerWaalsContact O-N 3.12Å; L356-G360 CarbonylContact O-C 3.47Å; L356-G360 WeakPolarHBondContact O-CA 3.42Å; L356-L367 HydrophobicContact CD1-CD1 3.81Å; L356-L367 HydrophobicContact CD2-CD1 4.02Å; L356-L367 HydrophobicContact CG-CD1 3.82Å; L356-M386 HydrophobicContact CB-CE 3.64Å; L356-M386 HydrophobicContact CD1-CE 4.31Å; L356-T390 HydrophobicContact CB-CG2 4.04Å; L356-I393 HydrophobicContact CD1-CD1 4.27Å; L356-I393 HydrophobicContact CD1-CG1 3.96Å
357D97.9Very high98.2Very high46 Ų4611.3 Ų11.325%0.2467%0.065CC..Hα-helixtrans-91.7-55.2168.3-80.7-9.7000110.5H354 S355 L359 G360 K389H354-D357 IonicContact CE1-OD2 3.84Å; H354-D357 IonicContact ND1-OD2 2.72Å; H354-D357 WeakPolarHBondContact O-CA 3.5Å; H354-D357 WeakPolarHBondContact O-CB 3.35Å; H354-D357 PolarHBondContact O-N 3.17Å; S355-D357 PolarHBondContact O-N 3.49Å; D357-L359 PolarHBondContact O-N 3.46Å; D357-G360 PolarHBondContact O-N 3.42Å; D357-K389 WeakPolarHBondContact OD1-CD 3.46Å; D357-K389 WeakPolarHBondContact OD1-CE 3.44Å; D357-K389 IonicContact OD1-NZ 2.77Å; D357-K389 PolarHBondContact OD1-NZ 3.39Å; D357-K389 IonicContact OD2-NZ 3.51Å; D357-K389 PolarHBondContact OD2-NZ 2.92Å
358N98.5Very high98.2Very high22 Ų229.1 Ų9.112%0.1186%0.055CC..Hα-helixtrans-64-38-174-75.43.2000113.3A45 P47 Q298 D302 H354A45-N358 PolarHBondContact O-ND2 3.32Å; A45-N358 VanDerWaalsContact O-ND2 3.14Å; P47-N358 HydrophobicContact CB-CB 4.09Å; P47-N358 WeakPolarHBondContact CD-OD1 3.25Å; P47-N358 HydrophobicContact CG-CB 4.47Å; Q298-N358 WeakPolarHBondContact CG-ND2 3.31Å; D302-N358 WeakPolarHBondContact OD2-CB 3.46Å; D302-N358 PolarHBondContact OD2-ND2 3.45Å; H354-N358 PolarHBondContact NE2-OD1 2.91Å; H354-N358 PolarHBondContact O-N 2.91Å
359L98.5Very high98.2Very high1 Ų19.1 Ų9.11%0.0056%0.055CC..THydrogen-bonded Turntrans-109.46179.2-51.3176.1000111.8T51 W55 D302 I305 M306 R309 S355 D357 Q717T51-L359 HydrophobicContact CG2-CD2 3.49Å; T51-L359 VanDerWaalsContact CG2-CD2 3.49Å; W55-L359 HydrophobicContact CB-CD2 4.05Å; W55-L359 HydrophobicContact CD2-CB 4.03Å; W55-L359 HydrophobicContact CD2-CD2 4.02Å; W55-L359 HydrophobicContact CE3-CB 4.36Å; W55-L359 HydrophobicContact CE3-CD2 4.18Å; W55-L359 HydrophobicContact CG-CB 4.44Å; W55-L359 HydrophobicContact CG-CD2 3.95Å; W55-L359 HydrophobicContact CZ2-CB 4.34Å; W55-L359 VanDerWaalsContact CZ2-O 3.23Å; W55-L359 WeakPolarHBondContact CZ2-O 3.47Å; W55-L359 PolarHBondContact NE1-O 3.38Å; D302-L359 HydrophobicContact CB-CD1 4.31Å; D302-L359 HydrophobicContact CB-CD2 4.33Å; D302-L359 HydrophobicContact CB-CG 4.42Å; D302-L359 WeakPolarHBondContact O-CD1 3.48Å; I305-L359 HydrophobicContact CB-CD1 4.25Å; I305-L359 HydrophobicContact CG2-CD1 3.99Å; M306-L359 HydrophobicContact CB-CD1 4.33Å; M306-L359 HydrophobicContact CE-CD2 3.93Å; R309-L359 PolarHBondContact NH1-O 3.31Å; S355-L359 WeakPolarHBondContact O-CA 3.49Å; S355-L359 VanDerWaalsContact O-CB 3.29Å; S355-L359 WeakPolarHBondContact O-CB 3.33Å; S355-L359 PolarHBondContact O-N 3.1Å; D357-L359 PolarHBondContact O-N 3.46Å; L359-Q717 PolarHBondContact O-NE2 3.06Å
360G97.8Very high98.2Very high15 Ų159.1 Ų9.116%0.1556%0.055CC..  trans67.1174.1-172.800000115R309 L356 D357 Q717R309-G360 PolarHBondContact NH1-O 3.3Å; R309-G360 PolarHBondContact NH2-O 3.35Å; L356-G360 CarbonylContact O-C 3.47Å; L356-G360 WeakPolarHBondContact O-CA 3.42Å; D357-G360 PolarHBondContact O-N 3.42Å; G360-Q717 VanDerWaalsContact C-NE2 3.3Å
361P97.4Very high98.2Very high38 Ų389.3 Ų9.325%0.2476%0.056CC..  trans-59.5142.8-179.1-22.433.3000111.8T390 Q717P361-T390 HydrophobicContact CG-CG2 4.15Å; P361-Q717 PolarHBondContact O-NE2 2.77Å
362A96.5Very high98.2Very high8 Ų89.3 Ų9.37%0.0666%0.056CC..  trans-154.5152178.300000111.7R309 E364 T719R309-A362 HydrophobicContact CG-CB 4.39Å; A362-E364 WeakPolarHBondContact CB-O 3.16Å; A362-T719 WeakPolarHBondContact CA-OG1 3.4Å; A362-T719 PolarHBondContact N-OG1 2.79Å
363P96.3Very high98.2Very high17 Ų1711.9 Ų11.911%0.117%0.072CC..SBendtrans-74.2-28.917629-35.5000114.1T719 A726 N728P363-T719 HydrophobicContact CB-CG2 4.37Å; P363-A726 VanDerWaalsContact CA-CB 3.48Å; P363-A726 HydrophobicContact CB-CB 3.74Å; P363-A726 WeakPolarHBondContact CB-O 3.4Å; P363-N728 VanDerWaalsContact CD-OD1 3.29Å; P363-N728 WeakPolarHBondContact CD-OD1 3.48Å; P363-N728 WeakPolarHBondContact CG-OD1 3.45Å
364E97Very high98.1Very high15 Ų1517.4 Ų17.47%0.079%0.093CC..  trans-119.7151.6-179.2-60.7-71.6-17100109.9R309 T328 W329 V330 A362 N366R309-E364 WeakPolarHBondContact CG-O 3.5Å; R309-E364 PolarHBondContact NE-O 3.08Å; T328-E364 PolarHBondContact N-OE1 3.12Å; T328-E364 PolarHBondContact OG1-OE1 2.82Å; W329-E364 WeakPolarHBondContact CA-OE1 3.3Å; W329-E364 PolarHBondContact N-OE1 2.88Å; V330-E364 PolarHBondContact N-OE2 2.93Å; A362-E364 WeakPolarHBondContact CB-O 3.16Å; E364-N366 PolarHBondContact OE2-N 3.07Å
365P98.1Very high98.1Very high3 Ų316.7 Ų16.72%0.0199%0.089CC..SBendcis-56.2150.2-17.727.6-34.4000111.2I305 L308 V330 L367I305-P365 HydrophobicContact CD1-CG 3.62Å; I305-P365 HydrophobicContact CG2-CG 4.29Å; L308-P365 HydrophobicContact CB-CB 4.42Å; L308-P365 HydrophobicContact CD1-CB 4.1Å; L308-P365 HydrophobicContact CD1-CG 4.16Å; V330-P365 HydrophobicContact CB-CB 4.25Å; V330-P365 HydrophobicContact CG1-CB 4.26Å; V330-P365 CarbonylContact O-C 3.56Å; V330-P365 WeakPolarHBondContact O-CA 3.41Å; V330-P365 WeakPolarHBondContact O-CB 3.36Å; P365-L367 VanDerWaalsContact C-N 3.28Å; P365-L367 HydrophobicContact CG-CD2 3.97Å; P365-L367 HydrophobicContact CG-CG 4.33Å; P365-L367 PolarHBondContact O-N 3.01Å
366N98.1Very high98.1Very high1 Ų117.3 Ų17.31%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-72.785177.3-17834.1000109.7V330 T331 E332 E364 T368 Q394 C413 R721V330-N366 PolarHBondContact O-N 3.04Å; T331-N366 WeakPolarHBondContact CA-O 3.39Å; T331-N366 HydrophobicContact CG2-CB 4.41Å; T331-N366 WeakPolarHBondContact CG2-O 3.38Å; T331-N366 PolarHBondContact OG1-ND2 3.38Å; E332-N366 PolarHBondContact N-O 3.24Å; E364-N366 PolarHBondContact OE2-N 3.07Å; N366-T368 PolarHBondContact O-N 2.97Å; N366-T368 PolarHBondContact O-OG1 3.03Å; N366-T368 VanDerWaalsContact O-OG1 3.12Å; N366-Q394 PolarHBondContact ND2-NE2 3.37Å; N366-Q394 VanDerWaalsContact ND2-NE2 3.12Å; N366-C413 PolarHBondContact ND2-O 3.35Å; N366-R721 VanDerWaalsContact OD1-CZ 3.26Å; N366-R721 PolarHBondContact OD1-NH1 3.11Å; N366-R721 PolarHBondContact OD1-NH2 3.27Å
367L98.5Very high98.1Very high2 Ų222.8 Ų22.81%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-67.7114-175.1-62.6166.6000110.5I334 F352 L353 L356 P365 Q394I334-L367 HydrophobicContact CD1-CB 4.21Å; I334-L367 HydrophobicContact CD1-CD2 3.67Å; I334-L367 HydrophobicContact CD1-CG 4.5Å; F352-L367 HydrophobicContact CB-CD2 4.44Å; F352-L367 HydrophobicContact CD1-CD2 4.39Å; L353-L367 HydrophobicContact CD2-CB 4.26Å; L353-L367 HydrophobicContact CD2-CD1 4.12Å; L356-L367 HydrophobicContact CD1-CD1 3.81Å; L356-L367 HydrophobicContact CD2-CD1 4.02Å; L356-L367 HydrophobicContact CG-CD1 3.82Å; P365-L367 VanDerWaalsContact C-N 3.28Å; P365-L367 HydrophobicContact CG-CD2 3.97Å; P365-L367 HydrophobicContact CG-CG 4.33Å; P365-L367 PolarHBondContact O-N 3.01Å; L367-Q394 PolarHBondContact O-N 2.88Å; L367-Q394 VanDerWaalsContact O-N 3.09Å
368T98.9Very high98.1Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-118.3108.5-173.6-55.30000110.4T331 E332 S333 I334 N366 L370 Q394 E396 I411T331-T368 VanDerWaalsContact CG2-OG1 3.29Å; T331-T368 WeakPolarHBondContact CG2-OG1 3.04Å; E332-T368 PolarHBondContact O-N 3.24Å; S333-T368 CarbonylContact C-O 3.59Å; S333-T368 WeakPolarHBondContact CA-O 3.44Å; I334-T368 PolarHBondContact N-O 2.87Å; N366-T368 PolarHBondContact O-N 2.97Å; N366-T368 PolarHBondContact O-OG1 3.03Å; N366-T368 VanDerWaalsContact O-OG1 3.12Å; T368-L370 PolarHBondContact O-N 3Å; T368-Q394 CarbonylContact C-O 3.52Å; T368-Q394 WeakPolarHBondContact CA-O 3.3Å; T368-Q394 HydrophobicContact CG2-CG 3.95Å; T368-Q394 WeakPolarHBondContact OG1-CG 3.38Å; T368-Q394 PolarHBondContact OG1-NE2 3.36Å; T368-E396 HydrophobicContact CG2-CB 4.33Å; T368-E396 HydrophobicContact CG2-CG 3.77Å; T368-I411 HydrophobicContact CG2-CB 4.37Å; T368-I411 HydrophobicContact CG2-CG1 3.85Å
369V98.9Very high98.1Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-81.7118.9177.21770000108.9W371 L375 F379 I393 Q394 Y395 E396V369-W371 VanDerWaalsContact C-N 3.33Å; V369-W371 HydrophobicContact CG1-CE3 4.08Å; V369-W371 PolarHBondContact O-N 3.48Å; V369-L375 HydrophobicContact CG1-CD1 4.47Å; V369-F379 HydrophobicContact CG1-CE1 4.03Å; V369-F379 HydrophobicContact CG1-CZ 4.45Å; V369-I393 HydrophobicContact CB-CG2 4.5Å; V369-I393 HydrophobicContact CG2-CG2 3.71Å; V369-Q394 PolarHBondContact N-O 3.38Å; V369-Y395 HydrophobicContact CB-CD1 3.72Å; V369-Y395 HydrophobicContact CB-CE1 3.92Å; V369-Y395 HydrophobicContact CG1-CD1 4Å; V369-Y395 HydrophobicContact CG1-CE1 4.13Å; V369-Y395 HydrophobicContact CG2-CD1 4.45Å; V369-Y395 HydrophobicContact CG2-CE1 4.2Å; V369-Y395 WeakPolarHBondContact O-CA 3.46Å; V369-E396 PolarHBondContact O-N 2.59Å
370L98.9Very high98.1Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-75.890.5170.9-61.5-177.3000107.9I334 G336 T368 E396 D398 M401 Y409 I411I334-L370 PolarHBondContact O-N 3.28Å; G336-L370 VanDerWaalsContact CA-O 3.3Å; G336-L370 WeakPolarHBondContact CA-O 3.42Å; G336-L370 PolarHBondContact N-O 2.78Å; G336-L370 VanDerWaalsContact N-O 3.16Å; T368-L370 PolarHBondContact O-N 3Å; L370-E396 CarbonylContact C-O 3.4Å; L370-E396 WeakPolarHBondContact CA-O 3.44Å; L370-E396 HydrophobicContact CD2-CB 4.49Å; L370-D398 HydrophobicContact CB-CB 4.02Å; L370-M401 HydrophobicContact CD2-CE 4.14Å; L370-Y409 HydrophobicContact CD1-CE1 4.43Å; L370-Y409 HydrophobicContact CD1-CE2 4.18Å; L370-Y409 HydrophobicContact CD2-CE2 3.88Å; L370-I411 HydrophobicContact CD2-CD1 4.25Å; L370-I411 HydrophobicContact CD2-CG1 4.04Å
371W98.9Very high98.2Very high4 Ų425.2 Ų25.22%0.01513%0.134CC..EExtended strand (participates in β ladder)trans-76.2134.5-172.5-167.5-90.7000111.3V369 L375 K380 C383 Y395 E396 D398 T681 L684 D685V369-W371 VanDerWaalsContact C-N 3.33Å; V369-W371 HydrophobicContact CG1-CE3 4.08Å; V369-W371 PolarHBondContact O-N 3.48Å; W371-L375 HydrophobicContact CD2-CD1 4.33Å; W371-L375 HydrophobicContact CE3-CD1 4.16Å; W371-K380 HydrophobicContact CH2-CB 3.57Å; W371-K380 HydrophobicContact CH2-CD 4.04Å; W371-K380 HydrophobicContact CH2-CG 3.61Å; W371-K380 HydrophobicContact CZ2-CB 4.18Å; W371-K380 HydrophobicContact CZ2-CD 3.78Å; W371-K380 HydrophobicContact CZ2-CG 3.85Å; W371-K380 HydrophobicContact CZ3-CB 4.17Å; W371-K380 HydrophobicContact CZ3-CG 4.11Å; W371-C383 HydrophobicContact CZ3-CB 4.23Å; W371-Y395 HydrophobicContact CB-CD1 4.44Å; W371-Y395 HydrophobicContact CD2-CD1 4.21Å; W371-Y395 AromaticContact CE3-CD1 3.48Å; W371-Y395 HydrophobicContact CE3-CD1 3.48Å; W371-Y395 VanDerWaalsContact CE3-CD1 3.48Å; W371-Y395 AromaticContact CE3-CE1 3.59Å; W371-Y395 HydrophobicContact CE3-CE1 3.59Å; W371-Y395 HydrophobicContact CZ3-CD1 4.04Å; W371-Y395 AromaticContact CZ3-CE1 3.67Å; W371-Y395 HydrophobicContact CZ3-CE1 3.67Å; W371-E396 PolarHBondContact N-O 2.95Å; W371-D398 VanDerWaalsContact O-CB 3.28Å; W371-D398 WeakPolarHBondContact O-CB 3.48Å; W371-D398 PolarHBondContact O-N 2.96Å; W371-T681 HydrophobicContact CH2-CG2 4.16Å; W371-T681 HydrophobicContact CZ2-CG2 4.15Å; W371-L684 HydrophobicContact CD2-CB 4.13Å; W371-L684 HydrophobicContact CE3-CD1 4.23Å; W371-L684 HydrophobicContact CH2-CB 4.03Å; W371-L684 HydrophobicContact CH2-CD1 3.67Å; W371-L684 HydrophobicContact CZ2-CB 3.51Å; W371-L684 HydrophobicContact CZ2-CD1 4.07Å; W371-L684 HydrophobicContact CZ2-CG 4.44Å; W371-L684 HydrophobicContact CZ3-CD1 3.79Å; W371-D685 WeakPolarHBondContact CZ2-OD1 3.35Å; W371-D685 PolarHBondContact NE1-OD1 3.12Å
372S98.6Very high98.2Very high0 Ų023.5 Ų23.50%012%0.123CC..  trans-140.9148.6168.1170.30000108.7R374 L375 K380 D399S372-R374 PolarHBondContact O-N 2.66Å; S372-R374 PolarHBondContact OG-N 3.35Å; S372-R374 VanDerWaalsContact OG-N 3.1Å; S372-L375 WeakPolarHBondContact O-CB 3.24Å; S372-L375 WeakPolarHBondContact O-CG 3.5Å; S372-L375 PolarHBondContact O-N 3.49Å; S372-L375 VanDerWaalsContact O-N 3.08Å; S372-K380 VanDerWaalsContact O-CE 3.28Å; S372-K380 WeakPolarHBondContact O-CE 3.47Å; S372-D399 VanDerWaalsContact CA-OD2 3.26Å; S372-D399 WeakPolarHBondContact CA-OD2 3.2Å; S372-D399 WeakPolarHBondContact CB-OD1 3.43Å; S372-D399 WeakPolarHBondContact CB-OD2 3.37Å; S372-D399 PolarHBondContact OG-OD1 3.23Å; S372-D399 PolarHBondContact OG-OD2 3.08Å
373V97.6Very high98.3Very high55 Ų5523.1 Ų23.133%0.33312%0.12SC..THydrogen-bonded Turntrans-61.3-15.7172.1-60.40000112.5K380 D399 D685 M689V373-K380 PolarHBondContact O-NZ 3.35Å; V373-D399 PolarHBondContact N-OD2 3.48Å; V373-D685 HydrophobicContact CG1-CB 4.26Å; V373-M689 HydrophobicContact CG1-CG 3.66Å; V373-M689 HydrophobicContact CG1-SD 4.31Å
374R97.6Very high98.4Very high115 Ų11522.3 Ų22.343%0.43412%0.115SC..THydrogen-bonded Turntrans-93.82179.2-57.7-174.6-70.3170.5-0.4114.4V337 P343 S372V337-R374 HydrophobicContact CG2-CB 4.32Å; P343-R374 WeakPolarHBondContact CG-O 3.36Å; S372-R374 PolarHBondContact O-N 2.66Å; S372-R374 PolarHBondContact OG-N 3.35Å; S372-R374 VanDerWaalsContact OG-N 3.1Å
375L98.7Very high98.5Very high5 Ų525.4 Ų25.43%0.02613%0.128CC..SBendtrans-63.5149.9173.6-67.5177.4000111.1V337 V345 V369 W371 S372 D377 F379 K380V337-L375 HydrophobicContact CG2-CD2 4.4Å; V345-L375 HydrophobicContact CG2-CD2 3.65Å; V369-L375 HydrophobicContact CG1-CD1 4.47Å; W371-L375 HydrophobicContact CD2-CD1 4.33Å; W371-L375 HydrophobicContact CE3-CD1 4.16Å; S372-L375 WeakPolarHBondContact O-CB 3.24Å; S372-L375 WeakPolarHBondContact O-CG 3.5Å; S372-L375 PolarHBondContact O-N 3.49Å; S372-L375 VanDerWaalsContact O-N 3.08Å; L375-D377 PolarHBondContact O-N 3Å; L375-F379 HydrophobicContact CD1-CD1 4.24Å; L375-F379 HydrophobicContact CD1-CE1 4.35Å; L375-K380 HydrophobicContact CB-CD 4.41Å; L375-K380 HydrophobicContact CB-CG 3.83Å; L375-K380 WeakPolarHBondContact O-CE 3.14Å
376P98.6Very high98.4Very high14 Ų1425.3 Ų25.39%0.09113%0.127CC..  trans-58.4134.4174.5-22.733.8000111.8L36 E38 P343 V345 N378 F379 K380L36-P376 HydrophobicContact CD1-CG 4.42Å; E38-P376 HydrophobicContact CG-CG 4.28Å; P343-P376 HydrophobicContact CB-CG 4.24Å; P343-P376 HydrophobicContact CG-CG 4.24Å; V345-P376 HydrophobicContact CB-CG 4.39Å; P376-N378 PolarHBondContact O-N 3.11Å; P376-N378 VanDerWaalsContact O-N 3.17Å; P376-F379 HydrophobicContact CB-CB 4.49Å; P376-F379 PolarHBondContact O-N 2.94Å; P376-K380 PolarHBondContact O-N 3.21Å
377D98.4Very high98.4Very high118 Ų11825.2 Ų25.263%0.63113%0.127SC*.Hα-helixtrans-56.9-35.7-176.6-70.2-24.9000112.9L375 F379 K380 T381L375-D377 PolarHBondContact O-N 3Å; D377-F379 VanDerWaalsContact C-N 3.34Å; D377-F379 PolarHBondContact O-N 2.92Å; D377-K380 PolarHBondContact O-N 3.08Å; D377-T381 VanDerWaalsContact O-CB 3.3Å; D377-T381 WeakPolarHBondContact O-CB 3.41Å; D377-T381 PolarHBondContact O-N 2.87Å; D377-T381 PolarHBondContact O-OG1 2.87Å
378N98.5Very high98.4Very high70 Ų7026.6 Ų26.637%0.37413%0.133SC..Hα-helixtrans-62.9-40.3176.3-72.5-36.3000112.1E38 G39 N40 P376 Y382E38-N378 PolarHBondContact O-ND2 3.44Å; G39-N378 WeakPolarHBondContact O-CB 2.96Å; N40-N378 HydrophobicContact CB-CB 4.17Å; P376-N378 PolarHBondContact O-N 3.11Å; P376-N378 VanDerWaalsContact O-N 3.17Å; N378-Y382 WeakPolarHBondContact O-CB 3.36Å; N378-Y382 PolarHBondContact O-N 2.77Å
379F98.8Very high98.3Very high1 Ų132.8 Ų32.80%0.00416%0.16CC..Hα-helixtrans-72.3-42.2177.3-178.1-114.1000111.5I334 V345 F350 L353 V369 L375 P376 D377 T381 Y382 C383I334-F379 HydrophobicContact CG2-CZ 3.92Å; V345-F379 HydrophobicContact CB-CD1 4.43Å; V345-F379 HydrophobicContact CG1-CB 3.85Å; V345-F379 HydrophobicContact CG1-CD1 3.97Å; V345-F379 HydrophobicContact CG1-CD2 3.83Å; V345-F379 HydrophobicContact CG1-CE2 4.39Å; V345-F379 HydrophobicContact CG1-CG 3.6Å; V345-F379 HydrophobicContact CG2-CB 4.5Å; V345-F379 HydrophobicContact CG2-CD1 3.52Å; V345-F379 HydrophobicContact CG2-CE1 3.88Å; V345-F379 HydrophobicContact CG2-CG 4.04Å; F350-F379 AromaticContact CD2-CD2 3.89Å; F350-F379 HydrophobicContact CD2-CD2 3.89Å; F350-F379 HydrophobicContact CD2-CE2 4.43Å; F350-F379 HydrophobicContact CE1-CD2 4.3Å; F350-F379 HydrophobicContact CE2-CB 3.98Å; F350-F379 AromaticContact CE2-CD2 3.51Å; F350-F379 HydrophobicContact CE2-CD2 3.51Å; F350-F379 HydrophobicContact CE2-CE2 4.46Å; F350-F379 HydrophobicContact CE2-CG 4.16Å; F350-F379 HydrophobicContact CG-CD2 4.41Å; F350-F379 HydrophobicContact CZ-CB 3.8Å; F350-F379 AromaticContact CZ-CD2 3.76Å; F350-F379 HydrophobicContact CZ-CD2 3.76Å; F350-F379 HydrophobicContact CZ-CG 4.28Å; L353-F379 HydrophobicContact CD1-CE2 3.89Å; L353-F379 HydrophobicContact CD1-CZ 4.22Å; V369-F379 HydrophobicContact CG1-CE1 4.03Å; V369-F379 HydrophobicContact CG1-CZ 4.45Å; L375-F379 HydrophobicContact CD1-CD1 4.24Å; L375-F379 HydrophobicContact CD1-CE1 4.35Å; P376-F379 HydrophobicContact CB-CB 4.49Å; P376-F379 PolarHBondContact O-N 2.94Å; D377-F379 VanDerWaalsContact C-N 3.34Å; D377-F379 PolarHBondContact O-N 2.92Å; F379-T381 VanDerWaalsContact C-N 3.33Å; F379-T381 PolarHBondContact O-N 2.72Å; F379-Y382 PolarHBondContact O-N 2.92Å; F379-C383 WeakPolarHBondContact CZ-SG 3.36Å; F379-C383 PolarHBondContact O-N 2.88Å; F379-C383 PolarHBondContact O-SG 3.38Å
380K98.8Very high98.2Very high4 Ų433.1 Ų33.12%0.01716%0.162CC..Hα-helixtrans-55.3-49.4173-69.7-172.4-179.6-177.30111.5W371 S372 V373 L375 P376 D377 Y382 C383 A384 T681 D685W371-K380 HydrophobicContact CH2-CB 3.57Å; W371-K380 HydrophobicContact CH2-CD 4.04Å; W371-K380 HydrophobicContact CH2-CG 3.61Å; W371-K380 HydrophobicContact CZ2-CB 4.18Å; W371-K380 HydrophobicContact CZ2-CD 3.78Å; W371-K380 HydrophobicContact CZ2-CG 3.85Å; W371-K380 HydrophobicContact CZ3-CB 4.17Å; W371-K380 HydrophobicContact CZ3-CG 4.11Å; S372-K380 VanDerWaalsContact O-CE 3.28Å; S372-K380 WeakPolarHBondContact O-CE 3.47Å; V373-K380 PolarHBondContact O-NZ 3.35Å; L375-K380 HydrophobicContact CB-CD 4.41Å; L375-K380 HydrophobicContact CB-CG 3.83Å; L375-K380 WeakPolarHBondContact O-CE 3.14Å; P376-K380 PolarHBondContact O-N 3.21Å; D377-K380 PolarHBondContact O-N 3.08Å; K380-Y382 VanDerWaalsContact C-N 3.32Å; K380-Y382 PolarHBondContact O-N 3.39Å; K380-C383 PolarHBondContact O-N 2.71Å; K380-A384 PolarHBondContact O-N 3.25Å; K380-T681 HydrophobicContact CB-CG2 3.79Å; K380-T681 HydrophobicContact CD-CG2 3.94Å; K380-T681 HydrophobicContact CG-CG2 4.49Å; K380-D685 VanDerWaalsContact NZ-CG 3.27Å; K380-D685 IonicContact NZ-OD1 2.72Å; K380-D685 PolarHBondContact NZ-OD1 3.41Å; K380-D685 IonicContact NZ-OD2 2.92Å; K380-D685 PolarHBondContact NZ-OD2 2.93Å
381T98.3Very high98.1Very high59 Ų5933.3 Ų33.336%0.36216%0.164SC..Hα-helixtrans-60.7-41.5178-58.20000111.5D377 F379 A384 K385 N677D377-T381 VanDerWaalsContact O-CB 3.3Å; D377-T381 WeakPolarHBondContact O-CB 3.41Å; D377-T381 PolarHBondContact O-N 2.87Å; D377-T381 PolarHBondContact O-OG1 2.87Å; F379-T381 VanDerWaalsContact C-N 3.33Å; F379-T381 PolarHBondContact O-N 2.72Å; T381-A384 PolarHBondContact O-N 2.76Å; T381-K385 WeakPolarHBondContact O-CB 3.4Å; T381-K385 PolarHBondContact O-N 2.77Å; T381-N677 HydrophobicContact CG2-CB 4.2Å
382Y98.6Very high98Very high3 Ų333.2 Ų33.21%0.01216%0.164CC..Hα-helixtrans-67.3-40.7177.7-171.6-113.3000112.7D41 L44 F350 L353 H354 N378 F379 K380 A384 K385 M386D41-Y382 HydrophobicContact CB-CD2 3.4Å; D41-Y382 HydrophobicContact CB-CE2 3.4Å; D41-Y382 VanDerWaalsContact CB-CE2 3.4Å; D41-Y382 HydrophobicContact CB-CG 4.11Å; D41-Y382 WeakPolarHBondContact OD2-CD2 3.29Å; D41-Y382 VanDerWaalsContact OD2-CE2 3.32Å; D41-Y382 WeakPolarHBondContact OD2-CE2 3.4Å; L44-Y382 HydrophobicContact CD1-CE1 4.27Å; L44-Y382 HydrophobicContact CD1-CE2 4.17Å; L44-Y382 VanDerWaalsContact CD1-OH 3.27Å; L44-Y382 WeakPolarHBondContact CD1-OH 3.28Å; F350-Y382 HydrophobicContact CB-CE1 4.3Å; F350-Y382 AromaticContact CD1-CD1 3.34Å; F350-Y382 HydrophobicContact CD1-CD1 3.34Å; F350-Y382 HydrophobicContact CD1-CD2 4.39Å; F350-Y382 AromaticContact CD1-CE1 3.8Å; F350-Y382 HydrophobicContact CD1-CE1 3.8Å; F350-Y382 AromaticContact CD1-CG 3.69Å; F350-Y382 HydrophobicContact CD1-CG 3.69Å; F350-Y382 AromaticContact CE1-CD1 3.82Å; F350-Y382 HydrophobicContact CE1-CD1 3.82Å; F350-Y382 AromaticContact CE1-CG 3.75Å; F350-Y382 HydrophobicContact CE1-CG 3.75Å; F350-Y382 HydrophobicContact CG-CD1 4.17Å; F350-Y382 HydrophobicContact CG-CE1 4.42Å; L353-Y382 HydrophobicContact CB-CE1 3.91Å; L353-Y382 HydrophobicContact CD1-CD1 4.19Å; L353-Y382 HydrophobicContact CD1-CE1 4.42Å; H354-Y382 PolarHBondContact ND1-OH 3.43Å; N378-Y382 WeakPolarHBondContact O-CB 3.36Å; N378-Y382 PolarHBondContact O-N 2.77Å; F379-Y382 PolarHBondContact O-N 2.92Å; K380-Y382 VanDerWaalsContact C-N 3.32Å; K380-Y382 PolarHBondContact O-N 3.39Å; Y382-A384 VanDerWaalsContact C-N 3.34Å; Y382-A384 PolarHBondContact O-N 3.45Å; Y382-K385 HydrophobicContact CD2-CD 4.2Å; Y382-K385 HydrophobicContact CE2-CD 4.48Å; Y382-K385 WeakPolarHBondContact O-CB 3.31Å; Y382-K385 PolarHBondContact O-N 3.3Å; Y382-M386 HydrophobicContact CD1-CG 4.23Å; Y382-M386 HydrophobicContact CD2-CG 4.44Å; Y382-M386 HydrophobicContact CE1-CG 3.85Å; Y382-M386 HydrophobicContact CE2-CG 4.07Å; Y382-M386 HydrophobicContact CE2-SD 4.1Å; Y382-M386 WeakPolarHBondContact O-CG 3.3Å; Y382-M386 PolarHBondContact O-N 3.06Å
383C98.7Very high98Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-59.5-45.7174-64.70000111.3W371 F379 K380 M386 S387 Y395W371-C383 HydrophobicContact CZ3-CB 4.23Å; F379-C383 WeakPolarHBondContact CZ-SG 3.36Å; F379-C383 PolarHBondContact O-N 2.88Å; F379-C383 PolarHBondContact O-SG 3.38Å; K380-C383 PolarHBondContact O-N 2.71Å; C383-M386 PolarHBondContact O-N 2.91Å; C383-S387 WeakPolarHBondContact O-CB 3.37Å; C383-S387 PolarHBondContact O-N 2.71Å; C383-S387 PolarHBondContact O-OG 3.3Å; C383-Y395 HydrophobicContact CB-CE1 3.85Å; C383-Y395 WeakPolarHBondContact CB-OH 3.42Å; C383-Y395 PolarHBondContact O-OH 2.87Å
384A98.1Very high98Very high0 Ų030.6 Ų30.60%015%0.148CC..Hα-helixtrans-59.7-48.8175.700000111.6K380 T381 Y382 M386 S387 I388 L680K380-A384 PolarHBondContact O-N 3.25Å; T381-A384 PolarHBondContact O-N 2.76Å; Y382-A384 VanDerWaalsContact C-N 3.34Å; Y382-A384 PolarHBondContact O-N 3.45Å; A384-M386 VanDerWaalsContact C-N 3.34Å; A384-M386 PolarHBondContact O-N 3.09Å; A384-S387 PolarHBondContact O-N 3.26Å; A384-S387 VanDerWaalsContact O-N 3.14Å; A384-I388 WeakPolarHBondContact O-CD1 3.36Å; A384-I388 WeakPolarHBondContact O-CG1 3.29Å; A384-I388 PolarHBondContact O-N 2.96Å; A384-L680 HydrophobicContact CB-CB 4.18Å; A384-L680 HydrophobicContact CB-CD2 3.96Å; A384-L680 HydrophobicContact CB-CG 4.14Å
385K98Very high98.1Very high80 Ų8025.3 Ų25.335%0.34813%0.128SC..Hα-helixtrans-54.1-48.6175.4174.7-177.4171-176.10111.8D41 T381 Y382 S387 I388 K389 N677D41-K385 IonicContact OD2-NZ 2.81Å; D41-K385 PolarHBondContact OD2-NZ 3.24Å; T381-K385 WeakPolarHBondContact O-CB 3.4Å; T381-K385 PolarHBondContact O-N 2.77Å; Y382-K385 HydrophobicContact CD2-CD 4.2Å; Y382-K385 HydrophobicContact CE2-CD 4.48Å; Y382-K385 WeakPolarHBondContact O-CB 3.31Å; Y382-K385 PolarHBondContact O-N 3.3Å; K385-S387 VanDerWaalsContact C-N 3.35Å; K385-S387 PolarHBondContact O-N 2.85Å; K385-I388 PolarHBondContact O-N 3.39Å; K385-K389 WeakPolarHBondContact O-CB 3.36Å; K385-K389 PolarHBondContact O-N 2.93Å; K385-N677 VanDerWaalsContact CA-OD1 3.27Å; K385-N677 WeakPolarHBondContact CA-OD1 3.36Å; K385-N677 PolarHBondContact N-OD1 3.17Å
386M98.1Very high98.1Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-67.8-34.2179.5-68.4-51.5-63.600112.4L356 Y382 C383 A384 K389 T390 I393L356-M386 HydrophobicContact CB-CE 3.64Å; L356-M386 HydrophobicContact CD1-CE 4.31Å; Y382-M386 HydrophobicContact CD1-CG 4.23Å; Y382-M386 HydrophobicContact CD2-CG 4.44Å; Y382-M386 HydrophobicContact CE1-CG 3.85Å; Y382-M386 HydrophobicContact CE2-CG 4.07Å; Y382-M386 HydrophobicContact CE2-SD 4.1Å; Y382-M386 WeakPolarHBondContact O-CG 3.3Å; Y382-M386 PolarHBondContact O-N 3.06Å; C383-M386 PolarHBondContact O-N 2.91Å; A384-M386 VanDerWaalsContact C-N 3.34Å; A384-M386 PolarHBondContact O-N 3.09Å; M386-K389 PolarHBondContact O-N 3.38Å; M386-T390 HydrophobicContact CE-CG2 3.98Å; M386-T390 WeakPolarHBondContact O-CB 3.46Å; M386-T390 WeakPolarHBondContact O-CG2 3.43Å; M386-T390 PolarHBondContact O-N 2.61Å; M386-T390 PolarHBondContact O-OG1 2.9Å; M386-I393 HydrophobicContact CB-CD1 3.5Å
387S97.9Very high98.1Very high0 Ų024.6 Ų24.60%012%0.124CC..Hα-helixtrans-67.8-43.4175.3-58.70000112C383 A384 K385 K389 T390 S391 Y395C383-S387 WeakPolarHBondContact O-CB 3.37Å; C383-S387 PolarHBondContact O-N 2.71Å; C383-S387 PolarHBondContact O-OG 3.3Å; A384-S387 PolarHBondContact O-N 3.26Å; A384-S387 VanDerWaalsContact O-N 3.14Å; K385-S387 VanDerWaalsContact C-N 3.35Å; K385-S387 PolarHBondContact O-N 2.85Å; S387-K389 VanDerWaalsContact C-N 3.29Å; S387-K389 PolarHBondContact O-N 3.47Å; S387-T390 PolarHBondContact O-N 2.78Å; S387-S391 WeakPolarHBondContact O-CA 3.5Å; S387-S391 PolarHBondContact O-N 2.82Å; S387-Y395 PolarHBondContact OG-OH 3.3Å
388I97.2Very high98.1Very high30 Ų3019 Ų1915%0.1549%0.093CC..Hα-helixtrans-60.8-41.5175.4-70.2157.9000110.6A384 K385 L669 Q676 N677 L680 V699A384-I388 WeakPolarHBondContact O-CD1 3.36Å; A384-I388 WeakPolarHBondContact O-CG1 3.29Å; A384-I388 PolarHBondContact O-N 2.96Å; K385-I388 PolarHBondContact O-N 3.39Å; I388-L669 HydrophobicContact CD1-CD1 4.42Å; I388-L669 HydrophobicContact CG1-CD1 4.09Å; I388-Q676 HydrophobicContact CD1-CB 3.79Å; I388-N677 WeakPolarHBondContact CD1-OD1 3.38Å; I388-L680 HydrophobicContact CD1-CD2 4.13Å; I388-L680 HydrophobicContact CG1-CD2 3.9Å; I388-V699 HydrophobicContact CB-CG1 4.43Å; I388-V699 HydrophobicContact CG1-CG1 4.24Å; I388-V699 HydrophobicContact CG1-CG2 4.12Å; I388-V699 HydrophobicContact CG2-CG1 4.22Å
389K96.5Very high98.1Very high130 Ų13017 Ų1757%0.5658%0.083SC*.Hα-helixtrans-73.6-35.8-178.5-174.3177-179.2-177.90113.6D357 K385 M386 S387D357-K389 WeakPolarHBondContact OD1-CD 3.46Å; D357-K389 WeakPolarHBondContact OD1-CE 3.44Å; D357-K389 IonicContact OD1-NZ 2.77Å; D357-K389 PolarHBondContact OD1-NZ 3.39Å; D357-K389 IonicContact OD2-NZ 3.51Å; D357-K389 PolarHBondContact OD2-NZ 2.92Å; K385-K389 WeakPolarHBondContact O-CB 3.36Å; K385-K389 PolarHBondContact O-N 2.93Å; M386-K389 PolarHBondContact O-N 3.38Å; S387-K389 VanDerWaalsContact C-N 3.29Å; S387-K389 PolarHBondContact O-N 3.47Å
390T97.1Very high98Very high7 Ų718.2 Ų18.24%0.0439%0.089CC..Hα-helixtrans-127.1-18.8-162.172.10000115.2L356 P361 M386 S387 S392L356-T390 HydrophobicContact CB-CG2 4.04Å; P361-T390 HydrophobicContact CG-CG2 4.15Å; M386-T390 HydrophobicContact CE-CG2 3.98Å; M386-T390 WeakPolarHBondContact O-CB 3.46Å; M386-T390 WeakPolarHBondContact O-CG2 3.43Å; M386-T390 PolarHBondContact O-N 2.61Å; M386-T390 PolarHBondContact O-OG1 2.9Å; S387-T390 PolarHBondContact O-N 2.78Å; T390-S392 PolarHBondContact O-N 2.9Å; T390-S392 PolarHBondContact O-OG 2.9Å; T390-S392 PolarHBondContact OG1-N 2.78Å
391S97.4Very high98Very high5 Ų518 Ų184%0.0359%0.088CC..SBendtrans47.830.8-172.5-60.10000114S387 V699 F700 R721S387-S391 WeakPolarHBondContact O-CA 3.5Å; S387-S391 PolarHBondContact O-N 2.82Å; S391-V699 PolarHBondContact OG-N 3.05Å; S391-F700 WeakPolarHBondContact OG-CD1 3.35Å; S391-R721 VanDerWaalsContact O-CD 3.24Å; S391-R721 WeakPolarHBondContact O-CD 3.39Å; S391-R721 VanDerWaalsContact O-CG 3.27Å; S391-R721 WeakPolarHBondContact O-CG 3.44Å
392S97.5Very high98Very high1 Ų116.4 Ų16.41%0.0078%0.076CC..  trans-106-10.9-171.6-59.70000113.7T390 T719 R721T390-S392 PolarHBondContact O-N 2.9Å; T390-S392 PolarHBondContact O-OG 2.9Å; T390-S392 PolarHBondContact OG1-N 2.78Å; S392-T719 WeakPolarHBondContact OG-CG2 3.39Å; S392-R721 PolarHBondContact O-NH1 3.27Å
393I97.6Very high97.8Very high0 Ų024.3 Ų24.30%011%0.112CC..  trans-97.6144.4-174.7-58.2170.3000110.7L353 L356 V369 M386 Y395L353-I393 HydrophobicContact CD1-CD1 4.41Å; L353-I393 HydrophobicContact CD2-CD1 3.75Å; L353-I393 HydrophobicContact CD2-CG1 4.08Å; L356-I393 HydrophobicContact CD1-CD1 4.27Å; L356-I393 HydrophobicContact CD1-CG1 3.96Å; V369-I393 HydrophobicContact CB-CG2 4.5Å; V369-I393 HydrophobicContact CG2-CG2 3.71Å; M386-I393 HydrophobicContact CB-CD1 3.5Å; I393-Y395 HydrophobicContact CG2-CE1 4.31Å; I393-Y395 HydrophobicContact CG2-CE2 4.01Å
394Q98.4Very high97.6Very high0 Ų026.8 Ų26.80%013%0.13CC..EExtended strand (participates in β ladder)trans-11615916363.6176.321.300112N366 L367 T368 V369 C414 H694 N696 G724N366-Q394 PolarHBondContact ND2-NE2 3.37Å; N366-Q394 VanDerWaalsContact ND2-NE2 3.12Å; L367-Q394 PolarHBondContact O-N 2.88Å; L367-Q394 VanDerWaalsContact O-N 3.09Å; T368-Q394 CarbonylContact C-O 3.52Å; T368-Q394 WeakPolarHBondContact CA-O 3.3Å; T368-Q394 HydrophobicContact CG2-CG 3.95Å; T368-Q394 WeakPolarHBondContact OG1-CG 3.38Å; T368-Q394 PolarHBondContact OG1-NE2 3.36Å; V369-Q394 PolarHBondContact N-O 3.38Å; Q394-C414 PolarHBondContact NE2-O 3.21Å; Q394-H694 PolarHBondContact OE1-NE2 3.42Å; Q394-H694 VanDerWaalsContact OE1-NE2 3.12Å; Q394-N696 WeakPolarHBondContact CB-OD1 3.2Å; Q394-N696 PolarHBondContact OE1-OD1 2.94Å; Q394-G724 VanDerWaalsContact OE1-C 3.31Å; Q394-G724 PolarHBondContact OE1-O 2.77Å
395Y98.8Very high97.5Very high4 Ų427.8 Ų27.82%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-124.2136.3-176.9-61.8-88.6000110.1V369 W371 C383 S387 I393 L684 H694 L695 I697V369-Y395 HydrophobicContact CB-CD1 3.72Å; V369-Y395 HydrophobicContact CB-CE1 3.92Å; V369-Y395 HydrophobicContact CG1-CD1 4Å; V369-Y395 HydrophobicContact CG1-CE1 4.13Å; V369-Y395 HydrophobicContact CG2-CD1 4.45Å; V369-Y395 HydrophobicContact CG2-CE1 4.2Å; V369-Y395 WeakPolarHBondContact O-CA 3.46Å; W371-Y395 HydrophobicContact CB-CD1 4.44Å; W371-Y395 HydrophobicContact CD2-CD1 4.21Å; W371-Y395 AromaticContact CE3-CD1 3.48Å; W371-Y395 HydrophobicContact CE3-CD1 3.48Å; W371-Y395 VanDerWaalsContact CE3-CD1 3.48Å; W371-Y395 AromaticContact CE3-CE1 3.59Å; W371-Y395 HydrophobicContact CE3-CE1 3.59Å; W371-Y395 HydrophobicContact CZ3-CD1 4.04Å; W371-Y395 AromaticContact CZ3-CE1 3.67Å; W371-Y395 HydrophobicContact CZ3-CE1 3.67Å; C383-Y395 HydrophobicContact CB-CE1 3.85Å; C383-Y395 WeakPolarHBondContact CB-OH 3.42Å; C383-Y395 PolarHBondContact O-OH 2.87Å; S387-Y395 PolarHBondContact OG-OH 3.3Å; I393-Y395 HydrophobicContact CG2-CE1 4.31Å; I393-Y395 HydrophobicContact CG2-CE2 4.01Å; Y395-L684 HydrophobicContact CD1-CD1 4.09Å; Y395-L684 HydrophobicContact CD1-CD2 4.16Å; Y395-L684 HydrophobicContact CD2-CD1 4.33Å; Y395-L684 HydrophobicContact CD2-CD2 3.74Å; Y395-L684 HydrophobicContact CE1-CD1 3.79Å; Y395-L684 HydrophobicContact CE2-CD1 4.07Å; Y395-L684 HydrophobicContact CE2-CD2 4.25Å; Y395-L684 HydrophobicContact CG-CD1 4.33Å; Y395-L684 HydrophobicContact CG-CD2 3.69Å; Y395-H694 CarbonylContact O-C 3.46Å; Y395-H694 VanDerWaalsContact O-CA 3.28Å; Y395-H694 WeakPolarHBondContact O-CA 3.47Å; Y395-L695 PolarHBondContact N-O 3.28Å; Y395-L695 PolarHBondContact O-N 3.17Å; Y395-I697 HydrophobicContact CD2-CG1 3.83Å; Y395-I697 HydrophobicContact CE2-CB 4.3Å; Y395-I697 HydrophobicContact CE2-CG1 3.79Å
396E98.7Very high97.5Very high1 Ų125.2 Ų25.21%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-132.6141.3173.8-59.5-154.7-12400111.2T368 V369 L370 W371 D398 M401 I411 V415 H693 H694T368-E396 HydrophobicContact CG2-CB 4.33Å; T368-E396 HydrophobicContact CG2-CG 3.77Å; V369-E396 PolarHBondContact O-N 2.59Å; L370-E396 CarbonylContact C-O 3.4Å; L370-E396 WeakPolarHBondContact CA-O 3.44Å; L370-E396 HydrophobicContact CD2-CB 4.49Å; W371-E396 PolarHBondContact N-O 2.95Å; E396-D398 PolarHBondContact O-N 3.22Å; E396-M401 HydrophobicContact CB-CE 3.4Å; E396-I411 WeakPolarHBondContact OE1-CG1 3.44Å; E396-I411 WeakPolarHBondContact OE1-CG2 3.37Å; E396-V415 WeakPolarHBondContact OE1-CA 3.35Å; E396-V415 WeakPolarHBondContact OE2-CA 3.41Å; E396-H693 CarbonylContact C-O 3.53Å; E396-H693 WeakPolarHBondContact CA-O 3.48Å; E396-H693 IonicContact OE2-CE1 2.88Å; E396-H693 PolarHBondContact OE2-CE1 3.44Å; E396-H693 IonicContact OE2-ND1 2.82Å; E396-H693 IonicContact OE2-NE2 2.71Å; E396-H694 HydrophobicContact CG-CB 3.89Å
397N98.7Very high97.5Very high4 Ų425.4 Ų25.42%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-78.296.8-168-172.7-9.5000111.6D399 I400 M401 A688 G692 H693N397-D399 PolarHBondContact O-N 3.15Å; N397-D399 WeakPolarHBondContact OD1-CA 3.43Å; N397-D399 WeakPolarHBondContact OD1-CB 3.41Å; N397-D399 PolarHBondContact OD1-N 3.02Å; N397-I400 HydrophobicContact CB-CD1 4.12Å; N397-I400 HydrophobicContact CB-CG1 3.94Å; N397-I400 WeakPolarHBondContact O-CG1 3.39Å; N397-I400 PolarHBondContact O-N 2.96Å; N397-I400 PolarHBondContact OD1-N 3.42Å; N397-M401 WeakPolarHBondContact O-CE 3.25Å; N397-M401 WeakPolarHBondContact O-CG 3.3Å; N397-M401 PolarHBondContact O-N 3.09Å; N397-A688 WeakPolarHBondContact ND2-CA 3.45Å; N397-A688 PolarHBondContact ND2-O 3.27Å; N397-G692 WeakPolarHBondContact CB-O 3.18Å; N397-G692 PolarHBondContact ND2-O 3.42Å; N397-H693 WeakPolarHBondContact CB-O 3.33Å; N397-H693 PolarHBondContact N-O 2.95Å
398D98.8Very high97.6Very high0 Ų026.1 Ų26.10%014%0.135CC..Hα-helixtrans-64.8-23.9175.6-169.648.2000112.2G336 V337 L370 W371 E396 I400 R402 Y409G336-D398 WeakPolarHBondContact CA-OD2 3.47Å; V337-D398 PolarHBondContact N-OD2 3.37Å; L370-D398 HydrophobicContact CB-CB 4.02Å; W371-D398 VanDerWaalsContact O-CB 3.28Å; W371-D398 WeakPolarHBondContact O-CB 3.48Å; W371-D398 PolarHBondContact O-N 2.96Å; E396-D398 PolarHBondContact O-N 3.22Å; D398-I400 VanDerWaalsContact C-N 3.33Å; D398-I400 PolarHBondContact O-N 3.2Å; D398-R402 VanDerWaalsContact CG-NH1 3.29Å; D398-R402 WeakPolarHBondContact O-CB 3.39Å; D398-R402 PolarHBondContact O-N 3.04Å; D398-R402 VanDerWaalsContact O-N 3.07Å; D398-R402 PolarHBondContact O-NH1 3.3Å; D398-R402 IonicContact OD2-CZ 2.84Å; D398-R402 IonicContact OD2-NH1 2.81Å; D398-R402 PolarHBondContact OD2-NH1 3.08Å; D398-Y409 WeakPolarHBondContact CA-OH 3.39Å; D398-Y409 WeakPolarHBondContact OD1-CE1 3.48Å; D398-Y409 VanDerWaalsContact OD1-CZ 3.28Å; D398-Y409 PolarHBondContact OD1-OH 3.03Å
399D98Very high97.7Very high28 Ų2824.7 Ų24.715%0.1513%0.127CC..Hα-helixtrans-67.1-33.9179.6-69.6-38.8000113S372 V373 N397 R402S372-D399 VanDerWaalsContact CA-OD2 3.26Å; S372-D399 WeakPolarHBondContact CA-OD2 3.2Å; S372-D399 WeakPolarHBondContact CB-OD1 3.43Å; S372-D399 WeakPolarHBondContact CB-OD2 3.37Å; S372-D399 PolarHBondContact OG-OD1 3.23Å; S372-D399 PolarHBondContact OG-OD2 3.08Å; V373-D399 PolarHBondContact N-OD2 3.48Å; N397-D399 PolarHBondContact O-N 3.15Å; N397-D399 WeakPolarHBondContact OD1-CA 3.43Å; N397-D399 WeakPolarHBondContact OD1-CB 3.41Å; N397-D399 PolarHBondContact OD1-N 3.02Å; D399-R402 IonicContact OD1-CZ 3.98Å; D399-R402 IonicContact OD1-NH1 3.46Å; D399-R402 PolarHBondContact OD1-NH1 2.83Å; D399-R402 IonicContact OD1-NH2 3.45Å; D399-R402 PolarHBondContact OD1-NH2 3.45Å
400I97.4Very high97.8Very high26 Ų2618.5 Ų18.513%0.13310%0.101CC..Hα-helixtrans-91.7-34.417667.3178.9000112.6N397 D398 Y651 C691 H693N397-I400 HydrophobicContact CB-CD1 4.12Å; N397-I400 HydrophobicContact CB-CG1 3.94Å; N397-I400 WeakPolarHBondContact O-CG1 3.39Å; N397-I400 PolarHBondContact O-N 2.96Å; N397-I400 PolarHBondContact OD1-N 3.42Å; D398-I400 VanDerWaalsContact C-N 3.33Å; D398-I400 PolarHBondContact O-N 3.2Å; I400-Y651 HydrophobicContact CD1-CD1 3.92Å; I400-Y651 HydrophobicContact CD1-CG 3.91Å; I400-Y651 HydrophobicContact CG1-CD1 4.17Å; I400-C691 HydrophobicContact CG2-CB 4.2Å; I400-H693 HydrophobicContact CD1-CB 4.23Å
401M98.4Very high97.8Very high0 Ų018.2 Ų18.20%010%0.098CC..Hα-helixtrans-75.6-38.2-176-70.9-170.4-7300112.8L370 E396 N397 E403 S404 Y405 Y409 I411 A417 Y651L370-M401 HydrophobicContact CD2-CE 4.14Å; E396-M401 HydrophobicContact CB-CE 3.4Å; N397-M401 WeakPolarHBondContact O-CE 3.25Å; N397-M401 WeakPolarHBondContact O-CG 3.3Å; N397-M401 PolarHBondContact O-N 3.09Å; M401-E403 PolarHBondContact O-N 3.35Å; M401-E403 VanDerWaalsContact O-N 3.12Å; M401-S404 PolarHBondContact O-N 2.88Å; M401-Y405 HydrophobicContact CB-CD2 4.23Å; M401-Y405 VanDerWaalsContact O-CD2 3.26Å; M401-Y405 WeakPolarHBondContact O-CD2 3.48Å; M401-Y405 PolarHBondContact O-N 2.81Å; M401-Y409 HydrophobicContact CB-CE1 4.41Å; M401-Y409 HydrophobicContact CB-CE2 3.95Å; M401-Y409 HydrophobicContact CE-CE2 3.87Å; M401-Y409 WeakPolarHBondContact CE-OH 3.5Å; M401-Y409 HydrophobicContact SD-CE2 3.89Å; M401-I411 HydrophobicContact CE-CD1 4.18Å; M401-I411 HydrophobicContact SD-CD1 3.96Å; M401-A417 HydrophobicContact SD-CB 3.83Å; M401-Y651 HydrophobicContact CG-CE1 4.06Å
402R97.7Very high97.8Very high26 Ų2618 Ų1810%0.09810%0.097CC..Hα-helixtrans-59.6-26.9-178.4-178.4175.161.7-115.3-13113V337 I339 D398 D399 S404 G406 Y409V337-R402 WeakPolarHBondContact O-CD 3.34Å; I339-R402 HydrophobicContact CG2-CG 4.45Å; D398-R402 VanDerWaalsContact CG-NH1 3.29Å; D398-R402 WeakPolarHBondContact O-CB 3.39Å; D398-R402 PolarHBondContact O-N 3.04Å; D398-R402 VanDerWaalsContact O-N 3.07Å; D398-R402 PolarHBondContact O-NH1 3.3Å; D398-R402 IonicContact OD2-CZ 2.84Å; D398-R402 IonicContact OD2-NH1 2.81Å; D398-R402 PolarHBondContact OD2-NH1 3.08Å; D399-R402 IonicContact OD1-CZ 3.98Å; D399-R402 IonicContact OD1-NH1 3.46Å; D399-R402 PolarHBondContact OD1-NH1 2.83Å; D399-R402 IonicContact OD1-NH2 3.45Å; D399-R402 PolarHBondContact OD1-NH2 3.45Å; R402-S404 VanDerWaalsContact C-N 3.31Å; R402-S404 PolarHBondContact O-N 3.14Å; R402-G406 WeakPolarHBondContact CA-O 3.37Å; R402-G406 WeakPolarHBondContact CG-O 3.46Å; R402-G406 WeakPolarHBondContact O-CA 3.3Å; R402-G406 PolarHBondContact O-N 3.1Å; R402-Y409 HydrophobicContact CB-CE1 4.46Å
403E94.6Very high97.8Very high168 Ų16818.1 Ų18.179%0.78510%0.098SC*.Hα-helixtrans-64.3-36.3175.1-59.2-170.9171.200112.3M401M401-E403 PolarHBondContact O-N 3.35Å; M401-E403 VanDerWaalsContact O-N 3.12Å
404S93.9Very high97.6Very high53 Ų5318.1 Ų18.137%0.37110%0.098SC..Hα-helixtrans-89.9-35.8-179.5-71.30000113.3M401 R402M401-S404 PolarHBondContact O-N 2.88Å; R402-S404 VanDerWaalsContact C-N 3.31Å; R402-S404 PolarHBondContact O-N 3.14Å
405Y97.7Very high97.6Very high21 Ų2118.1 Ų18.18%0.08210%0.098CC..Hα-helixtrans-115.2-1.9-167.6-54.6-76.5000114.9M401 A417 T419 Y651 K655M401-Y405 HydrophobicContact CB-CD2 4.23Å; M401-Y405 VanDerWaalsContact O-CD2 3.26Å; M401-Y405 WeakPolarHBondContact O-CD2 3.48Å; M401-Y405 PolarHBondContact O-N 2.81Å; Y405-A417 HydrophobicContact CD2-CB 3.66Å; Y405-A417 HydrophobicContact CE1-CB 4.48Å; Y405-A417 HydrophobicContact CE2-CB 3.54Å; Y405-A417 HydrophobicContact CG-CB 4.21Å; Y405-T419 PolarHBondContact O-OG1 3.28Å; Y405-T419 VanDerWaalsContact O-OG1 3.1Å; Y405-Y651 WeakPolarHBondContact CE2-OH 3.28Å; Y405-K655 PolarHBondContact OH-O 3.36Å
406G97.7Very high97.6Very high25 Ų2518 Ų1826%0.25810%0.097SC..  trans75.4-155-174.900000112.5R402 Y409R402-G406 WeakPolarHBondContact CA-O 3.37Å; R402-G406 WeakPolarHBondContact CG-O 3.46Å; R402-G406 WeakPolarHBondContact O-CA 3.3Å; R402-G406 PolarHBondContact O-N 3.1Å; G406-Y409 WeakPolarHBondContact O-CD1 3.39Å; G406-Y409 WeakPolarHBondContact O-CE1 3.5Å
407D98.6Very high97.5Very high5 Ų517.9 Ų17.93%0.02710%0.097CC..SBendtrans-108.54.6-174.157.119.2000115R27 Q31 R274 I339 L344R27-D407 IonicContact CZ-OD1 2.78Å; R27-D407 IonicContact CZ-OD2 3.51Å; R27-D407 IonicContact NE-OD1 2.79Å; R27-D407 PolarHBondContact NE-OD1 2.93Å; R27-D407 IonicContact NE-OD2 2.9Å; R27-D407 IonicContact NH2-OD1 3.84Å; R27-D407 PolarHBondContact NH2-OD1 3.08Å; R27-D407 IonicContact NH2-OD2 3.55Å; R27-D407 PolarHBondContact NH2-OD2 3.45Å; Q31-D407 PolarHBondContact NE2-OD2 3.48Å; R274-D407 PolarHBondContact NH1-O 3.05Å; R274-D407 VanDerWaalsContact NH1-O 3.1Å; I339-D407 WeakPolarHBondContact CG1-OD2 3.43Å; I339-D407 HydrophobicContact CG2-CB 4Å; I339-D407 PolarHBondContact N-OD2 3.05Å; L344-D407 HydrophobicContact CD1-CB 4.17Å; L344-D407 WeakPolarHBondContact CD1-O 3.45Å
408D98.7Very high97.5Very high15 Ų1517.7 Ų17.78%0.0810%0.096CC..SBendtrans-127.144.1176.1-164.138000112R27 R183 I420R27-D408 HydrophobicContact CB-CB 3.78Å; R27-D408 HydrophobicContact CG-CB 3.5Å; R183-D408 IonicContact CZ-OD1 3.58Å; R183-D408 IonicContact CZ-OD2 2.72Å; R183-D408 IonicContact NH1-OD1 3.52Å; R183-D408 PolarHBondContact NH1-OD1 3.15Å; R183-D408 IonicContact NH1-OD2 3.77Å; R183-D408 IonicContact NH2-OD1 2.96Å; R183-D408 PolarHBondContact NH2-OD1 2.71Å; R183-D408 IonicContact NH2-OD2 3.15Å; R183-D408 PolarHBondContact NH2-OD2 3.2Å; D408-I420 PolarHBondContact O-N 3.48Å; D408-I420 VanDerWaalsContact O-N 3.11Å
409Y98.8Very high97.5Very high0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-96.4156.3167.476.9-83.3000110.5R274 L370 D398 M401 R402 G406 I411 A417 M418R274-Y409 WeakPolarHBondContact CD-O 3.49Å; R274-Y409 PolarHBondContact NH1-O 3.47Å; L370-Y409 HydrophobicContact CD1-CE1 4.43Å; L370-Y409 HydrophobicContact CD1-CE2 4.18Å; L370-Y409 HydrophobicContact CD2-CE2 3.88Å; D398-Y409 WeakPolarHBondContact CA-OH 3.39Å; D398-Y409 WeakPolarHBondContact OD1-CE1 3.48Å; D398-Y409 VanDerWaalsContact OD1-CZ 3.28Å; D398-Y409 PolarHBondContact OD1-OH 3.03Å; M401-Y409 HydrophobicContact CB-CE1 4.41Å; M401-Y409 HydrophobicContact CB-CE2 3.95Å; M401-Y409 HydrophobicContact CE-CE2 3.87Å; M401-Y409 WeakPolarHBondContact CE-OH 3.5Å; M401-Y409 HydrophobicContact SD-CE2 3.89Å; R402-Y409 HydrophobicContact CB-CE1 4.46Å; G406-Y409 WeakPolarHBondContact O-CD1 3.39Å; G406-Y409 WeakPolarHBondContact O-CE1 3.5Å; Y409-I411 HydrophobicContact CD2-CD1 4.38Å; Y409-I411 HydrophobicContact CE2-CD1 4.06Å; Y409-A417 HydrophobicContact CD2-CB 3.79Å; Y409-A417 HydrophobicContact CE2-CB 4.18Å; Y409-M418 CarbonylContact C-O 3.14Å; Y409-M418 WeakPolarHBondContact CA-O 3.21Å; Y409-M418 VanDerWaalsContact CB-O 3.23Å; Y409-M418 WeakPolarHBondContact CB-O 3.26Å
410G98.4Very high97.5Very high0 Ų018.1 Ų18.10%010%0.099CC..EExtended strand (participates in β ladder)trans-132.3171.1168.600000111.2S333 A417 M418S333-G410 VanDerWaalsContact OG-CA 3.3Å; S333-G410 WeakPolarHBondContact OG-CA 3.43Å; G410-A417 WeakPolarHBondContact O-CA 3.04Å; G410-M418 PolarHBondContact N-O 3.48Å; G410-M418 PolarHBondContact O-N 3.11Å
411I98.7Very high97.6Very high0 Ų016.9 Ų16.90%09%0.093CC..EExtended strand (participates in β ladder)trans-96.5122.9-178.8-56.1-53.9000109.4T331 S333 T368 L370 E396 M401 Y409 C414 A417T331-I411 WeakPolarHBondContact CB-O 3.35Å; T331-I411 HydrophobicContact CG2-CB 3.99Å; T331-I411 HydrophobicContact CG2-CG2 4.03Å; T331-I411 WeakPolarHBondContact CG2-O 3.39Å; S333-I411 PolarHBondContact OG-N 3.12Å; T368-I411 HydrophobicContact CG2-CB 4.37Å; T368-I411 HydrophobicContact CG2-CG1 3.85Å; L370-I411 HydrophobicContact CD2-CD1 4.25Å; L370-I411 HydrophobicContact CD2-CG1 4.04Å; E396-I411 WeakPolarHBondContact OE1-CG1 3.44Å; E396-I411 WeakPolarHBondContact OE1-CG2 3.37Å; M401-I411 HydrophobicContact CE-CD1 4.18Å; M401-I411 HydrophobicContact SD-CD1 3.96Å; Y409-I411 HydrophobicContact CD2-CD1 4.38Å; Y409-I411 HydrophobicContact CE2-CD1 4.06Å; I411-C414 WeakPolarHBondContact CG2-O 3.4Å; I411-A417 HydrophobicContact CD1-CB 4.03Å
412A97.8Very high97.6Very high0 Ų020.9 Ų20.90%011%0.111CC..EExtended strand (participates in β ladder)trans-91.7139.7167.200000110.8I179 C414 S416 M418I179-A412 HydrophobicContact CD1-CB 3.89Å; I179-A412 HydrophobicContact CG1-CB 4.18Å; A412-C414 PolarHBondContact O-N 2.56Å; A412-S416 PolarHBondContact N-O 3.33Å; A412-S416 WeakPolarHBondContact O-CB 3.32Å; A412-S416 PolarHBondContact O-N 3.32Å; A412-M418 HydrophobicContact CB-CE 3.31Å; A412-M418 HydrophobicContact CB-SD 4.29Å
413C96.3Very high97.6Very high5 Ų520.3 Ų20.33%0.03411%0.109CC..THydrogen-bonded Turntrans58.7-107.4-177.7-173.30000111.2R177 A269 S271 T331 N366R177-C413 VanDerWaalsContact NE-CB 3.32Å; A269-C413 HydrophobicContact CB-CB 3.36Å; S271-C413 PolarHBondContact OG-N 3Å; T331-C413 PolarHBondContact OG1-O 3.1Å; N366-C413 PolarHBondContact ND2-O 3.35Å
414C93.7Very high97.8Very high0 Ų012.4 Ų12.40%07%0.072CC..THydrogen-bonded Turntrans-103-53.5-172.8-67.70000113.2W329 Q394 I411 A412 L599 I601 G724W329-C414 PolarHBondContact NE1-SG 3.48Å; Q394-C414 PolarHBondContact NE2-O 3.21Å; I411-C414 WeakPolarHBondContact CG2-O 3.4Å; A412-C414 PolarHBondContact O-N 2.56Å; C414-L599 HydrophobicContact CB-CD1 4Å; C414-L599 HydrophobicContact CB-CD2 4.12Å; C414-I601 WeakPolarHBondContact SG-CD1 3.25Å; C414-G724 VanDerWaalsContact CA-O 3.32Å; C414-G724 WeakPolarHBondContact CA-O 3.48Å; C414-G724 VanDerWaalsContact CB-O 3.27Å; C414-G724 WeakPolarHBondContact CB-O 3.14Å; C414-G724 PolarHBondContact SG-O 2.77Å
415V98.1Very high98.1Very high0 Ų010 Ų100%06%0.055CC..THydrogen-bonded Turntrans-146.614.4-161.2-68.50000113.3E396 L599 D656 G657 H693 H694E396-V415 WeakPolarHBondContact OE1-CA 3.35Å; E396-V415 WeakPolarHBondContact OE2-CA 3.41Å; V415-L599 HydrophobicContact CG2-CD1 4.33Å; V415-L599 HydrophobicContact CG2-CD2 4.15Å; V415-D656 CarbonylContact C-O 3.16Å; V415-G657 VanDerWaalsContact O-CA 3.32Å; V415-G657 WeakPolarHBondContact O-CA 3.37Å; V415-H693 PolarHBondContact O-CE1 2.72Å; V415-H693 VanDerWaalsContact O-CE1 3.26Å; V415-H694 HydrophobicContact CB-CB 4.45Å; V415-H694 HydrophobicContact CG1-CB 3.52Å; V415-H694 WeakPolarHBondContact CG1-CD2 3.08Å
416S98.2Very high98.1Very high0 Ų09 Ų90%05%0.051CC..EExtended strand (participates in β ladder)trans-109.793.7-164.6-49.90000110.5R177 A412 Q425 D656R177-S416 PolarHBondContact NH1-OG 3.31Å; R177-S416 PolarHBondContact NH2-OG 3.1Å; A412-S416 PolarHBondContact N-O 3.33Å; A412-S416 WeakPolarHBondContact O-CB 3.32Å; A412-S416 PolarHBondContact O-N 3.32Å; S416-Q425 PolarHBondContact O-NE2 3.47Å; S416-D656 WeakPolarHBondContact CA-O 3.24Å; S416-D656 WeakPolarHBondContact CB-O 3.38Å; S416-D656 WeakPolarHBondContact CB-OD1 3.49Å; S416-D656 PolarHBondContact OG-O 3.27Å; S416-D656 PolarHBondContact OG-OD1 2.69Å; S416-D656 PolarHBondContact OG-OD2 2.97Å
417A98.4Very high98.2Very high0 Ų08.1 Ų8.10%04%0.04CC..EExtended strand (participates in β ladder)trans-64.9140.6-179.600000112.5M401 Y405 Y409 G410 I411 Q425M401-A417 HydrophobicContact SD-CB 3.83Å; Y405-A417 HydrophobicContact CD2-CB 3.66Å; Y405-A417 HydrophobicContact CE1-CB 4.48Å; Y405-A417 HydrophobicContact CE2-CB 3.54Å; Y405-A417 HydrophobicContact CG-CB 4.21Å; Y409-A417 HydrophobicContact CD2-CB 3.79Å; Y409-A417 HydrophobicContact CE2-CB 4.18Å; G410-A417 WeakPolarHBondContact O-CA 3.04Å; I411-A417 HydrophobicContact CD1-CB 4.03Å; A417-Q425 PolarHBondContact O-NE2 2.82Å
418M98.4Very high98.1Very high0 Ų07.9 Ų7.90%04%0.039CC..EExtended strand (participates in β ladder)trans-145.7141.9169.260.7179.362.800110.5R177 I179 Y409 G410 A412 I420 Q423 Q425R177-M418 WeakPolarHBondContact O-CE 3.34Å; I179-M418 HydrophobicContact CB-SD 3.78Å; I179-M418 HydrophobicContact CD1-CG 4.21Å; I179-M418 HydrophobicContact CD1-SD 3.81Å; I179-M418 HydrophobicContact CG1-CE 4.38Å; I179-M418 HydrophobicContact CG1-SD 3.62Å; Y409-M418 CarbonylContact C-O 3.14Å; Y409-M418 WeakPolarHBondContact CA-O 3.21Å; Y409-M418 VanDerWaalsContact CB-O 3.23Å; Y409-M418 WeakPolarHBondContact CB-O 3.26Å; G410-M418 PolarHBondContact N-O 3.48Å; G410-M418 PolarHBondContact O-N 3.11Å; A412-M418 HydrophobicContact CB-CE 3.31Å; A412-M418 HydrophobicContact CB-SD 4.29Å; M418-I420 HydrophobicContact CG-CD1 4.49Å; M418-I420 PolarHBondContact O-N 3.23Å; M418-Q423 HydrophobicContact CB-CB 4.05Å; M418-Q423 HydrophobicContact CB-CG 4.01Å; M418-Q425 HydrophobicContact CE-CG 4.49Å; M418-Q425 VanDerWaalsContact CE-NE2 3.31Å
419T98.6Very high98Very high32 Ų327.3 Ų7.320%0.1964%0.036CC..EExtended strand (participates in β ladder)trans-67120168.4-52.40000109.6Y405 G421 K422 Q423Y405-T419 PolarHBondContact O-OG1 3.28Å; Y405-T419 VanDerWaalsContact O-OG1 3.1Å; T419-G421 PolarHBondContact O-N 3.2Å; T419-K422 HydrophobicContact CG2-CB 4.08Å; T419-K422 HydrophobicContact CG2-CD 3.93Å; T419-K422 HydrophobicContact CG2-CG 4.33Å; T419-K422 PolarHBondContact O-N 2.89Å; T419-K422 VanDerWaalsContact O-N 3.07Å; T419-Q423 PolarHBondContact O-N 3.27Å; T419-Q423 VanDerWaalsContact O-N 3.11Å
420I98.6Very high98Very high4 Ų47.5 Ų7.52%0.0214%0.037CC..THydrogen-bonded Turntrans-63130.9-169.3-62.3-62.5000110.9I179 D181 D408 M418 K422I179-I420 HydrophobicContact CB-CD1 4.16Å; I179-I420 HydrophobicContact CD1-CD1 4.06Å; I179-I420 HydrophobicContact CG2-CD1 3.83Å; D181-I420 HydrophobicContact CB-CG2 3.67Å; D408-I420 PolarHBondContact O-N 3.48Å; D408-I420 VanDerWaalsContact O-N 3.11Å; M418-I420 HydrophobicContact CG-CD1 4.49Å; M418-I420 PolarHBondContact O-N 3.23Å; I420-K422 PolarHBondContact O-N 3.37Å
421G98.4Very high98Very high0 Ų07.5 Ų7.50%04%0.037CC..THydrogen-bonded Turntrans69.66.1-178.800000114.8R184 T419 H509 D510R184-G421 PolarHBondContact NH2-O 3Å; T419-G421 PolarHBondContact O-N 3.2Å; G421-H509 VanDerWaalsContact CA-CD2 3.48Å; G421-H509 WeakPolarHBondContact CA-CD2 3.44Å; G421-H509 CarbonylContact O-C 3.52Å; G421-H509 VanDerWaalsContact O-CA 3.25Å; G421-H509 WeakPolarHBondContact O-CA 3.43Å; G421-H509 WeakPolarHBondContact O-CB 3.37Å; G421-D510 PolarHBondContact O-N 2.87Å
422K98.6Very high98Very high85 Ų857.5 Ų7.537%0.374%0.037SC..THydrogen-bonded Turntrans-129.2-12.4-177.8-60.2-175.7-175.8-70.70113.7T419 I420 D510 I513 V514T419-K422 HydrophobicContact CG2-CB 4.08Å; T419-K422 HydrophobicContact CG2-CD 3.93Å; T419-K422 HydrophobicContact CG2-CG 4.33Å; T419-K422 PolarHBondContact O-N 2.89Å; T419-K422 VanDerWaalsContact O-N 3.07Å; I420-K422 PolarHBondContact O-N 3.37Å; K422-D510 IonicContact NZ-OD1 3.36Å; K422-D510 IonicContact NZ-OD2 3.82Å; K422-D510 PolarHBondContact NZ-OD2 3.04Å; K422-I513 WeakPolarHBondContact O-CA 3.32Å; K422-I513 WeakPolarHBondContact O-CB 3.47Å; K422-V514 PolarHBondContact O-N 3.29Å
423Q98.6Very high98Very high14 Ų147.6 Ų7.67%0.0654%0.037CC..EExtended strand (participates in β ladder)trans-145.8147.2-176.6179.9175.910.400110.9M418 T419 H509 V514M418-Q423 HydrophobicContact CB-CB 4.05Å; M418-Q423 HydrophobicContact CB-CG 4.01Å; T419-Q423 PolarHBondContact O-N 3.27Å; T419-Q423 VanDerWaalsContact O-N 3.11Å; Q423-H509 PolarHBondContact O-NE2 3.24Å; Q423-V514 CarbonylContact C-O 3.46Å; Q423-V514 VanDerWaalsContact CA-O 3.28Å; Q423-V514 WeakPolarHBondContact CA-O 3.29Å; Q423-V514 HydrophobicContact CB-CB 4.13Å; Q423-V514 HydrophobicContact CG-CB 3.95Å; Q423-V514 HydrophobicContact CG-CG1 4.12Å
424M98.5Very high98.1Very high1 Ų17.4 Ų7.41%0.0054%0.036CC..EExtended strand (participates in β ladder)trans-136.3167.3168.170.1173.3-79.100110.6I178 F426 M506 I513 V514 R515 T516I178-M424 HydrophobicContact CD1-CE 3.71Å; I178-M424 HydrophobicContact CD1-SD 4.5Å; I178-M424 HydrophobicContact CG1-CB 4.11Å; I178-M424 HydrophobicContact CG1-CE 3.63Å; I178-M424 HydrophobicContact CG1-SD 4.31Å; M424-F426 HydrophobicContact CE-CD1 3.68Å; M424-F426 HydrophobicContact CE-CE1 3.68Å; M424-F426 HydrophobicContact SD-CE1 4.48Å; M424-M506 HydrophobicContact SD-CE 4.14Å; M424-M506 HydrophobicContact SD-SD 3.97Å; M424-I513 HydrophobicContact CB-CD1 4.18Å; M424-I513 HydrophobicContact CG-CD1 3.55Å; M424-I513 HydrophobicContact SD-CD1 3.71Å; M424-V514 PolarHBondContact N-O 3.06Å; M424-R515 HydrophobicContact CG-CG 3.85Å; M424-R515 WeakPolarHBondContact O-CA 3.44Å; M424-R515 HydrophobicContact SD-CG 4.21Å; M424-T516 PolarHBondContact O-N 3.49Å
425Q98.8Very high98.3Very high2 Ų27.4 Ų7.41%0.0094%0.036CC..EExtended strand (participates in β ladder)trans-116.9137.1168.7-50.1101.87.700112.3R177 S416 A417 M418 F427 T516 A518R177-Q425 HydrophobicContact CB-CB 4.14Å; R177-Q425 WeakPolarHBondContact CB-O 3.43Å; R177-Q425 PolarHBondContact O-N 3.16Å; R177-Q425 VanDerWaalsContact O-N 3.09Å; S416-Q425 PolarHBondContact O-NE2 3.47Å; A417-Q425 PolarHBondContact O-NE2 2.82Å; M418-Q425 HydrophobicContact CE-CG 4.49Å; M418-Q425 VanDerWaalsContact CE-NE2 3.31Å; Q425-F427 PolarHBondContact O-N 3.01Å; Q425-T516 WeakPolarHBondContact CB-OG1 3.43Å; Q425-T516 WeakPolarHBondContact CG-OG1 3.49Å; Q425-A518 HydrophobicContact CB-CB 3.92Å; Q425-A518 HydrophobicContact CG-CB 4.49Å
426F98.8Very high98.4Very high0 Ų07.4 Ų7.40%04%0.036CC..EExtended strand (participates in β ladder)trans-75.2100160.8-76.9-25.3000108.9M424 G428 H493 R515 T516 M517 A518 Y589 R590M424-F426 HydrophobicContact CE-CD1 3.68Å; M424-F426 HydrophobicContact CE-CE1 3.68Å; M424-F426 HydrophobicContact SD-CE1 4.48Å; F426-G428 PolarHBondContact O-N 3.47Å; F426-H493 HydrophobicContact CB-CB 4.5Å; F426-H493 HydrophobicContact CD1-CB 3.95Å; F426-H493 AromaticContact CD1-CG 3.77Å; F426-H493 AromaticContact CD1-ND1 3.73Å; F426-H493 HydrophobicContact CD2-CB 4.08Å; F426-H493 HydrophobicContact CE1-CB 4.16Å; F426-H493 HydrophobicContact CE2-CB 4.25Å; F426-H493 HydrophobicContact CG-CB 3.92Å; F426-H493 AromaticContact CG-CD2 3.89Å; F426-H493 AromaticContact CG-CG 3.58Å; F426-H493 AromaticContact CG-ND1 3.86Å; F426-H493 HydrophobicContact CZ-CB 4.28Å; F426-R515 HydrophobicContact CE2-CB 4.45Å; F426-T516 WeakPolarHBondContact CB-O 3.46Å; F426-T516 PolarHBondContact N-O 3.37Å; F426-M517 HydrophobicContact CB-SD 3.96Å; F426-M517 HydrophobicContact CD2-CE 4.1Å; F426-A518 WeakPolarHBondContact O-CB 3.37Å; F426-A518 PolarHBondContact O-N 2.89Å; F426-Y589 HydrophobicContact CD2-CD1 4.35Å; F426-Y589 AromaticContact CE2-CD1 3.55Å; F426-Y589 HydrophobicContact CE2-CD1 3.55Å; F426-Y589 AromaticContact CE2-CE1 3.91Å; F426-Y589 HydrophobicContact CE2-CE1 3.91Å; F426-Y589 AromaticContact CZ-CD1 3.84Å; F426-Y589 HydrophobicContact CZ-CD1 3.84Å; F426-Y589 AromaticContact CZ-CE1 3.7Å; F426-Y589 HydrophobicContact CZ-CE1 3.7Å; F426-R590 HydrophobicContact CE2-CB 4.28Å
427F98.4Very high98.4Very high8 Ų87.4 Ų7.44%0.0354%0.036CC..EExtended strand (participates in β ladder)trans-63123.5-176.3-177.6-130.5000112.6P170 Y173 R175 R177 A268 F323 Q425 A429 H493P170-F427 HydrophobicContact CB-CD1 4.17Å; P170-F427 HydrophobicContact CG-CB 4.46Å; P170-F427 HydrophobicContact CG-CD1 3.88Å; P170-F427 WeakPolarHBondContact CG-O 3.25Å; Y173-F427 HydrophobicContact CE2-CD1 4.36Å; Y173-F427 HydrophobicContact CE2-CE1 4.05Å; R175-F427 HydrophobicContact CB-CB 4.42Å; R175-F427 WeakPolarHBondContact O-CB 3.43Å; R175-F427 WeakPolarHBondContact O-CD1 3.48Å; R177-F427 HydrophobicContact CB-CB 4.11Å; R177-F427 HydrophobicContact CG-CB 3.58Å; R177-F427 HydrophobicContact CG-CD2 3.74Å; R177-F427 HydrophobicContact CG-CG 3.83Å; A268-F427 HydrophobicContact CB-CE1 4.4Å; F323-F427 HydrophobicContact CZ-CE1 4.44Å; Q425-F427 PolarHBondContact O-N 3.01Å; F427-A429 HydrophobicContact CE1-CB 4.19Å; F427-A429 HydrophobicContact CZ-CB 3.97Å; F427-H493 PolarHBondContact N-CE1 3.28Å; F427-H493 PolarHBondContact O-CE1 2.57Å; F427-H493 PolarHBondContact O-NE2 2.92Å
428G98Very high98.4Very high0 Ų07.5 Ų7.50%04%0.036CC..  trans-108.84.2-179.300000115.7L169 F426 R430 Y485 L489 A518L169-G428 WeakPolarHBondContact CD2-O 3.44Å; F426-G428 PolarHBondContact O-N 3.47Å; G428-R430 PolarHBondContact O-N 3.46Å; G428-Y485 WeakPolarHBondContact O-CE2 3.2Å; G428-Y485 VanDerWaalsContact O-CZ 3.31Å; G428-Y485 PolarHBondContact O-OH 2.95Å; G428-L489 VanDerWaalsContact CA-CD2 3.47Å; G428-A518 WeakPolarHBondContact CA-O 3.49Å; G428-A518 PolarHBondContact N-O 2.87Å
429A95.8Very high98.4Very high3 Ų37.5 Ų7.53%0.0254%0.036CC..  trans52.1-120.7-168.400000111.7G168 L169 F427 Y485 G520G168-A429 WeakPolarHBondContact O-CB 3.37Å; L169-A429 HydrophobicContact CD2-CB 4.08Å; F427-A429 HydrophobicContact CE1-CB 4.19Å; F427-A429 HydrophobicContact CZ-CB 3.97Å; A429-Y485 VanDerWaalsContact C-OH 3.29Å; A429-Y485 PolarHBondContact O-OH 2.88Å; A429-G520 WeakPolarHBondContact O-CA 3.3Å; A429-G520 PolarHBondContact O-N 2.76Å
430R98Very high98.4Very high4 Ų46 Ų62%0.0153%0.027CC..  trans-162.1149.7-175.749.7-66.6-155.8-163.3-3.2112.9G428 Y485 G520 A522 T600 S603 Y607G428-R430 PolarHBondContact O-N 3.46Å; R430-Y485 VanDerWaalsContact CA-OH 3.24Å; R430-Y485 WeakPolarHBondContact CA-OH 3.42Å; R430-Y485 PolarHBondContact N-OH 2.77Å; R430-G520 CarbonylContact C-O 3.46Å; R430-G520 WeakPolarHBondContact CA-O 3.43Å; R430-A522 HydrophobicContact CB-CB 4.49Å; R430-A522 HydrophobicContact CG-CB 4.13Å; R430-T600 PolarHBondContact NE-O 3.4Å; R430-T600 PolarHBondContact NH2-O 3.49Å; R430-S603 PolarHBondContact NE-OG 2.94Å; R430-S603 PolarHBondContact NH2-OG 2.98Å; R430-Y607 HydrophobicContact CG-CE2 4.12Å; R430-Y607 PolarHBondContact O-OH 3.12Å
431A98.5Very high98.4Very high0 Ų05.8 Ų5.80%03%0.026CC..EExtended strand (participates in β ladder)trans-99.9152.5173.100000112.2I166 L433 L481 Y485 G520 A522I166-A431 HydrophobicContact CG1-CB 4.25Å; A431-L433 PolarHBondContact O-N 3.3Å; A431-L481 HydrophobicContact CB-CD1 4.22Å; A431-L481 HydrophobicContact CB-CD2 3.97Å; A431-L481 HydrophobicContact CB-CG 4.22Å; A431-Y485 HydrophobicContact CB-CD1 3.79Å; A431-Y485 HydrophobicContact CB-CE1 3.77Å; A431-Y485 HydrophobicContact CB-CG 4.46Å; A431-G520 PolarHBondContact N-O 2.78Å; A431-A522 PolarHBondContact O-N 2.92Å
432N98.7Very high98.4Very high0 Ų06.4 Ų6.40%03%0.029CC..EExtended strand (participates in β ladder)trans-89.997.9-176.4-174.7-14.1000111.3G164 V165 A434 K435 T436 Y607 T611 F624G164-N432 PolarHBondContact O-ND2 3.2Å; G164-N432 VanDerWaalsContact O-ND2 3.09Å; V165-N432 WeakPolarHBondContact O-CB 3.19Å; V165-N432 PolarHBondContact O-N 3.21Å; N432-A434 PolarHBondContact OD1-N 3.28Å; N432-K435 HydrophobicContact CB-CB 4.17Å; N432-K435 VanDerWaalsContact CG-CB 3.41Å; N432-K435 VanDerWaalsContact ND2-CB 3.26Å; N432-K435 WeakPolarHBondContact ND2-CB 3.46Å; N432-K435 PolarHBondContact OD1-N 3.22Å; N432-T436 PolarHBondContact O-N 3.22Å; N432-T436 PolarHBondContact O-OG1 3.11Å; N432-Y607 HydrophobicContact CB-CD1 3.71Å; N432-Y607 HydrophobicContact CB-CD2 4.19Å; N432-Y607 HydrophobicContact CB-CE1 3.74Å; N432-Y607 HydrophobicContact CB-CE2 4.2Å; N432-Y607 HydrophobicContact CB-CG 3.95Å; N432-Y607 WeakPolarHBondContact ND2-CD1 3.38Å; N432-T611 PolarHBondContact ND2-OG1 3.17Å; N432-F624 VanDerWaalsContact OD1-CE2 3.32Å; N432-F624 WeakPolarHBondContact OD1-CE2 3.47Å
433L98.5Very high98.4Very high1 Ų12.4 Ų2.41%0.0051%0.013CC..Hα-helixtrans-71.2-34.6-177-167.660000112A431 T436 L437 F474 M478 I521 A522 L524 A527 L575A431-L433 PolarHBondContact O-N 3.3Å; L433-T436 WeakPolarHBondContact O-CB 3.34Å; L433-T436 PolarHBondContact O-N 2.96Å; L433-L437 PolarHBondContact O-N 3.4Å; L433-L437 VanDerWaalsContact O-N 3.14Å; L433-F474 HydrophobicContact CD1-CE2 4.07Å; L433-F474 HydrophobicContact CD1-CZ 3.64Å; L433-F474 HydrophobicContact CG-CZ 3.89Å; L433-M478 HydrophobicContact CD1-CG 4.12Å; L433-M478 HydrophobicContact CD1-SD 3.85Å; L433-I521 HydrophobicContact CD2-CD1 4.22Å; L433-A522 WeakPolarHBondContact CB-O 3.29Å; L433-A522 PolarHBondContact N-O 2.93Å; L433-L524 HydrophobicContact CD2-CD1 4.28Å; L433-A527 HydrophobicContact CD2-CB 4.26Å; L433-A527 HydrophobicContact CG-CB 4.15Å; L433-L575 HydrophobicContact CD2-CB 4.45Å; L433-L575 HydrophobicContact CD2-CD1 4.35Å
434A98.7Very high98.4Very high1 Ų11.8 Ų1.81%0.0081%0.01CC..Hα-helixtrans-66.9-44178.200000112.7N432 T436 L437 L438 V526 F624N432-A434 PolarHBondContact OD1-N 3.28Å; A434-T436 VanDerWaalsContact C-N 3.27Å; A434-T436 PolarHBondContact O-N 3.22Å; A434-L437 WeakPolarHBondContact O-CB 3.46Å; A434-L437 PolarHBondContact O-N 3.44Å; A434-L438 PolarHBondContact O-N 3.31Å; A434-V526 HydrophobicContact CB-CB 4Å; A434-V526 HydrophobicContact CB-CG1 3.67Å; A434-F624 HydrophobicContact CB-CE1 4.11Å; A434-F624 HydrophobicContact CB-CE2 4.05Å; A434-F624 HydrophobicContact CB-CZ 3.6Å
435K98.7Very high98.3Very high0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-66.2-32.9174.1179.1174.8-78.8-73.50111.9A163 V165 N432 L437 L438 Y439 D446 E447 K610 T611A163-K435 WeakPolarHBondContact O-CE 3.32Å; V165-K435 HydrophobicContact CB-CD 3.94Å; V165-K435 HydrophobicContact CB-CG 4.41Å; V165-K435 HydrophobicContact CG2-CD 4.47Å; V165-K435 HydrophobicContact CG2-CG 4.43Å; N432-K435 HydrophobicContact CB-CB 4.17Å; N432-K435 VanDerWaalsContact CG-CB 3.41Å; N432-K435 VanDerWaalsContact ND2-CB 3.26Å; N432-K435 WeakPolarHBondContact ND2-CB 3.46Å; N432-K435 PolarHBondContact OD1-N 3.22Å; K435-L437 VanDerWaalsContact C-N 3.27Å; K435-L437 PolarHBondContact O-N 2.95Å; K435-L438 WeakPolarHBondContact O-CB 3.41Å; K435-L438 PolarHBondContact O-N 3.49Å; K435-L438 VanDerWaalsContact O-N 3.1Å; K435-Y439 HydrophobicContact CD-CE1 3.84Å; K435-Y439 HydrophobicContact CG-CD1 3.89Å; K435-Y439 HydrophobicContact CG-CE1 3.45Å; K435-Y439 VanDerWaalsContact CG-CE1 3.45Å; K435-Y439 VanDerWaalsContact O-CD1 3.31Å; K435-Y439 WeakPolarHBondContact O-CD1 3.29Å; K435-Y439 PolarHBondContact O-N 2.9Å; K435-D446 IonicContact NZ-OD2 3.45Å; K435-D446 PolarHBondContact NZ-OD2 3.24Å; K435-E447 IonicContact NZ-OE1 2.77Å; K435-E447 PolarHBondContact NZ-OE1 3.17Å; K435-E447 IonicContact NZ-OE2 2.93Å; K435-E447 PolarHBondContact NZ-OE2 2.93Å; K435-K610 WeakPolarHBondContact CE-O 3.04Å; K435-K610 PolarHBondContact NZ-O 3.43Å; K435-T611 HydrophobicContact CB-CG2 4.3Å
436T98.8Very high98.3Very high0 Ų06 Ų60%03%0.028CC..Hα-helixtrans-60.8-37.7174.4-57.70000111.3N432 L433 A434 Y439 A440 F474 M477 M478 L481N432-T436 PolarHBondContact O-N 3.22Å; N432-T436 PolarHBondContact O-OG1 3.11Å; L433-T436 WeakPolarHBondContact O-CB 3.34Å; L433-T436 PolarHBondContact O-N 2.96Å; A434-T436 VanDerWaalsContact C-N 3.27Å; A434-T436 PolarHBondContact O-N 3.22Å; T436-Y439 PolarHBondContact O-N 3.46Å; T436-A440 PolarHBondContact O-N 3.38Å; T436-F474 HydrophobicContact CG2-CD2 4.15Å; T436-F474 HydrophobicContact CG2-CE2 3.72Å; T436-M477 HydrophobicContact CG2-CB 4Å; T436-M477 HydrophobicContact CG2-CG 3.51Å; T436-M477 WeakPolarHBondContact O-CG 3.3Å; T436-M478 HydrophobicContact CG2-CG 4.31Å; T436-L481 HydrophobicContact CG2-CB 4.28Å; T436-L481 HydrophobicContact CG2-CD2 4Å; T436-L481 WeakPolarHBondContact OG1-CD2 3.48Å
437L98.8Very high98.3Very high0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-63.4-43.1171.5177.262.8000112L433 A434 K435 Y439 A440 I441 V470 F474 S530 L531 P615L433-L437 PolarHBondContact O-N 3.4Å; L433-L437 VanDerWaalsContact O-N 3.14Å; A434-L437 WeakPolarHBondContact O-CB 3.46Å; A434-L437 PolarHBondContact O-N 3.44Å; K435-L437 VanDerWaalsContact C-N 3.27Å; K435-L437 PolarHBondContact O-N 2.95Å; L437-Y439 VanDerWaalsContact C-N 3.3Å; L437-Y439 PolarHBondContact O-N 2.88Å; L437-A440 WeakPolarHBondContact O-CB 3.33Å; L437-A440 PolarHBondContact O-N 3.26Å; L437-A440 VanDerWaalsContact O-N 3.15Å; L437-I441 HydrophobicContact CG-CD1 4.48Å; L437-I441 WeakPolarHBondContact O-CG1 3.38Å; L437-I441 PolarHBondContact O-N 3.28Å; L437-I441 VanDerWaalsContact O-N 3.14Å; L437-V470 HydrophobicContact CD1-CG1 3.64Å; L437-F474 HydrophobicContact CB-CD2 4.04Å; L437-F474 HydrophobicContact CB-CE1 4.35Å; L437-F474 HydrophobicContact CB-CE2 3.83Å; L437-F474 HydrophobicContact CB-CG 4.42Å; L437-F474 HydrophobicContact CB-CZ 3.98Å; L437-F474 HydrophobicContact CD1-CB 4Å; L437-F474 HydrophobicContact CD1-CD1 3.84Å; L437-F474 HydrophobicContact CD1-CD2 4.18Å; L437-F474 HydrophobicContact CD1-CE1 4.3Å; L437-F474 HydrophobicContact CD1-CG 3.75Å; L437-F474 VanDerWaalsContact N-CE2 3.31Å; L437-S530 VanDerWaalsContact CD2-CB 3.46Å; L437-L531 HydrophobicContact CD1-CD2 4.28Å; L437-P615 HydrophobicContact CD2-CG 4.47Å
438L98.8Very high98.2Very high2 Ų212 Ų121%0.016%0.055CC..Hα-helixtrans-63.2-37.7175.9-61.9-175.9000112.1A434 K435 A440 I441 N442 E447 F552 T611 T614A434-L438 PolarHBondContact O-N 3.31Å; K435-L438 WeakPolarHBondContact O-CB 3.41Å; K435-L438 PolarHBondContact O-N 3.49Å; K435-L438 VanDerWaalsContact O-N 3.1Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 2.93Å; L438-I441 HydrophobicContact CD2-CD1 4.5Å; L438-I441 PolarHBondContact O-N 3.47Å; L438-N442 WeakPolarHBondContact O-CB 3.37Å; L438-N442 PolarHBondContact O-N 3.05Å; L438-E447 HydrophobicContact CD1-CG 3.83Å; L438-F552 HydrophobicContact CD2-CE2 3.93Å; L438-F552 HydrophobicContact CD2-CZ 3.95Å; L438-T611 HydrophobicContact CD1-CG2 3.74Å; L438-T614 HydrophobicContact CD1-CG2 3.96Å; L438-T614 HydrophobicContact CD2-CG2 4.03Å; L438-T614 HydrophobicContact CG-CG2 4.09Å
439Y98.6Very high98.1Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-64.9-36.6175.6-77.521.6000110.9A163 V165 K435 T436 L437 I441 N442 G443 G444 D446 V453 W480A163-Y439 WeakPolarHBondContact CB-OH 3.25Å; V165-Y439 HydrophobicContact CB-CE2 4.21Å; V165-Y439 HydrophobicContact CG1-CE2 4.28Å; V165-Y439 HydrophobicContact CG2-CE2 4.32Å; K435-Y439 HydrophobicContact CD-CE1 3.84Å; K435-Y439 HydrophobicContact CG-CD1 3.89Å; K435-Y439 HydrophobicContact CG-CE1 3.45Å; K435-Y439 VanDerWaalsContact CG-CE1 3.45Å; K435-Y439 VanDerWaalsContact O-CD1 3.31Å; K435-Y439 WeakPolarHBondContact O-CD1 3.29Å; K435-Y439 PolarHBondContact O-N 2.9Å; T436-Y439 PolarHBondContact O-N 3.46Å; L437-Y439 VanDerWaalsContact C-N 3.3Å; L437-Y439 PolarHBondContact O-N 2.88Å; Y439-I441 VanDerWaalsContact C-N 3.32Å; Y439-I441 PolarHBondContact O-N 3.22Å; Y439-N442 CarbonylContact O-C 3.6Å; Y439-N442 PolarHBondContact O-N 3.37Å; Y439-G443 PolarHBondContact O-N 3.4Å; Y439-G444 PolarHBondContact O-N 3.46Å; Y439-D446 VanDerWaalsContact CE1-CA 3.47Å; Y439-D446 HydrophobicContact CE1-CB 3.91Å; Y439-D446 WeakPolarHBondContact OH-CB 3.46Å; Y439-D446 PolarHBondContact OH-OD2 3.03Å; Y439-V453 HydrophobicContact CE2-CB 3.7Å; Y439-V453 HydrophobicContact CE2-CG1 3.79Å; Y439-W480 HydrophobicContact CD2-CH2 4.27Å; Y439-W480 HydrophobicContact CD2-CZ3 4.12Å; Y439-W480 HydrophobicContact CE2-CH2 4.24Å; Y439-W480 HydrophobicContact CE2-CZ3 4.48Å
440A98.5Very high98.1Very high0 Ų017.4 Ų17.40%010%0.098CC..Hα-helixtrans-62.2-39.7174.400000112.7T436 L437 L438 K473 F474 M477T436-A440 PolarHBondContact O-N 3.38Å; L437-A440 WeakPolarHBondContact O-CB 3.33Å; L437-A440 PolarHBondContact O-N 3.26Å; L437-A440 VanDerWaalsContact O-N 3.15Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 2.93Å; A440-K473 HydrophobicContact CB-CB 4.05Å; A440-F474 VanDerWaalsContact CB-CA 3.49Å; A440-F474 HydrophobicContact CB-CB 3.97Å; A440-F474 HydrophobicContact CB-CD2 4.4Å; A440-M477 HydrophobicContact CB-CB 4.16Å
441I98.6Very high98.1Very high0 Ų019.4 Ų19.40%012%0.115CC..Hα-helixtrans-68.9-41.7175.9-64168.9000110.9L437 L438 Y439 G459 I460 L465 V470 V549 F552 P615L437-I441 HydrophobicContact CG-CD1 4.48Å; L437-I441 WeakPolarHBondContact O-CG1 3.38Å; L437-I441 PolarHBondContact O-N 3.28Å; L437-I441 VanDerWaalsContact O-N 3.14Å; L438-I441 HydrophobicContact CD2-CD1 4.5Å; L438-I441 PolarHBondContact O-N 3.47Å; Y439-I441 VanDerWaalsContact C-N 3.32Å; Y439-I441 PolarHBondContact O-N 3.22Å; I441-G459 CarbonylContact O-C 3.57Å; I441-G459 VanDerWaalsContact O-CA 3.27Å; I441-G459 WeakPolarHBondContact O-CA 3.48Å; I441-I460 HydrophobicContact CB-CD1 4.44Å; I441-I460 HydrophobicContact CG1-CD1 4.04Å; I441-I460 PolarHBondContact O-N 3.24Å; I441-L465 HydrophobicContact CD1-CD1 4.17Å; I441-V470 HydrophobicContact CG1-CG1 4.41Å; I441-V549 HydrophobicContact CG2-CB 4.07Å; I441-V549 HydrophobicContact CG2-CG1 4.35Å; I441-V549 HydrophobicContact CG2-CG2 3.81Å; I441-F552 HydrophobicContact CD1-CE1 4.14Å; I441-F552 HydrophobicContact CD1-CZ 3.99Å; I441-P615 HydrophobicContact CD1-CG 3.99Å
442N98.4Very high98.1Very high13 Ų1322.8 Ų22.87%0.0713%0.131CC..THydrogen-bonded Turntrans-93.812.7-173.2-78.6-36.5000115.2L438 Y439 G444 K445 L548 V549L438-N442 WeakPolarHBondContact O-CB 3.37Å; L438-N442 PolarHBondContact O-N 3.05Å; Y439-N442 CarbonylContact O-C 3.6Å; Y439-N442 PolarHBondContact O-N 3.37Å; N442-G444 PolarHBondContact O-N 3.25Å; N442-K445 HydrophobicContact CB-CB 4.42Å; N442-K445 PolarHBondContact O-N 3.39Å; N442-L548 HydrophobicContact CB-CD1 3.72Å; N442-L548 VanDerWaalsContact CG-CD1 3.46Å; N442-V549 PolarHBondContact ND2-O 3.5Å; N442-V549 VanDerWaalsContact OD1-CB 3.29Å; N442-V549 WeakPolarHBondContact OD1-CB 3.48Å; N442-V549 PolarHBondContact OD1-N 2.97Å
443G97.7Very high98.1Very high2 Ų223.5 Ų23.52%0.02114%0.136CC..THydrogen-bonded Turntrans67.435.7176.500000114.1Y439 K445 Q452 F457Y439-G443 PolarHBondContact O-N 3.4Å; G443-K445 VanDerWaalsContact C-N 3.31Å; G443-K445 PolarHBondContact O-N 2.99Å; G443-Q452 PolarHBondContact O-NE2 3.37Å; G443-F457 WeakPolarHBondContact CA-O 3.16Å
444G98.1Very high98Very high0 Ų023.8 Ų23.80%014%0.138CC..THydrogen-bonded Turntrans813-178.100000115Y439 N442 Q452 V453 G454Y439-G444 PolarHBondContact O-N 3.46Å; N442-G444 PolarHBondContact O-N 3.25Å; G444-Q452 VanDerWaalsContact C-NE2 3.27Å; G444-Q452 PolarHBondContact O-NE2 2.7Å; G444-V453 PolarHBondContact O-N 2.85Å; G444-G454 PolarHBondContact O-N 3.31Å
445K98.3Very high98Very high86 Ų8626.2 Ų26.237%0.37415%0.154SC..BIsolated β-bridgetrans-83.7140.6175.1-64.9-178.5-177.8176.90111.8N442 G443 A451 L548N442-K445 HydrophobicContact CB-CB 4.42Å; N442-K445 PolarHBondContact O-N 3.39Å; G443-K445 VanDerWaalsContact C-N 3.31Å; G443-K445 PolarHBondContact O-N 2.99Å; K445-A451 WeakPolarHBondContact CA-O 3.42Å; K445-L548 HydrophobicContact CB-CD1 3.82Å; K445-L548 HydrophobicContact CD-CD1 4.34Å
446D98.3Very high97.9Very high5 Ų532.6 Ų32.63%0.02719%0.189CC..  trans-73.1125.9172.9-178.4-102.6000111.1K435 Y439 K448 S449 G450 A451 V453K435-D446 IonicContact NZ-OD2 3.45Å; K435-D446 PolarHBondContact NZ-OD2 3.24Å; Y439-D446 VanDerWaalsContact CE1-CA 3.47Å; Y439-D446 HydrophobicContact CE1-CB 3.91Å; Y439-D446 WeakPolarHBondContact OH-CB 3.46Å; Y439-D446 PolarHBondContact OH-OD2 3.03Å; D446-K448 PolarHBondContact O-N 3.38Å; D446-K448 PolarHBondContact OD1-N 3.41Å; D446-S449 WeakPolarHBondContact CB-OG 3.26Å; D446-S449 WeakPolarHBondContact OD1-CB 3.4Å; D446-S449 PolarHBondContact OD1-N 2.72Å; D446-S449 PolarHBondContact OD1-OG 3.38Å; D446-G450 VanDerWaalsContact O-CA 3.28Å; D446-G450 WeakPolarHBondContact O-CA 3.48Å; D446-G450 PolarHBondContact O-N 2.8Å; D446-A451 PolarHBondContact N-O 3.25Å; D446-V453 HydrophobicContact CB-CG2 3.98Å
447E97.5Very high97.7Very high13 Ų1335 Ų356%0.06120%0.199CC..THydrogen-bonded Turntrans-67.8-20.2-173.578.1-70.9173.900113.5K435 L438 T611 G612K435-E447 IonicContact NZ-OE1 2.77Å; K435-E447 PolarHBondContact NZ-OE1 3.17Å; K435-E447 IonicContact NZ-OE2 2.93Å; K435-E447 PolarHBondContact NZ-OE2 2.93Å; L438-E447 HydrophobicContact CD1-CG 3.83Å; E447-T611 WeakPolarHBondContact OE1-CA 3.46Å; E447-G612 PolarHBondContact OE1-N 3.44Å
448K96.9Very high97.4Very high122 Ų12241.5 Ų41.553%0.5323%0.23SC..THydrogen-bonded Turntrans-94.8-39.9-179.2-63.2-167.370.3156.90112.7D446 K609 K610D446-K448 PolarHBondContact O-N 3.38Å; D446-K448 PolarHBondContact OD1-N 3.41Å; K448-K609 PolarHBondContact NZ-O 2.84Å; K448-K610 VanDerWaalsContact CD-O 3.29Å; K448-K610 WeakPolarHBondContact CD-O 3.34Å
449S96.4Very high97.2Very high79 Ų7942.2 Ų42.255%0.55224%0.237SC*.THydrogen-bonded Turntrans-102-15.2-175620000114.3D446 A451D446-S449 WeakPolarHBondContact CB-OG 3.26Å; D446-S449 WeakPolarHBondContact OD1-CB 3.4Å; D446-S449 PolarHBondContact OD1-N 2.72Å; D446-S449 PolarHBondContact OD1-OG 3.38Å; S449-A451 PolarHBondContact O-N 2.91Å; S449-A451 PolarHBondContact OG-N 3.4Å
450G96.4Very high97Very high38 Ų3842.2 Ų42.239%0.39224%0.237SC..  trans69.70-172.400000114.2D446D446-G450 VanDerWaalsContact O-CA 3.28Å; D446-G450 WeakPolarHBondContact O-CA 3.48Å; D446-G450 PolarHBondContact O-N 2.8Å
451A97.3Very high96.7Very high45 Ų4547.1 Ų47.137%0.37226%0.264SS..  trans-72.3141.6-177.800000111.3K445 D446 S449 V453K445-A451 WeakPolarHBondContact CA-O 3.42Å; D446-A451 PolarHBondContact N-O 3.25Å; S449-A451 PolarHBondContact O-N 2.91Å; S449-A451 PolarHBondContact OG-N 3.4Å; A451-V453 HydrophobicContact CB-CG2 4.37Å; A451-V453 PolarHBondContact O-N 2.86Å
452Q97.8Very high96.5Very high71 Ų7149 Ų4933%0.33228%0.277SS..BIsolated β-bridgetrans-72.7110.3168.6-16870.247.400108.9G443 G444 G454 P455 N456G443-Q452 PolarHBondContact O-NE2 3.37Å; G444-Q452 VanDerWaalsContact C-NE2 3.27Å; G444-Q452 PolarHBondContact O-NE2 2.7Å; Q452-G454 PolarHBondContact NE2-O 2.9Å; Q452-P455 PolarHBondContact NE2-O 3.47Å; Q452-N456 HydrophobicContact CG-CB 4.46Å
453V98.4Very high96.3Very high16 Ų1656.8 Ų56.810%0.09731%0.313CS..  trans-110.4-53-178.8179.60000110.2N159 A163 V165 Y439 G444 D446 A451 W480N159-V453 HydrophobicContact CB-CG1 4.43Å; A163-V453 HydrophobicContact CB-CG1 4.07Å; A163-V453 HydrophobicContact CB-CG2 3.88Å; V165-V453 HydrophobicContact CG1-CG1 4.49Å; Y439-V453 HydrophobicContact CE2-CB 3.7Å; Y439-V453 HydrophobicContact CE2-CG1 3.79Å; G444-V453 PolarHBondContact O-N 2.85Å; D446-V453 HydrophobicContact CB-CG2 3.98Å; A451-V453 HydrophobicContact CB-CG2 4.37Å; A451-V453 PolarHBondContact O-N 2.86Å; V453-W480 HydrophobicContact CG1-CH2 4.38Å
454G97.9Very high96.3Very high6 Ų658.7 Ų58.76%0.06232%0.324CS..SBendtrans-81.4-179.7172.700000112.9G444 Q452G444-G454 PolarHBondContact O-N 3.31Å; Q452-G454 PolarHBondContact NE2-O 2.9Å
455P97.6Very high96.3Very high53 Ų5358.9 Ų58.934%0.34433%0.325SS..  trans-56.8140.2178.1-23.134.4000111.2Q452 F457 W480Q452-P455 PolarHBondContact NE2-O 3.47Å; P455-F457 HydrophobicContact CB-CD1 4.4Å; P455-F457 WeakPolarHBondContact O-CD1 3.44Å; P455-F457 PolarHBondContact O-N 3.44Å; P455-W480 VanDerWaalsContact CD-CG 3.44Å; P455-W480 HydrophobicContact CG-CB 3.86Å; P455-W480 VanDerWaalsContact CG-CD1 3.44Å; P455-W480 HydrophobicContact CG-CD2 4.25Å; P455-W480 HydrophobicContact CG-CG 3.55Å
456N96.7Very high96.3Very high134 Ų13460.4 Ų60.472%0.71733%0.333SS*.  trans-78.6115178.1-178.514.6000110.1Q452Q452-N456 HydrophobicContact CG-CB 4.46Å
457F94.5Very high96.3Very high49 Ų4962 Ų6222%0.21534%0.339CS..  trans-146.4169.516958.4-99.8000110G443 P455 G459 K473 M477G443-F457 WeakPolarHBondContact CA-O 3.16Å; P455-F457 HydrophobicContact CB-CD1 4.4Å; P455-F457 WeakPolarHBondContact O-CD1 3.44Å; P455-F457 PolarHBondContact O-N 3.44Å; F457-G459 PolarHBondContact O-N 3.26Å; F457-K473 HydrophobicContact CE2-CB 4.32Å; F457-K473 HydrophobicContact CE2-CD 4.31Å; F457-K473 HydrophobicContact CE2-CG 4.34Å; F457-M477 HydrophobicContact CD1-CE 4.47Å; F457-M477 HydrophobicContact CE1-CE 3.23Å; F457-M477 HydrophobicContact CZ-CE 3.34Å
458E93.9Very high96.3Very high138 Ų13867.6 Ų67.665%0.64537%0.37SS*.  trans-63122.4179.7-167-176.517500110.9N461 K473E458-N461 PolarHBondContact OE1-ND2 3.25Å; E458-K473 PolarHBondContact O-NZ 2.92Å
459G93.4Very high96.4Very high17 Ų1764.8 Ų64.818%0.17536%0.358CS..  trans-62.9177.4171.100000112.3I441 F457I441-G459 CarbonylContact O-C 3.57Å; I441-G459 VanDerWaalsContact O-CA 3.27Å; I441-G459 WeakPolarHBondContact O-CA 3.48Å; F457-G459 PolarHBondContact O-N 3.26Å
460I95.1Very high96.5Very high0 Ų061 Ų610%033%0.332CS..  trans-79.1130.7173.6-60.8177.3000108.1I441 L465 V470 K473 R543I441-I460 HydrophobicContact CB-CD1 4.44Å; I441-I460 HydrophobicContact CG1-CD1 4.04Å; I441-I460 PolarHBondContact O-N 3.24Å; I460-L465 HydrophobicContact CB-CD2 4.35Å; I460-L465 HydrophobicContact CD1-CD2 4.14Å; I460-L465 HydrophobicContact CG2-CD2 3.73Å; I460-V470 HydrophobicContact CD1-CB 4.03Å; I460-V470 HydrophobicContact CD1-CG1 4.48Å; I460-V470 HydrophobicContact CD1-CG2 3.37Å; I460-K473 HydrophobicContact CD1-CD 4.18Å; I460-K473 HydrophobicContact CG1-CD 3.59Å; I460-R543 PolarHBondContact O-NH1 3.42Å; I460-R543 PolarHBondContact O-NH2 3.26Å
461N92.7Very high96.6Very high103 Ų10360.3 Ų60.355%0.55132%0.318SS*.  trans-110.4-8-178.8-69.1-38.9000113.4E458E458-N461 PolarHBondContact OE1-ND2 3.25Å
462S92.8Very high96.6Very high40 Ų4065 Ų6528%0.2833%0.33SS..  trans-59141.6178.9-51.20000112V464 E469S462-V464 VanDerWaalsContact C-N 3.32Å; S462-V464 WeakPolarHBondContact CB-O 2.99Å; S462-E469 PolarHBondContact OG-OE2 3.17Å
463E94.8Very high96.6Very high176 Ų17663.1 Ų63.182%0.82232%0.321SS*.SBendtrans-69-33176.5-70.9-171.2169.300112.1K540 P541E463-K540 WeakPolarHBondContact O-CA 3.36Å; E463-P541 WeakPolarHBondContact O-CD 3.44Å
464V97.7Very high96.6Very high42 Ų4262.4 Ų62.426%0.25532%0.316SS..SBendtrans-117.7134.5170.8-177.70000106.9S462 E466 Q538 K540S462-V464 VanDerWaalsContact C-N 3.32Å; S462-V464 WeakPolarHBondContact CB-O 2.99Å; V464-E466 PolarHBondContact O-N 3.36Å; V464-Q538 HydrophobicContact CG1-CB 4.29Å; V464-K540 HydrophobicContact CG2-CG 4.06Å
465L98.3Very high96.7Very high3 Ų363.7 Ų63.72%0.01632%0.322CS..  trans-68.8126.9175.7-67.7-176.4000110.2I441 I460 V470 I534 V539 P541 F552 P615I441-L465 HydrophobicContact CD1-CD1 4.17Å; I460-L465 HydrophobicContact CB-CD2 4.35Å; I460-L465 HydrophobicContact CD1-CD2 4.14Å; I460-L465 HydrophobicContact CG2-CD2 3.73Å; L465-V470 HydrophobicContact CB-CG2 3.99Å; L465-V470 HydrophobicContact CD1-CG2 4.4Å; L465-V470 HydrophobicContact CD2-CG2 4.04Å; L465-V470 HydrophobicContact CG-CG2 4.37Å; L465-I534 HydrophobicContact CB-CD1 4.44Å; L465-I534 HydrophobicContact CB-CG1 4.11Å; L465-I534 HydrophobicContact CB-CG2 3.9Å; L465-I534 HydrophobicContact CD1-CD1 3.75Å; L465-I534 HydrophobicContact CD1-CG1 3.92Å; L465-V539 HydrophobicContact CB-CB 4.47Å; L465-V539 HydrophobicContact CD1-CB 4.39Å; L465-V539 HydrophobicContact CD1-CG1 3.99Å; L465-V539 PolarHBondContact N-O 3.48Å; L465-P541 HydrophobicContact CD1-CG 4.33Å; L465-P541 HydrophobicContact CD2-CG 3.47Å; L465-P541 VanDerWaalsContact CD2-CG 3.47Å; L465-P541 HydrophobicContact CG-CG 3.65Å; L465-F552 HydrophobicContact CD1-CD1 4.16Å; L465-F552 HydrophobicContact CD1-CE1 3.89Å; L465-P615 HydrophobicContact CD1-CG 4.5Å
466E98.1Very high96.7Very high119 Ų11965.8 Ų65.856%0.55633%0.327SS*.  trans-98.6129.1173.7-68.2-64.414700110V464 D468 E469 V470V464-E466 PolarHBondContact O-N 3.36Å; E466-D468 PolarHBondContact O-N 3.06Å; E466-E469 HydrophobicContact CB-CB 4.29Å; E466-E469 PolarHBondContact O-N 2.85Å; E466-V470 WeakPolarHBondContact O-CG2 3.49Å; E466-V470 PolarHBondContact O-N 2.81Å
467Y98.4Very high96.7Very high38 Ų3859.4 Ų59.415%0.14929%0.293CS..Hα-helixtrans-53.4-50.5-173.2176.8-91.1000113E469 V470 F471 L531 K535 I571Y467-E469 VanDerWaalsContact C-N 3.31Å; Y467-E469 PolarHBondContact O-N 2.66Å; Y467-V470 PolarHBondContact O-N 3.08Å; Y467-F471 HydrophobicContact CE1-CB 4.33Å; Y467-F471 HydrophobicContact CE1-CG 4.49Å; Y467-F471 WeakPolarHBondContact O-CB 3.35Å; Y467-F471 PolarHBondContact O-N 3.08Å; Y467-L531 HydrophobicContact CE2-CB 4.08Å; Y467-L531 HydrophobicContact CE2-CD2 4.28Å; Y467-K535 HydrophobicContact CD1-CD 4.45Å; Y467-K535 HydrophobicContact CD2-CB 3.61Å; Y467-K535 HydrophobicContact CD2-CD 3.87Å; Y467-K535 HydrophobicContact CD2-CG 3.95Å; Y467-K535 HydrophobicContact CE1-CD 4.45Å; Y467-K535 HydrophobicContact CE2-CB 4.18Å; Y467-K535 HydrophobicContact CE2-CD 3.79Å; Y467-K535 HydrophobicContact CE2-CG 4.38Å; Y467-K535 HydrophobicContact CG-CB 4.13Å; Y467-K535 HydrophobicContact CG-CD 4.19Å; Y467-K535 HydrophobicContact CG-CG 4.1Å; Y467-I571 HydrophobicContact CE2-CD1 4.44Å
468D98Very high96.9Very high131 Ų13157.1 Ų57.170%0.70128%0.283SS*.Hα-helixtrans-65.8-34.6-175.8-69.5-25.6000112.3E466 K472E466-D468 PolarHBondContact O-N 3.06Å; D468-K472 VanDerWaalsContact O-CB 3.25Å; D468-K472 WeakPolarHBondContact O-CB 3.25Å; D468-K472 PolarHBondContact O-N 2.88Å; D468-K472 VanDerWaalsContact O-N 3.1Å
469E98Very high97.2Very high63 Ų6353.8 Ų53.829%0.29427%0.269SS..Hα-helixtrans-68.5-49.8176.6-173.6-174-17400110.8S462 E466 Y467 K472 K473S462-E469 PolarHBondContact OG-OE2 3.17Å; E466-E469 HydrophobicContact CB-CB 4.29Å; E466-E469 PolarHBondContact O-N 2.85Å; Y467-E469 VanDerWaalsContact C-N 3.31Å; Y467-E469 PolarHBondContact O-N 2.66Å; E469-K472 PolarHBondContact O-N 2.86Å; E469-K473 PolarHBondContact O-N 3.27Å
470V98.6Very high97.4Very high0 Ų054.2 Ų54.20%027%0.266CS..Hα-helixtrans-60-50.4178.81750000110.1L437 I441 I460 L465 E466 Y467 K472 K473 F474 L531 I534L437-V470 HydrophobicContact CD1-CG1 3.64Å; I441-V470 HydrophobicContact CG1-CG1 4.41Å; I460-V470 HydrophobicContact CD1-CB 4.03Å; I460-V470 HydrophobicContact CD1-CG1 4.48Å; I460-V470 HydrophobicContact CD1-CG2 3.37Å; L465-V470 HydrophobicContact CB-CG2 3.99Å; L465-V470 HydrophobicContact CD1-CG2 4.4Å; L465-V470 HydrophobicContact CD2-CG2 4.04Å; L465-V470 HydrophobicContact CG-CG2 4.37Å; E466-V470 WeakPolarHBondContact O-CG2 3.49Å; E466-V470 PolarHBondContact O-N 2.81Å; Y467-V470 PolarHBondContact O-N 3.08Å; V470-K472 VanDerWaalsContact C-N 3.34Å; V470-K472 PolarHBondContact O-N 3.27Å; V470-K473 PolarHBondContact O-N 2.89Å; V470-F474 WeakPolarHBondContact O-CB 3.39Å; V470-F474 PolarHBondContact O-N 2.76Å; V470-L531 HydrophobicContact CG1-CD2 4.27Å; V470-I534 HydrophobicContact CB-CD1 4.49Å; V470-I534 HydrophobicContact CG1-CD1 4Å; V470-I534 HydrophobicContact CG2-CD1 4.21Å; V470-I534 HydrophobicContact CG2-CG2 4.3Å
471F98.3Very high97.6Very high22 Ų2254.3 Ų54.310%0.09627%0.266CS..Hα-helixtrans-63.7-40-175.4-168.7-92.6000111.7Y467 K473 F474 D475 L531 D574 L575Y467-F471 HydrophobicContact CE1-CB 4.33Å; Y467-F471 HydrophobicContact CE1-CG 4.49Å; Y467-F471 WeakPolarHBondContact O-CB 3.35Å; Y467-F471 PolarHBondContact O-N 3.08Å; F471-K473 PolarHBondContact O-N 2.86Å; F471-F474 PolarHBondContact O-N 3.01Å; F471-D475 WeakPolarHBondContact O-CB 3.36Å; F471-D475 PolarHBondContact O-N 3.44Å; F471-L531 HydrophobicContact CD2-CD1 3.87Å; F471-L531 HydrophobicContact CD2-CD2 4.09Å; F471-L531 HydrophobicContact CE2-CD1 4.01Å; F471-D574 WeakPolarHBondContact CZ-OD2 3.3Å; F471-L575 HydrophobicContact CE2-CD2 4.12Å
472K97.9Very high97.9Very high143 Ų14349.4 Ų49.462%0.62224%0.24SC*.Hα-helixtrans-59.7-45.3175.6-179.2179.3178.2-178.70112.4D468 E469 V470 F474 Q476D468-K472 VanDerWaalsContact O-CB 3.25Å; D468-K472 WeakPolarHBondContact O-CB 3.25Å; D468-K472 PolarHBondContact O-N 2.88Å; D468-K472 VanDerWaalsContact O-N 3.1Å; E469-K472 PolarHBondContact O-N 2.86Å; V470-K472 VanDerWaalsContact C-N 3.34Å; V470-K472 PolarHBondContact O-N 3.27Å; K472-F474 VanDerWaalsContact C-N 3.31Å; K472-Q476 WeakPolarHBondContact O-CG 3.28Å; K472-Q476 PolarHBondContact O-N 3.12Å
473K98.3Very high98.2Very high33 Ų3347.9 Ų47.914%0.14323%0.231CC..Hα-helixtrans-68.9-34176.6-68.6175.5-171.8-82.50111.2A440 F457 E458 I460 E469 V470 F471 Q476 M477A440-K473 HydrophobicContact CB-CB 4.05Å; F457-K473 HydrophobicContact CE2-CB 4.32Å; F457-K473 HydrophobicContact CE2-CD 4.31Å; F457-K473 HydrophobicContact CE2-CG 4.34Å; E458-K473 PolarHBondContact O-NZ 2.92Å; I460-K473 HydrophobicContact CD1-CD 4.18Å; I460-K473 HydrophobicContact CG1-CD 3.59Å; E469-K473 PolarHBondContact O-N 3.27Å; V470-K473 PolarHBondContact O-N 2.89Å; F471-K473 PolarHBondContact O-N 2.86Å; K473-Q476 PolarHBondContact O-N 2.78Å; K473-M477 PolarHBondContact O-N 3.49Å
474F98.6Very high98.3Very high0 Ų039.8 Ų39.80%019%0.194CC..Hα-helixtrans-68-42.6177.6-175.5-146.3000112.3L433 T436 L437 A440 V470 F471 K472 Q476 M477 M478 L531 L575L433-F474 HydrophobicContact CD1-CE2 4.07Å; L433-F474 HydrophobicContact CD1-CZ 3.64Å; L433-F474 HydrophobicContact CG-CZ 3.89Å; T436-F474 HydrophobicContact CG2-CD2 4.15Å; T436-F474 HydrophobicContact CG2-CE2 3.72Å; L437-F474 HydrophobicContact CB-CD2 4.04Å; L437-F474 HydrophobicContact CB-CE1 4.35Å; L437-F474 HydrophobicContact CB-CE2 3.83Å; L437-F474 HydrophobicContact CB-CG 4.42Å; L437-F474 HydrophobicContact CB-CZ 3.98Å; L437-F474 HydrophobicContact CD1-CB 4Å; L437-F474 HydrophobicContact CD1-CD1 3.84Å; L437-F474 HydrophobicContact CD1-CD2 4.18Å; L437-F474 HydrophobicContact CD1-CE1 4.3Å; L437-F474 HydrophobicContact CD1-CG 3.75Å; L437-F474 VanDerWaalsContact N-CE2 3.31Å; A440-F474 VanDerWaalsContact CB-CA 3.49Å; A440-F474 HydrophobicContact CB-CB 3.97Å; A440-F474 HydrophobicContact CB-CD2 4.4Å; V470-F474 WeakPolarHBondContact O-CB 3.39Å; V470-F474 PolarHBondContact O-N 2.76Å; F471-F474 PolarHBondContact O-N 3.01Å; K472-F474 VanDerWaalsContact C-N 3.31Å; F474-Q476 VanDerWaalsContact C-N 3.3Å; F474-Q476 PolarHBondContact O-N 2.79Å; F474-M477 PolarHBondContact O-N 3.38Å; F474-M477 VanDerWaalsContact O-N 3.11Å; F474-M478 HydrophobicContact CD1-CE 4.37Å; F474-M478 HydrophobicContact CD2-CG 4.18Å; F474-M478 HydrophobicContact CE1-CE 4.46Å; F474-M478 HydrophobicContact CE1-SD 4.43Å; F474-M478 HydrophobicContact CE2-CG 3.92Å; F474-M478 HydrophobicContact CE2-SD 4.38Å; F474-M478 HydrophobicContact CZ-CG 4.32Å; F474-M478 HydrophobicContact CZ-SD 4.19Å; F474-M478 WeakPolarHBondContact O-CG 3.4Å; F474-M478 PolarHBondContact O-N 3.27Å; F474-L531 HydrophobicContact CD1-CD1 4.23Å; F474-L531 HydrophobicContact CE1-CD1 4.19Å; F474-L575 HydrophobicContact CD1-CD2 4.19Å; F474-L575 HydrophobicContact CE1-CD2 3.53Å; F474-L575 HydrophobicContact CZ-CD2 4.37Å
475D98.4Very high98.4Very high34 Ų3437.8 Ų37.818%0.18218%0.182CC..Hα-helixtrans-58.9-41.2174.6-168.984.7000111.6F471 M478 D479 R578 K582F471-D475 WeakPolarHBondContact O-CB 3.36Å; F471-D475 PolarHBondContact O-N 3.44Å; D475-M478 HydrophobicContact CB-CE 4.42Å; D475-M478 WeakPolarHBondContact O-CB 3.18Å; D475-M478 PolarHBondContact O-N 3.43Å; D475-D479 PolarHBondContact O-N 3.2Å; D475-R578 IonicContact OD1-NH1 2.69Å; D475-R578 PolarHBondContact OD1-NH1 3.46Å; D475-R578 VanDerWaalsContact OD1-NH1 3.11Å; D475-K582 WeakPolarHBondContact O-CE 3Å; D475-K582 PolarHBondContact O-NZ 2.77Å; D475-K582 WeakPolarHBondContact OD1-CE 3.46Å; D475-K582 IonicContact OD1-NZ 3.39Å; D475-K582 PolarHBondContact OD1-NZ 3.35Å; D475-K582 IonicContact OD2-NZ 3.2Å; D475-K582 PolarHBondContact OD2-NZ 3.12Å
476Q97.7Very high98.4Very high96 Ų9637.7 Ų37.745%0.44918%0.181SC..Hα-helixtrans-65.4-40.9173-69.4176-12.100112.8K472 K473 F474 M478 D479 W480K472-Q476 WeakPolarHBondContact O-CG 3.28Å; K472-Q476 PolarHBondContact O-N 3.12Å; K473-Q476 PolarHBondContact O-N 2.78Å; F474-Q476 VanDerWaalsContact C-N 3.3Å; F474-Q476 PolarHBondContact O-N 2.79Å; Q476-M478 VanDerWaalsContact C-N 3.29Å; Q476-M478 PolarHBondContact O-N 2.83Å; Q476-D479 WeakPolarHBondContact O-CB 3.24Å; Q476-D479 PolarHBondContact O-N 2.9Å; Q476-W480 PolarHBondContact O-N 3.47Å
477M98.4Very high98.5Very high1 Ų135.7 Ų35.71%0.00517%0.174CC..Hα-helixtrans-67.6-32.6177-167.660.765.200111.6T436 A440 F457 K473 F474 D479 W480 L481T436-M477 HydrophobicContact CG2-CB 4Å; T436-M477 HydrophobicContact CG2-CG 3.51Å; T436-M477 WeakPolarHBondContact O-CG 3.3Å; A440-M477 HydrophobicContact CB-CB 4.16Å; F457-M477 HydrophobicContact CD1-CE 4.47Å; F457-M477 HydrophobicContact CE1-CE 3.23Å; F457-M477 HydrophobicContact CZ-CE 3.34Å; K473-M477 PolarHBondContact O-N 3.49Å; F474-M477 PolarHBondContact O-N 3.38Å; F474-M477 VanDerWaalsContact O-N 3.11Å; M477-D479 VanDerWaalsContact C-N 3.33Å; M477-W480 HydrophobicContact CG-CE3 4.19Å; M477-W480 PolarHBondContact O-N 2.96Å; M477-W480 HydrophobicContact SD-CD2 4.06Å; M477-W480 HydrophobicContact SD-CE3 3.36Å; M477-W480 HydrophobicContact SD-CZ3 3.83Å; M477-L481 WeakPolarHBondContact O-CB 3.38Å; M477-L481 PolarHBondContact O-N 3.48Å
478M98.8Very high98.5Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-65.3-33.5172.6-75.6-167.3-70.400112.5L433 T436 F474 D475 Q476 L481 A482 L575 R578 F579 K582L433-M478 HydrophobicContact CD1-CG 4.12Å; L433-M478 HydrophobicContact CD1-SD 3.85Å; T436-M478 HydrophobicContact CG2-CG 4.31Å; F474-M478 HydrophobicContact CD1-CE 4.37Å; F474-M478 HydrophobicContact CD2-CG 4.18Å; F474-M478 HydrophobicContact CE1-CE 4.46Å; F474-M478 HydrophobicContact CE1-SD 4.43Å; F474-M478 HydrophobicContact CE2-CG 3.92Å; F474-M478 HydrophobicContact CE2-SD 4.38Å; F474-M478 HydrophobicContact CZ-CG 4.32Å; F474-M478 HydrophobicContact CZ-SD 4.19Å; F474-M478 WeakPolarHBondContact O-CG 3.4Å; F474-M478 PolarHBondContact O-N 3.27Å; D475-M478 HydrophobicContact CB-CE 4.42Å; D475-M478 WeakPolarHBondContact O-CB 3.18Å; D475-M478 PolarHBondContact O-N 3.43Å; Q476-M478 VanDerWaalsContact C-N 3.29Å; Q476-M478 PolarHBondContact O-N 2.83Å; M478-L481 PolarHBondContact O-N 3.44Å; M478-A482 WeakPolarHBondContact O-CB 3.23Å; M478-A482 PolarHBondContact O-N 3.22Å; M478-L575 HydrophobicContact CE-CD2 4.23Å; M478-L575 HydrophobicContact SD-CD2 4.43Å; M478-R578 HydrophobicContact CE-CB 4.48Å; M478-F579 HydrophobicContact CB-CD2 4.03Å; M478-F579 HydrophobicContact CB-CE2 4.37Å; M478-F579 HydrophobicContact CG-CD2 4.15Å; M478-F579 HydrophobicContact SD-CB 4.42Å; M478-F579 HydrophobicContact SD-CD2 4.14Å; M478-K582 HydrophobicContact CB-CD 3.59Å
479D98.6Very high98.5Very high68 Ų6827.8 Ų27.836%0.36414%0.135SC..Hα-helixtrans-62.5-45.9173.5-68.5-44.2000110.9D475 Q476 M477 A482 G483 K582D475-D479 PolarHBondContact O-N 3.2Å; Q476-D479 WeakPolarHBondContact O-CB 3.24Å; Q476-D479 PolarHBondContact O-N 2.9Å; M477-D479 VanDerWaalsContact C-N 3.33Å; D479-A482 PolarHBondContact O-N 3.45Å; D479-G483 PolarHBondContact O-N 3.03Å; D479-G483 VanDerWaalsContact O-N 3.17Å; D479-K582 VanDerWaalsContact OD1-CD 3.28Å; D479-K582 WeakPolarHBondContact OD1-CD 3.47Å; D479-K582 VanDerWaalsContact OD1-CG 3.22Å; D479-K582 WeakPolarHBondContact OD1-CG 3.27Å; D479-K582 IonicContact OD1-NZ 3.44Å; D479-K582 PolarHBondContact OD1-NZ 2.85Å; D479-K582 IonicContact OD2-NZ 2.66Å; D479-K582 PolarHBondContact OD2-NZ 3.3Å
480W98.6Very high98.6Very high27 Ų2726.2 Ų26.210%0.10213%0.128CC..Hα-helixtrans-61.4-46.7175.1166.276.8000111.9E156 C160 V165 Y439 V453 P455 Q476 M477 A482 G483 V484E156-W480 PolarHBondContact OE1-NE1 3.04Å; C160-W480 VanDerWaalsContact SG-CH2 3.57Å; C160-W480 WeakPolarHBondContact SG-CZ2 3.37Å; V165-W480 HydrophobicContact CG1-CH2 4.05Å; V165-W480 HydrophobicContact CG2-CZ3 4.34Å; Y439-W480 HydrophobicContact CD2-CH2 4.27Å; Y439-W480 HydrophobicContact CD2-CZ3 4.12Å; Y439-W480 HydrophobicContact CE2-CH2 4.24Å; Y439-W480 HydrophobicContact CE2-CZ3 4.48Å; V453-W480 HydrophobicContact CG1-CH2 4.38Å; P455-W480 VanDerWaalsContact CD-CG 3.44Å; P455-W480 HydrophobicContact CG-CB 3.86Å; P455-W480 VanDerWaalsContact CG-CD1 3.44Å; P455-W480 HydrophobicContact CG-CD2 4.25Å; P455-W480 HydrophobicContact CG-CG 3.55Å; Q476-W480 PolarHBondContact O-N 3.47Å; M477-W480 HydrophobicContact CG-CE3 4.19Å; M477-W480 PolarHBondContact O-N 2.96Å; M477-W480 HydrophobicContact SD-CD2 4.06Å; M477-W480 HydrophobicContact SD-CE3 3.36Å; M477-W480 HydrophobicContact SD-CZ3 3.83Å; W480-A482 VanDerWaalsContact C-N 3.34Å; W480-A482 PolarHBondContact O-N 3.32Å; W480-G483 PolarHBondContact O-N 3.36Å; W480-V484 HydrophobicContact CD2-CG2 4.41Å; W480-V484 HydrophobicContact CZ2-CG2 4.22Å; W480-V484 PolarHBondContact O-N 3.46Å
481L98.8Very high98.6Very high1 Ų127.4 Ų27.41%0.00514%0.136CC..Hα-helixtrans-58.3-47.3-179.7-175.571.8000111.1V165 I166 A431 T436 M477 M478 G483 V484 Y485 F579V165-L481 HydrophobicContact CG2-CD1 3.79Å; I166-L481 HydrophobicContact CD1-CD1 3.86Å; I166-L481 HydrophobicContact CG1-CD1 3.71Å; A431-L481 HydrophobicContact CB-CD1 4.22Å; A431-L481 HydrophobicContact CB-CD2 3.97Å; A431-L481 HydrophobicContact CB-CG 4.22Å; T436-L481 HydrophobicContact CG2-CB 4.28Å; T436-L481 HydrophobicContact CG2-CD2 4Å; T436-L481 WeakPolarHBondContact OG1-CD2 3.48Å; M477-L481 WeakPolarHBondContact O-CB 3.38Å; M477-L481 PolarHBondContact O-N 3.48Å; M478-L481 PolarHBondContact O-N 3.44Å; L481-G483 VanDerWaalsContact C-N 3.31Å; L481-G483 PolarHBondContact O-N 3.42Å; L481-V484 PolarHBondContact O-N 3.32Å; L481-Y485 WeakPolarHBondContact O-CB 3.45Å; L481-Y485 PolarHBondContact O-N 2.9Å; L481-F579 HydrophobicContact CB-CE2 4.18Å; L481-F579 HydrophobicContact CD2-CE2 3.71Å; L481-F579 HydrophobicContact CD2-CZ 3.65Å; L481-F579 HydrophobicContact CG-CE2 4.13Å; L481-F579 HydrophobicContact CG-CZ 4.02Å
482A98.8Very high98.6Very high0 Ų026.4 Ų26.40%013%0.131CC..Hα-helixtrans-57.7-44.3177.900000111.5M478 D479 W480 Y485 I486 F579 K582 L583M478-A482 WeakPolarHBondContact O-CB 3.23Å; M478-A482 PolarHBondContact O-N 3.22Å; D479-A482 PolarHBondContact O-N 3.45Å; W480-A482 VanDerWaalsContact C-N 3.34Å; W480-A482 PolarHBondContact O-N 3.32Å; A482-Y485 PolarHBondContact O-N 3.45Å; A482-I486 WeakPolarHBondContact O-CG1 3.3Å; A482-I486 PolarHBondContact O-N 3.39Å; A482-F579 HydrophobicContact CB-CE2 4.13Å; A482-F579 HydrophobicContact CB-CZ 4.49Å; A482-K582 HydrophobicContact CB-CB 3.97Å; A482-L583 HydrophobicContact CB-CD2 4Å; A482-L583 HydrophobicContact CB-CG 4.34Å
483G98.6Very high98.7Very high9 Ų919.6 Ų19.69%0.09310%0.101CC..Hα-helixtrans-64.2-49.3179.400000113.6D479 W480 L481 Y485 N487 H586D479-G483 PolarHBondContact O-N 3.03Å; D479-G483 VanDerWaalsContact O-N 3.17Å; W480-G483 PolarHBondContact O-N 3.36Å; L481-G483 VanDerWaalsContact C-N 3.31Å; L481-G483 PolarHBondContact O-N 3.42Å; G483-Y485 VanDerWaalsContact C-N 3.29Å; G483-Y485 PolarHBondContact O-N 3.38Å; G483-N487 WeakPolarHBondContact O-CB 3.45Å; G483-N487 VanDerWaalsContact O-CG 3.27Å; G483-N487 PolarHBondContact O-N 2.88Å; G483-N487 VanDerWaalsContact O-N 3.13Å; G483-N487 PolarHBondContact O-ND2 3.31Å; G483-H586 WeakPolarHBondContact CA-CE1 3.42Å; G483-H586 WeakPolarHBondContact CA-NE2 3.45Å; G483-H586 PolarHBondContact N-NE2 2.73Å; G483-H586 VanDerWaalsContact N-NE2 3.2Å
484V98.7Very high98.7Very high6 Ų622.4 Ų22.44%0.03611%0.112CC..Hα-helixtrans-65.1-37.7178.1-178.30000110.7E156 M157 C160 I166 W480 L481 S488E156-V484 HydrophobicContact CG-CG1 4.43Å; E156-V484 HydrophobicContact CG-CG2 4.01Å; M157-V484 HydrophobicContact CG-CG1 4.24Å; C160-V484 HydrophobicContact CB-CG1 4.44Å; I166-V484 HydrophobicContact CD1-CB 4.05Å; I166-V484 HydrophobicContact CD1-CG1 3.9Å; W480-V484 HydrophobicContact CD2-CG2 4.41Å; W480-V484 HydrophobicContact CZ2-CG2 4.22Å; W480-V484 PolarHBondContact O-N 3.46Å; L481-V484 PolarHBondContact O-N 3.32Å; V484-S488 WeakPolarHBondContact O-CB 3.47Å; V484-S488 PolarHBondContact O-N 2.9Å; V484-S488 PolarHBondContact O-OG 3.21Å
485Y98.8Very high98.7Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-65.4-55.3-179-168.7-170000111.8I166 L169 G428 A429 R430 A431 L481 A482 G483 N487 S488 L489 T519 G520 L583I166-Y485 HydrophobicContact CD1-CG 4.48Å; I166-Y485 HydrophobicContact CG2-CD2 4.11Å; I166-Y485 HydrophobicContact CG2-CE2 4.48Å; L169-Y485 HydrophobicContact CD2-CD2 4.36Å; L169-Y485 HydrophobicContact CD2-CE2 3.67Å; G428-Y485 WeakPolarHBondContact O-CE2 3.2Å; G428-Y485 VanDerWaalsContact O-CZ 3.31Å; G428-Y485 PolarHBondContact O-OH 2.95Å; A429-Y485 VanDerWaalsContact C-OH 3.29Å; A429-Y485 PolarHBondContact O-OH 2.88Å; R430-Y485 VanDerWaalsContact CA-OH 3.24Å; R430-Y485 WeakPolarHBondContact CA-OH 3.42Å; R430-Y485 PolarHBondContact N-OH 2.77Å; A431-Y485 HydrophobicContact CB-CD1 3.79Å; A431-Y485 HydrophobicContact CB-CE1 3.77Å; A431-Y485 HydrophobicContact CB-CG 4.46Å; L481-Y485 WeakPolarHBondContact O-CB 3.45Å; L481-Y485 PolarHBondContact O-N 2.9Å; A482-Y485 PolarHBondContact O-N 3.45Å; G483-Y485 VanDerWaalsContact C-N 3.29Å; G483-Y485 PolarHBondContact O-N 3.38Å; Y485-N487 VanDerWaalsContact C-N 3.31Å; Y485-N487 PolarHBondContact O-N 2.81Å; Y485-S488 WeakPolarHBondContact O-CB 3.43Å; Y485-S488 PolarHBondContact O-N 2.91Å; Y485-S488 VanDerWaalsContact O-N 3.1Å; Y485-L489 HydrophobicContact CD2-CD1 4.05Å; Y485-L489 HydrophobicContact CD2-CD2 4.33Å; Y485-L489 HydrophobicContact CD2-CG 3.95Å; Y485-L489 HydrophobicContact CE2-CD1 3.74Å; Y485-L489 HydrophobicContact CE2-CD2 3.94Å; Y485-L489 HydrophobicContact CE2-CG 3.89Å; Y485-L489 WeakPolarHBondContact O-CG 3.39Å; Y485-L489 PolarHBondContact O-N 3.31Å; Y485-T519 HydrophobicContact CD1-CG2 4.25Å; Y485-T519 HydrophobicContact CE1-CG2 3.99Å; Y485-G520 PolarHBondContact OH-N 2.9Å; Y485-L583 HydrophobicContact CD1-CD2 4.41Å
486I98.8Very high98.7Very high0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-59.8-41.9179.1-68.6-67.4000111.3A482 S488 L489 N490 M517 T519 L583 H586 K587 T588A482-I486 WeakPolarHBondContact O-CG1 3.3Å; A482-I486 PolarHBondContact O-N 3.39Å; I486-S488 VanDerWaalsContact C-N 3.32Å; I486-S488 PolarHBondContact O-N 2.86Å; I486-L489 PolarHBondContact O-N 3.45Å; I486-N490 WeakPolarHBondContact O-CB 3.37Å; I486-N490 PolarHBondContact O-N 2.78Å; I486-N490 PolarHBondContact O-ND2 2.88Å; I486-N490 PolarHBondContact O-OD1 3.4Å; I486-M517 HydrophobicContact CD1-CG 3.95Å; I486-T519 HydrophobicContact CD1-CG2 3.78Å; I486-L583 HydrophobicContact CD1-CD2 4.06Å; I486-L583 HydrophobicContact CG1-CD2 3.91Å; I486-H586 HydrophobicContact CB-CB 3.98Å; I486-H586 HydrophobicContact CG1-CB 4.12Å; I486-H586 HydrophobicContact CG2-CB 3.75Å; I486-K587 WeakPolarHBondContact CG2-O 3.34Å; I486-T588 HydrophobicContact CD1-CG2 4.34Å; I486-T588 HydrophobicContact CG2-CG2 4.24Å
487N98.7Very high98.8Very high77 Ų7718 Ų1841%0.4129%0.091SC..Hα-helixtrans-65.1-35.6177.8-72.9-36.7000112.7M157 G483 Y485 N490 V491M157-N487 VanDerWaalsContact CE-C 3.46Å; M157-N487 HydrophobicContact CE-CB 3.5Å; M157-N487 VanDerWaalsContact CE-CB 3.5Å; G483-N487 WeakPolarHBondContact O-CB 3.45Å; G483-N487 VanDerWaalsContact O-CG 3.27Å; G483-N487 PolarHBondContact O-N 2.88Å; G483-N487 VanDerWaalsContact O-N 3.13Å; G483-N487 PolarHBondContact O-ND2 3.31Å; Y485-N487 VanDerWaalsContact C-N 3.31Å; Y485-N487 PolarHBondContact O-N 2.81Å; N487-N490 PolarHBondContact O-N 3.24Å; N487-V491 PolarHBondContact O-N 3.27Å
488S98.8Very high98.8Very high4 Ų423.7 Ų23.73%0.02812%0.116CC..Hα-helixtrans-63.7-45.2174.3-56.30000110.6M157 V484 Y485 I486 V491 I492M157-S488 WeakPolarHBondContact CG-OG 3.28Å; V484-S488 WeakPolarHBondContact O-CB 3.47Å; V484-S488 PolarHBondContact O-N 2.9Å; V484-S488 PolarHBondContact O-OG 3.21Å; Y485-S488 WeakPolarHBondContact O-CB 3.43Å; Y485-S488 PolarHBondContact O-N 2.91Å; Y485-S488 VanDerWaalsContact O-N 3.1Å; I486-S488 VanDerWaalsContact C-N 3.32Å; I486-S488 PolarHBondContact O-N 2.86Å; S488-V491 PolarHBondContact O-N 3.16Å; S488-I492 WeakPolarHBondContact O-CG1 3.48Å; S488-I492 PolarHBondContact O-N 3.41Å
489L98.9Very high98.8Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-65.8-38.3178.1-60.5-174.1000112.6L169 G428 Y485 I486 V491 I492 H493 M517 T519L169-L489 HydrophobicContact CD1-CD2 4.21Å; L169-L489 HydrophobicContact CD2-CD2 4.29Å; G428-L489 VanDerWaalsContact CA-CD2 3.47Å; Y485-L489 HydrophobicContact CD2-CD1 4.05Å; Y485-L489 HydrophobicContact CD2-CD2 4.33Å; Y485-L489 HydrophobicContact CD2-CG 3.95Å; Y485-L489 HydrophobicContact CE2-CD1 3.74Å; Y485-L489 HydrophobicContact CE2-CD2 3.94Å; Y485-L489 HydrophobicContact CE2-CG 3.89Å; Y485-L489 WeakPolarHBondContact O-CG 3.39Å; Y485-L489 PolarHBondContact O-N 3.31Å; I486-L489 PolarHBondContact O-N 3.45Å; L489-V491 VanDerWaalsContact C-N 3.29Å; L489-V491 PolarHBondContact O-N 3.5Å; L489-I492 HydrophobicContact CD2-CD1 4.14Å; L489-I492 PolarHBondContact O-N 3.16Å; L489-I492 VanDerWaalsContact O-N 3.17Å; L489-H493 PolarHBondContact O-CD2 3.17Å; L489-H493 PolarHBondContact O-N 3.08Å; L489-M517 HydrophobicContact CB-CE 4.28Å; L489-M517 HydrophobicContact CB-CG 4.49Å; L489-M517 HydrophobicContact CB-SD 3.5Å; L489-M517 VanDerWaalsContact CB-SD 3.5Å; L489-M517 HydrophobicContact CD1-CG 3.96Å; L489-M517 HydrophobicContact CD1-SD 3.75Å; L489-M517 HydrophobicContact CG-SD 4.26Å; L489-T519 HydrophobicContact CD1-CG2 3.94Å
490N98.9Very high98.7Very high30 Ų3022.3 Ų22.316%0.1611%0.107CC..Hα-helixtrans-56.9-44174.5-72.6-17.5000111.7I486 N487 Y494 M517 K587 T588 Y589I486-N490 WeakPolarHBondContact O-CB 3.37Å; I486-N490 PolarHBondContact O-N 2.78Å; I486-N490 PolarHBondContact O-ND2 2.88Å; I486-N490 PolarHBondContact O-OD1 3.4Å; N487-N490 PolarHBondContact O-N 3.24Å; N490-Y494 VanDerWaalsContact O-CB 3.25Å; N490-Y494 WeakPolarHBondContact O-CB 3.41Å; N490-Y494 PolarHBondContact O-N 3.46Å; N490-Y494 VanDerWaalsContact O-N 3.17Å; N490-M517 WeakPolarHBondContact OD1-CE 3.33Å; N490-K587 PolarHBondContact ND2-O 3.01Å; N490-T588 WeakPolarHBondContact OD1-CA 3.37Å; N490-Y589 PolarHBondContact OD1-N 3.21Å
491V98.9Very high98.7Very high25 Ų2522.3 Ų22.315%0.15211%0.107CC..Hα-helixtrans-64-48.9174.7173.70000110.7V149 A152 Y153 N487 S488 L489 H493 M495V149-V491 HydrophobicContact CG1-CG1 4.23Å; A152-V491 HydrophobicContact CB-CG1 3.61Å; A152-V491 HydrophobicContact CB-CG2 4.48Å; Y153-V491 HydrophobicContact CD1-CB 4.24Å; Y153-V491 HydrophobicContact CD1-CG1 3.89Å; Y153-V491 HydrophobicContact CE1-CB 4.25Å; Y153-V491 HydrophobicContact CE1-CG1 4.13Å; N487-V491 PolarHBondContact O-N 3.27Å; S488-V491 PolarHBondContact O-N 3.16Å; L489-V491 VanDerWaalsContact C-N 3.29Å; L489-V491 PolarHBondContact O-N 3.5Å; V491-H493 PolarHBondContact O-N 3.03Å; V491-M495 HydrophobicContact CG1-CG 4.37Å; V491-M495 WeakPolarHBondContact O-CB 3.22Å; V491-M495 WeakPolarHBondContact O-CG 3.37Å; V491-M495 PolarHBondContact O-N 2.91Å
492I98.9Very high98.7Very high0 Ų022.4 Ų22.40%011%0.107CC..Hα-helixtrans-55.9-54.4-178.7-71.3171.8000111H145 V149 Y153 L169 P170 D171 S488 L489 M495 H496H145-I492 PolarHBondContact CE1-O 2.96Å; H145-I492 VanDerWaalsContact CE1-O 3.28Å; V149-I492 HydrophobicContact CG1-CG1 4.05Å; V149-I492 HydrophobicContact CG2-CG1 4.26Å; Y153-I492 HydrophobicContact CE1-CG1 4.32Å; Y153-I492 WeakPolarHBondContact OH-CD1 3.44Å; L169-I492 HydrophobicContact CB-CD1 3.57Å; L169-I492 HydrophobicContact CD1-CD1 3.86Å; L169-I492 HydrophobicContact CG-CD1 4.37Å; P170-I492 HydrophobicContact CG-CG2 4.04Å; P170-I492 WeakPolarHBondContact O-CG2 3.37Å; D171-I492 HydrophobicContact CB-CD1 4.31Å; D171-I492 HydrophobicContact CB-CG1 4.34Å; S488-I492 WeakPolarHBondContact O-CG1 3.48Å; S488-I492 PolarHBondContact O-N 3.41Å; L489-I492 HydrophobicContact CD2-CD1 4.14Å; L489-I492 PolarHBondContact O-N 3.16Å; L489-I492 VanDerWaalsContact O-N 3.17Å; I492-M495 CarbonylContact O-C 2.96Å; I492-M495 PolarHBondContact O-N 2.87Å; I492-H496 WeakPolarHBondContact O-CB 3.39Å; I492-H496 PolarHBondContact O-N 3Å
493H98.9Very high98.7Very high0 Ų023.9 Ų23.90%011%0.113CC..Hα-helixtrans-74.7-31.3-171.4-62-56.4000112.9F426 F427 L489 V491 M495 H496 D497 M517 Y589F426-H493 HydrophobicContact CB-CB 4.5Å; F426-H493 HydrophobicContact CD1-CB 3.95Å; F426-H493 AromaticContact CD1-CG 3.77Å; F426-H493 AromaticContact CD1-ND1 3.73Å; F426-H493 HydrophobicContact CD2-CB 4.08Å; F426-H493 HydrophobicContact CE1-CB 4.16Å; F426-H493 HydrophobicContact CE2-CB 4.25Å; F426-H493 HydrophobicContact CG-CB 3.92Å; F426-H493 AromaticContact CG-CD2 3.89Å; F426-H493 AromaticContact CG-CG 3.58Å; F426-H493 AromaticContact CG-ND1 3.86Å; F426-H493 HydrophobicContact CZ-CB 4.28Å; F427-H493 PolarHBondContact N-CE1 3.28Å; F427-H493 PolarHBondContact O-CE1 2.57Å; F427-H493 PolarHBondContact O-NE2 2.92Å; L489-H493 PolarHBondContact O-CD2 3.17Å; L489-H493 PolarHBondContact O-N 3.08Å; V491-H493 PolarHBondContact O-N 3.03Å; H493-M495 VanDerWaalsContact C-N 3.33Å; H493-H496 PolarHBondContact O-N 3.19Å; H493-D497 PolarHBondContact O-N 2.91Å; H493-M517 VanDerWaalsContact CD2-SD 3.58Å; H493-Y589 HydrophobicContact CB-CD1 3.72Å; H493-Y589 HydrophobicContact CB-CE1 4.14Å
494Y98.8Very high98.7Very high93 Ų9323.5 Ų23.537%0.36511%0.109SC..Hα-helixtrans-58.2-47.5167.6178-85.9000111.2N490 K498 Y589N490-Y494 VanDerWaalsContact O-CB 3.25Å; N490-Y494 WeakPolarHBondContact O-CB 3.41Å; N490-Y494 PolarHBondContact O-N 3.46Å; N490-Y494 VanDerWaalsContact O-N 3.17Å; Y494-K498 HydrophobicContact CE1-CD 4.25Å; Y494-K498 WeakPolarHBondContact O-CB 3.31Å; Y494-K498 PolarHBondContact O-N 3.2Å; Y494-K498 VanDerWaalsContact O-N 3.13Å; Y494-Y589 HydrophobicContact CD2-CD2 4.18Å; Y494-Y589 AromaticContact CD2-CE2 3.64Å; Y494-Y589 HydrophobicContact CD2-CE2 3.64Å; Y494-Y589 HydrophobicContact CG-CE2 4.3Å
495M98.8Very high98.7Very high23 Ų2323.2 Ų23.211%0.11311%0.107CC..Hα-helixtrans-72-30.6-179.3-63.7-62176.100112.3G148 V149 A152 V491 I492 H493 K498 Y499G148-M495 WeakPolarHBondContact O-CE 3.35Å; V149-M495 HydrophobicContact CG2-CB 3.71Å; V149-M495 HydrophobicContact CG2-CG 4.06Å; A152-M495 HydrophobicContact CB-CE 3.59Å; V491-M495 HydrophobicContact CG1-CG 4.37Å; V491-M495 WeakPolarHBondContact O-CB 3.22Å; V491-M495 WeakPolarHBondContact O-CG 3.37Å; V491-M495 PolarHBondContact O-N 2.91Å; I492-M495 CarbonylContact O-C 2.96Å; I492-M495 PolarHBondContact O-N 2.87Å; H493-M495 VanDerWaalsContact C-N 3.33Å; M495-K498 PolarHBondContact O-N 2.8Å; M495-Y499 HydrophobicContact CB-CD2 4.23Å; M495-Y499 HydrophobicContact CB-CE2 4.48Å; M495-Y499 WeakPolarHBondContact O-CB 3.49Å; M495-Y499 VanDerWaalsContact O-CD2 3.24Å; M495-Y499 WeakPolarHBondContact O-CD2 3.48Å; M495-Y499 PolarHBondContact O-N 3.09Å; M495-Y499 HydrophobicContact SD-CD2 4.28Å; M495-Y499 HydrophobicContact SD-CE2 3.59Å; M495-Y499 VanDerWaalsContact SD-CE2 3.59Å
496H98.8Very high98.7Very high0 Ų023.4 Ų23.40%011%0.108CC..Hα-helixtrans-70.2-46.2177.1-155.3-65000111.3H145 R175 I492 H493 K498 Y499 S500 Y501 E502H145-H496 AromaticContact CE1-CD2 3.87Å; H145-H496 AromaticContact CG-CD2 3.97Å; H145-H496 VanDerWaalsContact ND1-CA 3.32Å; H145-H496 WeakPolarHBondContact ND1-CA 3.37Å; H145-H496 AromaticContact ND1-CD2 3.89Å; H145-H496 PolarHBondContact ND1-N 2.96Å; H145-H496 VanDerWaalsContact ND1-N 3.2Å; H145-H496 AromaticContact NE2-CD2 3.97Å; R175-H496 PolarHBondContact N-NE2 3.34Å; R175-H496 PolarHBondContact NE-ND1 3.48Å; I492-H496 WeakPolarHBondContact O-CB 3.39Å; I492-H496 PolarHBondContact O-N 3Å; H493-H496 PolarHBondContact O-N 3.19Å; H496-K498 PolarHBondContact O-N 3.2Å; H496-Y499 PolarHBondContact O-N 2.64Å; H496-S500 PolarHBondContact CE1-O 3.2Å; H496-S500 PolarHBondContact ND1-O 3.22Å; H496-S500 VanDerWaalsContact ND1-O 3.08Å; H496-S500 CarbonylContact O-C 3.49Å; H496-S500 WeakPolarHBondContact O-CA 3.35Å; H496-S500 PolarHBondContact O-N 2.74Å; H496-Y501 PolarHBondContact O-N 3.01Å; H496-E502 IonicContact CE1-OE1 3.06Å; H496-E502 PolarHBondContact CE1-OE1 3.41Å; H496-E502 IonicContact ND1-OE1 3.84Å; H496-E502 PolarHBondContact ND1-OE1 2.93Å; H496-E502 IonicContact NE2-OE1 2.86Å
497D98.7Very high98.7Very high15 Ų1523.5 Ų23.58%0.0811%0.109CC..Hα-helixtrans-58.4-39.3173-77.5-1.9000111.1R175 H493 Y501 Y589 R590R175-D497 IonicContact CZ-OD1 3.4Å; R175-D497 VanDerWaalsContact CZ-OD1 3.23Å; R175-D497 IonicContact NH1-OD1 2.7Å; R175-D497 PolarHBondContact NH1-OD1 2.89Å; R175-D497 IonicContact NH2-OD1 3.49Å; R175-D497 PolarHBondContact NH2-OD1 3.45Å; H493-D497 PolarHBondContact O-N 2.91Å; D497-Y501 WeakPolarHBondContact O-CB 3.5Å; D497-Y589 WeakPolarHBondContact OD2-CE1 3.34Å; D497-Y589 PolarHBondContact OD2-OH 2.87Å; D497-R590 IonicContact OD1-NH1 3.96Å; D497-R590 IonicContact OD2-CZ 3.18Å; D497-R590 IonicContact OD2-NE 3.79Å; D497-R590 IonicContact OD2-NH1 3.22Å; D497-R590 PolarHBondContact OD2-NH1 2.94Å
498K98.5Very high98.8Very high119 Ų11919.9 Ų19.952%0.5179%0.089SC..Hα-helixtrans-72.7-38.4-178.1-173.5169.1-178.8169.60114.1Y494 M495 H496Y494-K498 HydrophobicContact CE1-CD 4.25Å; Y494-K498 WeakPolarHBondContact O-CB 3.31Å; Y494-K498 PolarHBondContact O-N 3.2Å; Y494-K498 VanDerWaalsContact O-N 3.13Å; M495-K498 PolarHBondContact O-N 2.8Å; H496-K498 PolarHBondContact O-N 3.2Å
499Y98.5Very high98.8Very high32 Ų3219.7 Ų19.713%0.1259%0.088CC..Hα-helixtrans-115.8-11.8-168.5-60.9-58.6000114.8R142 K143 M495 H496R142-Y499 VanDerWaalsContact CZ-O 3.28Å; R142-Y499 PolarHBondContact NH1-O 3.1Å; R142-Y499 PolarHBondContact NH2-O 3.38Å; K143-Y499 HydrophobicContact CB-CD1 4.49Å; K143-Y499 HydrophobicContact CB-CE1 4.11Å; K143-Y499 HydrophobicContact CD-CE1 4.24Å; K143-Y499 HydrophobicContact CD-CE2 4.44Å; K143-Y499 HydrophobicContact CG-CE1 4.28Å; M495-Y499 HydrophobicContact CB-CD2 4.23Å; M495-Y499 HydrophobicContact CB-CE2 4.48Å; M495-Y499 WeakPolarHBondContact O-CB 3.49Å; M495-Y499 VanDerWaalsContact O-CD2 3.24Å; M495-Y499 WeakPolarHBondContact O-CD2 3.48Å; M495-Y499 PolarHBondContact O-N 3.09Å; M495-Y499 HydrophobicContact SD-CD2 4.28Å; M495-Y499 HydrophobicContact SD-CE2 3.59Å; M495-Y499 VanDerWaalsContact SD-CE2 3.59Å; H496-Y499 PolarHBondContact O-N 2.64Å
500S98.3Very high98.7Very high8 Ų821.9 Ų21.96%0.05610%0.1CC..  trans-152.848.3-178.6-159.30000111.4Q265 H496 E502Q265-S500 PolarHBondContact OE1-OG 3.07Å; H496-S500 PolarHBondContact CE1-O 3.2Å; H496-S500 PolarHBondContact ND1-O 3.22Å; H496-S500 VanDerWaalsContact ND1-O 3.08Å; H496-S500 CarbonylContact O-C 3.49Å; H496-S500 WeakPolarHBondContact O-CA 3.35Å; H496-S500 PolarHBondContact O-N 2.74Å; S500-E502 PolarHBondContact O-N 2.96Å
501Y98.6Very high98.6Very high26 Ų2621.4 Ų21.410%0.10210%0.098CC..  trans-62132.2175.4-174.3-110.7000111.4E218 Q222 Q265 H496 D497 R503 M506E218-Y501 HydrophobicContact CB-CE1 3.84Å; E218-Y501 HydrophobicContact CB-CE2 4.42Å; E218-Y501 HydrophobicContact CG-CD1 4.27Å; E218-Y501 HydrophobicContact CG-CD2 4.24Å; E218-Y501 HydrophobicContact CG-CE1 3.81Å; E218-Y501 HydrophobicContact CG-CE2 3.76Å; E218-Y501 HydrophobicContact CG-CG 4.47Å; Q222-Y501 HydrophobicContact CG-CE1 4.31Å; Q222-Y501 PolarHBondContact NE2-OH 3.5Å; Q265-Y501 PolarHBondContact NE2-O 3.47Å; H496-Y501 PolarHBondContact O-N 3.01Å; D497-Y501 WeakPolarHBondContact O-CB 3.5Å; Y501-R503 VanDerWaalsContact C-N 3.27Å; Y501-R503 HydrophobicContact CD1-CG 4.02Å; Y501-R503 PolarHBondContact O-N 3.1Å; Y501-M506 HydrophobicContact CE1-CB 4.09Å; Y501-M506 HydrophobicContact CE1-CG 4.23Å; Y501-M506 HydrophobicContact CE2-CG 3.98Å; Y501-M506 WeakPolarHBondContact OH-CB 3.43Å
502E98.7Very high98.4Very high3 Ų326.9 Ų26.91%0.01412%0.122CC..  trans-82.165.5-172.5-58.587.8162.800112R175 I178 Q265 H496 S500 I504 E505 M506R175-E502 WeakPolarHBondContact CG-OE1 3.29Å; R175-E502 IonicContact CZ-OE1 3.71Å; R175-E502 IonicContact CZ-OE2 2.75Å; R175-E502 IonicContact NE-OE1 3.5Å; R175-E502 PolarHBondContact NE-OE1 2.85Å; R175-E502 IonicContact NE-OE2 2.65Å; R175-E502 IonicContact NH2-OE1 2.86Å; R175-E502 PolarHBondContact NH2-OE1 2.89Å; R175-E502 IonicContact NH2-OE2 2.63Å; R175-E502 PolarHBondContact NH2-OE2 2.66Å; I178-E502 HydrophobicContact CD1-CB 3.93Å; I178-E502 HydrophobicContact CD1-CG 3.61Å; I178-E502 WeakPolarHBondContact CD1-OE1 3.34Å; Q265-E502 HydrophobicContact CG-CB 4.08Å; Q265-E502 HydrophobicContact CG-CG 3.8Å; H496-E502 IonicContact CE1-OE1 3.06Å; H496-E502 PolarHBondContact CE1-OE1 3.41Å; H496-E502 IonicContact ND1-OE1 3.84Å; H496-E502 PolarHBondContact ND1-OE1 2.93Å; H496-E502 IonicContact NE2-OE1 2.86Å; S500-E502 PolarHBondContact O-N 2.96Å; E502-I504 PolarHBondContact O-N 3.39Å; E502-E505 HydrophobicContact CB-CB 4.28Å; E502-E505 PolarHBondContact O-N 2.96Å; E502-M506 HydrophobicContact CB-CG 4.36Å; E502-M506 WeakPolarHBondContact O-CB 3.23Å; E502-M506 WeakPolarHBondContact O-CG 3.28Å; E502-M506 PolarHBondContact O-N 3.12Å
503R98.7Very high98.4Very high32 Ų3227.7 Ų27.712%0.12113%0.126CC..Hα-helixtrans-49.6-50-165.5-55.5-175.3-65139.55.2113.4E221 A225 E228 E264 Y501 A507E221-R503 HydrophobicContact CB-CB 4.47Å; E221-R503 HydrophobicContact CB-CG 3.86Å; E221-R503 WeakPolarHBondContact OE2-CD 3.26Å; E221-R503 IonicContact OE2-NE 3.44Å; E221-R503 IonicContact OE2-NH1 2.68Å; E221-R503 PolarHBondContact OE2-NH1 3.41Å; A225-R503 HydrophobicContact CB-CB 3.68Å; E228-R503 IonicContact OE1-CZ 3.19Å; E228-R503 IonicContact OE1-NH1 3.26Å; E228-R503 PolarHBondContact OE1-NH1 3.37Å; E228-R503 IonicContact OE1-NH2 3.59Å; E228-R503 PolarHBondContact OE1-NH2 2.91Å; E228-R503 IonicContact OE2-CZ 2.76Å; E228-R503 IonicContact OE2-NH1 2.74Å; E228-R503 IonicContact OE2-NH2 3.77Å; E228-R503 PolarHBondContact OE2-NH2 3.12Å; E264-R503 IonicContact OE1-CZ 2.71Å; E264-R503 IonicContact OE1-NE 3.66Å; E264-R503 PolarHBondContact OE1-NE 2.83Å; E264-R503 IonicContact OE1-NH2 3.56Å; E264-R503 PolarHBondContact OE1-NH2 3.32Å; E264-R503 PolarHBondContact OE2-N 3.46Å; Y501-R503 VanDerWaalsContact C-N 3.27Å; Y501-R503 HydrophobicContact CD1-CG 4.02Å; Y501-R503 PolarHBondContact O-N 3.1Å; R503-A507 VanDerWaalsContact O-CB 3.3Å; R503-A507 WeakPolarHBondContact O-CB 3.33Å; R503-A507 PolarHBondContact O-N 3.17Å
504I98.8Very high98.3Very high0 Ų031.1 Ų31.10%015%0.147CC..Hα-helixtrans-72.7-39.7-175.5-172.258.1000112.8I82 A225 L226 L229 A260 A261 E502 M506 A507 L508I82-I504 HydrophobicContact CD1-CB 3.84Å; I82-I504 HydrophobicContact CD1-CG1 4.28Å; I82-I504 HydrophobicContact CD1-CG2 4.22Å; A225-I504 HydrophobicContact CB-CB 4.04Å; A225-I504 HydrophobicContact CB-CD1 4.2Å; L226-I504 HydrophobicContact CD2-CD1 4.22Å; L229-I504 HydrophobicContact CB-CD1 4.12Å; L229-I504 HydrophobicContact CD2-CD1 4.13Å; A260-I504 HydrophobicContact CB-CG1 3.89Å; A260-I504 HydrophobicContact CB-CG2 4.44Å; A261-I504 HydrophobicContact CB-CG2 4.14Å; E502-I504 PolarHBondContact O-N 3.39Å; I504-M506 VanDerWaalsContact C-N 3.33Å; I504-M506 PolarHBondContact O-N 3.17Å; I504-A507 WeakPolarHBondContact O-CB 3.24Å; I504-A507 PolarHBondContact O-N 3.28Å; I504-L508 WeakPolarHBondContact O-CG 3.22Å; I504-L508 PolarHBondContact O-N 3.11Å
505E98.8Very high98.3Very high1 Ų128.1 Ų28.11%0.00514%0.135CC..Hα-helixtrans-64.6-43177.2-64.7178.393.500110.3I178 G180 A261 E502 A507 L508 H509I178-E505 HydrophobicContact CG2-CB 3.68Å; G180-E505 WeakPolarHBondContact CA-O 3.16Å; A261-E505 HydrophobicContact CB-CG 3.51Å; E502-E505 HydrophobicContact CB-CB 4.28Å; E502-E505 PolarHBondContact O-N 2.96Å; E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 2.8Å; E505-L508 PolarHBondContact O-N 2.92Å; E505-L508 VanDerWaalsContact O-N 3.16Å; E505-H509 PolarHBondContact O-ND1 3Å
506M98.8Very high98.3Very high4 Ų427.2 Ų27.22%0.0213%0.13CC..Hα-helixtrans-70-28.3177-61.2-56.9-5900112.8I178 Q222 M424 Y501 E502 I504 L508 H509 I513I178-M506 HydrophobicContact CG2-SD 4.1Å; Q222-M506 HydrophobicContact CG-CB 4.11Å; Q222-M506 PolarHBondContact OE1-O 3.44Å; M424-M506 HydrophobicContact SD-CE 4.14Å; M424-M506 HydrophobicContact SD-SD 3.97Å; Y501-M506 HydrophobicContact CE1-CB 4.09Å; Y501-M506 HydrophobicContact CE1-CG 4.23Å; Y501-M506 HydrophobicContact CE2-CG 3.98Å; Y501-M506 WeakPolarHBondContact OH-CB 3.43Å; E502-M506 HydrophobicContact CB-CG 4.36Å; E502-M506 WeakPolarHBondContact O-CB 3.23Å; E502-M506 WeakPolarHBondContact O-CG 3.28Å; E502-M506 PolarHBondContact O-N 3.12Å; I504-M506 VanDerWaalsContact C-N 3.33Å; I504-M506 PolarHBondContact O-N 3.17Å; M506-L508 PolarHBondContact O-N 3.34Å; M506-H509 WeakPolarHBondContact O-CB 3.26Å; M506-H509 PolarHBondContact O-N 3.3Å; M506-H509 VanDerWaalsContact O-N 3.1Å; M506-I513 HydrophobicContact CE-CD1 3.4Å; M506-I513 VanDerWaalsContact CE-CD1 3.4Å; M506-I513 HydrophobicContact CE-CG1 4.39Å; M506-I513 HydrophobicContact SD-CD1 4.43Å
507A98.8Very high98.3Very high2 Ų227.2 Ų27.22%0.01713%0.13CC..Hα-helixtrans-65.5-22.9173.300000112.4K197 Q222 L226 R503 I504 E505 H509K197-A507 WeakPolarHBondContact CE-O 3.11Å; Q222-A507 HydrophobicContact CB-CB 3.61Å; Q222-A507 HydrophobicContact CG-CB 3.99Å; Q222-A507 WeakPolarHBondContact O-CB 3.43Å; L226-A507 HydrophobicContact CD1-CB 4.13Å; L226-A507 HydrophobicContact CD2-CB 4.08Å; L226-A507 HydrophobicContact CG-CB 3.77Å; R503-A507 VanDerWaalsContact O-CB 3.3Å; R503-A507 WeakPolarHBondContact O-CB 3.33Å; R503-A507 PolarHBondContact O-N 3.17Å; I504-A507 WeakPolarHBondContact O-CB 3.24Å; I504-A507 PolarHBondContact O-N 3.28Å; E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 2.8Å; A507-H509 VanDerWaalsContact C-N 3.33Å
508L98.9Very high98.3Very high0 Ų026.5 Ų26.50%013%0.127CC..THydrogen-bonded Turntrans-96.517.5176.4-57.4174.7000112.6D181 Y182 R184 V185 L193 L226 A257 I504 E505 M506D181-L508 VanDerWaalsContact CB-O 3.29Å; D181-L508 WeakPolarHBondContact CB-O 3.3Å; D181-L508 PolarHBondContact N-O 3.05Å; D181-L508 VanDerWaalsContact N-O 3.12Å; Y182-L508 HydrophobicContact CD1-CD1 3.68Å; Y182-L508 HydrophobicContact CE1-CD1 4.21Å; R184-L508 HydrophobicContact CB-CD2 4.43Å; R184-L508 PolarHBondContact NE-O 2.92Å; V185-L508 HydrophobicContact CG2-CD1 4.37Å; V185-L508 HydrophobicContact CG2-CD2 3.66Å; L193-L508 HydrophobicContact CD1-CD2 3.91Å; L226-L508 HydrophobicContact CD2-CD2 4.15Å; A257-L508 HydrophobicContact CB-CD1 4.17Å; I504-L508 WeakPolarHBondContact O-CG 3.22Å; I504-L508 PolarHBondContact O-N 3.11Å; E505-L508 PolarHBondContact O-N 2.92Å; E505-L508 VanDerWaalsContact O-N 3.16Å; M506-L508 PolarHBondContact O-N 3.34Å
509H98.8Very high98.3Very high0 Ų020.9 Ų20.90%010%0.103CC..SBendtrans-108.5165.4167.2-74.370.8000111.5I179 R184 K197 G421 Q423 E505 M506 A507 I513I179-H509 VanDerWaalsContact C-CE1 3.48Å; I179-H509 PolarHBondContact O-CE1 2.99Å; I179-H509 PolarHBondContact O-NE2 3.24Å; R184-H509 PolarHBondContact NH1-O 3.39Å; K197-H509 WeakPolarHBondContact CE-O 3.34Å; K197-H509 PolarHBondContact NZ-O 3.31Å; G421-H509 VanDerWaalsContact CA-CD2 3.48Å; G421-H509 WeakPolarHBondContact CA-CD2 3.44Å; G421-H509 CarbonylContact O-C 3.52Å; G421-H509 VanDerWaalsContact O-CA 3.25Å; G421-H509 WeakPolarHBondContact O-CA 3.43Å; G421-H509 WeakPolarHBondContact O-CB 3.37Å; Q423-H509 PolarHBondContact O-NE2 3.24Å; E505-H509 PolarHBondContact O-ND1 3Å; M506-H509 WeakPolarHBondContact O-CB 3.26Å; M506-H509 PolarHBondContact O-N 3.3Å; M506-H509 VanDerWaalsContact O-N 3.1Å; A507-H509 VanDerWaalsContact C-N 3.33Å; H509-I513 HydrophobicContact CB-CG2 3.87Å
510D98.2Very high98.3Very high47 Ų4719.4 Ų19.425%0.25110%0.097SC..  trans-59.4160159.3-65.22.4000109.9R184 G421 K422 I513R184-D510 IonicContact CZ-OD1 2.77Å; R184-D510 IonicContact NH1-OD1 3.9Å; R184-D510 PolarHBondContact NH1-OD1 3.48Å; R184-D510 IonicContact NH2-OD1 3.67Å; R184-D510 PolarHBondContact NH2-OD1 3.07Å; G421-D510 PolarHBondContact O-N 2.87Å; K422-D510 IonicContact NZ-OD1 3.36Å; K422-D510 IonicContact NZ-OD2 3.82Å; K422-D510 PolarHBondContact NZ-OD2 3.04Å; D510-I513 VanDerWaalsContact O-CG2 3.3Å; D510-I513 WeakPolarHBondContact O-CG2 3.38Å
511T96.7Very high98.3Very high20 Ų2019 Ų1912%0.1239%0.094CC..SBendtrans-68.6-44.2-178-72.20000112.2D200 L215 L219D200-T511 HydrophobicContact CB-CG2 4.45Å; D200-T511 WeakPolarHBondContact CB-OG1 3.32Å; D200-T511 WeakPolarHBondContact OD2-CB 3.49Å; D200-T511 PolarHBondContact OD2-OG1 3.42Å; L215-T511 HydrophobicContact CD1-CG2 4.3Å; L215-T511 HydrophobicContact CD2-CG2 4.18Å; L215-T511 HydrophobicContact CG-CG2 4.47Å; L219-T511 HydrophobicContact CD1-CG2 3.99Å; L219-T511 HydrophobicContact CD2-CG2 3.99Å; L219-T511 WeakPolarHBondContact CD2-OG1 3.39Å; L219-T511 HydrophobicContact CG-CG2 4.39Å
512E94.9Very high98.3Very high139 Ų13917.8 Ų17.865%0.659%0.089SC*.SBendtrans-95.8126.1170.9-65.9-60.5156.900109.6L215L215-E512 VanDerWaalsContact CD2-OE1 3.25Å; L215-E512 WeakPolarHBondContact CD2-OE1 3.41Å
513I97.5Very high98.3Very high18 Ų1817.7 Ų17.79%0.0929%0.089CC..  trans-132.4152.9-178.765.3163.7000111.7K422 M424 M506 H509 D510 R515K422-I513 WeakPolarHBondContact O-CA 3.32Å; K422-I513 WeakPolarHBondContact O-CB 3.47Å; M424-I513 HydrophobicContact CB-CD1 4.18Å; M424-I513 HydrophobicContact CG-CD1 3.55Å; M424-I513 HydrophobicContact SD-CD1 3.71Å; M506-I513 HydrophobicContact CE-CD1 3.4Å; M506-I513 VanDerWaalsContact CE-CD1 3.4Å; M506-I513 HydrophobicContact CE-CG1 4.39Å; M506-I513 HydrophobicContact SD-CD1 4.43Å; H509-I513 HydrophobicContact CB-CG2 3.87Å; D510-I513 VanDerWaalsContact O-CG2 3.3Å; D510-I513 WeakPolarHBondContact O-CG2 3.38Å; I513-R515 HydrophobicContact CD1-CG 4.31Å; I513-R515 HydrophobicContact CG1-CG 4.29Å
514V98.4Very high98.3Very high71 Ų7116.2 Ų16.243%0.438%0.083SC..EExtended strand (participates in β ladder)trans-74.1132.6168.6179.70000109.1K422 Q423 M424K422-V514 PolarHBondContact O-N 3.29Å; Q423-V514 CarbonylContact C-O 3.46Å; Q423-V514 VanDerWaalsContact CA-O 3.28Å; Q423-V514 WeakPolarHBondContact CA-O 3.29Å; Q423-V514 HydrophobicContact CB-CB 4.13Å; Q423-V514 HydrophobicContact CG-CB 3.95Å; Q423-V514 HydrophobicContact CG-CG1 4.12Å; M424-V514 PolarHBondContact N-O 3.06Å
515R98.7Very high98.2Very high31 Ų3116.2 Ų16.212%0.1178%0.084CC..EExtended strand (participates in β ladder)trans-118132.2171.3-66.3178.3177.679.2-1.6108.6M424 F426 I513 S592 E593M424-R515 HydrophobicContact CG-CG 3.85Å; M424-R515 WeakPolarHBondContact O-CA 3.44Å; M424-R515 HydrophobicContact SD-CG 4.21Å; F426-R515 HydrophobicContact CE2-CB 4.45Å; I513-R515 HydrophobicContact CD1-CG 4.31Å; I513-R515 HydrophobicContact CG1-CG 4.29Å; R515-S592 CarbonylContact O-C 3.58Å; R515-S592 WeakPolarHBondContact O-CA 3.26Å; R515-S592 VanDerWaalsContact O-CB 3.29Å; R515-S592 WeakPolarHBondContact O-CB 3.44Å; R515-E593 PolarHBondContact O-N 3.39Å
516T98.7Very high98.2Very high3 Ų316.2 Ų16.22%0.0188%0.084CC..EExtended strand (participates in β ladder)trans-109.6144.1169.264.20000110.6M424 Q425 F426 A518 E593 T595M424-T516 PolarHBondContact O-N 3.49Å; Q425-T516 WeakPolarHBondContact CB-OG1 3.43Å; Q425-T516 WeakPolarHBondContact CG-OG1 3.49Å; F426-T516 WeakPolarHBondContact CB-O 3.46Å; F426-T516 PolarHBondContact N-O 3.37Å; T516-A518 PolarHBondContact O-N 3.43Å; T516-E593 CarbonylContact C-O 3.42Å; T516-E593 WeakPolarHBondContact CA-O 3.44Å; T516-E593 WeakPolarHBondContact CB-O 3.38Å; T516-E593 HydrophobicContact CG2-CB 4.24Å; T516-T595 HydrophobicContact CG2-CG2 3.73Å
517M98.8Very high98.2Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-86.594.3165.8-170.365.171.500108F426 I486 L489 N490 H493 T519 T588 S592 E593 T595F426-M517 HydrophobicContact CB-SD 3.96Å; F426-M517 HydrophobicContact CD2-CE 4.1Å; I486-M517 HydrophobicContact CD1-CG 3.95Å; L489-M517 HydrophobicContact CB-CE 4.28Å; L489-M517 HydrophobicContact CB-CG 4.49Å; L489-M517 HydrophobicContact CB-SD 3.5Å; L489-M517 VanDerWaalsContact CB-SD 3.5Å; L489-M517 HydrophobicContact CD1-CG 3.96Å; L489-M517 HydrophobicContact CD1-SD 3.75Å; L489-M517 HydrophobicContact CG-SD 4.26Å; N490-M517 WeakPolarHBondContact OD1-CE 3.33Å; H493-M517 VanDerWaalsContact CD2-SD 3.58Å; M517-T519 PolarHBondContact O-N 3.02Å; M517-T519 VanDerWaalsContact O-N 3.12Å; M517-T588 HydrophobicContact CB-CG2 3.69Å; M517-T588 HydrophobicContact CE-CG2 4.1Å; M517-T588 HydrophobicContact CG-CG2 3.92Å; M517-S592 WeakPolarHBondContact CB-OG 3.37Å; M517-E593 PolarHBondContact N-O 3.41Å; M517-T595 PolarHBondContact O-N 3.25Å; M517-T595 VanDerWaalsContact O-N 3.1Å
518A98.6Very high98.2Very high1 Ų115.9 Ų15.91%0.0088%0.082CC..EExtended strand (participates in β ladder)trans-80.592.6-175.100000111Q425 F426 G428 T516 T595 D656Q425-A518 HydrophobicContact CB-CB 3.92Å; Q425-A518 HydrophobicContact CG-CB 4.49Å; F426-A518 WeakPolarHBondContact O-CB 3.37Å; F426-A518 PolarHBondContact O-N 2.89Å; G428-A518 WeakPolarHBondContact CA-O 3.49Å; G428-A518 PolarHBondContact N-O 2.87Å; T516-A518 PolarHBondContact O-N 3.43Å; A518-T595 WeakPolarHBondContact CA-OG1 3.28Å; A518-D656 HydrophobicContact CB-CB 4.32Å; A518-D656 VanDerWaalsContact CB-OD1 3.24Å; A518-D656 WeakPolarHBondContact CB-OD1 3.08Å
519T98.7Very high98.2Very high1 Ų115.9 Ų15.91%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-81.8161.1170.164.60000111.1Y485 I486 L489 M517 L583 T595 M596 S597Y485-T519 HydrophobicContact CD1-CG2 4.25Å; Y485-T519 HydrophobicContact CE1-CG2 3.99Å; I486-T519 HydrophobicContact CD1-CG2 3.78Å; L489-T519 HydrophobicContact CD1-CG2 3.94Å; M517-T519 PolarHBondContact O-N 3.02Å; M517-T519 VanDerWaalsContact O-N 3.12Å; T519-L583 HydrophobicContact CG2-CD1 4.26Å; T519-L583 HydrophobicContact CG2-CD2 3.86Å; T519-L583 WeakPolarHBondContact OG1-CD1 3.46Å; T519-T595 PolarHBondContact N-O 2.99Å; T519-T595 PolarHBondContact OG1-O 3.35Å; T519-M596 CarbonylContact O-C 3.6Å; T519-M596 VanDerWaalsContact O-CA 3.22Å; T519-M596 WeakPolarHBondContact O-CA 3.36Å; T519-S597 PolarHBondContact O-N 3.19Å; T519-S597 PolarHBondContact O-OG 2.77Å
520G98.2Very high98.2Very high0 Ų015.9 Ų15.90%08%0.082CC..EExtended strand (participates in β ladder)trans-138.1157.7173.200000112.4A429 R430 A431 Y485 S597A429-G520 WeakPolarHBondContact O-CA 3.3Å; A429-G520 PolarHBondContact O-N 2.76Å; R430-G520 CarbonylContact C-O 3.46Å; R430-G520 WeakPolarHBondContact CA-O 3.43Å; A431-G520 PolarHBondContact N-O 2.78Å; Y485-G520 PolarHBondContact OH-N 2.9Å; G520-S597 CarbonylContact C-O 3.42Å; G520-S597 VanDerWaalsContact CA-O 3.26Å; G520-S597 WeakPolarHBondContact CA-O 3.36Å
521I98.2Very high98.3Very high1 Ų113.7 Ų13.71%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-119.6142.5171.360.9169.7000111.3L433 L524 V576 F579 M596 S597 V598L433-I521 HydrophobicContact CD2-CD1 4.22Å; I521-L524 HydrophobicContact CD1-CB 4.36Å; I521-L524 HydrophobicContact CD1-CD1 4.13Å; I521-V576 HydrophobicContact CD1-CG2 3.89Å; I521-F579 HydrophobicContact CG2-CD1 3.37Å; I521-F579 HydrophobicContact CG2-CE1 3.56Å; I521-F579 HydrophobicContact CG2-CG 4.36Å; I521-M596 HydrophobicContact CD1-CE 4.49Å; I521-M596 HydrophobicContact CD1-SD 4.43Å; I521-M596 HydrophobicContact CG1-SD 4.45Å; I521-M596 HydrophobicContact CG2-CG 4.43Å; I521-M596 HydrophobicContact CG2-SD 3.78Å; I521-S597 PolarHBondContact N-O 3.03Å; I521-V598 HydrophobicContact CD1-CG1 4.4Å; I521-V598 HydrophobicContact CD1-CG2 4.01Å; I521-V598 HydrophobicContact CG1-CB 4.36Å; I521-V598 HydrophobicContact CG1-CG1 4.2Å; I521-V598 HydrophobicContact CG1-CG2 4.06Å
522A98.3Very high98.4Very high0 Ų012.7 Ų12.70%06%0.064CC..EExtended strand (participates in β ladder)trans-120.9145.8173.900000110.8R430 A431 L433 T600 Y607R430-A522 HydrophobicContact CB-CB 4.49Å; R430-A522 HydrophobicContact CG-CB 4.13Å; A431-A522 PolarHBondContact O-N 2.92Å; L433-A522 WeakPolarHBondContact CB-O 3.29Å; L433-A522 PolarHBondContact N-O 2.93Å; A522-T600 HydrophobicContact CB-CG2 3.77Å; A522-Y607 HydrophobicContact CB-CD2 3.6Å; A522-Y607 HydrophobicContact CB-CE2 3.87Å
523G97.9Very high98.6Very high1 Ų16.1 Ų6.11%0.013%0.033CC..  trans76.931.3178.400000113.8V526 A527G523-V526 PolarHBondContact O-N 2.69Å; G523-A527 PolarHBondContact O-N 2.88Å
524L98.7Very high98.6Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-57-51.8177.9176.762000111.5L433 I521 V526 A527 A528 A572 L575 V576 V598 I649L433-L524 HydrophobicContact CD2-CD1 4.28Å; I521-L524 HydrophobicContact CD1-CB 4.36Å; I521-L524 HydrophobicContact CD1-CD1 4.13Å; L524-V526 VanDerWaalsContact C-N 3.32Å; L524-V526 PolarHBondContact O-N 2.86Å; L524-A527 PolarHBondContact O-N 3.12Å; L524-A528 WeakPolarHBondContact O-CB 3.43Å; L524-A528 PolarHBondContact O-N 3.09Å; L524-A572 HydrophobicContact CD1-CB 4.38Å; L524-A572 HydrophobicContact CG-CB 4.39Å; L524-L575 HydrophobicContact CD1-CB 4.14Å; L524-L575 HydrophobicContact CD1-CD1 4.25Å; L524-V576 HydrophobicContact CD1-CG2 4.06Å; L524-V576 HydrophobicContact CD2-CG2 3.95Å; L524-V598 HydrophobicContact CB-CG1 4.03Å; L524-V598 HydrophobicContact CD2-CG1 3.67Å; L524-V598 HydrophobicContact CD2-CG2 4.27Å; L524-I649 HydrophobicContact CD2-CD1 4.04Å
525S98.5Very high98.6Very high1 Ų16.6 Ų6.61%0.0073%0.029CC..Hα-helixtrans-64.4-35.8179.549.40000112.6A528 D529 A625 N629S525-A528 PolarHBondContact O-N 2.91Å; S525-D529 WeakPolarHBondContact O-CB 3.32Å; S525-D529 VanDerWaalsContact O-CG 3.26Å; S525-D529 PolarHBondContact O-N 2.79Å; S525-A625 WeakPolarHBondContact OG-CB 3.28Å; S525-N629 VanDerWaalsContact CB-O 3.24Å; S525-N629 WeakPolarHBondContact CB-O 3.29Å; S525-N629 PolarHBondContact OG-O 3.24Å
526V98.8Very high98.6Very high0 Ų09.2 Ų9.20%04%0.04CC..Hα-helixtrans-62.8-44.8173.9178.60000111A434 G523 L524 S530 T614 F624 M631A434-V526 HydrophobicContact CB-CB 4Å; A434-V526 HydrophobicContact CB-CG1 3.67Å; G523-V526 PolarHBondContact O-N 2.69Å; L524-V526 VanDerWaalsContact C-N 3.32Å; L524-V526 PolarHBondContact O-N 2.86Å; V526-S530 WeakPolarHBondContact O-CB 3.36Å; V526-S530 PolarHBondContact O-N 2.63Å; V526-S530 PolarHBondContact O-OG 3.37Å; V526-T614 HydrophobicContact CG1-CG2 3.98Å; V526-F624 HydrophobicContact CG2-CB 4.34Å; V526-F624 HydrophobicContact CG2-CD1 3.77Å; V526-F624 HydrophobicContact CG2-CE1 4.34Å; V526-F624 HydrophobicContact CG2-CG 4.16Å; V526-M631 HydrophobicContact CG2-CE 4.47Å; V526-M631 HydrophobicContact CG2-CG 3.78Å; V526-M631 HydrophobicContact CG2-SD 3.47Å; V526-M631 WeakPolarHBondContact CG2-SD 3.48Å
527A98.8Very high98.6Very high0 Ų09.8 Ų9.80%05%0.045CC..Hα-helixtrans-66.8-44.9177.700000111.9L433 G523 L524 S530 L531 L575L433-A527 HydrophobicContact CD2-CB 4.26Å; L433-A527 HydrophobicContact CG-CB 4.15Å; G523-A527 PolarHBondContact O-N 2.88Å; L524-A527 PolarHBondContact O-N 3.12Å; A527-S530 PolarHBondContact O-N 3.23Å; A527-L531 WeakPolarHBondContact O-CG 3.32Å; A527-L531 PolarHBondContact O-N 2.85Å; A527-L575 HydrophobicContact CB-CD1 3.84Å
528A98.8Very high98.6Very high0 Ų014.4 Ų14.40%07%0.067CC..Hα-helixtrans-63.1-48.2178.600000112L524 S525 S530 L531 S532 V568 I571 A572L524-A528 WeakPolarHBondContact O-CB 3.43Å; L524-A528 PolarHBondContact O-N 3.09Å; S525-A528 PolarHBondContact O-N 2.91Å; A528-S530 VanDerWaalsContact C-N 3.3Å; A528-S530 PolarHBondContact O-N 2.81Å; A528-L531 PolarHBondContact O-N 3.03Å; A528-S532 WeakPolarHBondContact O-CB 3.34Å; A528-S532 PolarHBondContact O-N 3.48Å; A528-V568 HydrophobicContact CB-CG2 4.37Å; A528-I571 HydrophobicContact CB-CG2 4.29Å; A528-A572 HydrophobicContact CB-CB 3.88Å
529D98.9Very high98.6Very high0 Ų014.4 Ų14.40%07%0.066CC..Hα-helixtrans-66.1-33.5177.6-72.9-8.3000111.8S525 S532 A533 F558 K560 Y561 D616 R634S525-D529 WeakPolarHBondContact O-CB 3.32Å; S525-D529 VanDerWaalsContact O-CG 3.26Å; S525-D529 PolarHBondContact O-N 2.79Å; D529-S532 WeakPolarHBondContact O-CB 3.03Å; D529-S532 PolarHBondContact O-N 2.79Å; D529-A533 WeakPolarHBondContact O-CB 3.38Å; D529-A533 PolarHBondContact O-N 2.84Å; D529-F558 HydrophobicContact CB-CE2 4.28Å; D529-K560 WeakPolarHBondContact OD1-CA 3.35Å; D529-Y561 WeakPolarHBondContact OD1-CB 3.37Å; D529-Y561 PolarHBondContact OD1-N 3.15Å; D529-D616 HydrophobicContact CB-CB 3.74Å; D529-R634 VanDerWaalsContact CB-NH1 3.32Å; D529-R634 VanDerWaalsContact OD2-CD 3.27Å; D529-R634 WeakPolarHBondContact OD2-CD 3.43Å; D529-R634 IonicContact OD2-CZ 3.25Å; D529-R634 IonicContact OD2-NE 3.29Å; D529-R634 IonicContact OD2-NH1 2.94Å; D529-R634 PolarHBondContact OD2-NH1 2.87Å
530S98.9Very high98.6Very high0 Ų017.4 Ų17.40%08%0.079CC..Hα-helixtrans-66-44.9177-69.40000111L437 V526 A527 A528 S532 A533 I534 P615 D616L437-S530 VanDerWaalsContact CD2-CB 3.46Å; V526-S530 WeakPolarHBondContact O-CB 3.36Å; V526-S530 PolarHBondContact O-N 2.63Å; V526-S530 PolarHBondContact O-OG 3.37Å; A527-S530 PolarHBondContact O-N 3.23Å; A528-S530 VanDerWaalsContact C-N 3.3Å; A528-S530 PolarHBondContact O-N 2.81Å; S530-S532 VanDerWaalsContact C-N 3.33Å; S530-A533 PolarHBondContact O-N 3.11Å; S530-I534 WeakPolarHBondContact O-CD1 3.45Å; S530-I534 VanDerWaalsContact O-CG1 3.23Å; S530-I534 WeakPolarHBondContact O-CG1 3.06Å; S530-I534 PolarHBondContact O-N 3.09Å; S530-I534 VanDerWaalsContact O-N 3.1Å; S530-P615 WeakPolarHBondContact OG-CD 3.27Å; S530-D616 WeakPolarHBondContact OG-CB 3.33Å; S530-D616 PolarHBondContact OG-N 3.35Å
531L98.9Very high98.6Very high0 Ų018.3 Ų18.30%09%0.085CC..Hα-helixtrans-66-36.6174.6-73.9175.8000111.8L437 Y467 V470 F471 F474 A527 A528 I534 K535 I571 L575L437-L531 HydrophobicContact CD1-CD2 4.28Å; Y467-L531 HydrophobicContact CE2-CB 4.08Å; Y467-L531 HydrophobicContact CE2-CD2 4.28Å; V470-L531 HydrophobicContact CG1-CD2 4.27Å; F471-L531 HydrophobicContact CD2-CD1 3.87Å; F471-L531 HydrophobicContact CD2-CD2 4.09Å; F471-L531 HydrophobicContact CE2-CD1 4.01Å; F474-L531 HydrophobicContact CD1-CD1 4.23Å; F474-L531 HydrophobicContact CE1-CD1 4.19Å; A527-L531 WeakPolarHBondContact O-CG 3.32Å; A527-L531 PolarHBondContact O-N 2.85Å; A528-L531 PolarHBondContact O-N 3.03Å; L531-I534 PolarHBondContact O-N 3.11Å; L531-K535 WeakPolarHBondContact O-CB 3.39Å; L531-K535 PolarHBondContact O-N 3.32Å; L531-I571 HydrophobicContact CB-CD1 4.35Å; L531-I571 HydrophobicContact CB-CG2 3.84Å; L531-I571 HydrophobicContact CD1-CG2 3.69Å; L531-I571 HydrophobicContact CG-CG2 4.44Å; L531-L575 HydrophobicContact CD1-CD1 4.12Å; L531-L575 HydrophobicContact CD1-CD2 3.96Å; L531-L575 HydrophobicContact CD1-CG 4.32Å
532S98.8Very high98.6Very high0 Ų021.9 Ų21.90%010%0.104CC..Hα-helixtrans-63.5-45.5173.9-175.10000112.1A528 D529 S530 I534 K535 Y536 P559A528-S532 WeakPolarHBondContact O-CB 3.34Å; A528-S532 PolarHBondContact O-N 3.48Å; D529-S532 WeakPolarHBondContact O-CB 3.03Å; D529-S532 PolarHBondContact O-N 2.79Å; S530-S532 VanDerWaalsContact C-N 3.33Å; S532-I534 VanDerWaalsContact C-N 3.33Å; S532-I534 PolarHBondContact O-N 3.39Å; S532-K535 PolarHBondContact O-N 2.78Å; S532-K535 VanDerWaalsContact O-N 3.12Å; S532-Y536 WeakPolarHBondContact O-CD2 3.43Å; S532-Y536 PolarHBondContact O-N 3.39Å; S532-P559 WeakPolarHBondContact CB-O 3.43Å; S532-P559 WeakPolarHBondContact OG-CD 3.38Å; S532-P559 PolarHBondContact OG-O 2.83Å
533A98.8Very high98.5Very high0 Ų025.8 Ų25.80%012%0.118CC..Hα-helixtrans-58.3-45.4175.400000111.4D529 S530 K535 A537 V539 F558 P615D529-A533 WeakPolarHBondContact O-CB 3.38Å; D529-A533 PolarHBondContact O-N 2.84Å; S530-A533 PolarHBondContact O-N 3.11Å; A533-K535 VanDerWaalsContact C-N 3.28Å; A533-K535 PolarHBondContact O-N 3.02Å; A533-A537 CarbonylContact O-C 3.49Å; A533-A537 WeakPolarHBondContact O-CA 3.46Å; A533-A537 WeakPolarHBondContact O-CB 3.13Å; A533-A537 PolarHBondContact O-N 3.38Å; A533-V539 HydrophobicContact CB-CG2 3.94Å; A533-F558 HydrophobicContact CB-CD1 3.87Å; A533-F558 HydrophobicContact CB-CD2 3.87Å; A533-F558 HydrophobicContact CB-CE1 3.9Å; A533-F558 HydrophobicContact CB-CE2 3.9Å; A533-F558 HydrophobicContact CB-CG 3.86Å; A533-F558 HydrophobicContact CB-CZ 3.92Å; A533-P615 WeakPolarHBondContact CB-O 3.19Å
534I98.8Very high98.4Very high8 Ų828.3 Ų28.34%0.04113%0.131CC..Hα-helixtrans-64.1-33.8177.3-66.1164.3000111.8L465 V470 S530 L531 S532 V539 P615L465-I534 HydrophobicContact CB-CD1 4.44Å; L465-I534 HydrophobicContact CB-CG1 4.11Å; L465-I534 HydrophobicContact CB-CG2 3.9Å; L465-I534 HydrophobicContact CD1-CD1 3.75Å; L465-I534 HydrophobicContact CD1-CG1 3.92Å; V470-I534 HydrophobicContact CB-CD1 4.49Å; V470-I534 HydrophobicContact CG1-CD1 4Å; V470-I534 HydrophobicContact CG2-CD1 4.21Å; V470-I534 HydrophobicContact CG2-CG2 4.3Å; S530-I534 WeakPolarHBondContact O-CD1 3.45Å; S530-I534 VanDerWaalsContact O-CG1 3.23Å; S530-I534 WeakPolarHBondContact O-CG1 3.06Å; S530-I534 PolarHBondContact O-N 3.09Å; S530-I534 VanDerWaalsContact O-N 3.1Å; L531-I534 PolarHBondContact O-N 3.11Å; S532-I534 VanDerWaalsContact C-N 3.33Å; S532-I534 PolarHBondContact O-N 3.39Å; I534-V539 HydrophobicContact CG1-CB 4.15Å; I534-V539 HydrophobicContact CG1-CG2 3.98Å; I534-P615 HydrophobicContact CD1-CB 3.84Å; I534-P615 HydrophobicContact CD1-CG 4.04Å; I534-P615 HydrophobicContact CG1-CB 4.03Å
535K98.6Very high98.3Very high92 Ų9237.6 Ų37.640%0.418%0.175SC..Hα-helixtrans-82.2-34.8-176.4-165.7170.8-177179.70113.9Y467 L531 S532 A533Y467-K535 HydrophobicContact CD1-CD 4.45Å; Y467-K535 HydrophobicContact CD2-CB 3.61Å; Y467-K535 HydrophobicContact CD2-CD 3.87Å; Y467-K535 HydrophobicContact CD2-CG 3.95Å; Y467-K535 HydrophobicContact CE1-CD 4.45Å; Y467-K535 HydrophobicContact CE2-CB 4.18Å; Y467-K535 HydrophobicContact CE2-CD 3.79Å; Y467-K535 HydrophobicContact CE2-CG 4.38Å; Y467-K535 HydrophobicContact CG-CB 4.13Å; Y467-K535 HydrophobicContact CG-CD 4.19Å; Y467-K535 HydrophobicContact CG-CG 4.1Å; L531-K535 WeakPolarHBondContact O-CB 3.39Å; L531-K535 PolarHBondContact O-N 3.32Å; S532-K535 PolarHBondContact O-N 2.78Å; S532-K535 VanDerWaalsContact O-N 3.12Å; A533-K535 VanDerWaalsContact C-N 3.28Å; A533-K535 PolarHBondContact O-N 3.02Å
536Y98.6Very high97.9Very high85 Ų8544.6 Ų44.633%0.33321%0.207SC..Hα-helixtrans-118.1-10.8-167.9-61.2-67.4000114.2S532 P559 R567S532-Y536 WeakPolarHBondContact O-CD2 3.43Å; S532-Y536 PolarHBondContact O-N 3.39Å; Y536-P559 HydrophobicContact CD2-CG 4.02Å; Y536-P559 HydrophobicContact CE2-CG 4.45Å; Y536-P559 HydrophobicContact CG-CG 4.34Å; Y536-R567 HydrophobicContact CE2-CB 3.82Å
537A98.4Very high97.6Very high16 Ų1646.3 Ų46.313%0.13223%0.225CC..SBendtrans-124.8-178.3170.600000110A533 I554 F558A533-A537 CarbonylContact O-C 3.49Å; A533-A537 WeakPolarHBondContact O-CA 3.46Å; A533-A537 WeakPolarHBondContact O-CB 3.13Å; A533-A537 PolarHBondContact O-N 3.38Å; A537-I554 HydrophobicContact CB-CG2 3.98Å; A537-F558 HydrophobicContact CB-CB 4.31Å; A537-F558 HydrophobicContact CB-CD1 4.46Å
538Q98.3Very high97.5Very high97 Ų9747 Ų4745%0.45323%0.229SC..EExtended strand (participates in β ladder)trans-101.4115.4171.1-65.7-171.40.200109.8V464 I554 E555V464-Q538 HydrophobicContact CG1-CB 4.29Å; Q538-I554 WeakPolarHBondContact O-CA 3.45Å; Q538-E555 HydrophobicContact CB-CB 4.25Å; Q538-E555 PolarHBondContact N-O 3.36Å; Q538-E555 PolarHBondContact O-N 3.11Å
539V98.7Very high97.5Very high0 Ų047.1 Ų47.10%023%0.23CC..EExtended strand (participates in β ladder)trans-107.5113.8178.6-174.80000109.8L465 A533 I534 F552 E553 I554 P615L465-V539 HydrophobicContact CB-CB 4.47Å; L465-V539 HydrophobicContact CD1-CB 4.39Å; L465-V539 HydrophobicContact CD1-CG1 3.99Å; L465-V539 PolarHBondContact N-O 3.48Å; A533-V539 HydrophobicContact CB-CG2 3.94Å; I534-V539 HydrophobicContact CG1-CB 4.15Å; I534-V539 HydrophobicContact CG1-CG2 3.98Å; V539-F552 HydrophobicContact CG1-CB 3.94Å; V539-F552 HydrophobicContact CG1-CD1 3.8Å; V539-F552 HydrophobicContact CG1-CG 4.2Å; V539-E553 CarbonylContact C-O 3.49Å; V539-E553 WeakPolarHBondContact CA-O 3.29Å; V539-I554 HydrophobicContact CG2-CG1 4.38Å; V539-I554 HydrophobicContact CG2-CG2 4.46Å; V539-P615 HydrophobicContact CG1-CB 4.18Å
540K98.5Very high97.4Very high64 Ų6449.4 Ų49.428%0.27824%0.243SC..EExtended strand (participates in β ladder)trans-99.6118.9179-65.6171.9-168.11540110.2E463 V464 F552 E553 E555E463-K540 WeakPolarHBondContact O-CA 3.36Å; V464-K540 HydrophobicContact CG2-CG 4.06Å; K540-F552 WeakPolarHBondContact O-CA 3.2Å; K540-E553 HydrophobicContact CB-CB 4.35Å; K540-E553 PolarHBondContact N-O 3.11Å; K540-E553 PolarHBondContact O-N 2.82Å; K540-E555 IonicContact NZ-OE2 2.85Å; K540-E555 PolarHBondContact NZ-OE2 3.49Å
541P98.3Very high97.4Very high19 Ų1951.6 Ų51.612%0.12326%0.255CS..EExtended strand (participates in β ladder)trans-67.5130.1175.1-20.934.3000112.2E463 L465 V549E463-P541 WeakPolarHBondContact O-CD 3.44Å; L465-P541 HydrophobicContact CD1-CG 4.33Å; L465-P541 HydrophobicContact CD2-CG 3.47Å; L465-P541 VanDerWaalsContact CD2-CG 3.47Å; L465-P541 HydrophobicContact CG-CG 3.65Å; P541-V549 HydrophobicContact CB-CB 4.4Å; P541-V549 HydrophobicContact CB-CG1 3.72Å; P541-V549 HydrophobicContact CB-CG2 3.74Å
542I98Very high97.4Very high77 Ų7752.2 Ų52.240%0.39526%0.258SS..EExtended strand (participates in β ladder)trans-97.2120.4169.9-55.1-179.3000108.2V549 V550 D551I542-V549 WeakPolarHBondContact O-CA 3.23Å; I542-V550 PolarHBondContact O-N 3.29Å; I542-D551 HydrophobicContact CB-CB 3.98Å; I542-D551 HydrophobicContact CD1-CB 4.15Å; I542-D551 HydrophobicContact CG1-CB 4.44Å; I542-D551 PolarHBondContact N-O 2.88Å; I542-D551 PolarHBondContact O-N 3.49Å
543R97.4Very high97.4Very high81 Ų8157.4 Ų57.431%0.30628%0.282SS..EExtended strand (participates in β ladder)trans-104.1146.3-175.9-61.5174.5-164.7-85.8-4.8111.4I460 G547 L548 V549I460-R543 PolarHBondContact O-NH1 3.42Å; I460-R543 PolarHBondContact O-NH2 3.26Å; R543-G547 PolarHBondContact NH1-O 3.33Å; R543-L548 CarbonylContact C-O 3.54Å; R543-L548 WeakPolarHBondContact CA-O 3.29Å; R543-V549 HydrophobicContact CG-CG2 4.01Å
544N96Very high97.3Very high54 Ų5459.8 Ų59.829%0.28929%0.294SS..  trans-81-176.7168.575.6-4.2000111.5E546 G547 L548 V550N544-E546 PolarHBondContact ND2-OE2 3.2Å; N544-E546 PolarHBondContact O-N 3.1Å; N544-E546 PolarHBondContact OD1-N 3.12Å; N544-E546 VanDerWaalsContact OD1-N 3.12Å; N544-E546 PolarHBondContact OD1-OE2 3.02Å; N544-G547 PolarHBondContact O-N 2.94Å; N544-G547 PolarHBondContact OD1-N 2.98Å; N544-L548 PolarHBondContact N-O 2.65Å; N544-L548 VanDerWaalsContact OD1-CB 3.3Å; N544-L548 WeakPolarHBondContact OD1-CB 3.49Å; N544-L548 PolarHBondContact OD1-N 3.02Å; N544-L548 PolarHBondContact OD1-O 2.94Å; N544-V550 HydrophobicContact CB-CG1 4.2Å; N544-V550 HydrophobicContact CB-CG2 4.21Å
545E94.5Very high97.3Very high195 Ų19564.5 Ų64.591%0.91132%0.316SS*.THydrogen-bonded Turntrans-61.7-28.9-178.3-63.1-176.2-177.400113.2G547E545-G547 VanDerWaalsContact C-N 3.28Å; E545-G547 PolarHBondContact O-N 2.87Å
546E91.2Very high97.3Very high148 Ų14862.8 Ų62.869%0.69232%0.324SS*.THydrogen-bonded Turntrans-84.22.5176-57.882.1-171.900113.8N544 L548N544-E546 PolarHBondContact ND2-OE2 3.2Å; N544-E546 PolarHBondContact O-N 3.1Å; N544-E546 PolarHBondContact OD1-N 3.12Å; N544-E546 VanDerWaalsContact OD1-N 3.12Å; N544-E546 PolarHBondContact OD1-OE2 3.02Å; E546-L548 VanDerWaalsContact C-N 3.3Å; E546-L548 PolarHBondContact O-N 3.12Å
547G93.1Very high97.2Very high36 Ų3664.6 Ų64.637%0.37134%0.34SS..SBendtrans80.55.7-179.200000114.8R543 N544 E545R543-G547 PolarHBondContact NH1-O 3.33Å; N544-G547 PolarHBondContact O-N 2.94Å; N544-G547 PolarHBondContact OD1-N 2.98Å; E545-G547 VanDerWaalsContact C-N 3.28Å; E545-G547 PolarHBondContact O-N 2.87Å
548L96.3Very high97.2Very high15 Ų1564.8 Ų64.88%0.07934%0.338CS..  trans-74.1131.4176.7-168.171.4000109.6N442 K445 R543 N544 E546 V550N442-L548 HydrophobicContact CB-CD1 3.72Å; N442-L548 VanDerWaalsContact CG-CD1 3.46Å; K445-L548 HydrophobicContact CB-CD1 3.82Å; K445-L548 HydrophobicContact CD-CD1 4.34Å; R543-L548 CarbonylContact C-O 3.54Å; R543-L548 WeakPolarHBondContact CA-O 3.29Å; N544-L548 PolarHBondContact N-O 2.65Å; N544-L548 VanDerWaalsContact OD1-CB 3.3Å; N544-L548 WeakPolarHBondContact OD1-CB 3.49Å; N544-L548 PolarHBondContact OD1-N 3.02Å; N544-L548 PolarHBondContact OD1-O 2.94Å; E546-L548 VanDerWaalsContact C-N 3.3Å; E546-L548 PolarHBondContact O-N 3.12Å; L548-V550 HydrophobicContact CD2-CG1 4.34Å; L548-V550 HydrophobicContact CG-CG1 4.44Å; L548-V550 PolarHBondContact O-N 2.86Å
549V98.1Very high97.2Very high3 Ų360.6 Ų60.62%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-73.6119.5174-177.50000108.9I441 N442 P541 I542 R543 F552I441-V549 HydrophobicContact CG2-CB 4.07Å; I441-V549 HydrophobicContact CG2-CG1 4.35Å; I441-V549 HydrophobicContact CG2-CG2 3.81Å; N442-V549 PolarHBondContact ND2-O 3.5Å; N442-V549 VanDerWaalsContact OD1-CB 3.29Å; N442-V549 WeakPolarHBondContact OD1-CB 3.48Å; N442-V549 PolarHBondContact OD1-N 2.97Å; P541-V549 HydrophobicContact CB-CB 4.4Å; P541-V549 HydrophobicContact CB-CG1 3.72Å; P541-V549 HydrophobicContact CB-CG2 3.74Å; I542-V549 WeakPolarHBondContact O-CA 3.23Å; R543-V549 HydrophobicContact CG-CG2 4.01Å; V549-F552 HydrophobicContact CG1-CD1 4.21Å; V549-F552 HydrophobicContact CG1-CE1 3.47Å; V549-F552 VanDerWaalsContact CG1-CE1 3.47Å; V549-F552 HydrophobicContact CG1-CE2 4.25Å; V549-F552 HydrophobicContact CG1-CZ 3.49Å; V549-F552 VanDerWaalsContact CG1-CZ 3.49Å
550V97.8Very high97.2Very high47 Ų4763.2 Ų63.229%0.28533%0.33SS..EExtended strand (participates in β ladder)trans-121.5-16.7-175.9-65.50000113.2I542 N544 L548 N613I542-V550 PolarHBondContact O-N 3.29Å; N544-V550 HydrophobicContact CB-CG1 4.2Å; N544-V550 HydrophobicContact CB-CG2 4.21Å; L548-V550 HydrophobicContact CD2-CG1 4.34Å; L548-V550 HydrophobicContact CG-CG1 4.44Å; L548-V550 PolarHBondContact O-N 2.86Å; V550-N613 PolarHBondContact O-ND2 2.95Å
551D98.3Very high97.2Very high46 Ų4660.1 Ų60.125%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-151173175.8-152.1-10.4000111.2I542 N613 K619I542-D551 HydrophobicContact CB-CB 3.98Å; I542-D551 HydrophobicContact CD1-CB 4.15Å; I542-D551 HydrophobicContact CG1-CB 4.44Å; I542-D551 PolarHBondContact N-O 2.88Å; I542-D551 PolarHBondContact O-N 3.49Å; D551-N613 HydrophobicContact CB-CB 4.44Å; D551-N613 VanDerWaalsContact CG-ND2 3.3Å; D551-N613 WeakPolarHBondContact OD1-CB 3.38Å; D551-N613 VanDerWaalsContact OD1-CG 3.31Å; D551-N613 PolarHBondContact OD1-ND2 3.14Å; D551-K619 IonicContact OD1-NZ 3.64Å
552F98.5Very high97.2Very high13 Ų1359.2 Ų59.26%0.05731%0.311CS..EExtended strand (participates in β ladder)trans-139.9136.7-177.9-57.6-85.7000111L438 I441 L465 V539 K540 V549 N613 P615L438-F552 HydrophobicContact CD2-CE2 3.93Å; L438-F552 HydrophobicContact CD2-CZ 3.95Å; I441-F552 HydrophobicContact CD1-CE1 4.14Å; I441-F552 HydrophobicContact CD1-CZ 3.99Å; L465-F552 HydrophobicContact CD1-CD1 4.16Å; L465-F552 HydrophobicContact CD1-CE1 3.89Å; V539-F552 HydrophobicContact CG1-CB 3.94Å; V539-F552 HydrophobicContact CG1-CD1 3.8Å; V539-F552 HydrophobicContact CG1-CG 4.2Å; K540-F552 WeakPolarHBondContact O-CA 3.2Å; V549-F552 HydrophobicContact CG1-CD1 4.21Å; V549-F552 HydrophobicContact CG1-CE1 3.47Å; V549-F552 VanDerWaalsContact CG1-CE1 3.47Å; V549-F552 HydrophobicContact CG1-CE2 4.25Å; V549-F552 HydrophobicContact CG1-CZ 3.49Å; V549-F552 VanDerWaalsContact CG1-CZ 3.49Å; F552-N613 HydrophobicContact CD2-CB 4.47Å; F552-N613 WeakPolarHBondContact CE2-O 3.48Å; F552-P615 HydrophobicContact CD1-CG 4.28Å; F552-P615 HydrophobicContact CD2-CG 4.37Å; F552-P615 HydrophobicContact CE1-CG 3.95Å; F552-P615 HydrophobicContact CE2-CG 4.06Å; F552-P615 HydrophobicContact CG-CG 4.48Å; F552-P615 HydrophobicContact CZ-CG 3.83Å
553E98.4Very high97.2Very high110 Ų11056.2 Ų56.251%0.51430%0.296SS..EExtended strand (participates in β ladder)trans-101.3129.7167-174.7-178.5-176.700109.1V539 K540V539-E553 CarbonylContact C-O 3.49Å; V539-E553 WeakPolarHBondContact CA-O 3.29Å; K540-E553 HydrophobicContact CB-CB 4.35Å; K540-E553 PolarHBondContact N-O 3.11Å; K540-E553 PolarHBondContact O-N 2.82Å
554I98.4Very high97.2Very high50 Ų5056 Ų5626%0.25630%0.301SS..EExtended strand (participates in β ladder)trans-113.7119.2-177.9-51.2171.3000108.5A537 Q538 V539 F558 P615A537-I554 HydrophobicContact CB-CG2 3.98Å; Q538-I554 WeakPolarHBondContact O-CA 3.45Å; V539-I554 HydrophobicContact CG2-CG1 4.38Å; V539-I554 HydrophobicContact CG2-CG2 4.46Å; I554-F558 HydrophobicContact CD1-CE1 4.39Å; I554-F558 HydrophobicContact CG2-CD1 4.36Å; I554-F558 HydrophobicContact CG2-CE1 4.32Å; I554-P615 WeakPolarHBondContact CD1-O 3.44Å
555E98.3Very high97.3Very high106 Ų10654.8 Ų54.850%0.49529%0.294SS..EExtended strand (participates in β ladder)trans-111.3113.2175.3-174.7178.9174.700109.6Q538 K540Q538-E555 HydrophobicContact CB-CB 4.25Å; Q538-E555 PolarHBondContact N-O 3.36Å; Q538-E555 PolarHBondContact O-N 3.11Å; K540-E555 IonicContact NZ-OE2 2.85Å; K540-E555 PolarHBondContact NZ-OE2 3.49Å
556G97.2Very high97.5Very high56 Ų5649.9 Ų49.958%0.57727%0.274SS*.SBendtrans111.2168-174.200000113.3
557D96.9Very high97.9Very high124 Ų12448.6 Ų48.666%0.66326%0.263SS*.  trans-100.5155.9172.7-167.224.2000110.2K560D557-K560 IonicContact OD1-NZ 2.95Å
558F98.4Very high98.1Very high19 Ų1946.9 Ų46.98%0.08325%0.246CC..  trans-144.5153.2-176.763.9-85000111.7D529 A533 A537 I554 K560D529-F558 HydrophobicContact CB-CE2 4.28Å; A533-F558 HydrophobicContact CB-CD1 3.87Å; A533-F558 HydrophobicContact CB-CD2 3.87Å; A533-F558 HydrophobicContact CB-CE1 3.9Å; A533-F558 HydrophobicContact CB-CE2 3.9Å; A533-F558 HydrophobicContact CB-CG 3.86Å; A533-F558 HydrophobicContact CB-CZ 3.92Å; A537-F558 HydrophobicContact CB-CB 4.31Å; A537-F558 HydrophobicContact CB-CD1 4.46Å; I554-F558 HydrophobicContact CD1-CE1 4.39Å; I554-F558 HydrophobicContact CG2-CD1 4.36Å; I554-F558 HydrophobicContact CG2-CE1 4.32Å; F558-K560 HydrophobicContact CD2-CG 4.25Å; F558-K560 HydrophobicContact CE2-CG 3.81Å; F558-K560 HydrophobicContact CZ-CG 4.37Å
559P98.4Very high98.2Very high10 Ų1046.2 Ų46.27%0.06524%0.242CC..  trans-64.3134.3176.6-19.332.9000111.5S532 Y536 R567 V568S532-P559 WeakPolarHBondContact CB-O 3.43Å; S532-P559 WeakPolarHBondContact OG-CD 3.38Å; S532-P559 PolarHBondContact OG-O 2.83Å; Y536-P559 HydrophobicContact CD2-CG 4.02Å; Y536-P559 HydrophobicContact CE2-CG 4.45Å; Y536-P559 HydrophobicContact CG-CG 4.34Å; P559-R567 HydrophobicContact CB-CB 4.4Å; P559-R567 HydrophobicContact CG-CB 4.08Å; P559-V568 HydrophobicContact CB-CB 4.11Å; P559-V568 HydrophobicContact CB-CG1 3.81Å
560K98.6Very high98.3Very high54 Ų5450.7 Ų50.724%0.23527%0.266CS..  trans-111.8135.6177.1-64.3154.3-172.3142.80110D529 D557 F558 N563 V568 R634D529-K560 WeakPolarHBondContact OD1-CA 3.35Å; D557-K560 IonicContact OD1-NZ 2.95Å; F558-K560 HydrophobicContact CD2-CG 4.25Å; F558-K560 HydrophobicContact CE2-CG 3.81Å; F558-K560 HydrophobicContact CZ-CG 4.37Å; K560-N563 PolarHBondContact O-ND2 2.95Å; K560-V568 VanDerWaalsContact C-CG1 3.49Å; K560-R634 HydrophobicContact CB-CB 4.09Å; K560-R634 HydrophobicContact CD-CB 4.18Å; K560-R634 HydrophobicContact CD-CG 4.22Å
561Y98.6Very high98.3Very high0 Ų048.7 Ų48.70%025%0.254CS..THydrogen-bonded Turntrans-55.4141.7177.5175.7-105.3000110.8D529 D569 A572 A628 P630 V646 I649D529-Y561 WeakPolarHBondContact OD1-CB 3.37Å; D529-Y561 PolarHBondContact OD1-N 3.15Å; Y561-D569 WeakPolarHBondContact CD2-OD1 3.4Å; Y561-A572 HydrophobicContact CD2-CB 3.91Å; Y561-A572 HydrophobicContact CE2-CB 3.86Å; Y561-A628 VanDerWaalsContact CE1-O 3.3Å; Y561-A628 WeakPolarHBondContact CE1-O 3.41Å; Y561-A628 PolarHBondContact OH-O 3.4Å; Y561-P630 HydrophobicContact CD1-CB 4.38Å; Y561-P630 HydrophobicContact CD1-CG 4.17Å; Y561-P630 HydrophobicContact CE1-CG 4.24Å; Y561-P630 WeakPolarHBondContact O-CB 3.48Å; Y561-V646 HydrophobicContact CE1-CG2 4.44Å; Y561-V646 WeakPolarHBondContact OH-CA 3.43Å; Y561-I649 HydrophobicContact CE2-CD1 4.31Å; Y561-I649 WeakPolarHBondContact OH-CG1 3.35Å
562G97.8Very high98.3Very high0 Ų046.5 Ų46.50%024%0.242CC..THydrogen-bonded Turntrans989.5-175.800000115.6P630 D635 S642 S645G562-P630 VanDerWaalsContact CA-CG 3.45Å; G562-D635 WeakPolarHBondContact O-CB 3.42Å; G562-S642 VanDerWaalsContact O-CA 3.25Å; G562-S642 WeakPolarHBondContact O-CA 3.26Å; G562-S642 PolarHBondContact O-N 2.82Å; G562-S645 WeakPolarHBondContact CA-OG 3.38Å; G562-S645 PolarHBondContact N-OG 2.9Å
563N98.1Very high98.4Very high14 Ų1447 Ų478%0.07525%0.246CC..SBendtrans-120.819.7-177.6-67.3-74.6000113.4K560 D565 R634 Q636 K637 S645K560-N563 PolarHBondContact O-ND2 2.95Å; N563-D565 VanDerWaalsContact C-N 3.32Å; N563-D565 PolarHBondContact O-N 2.86Å; N563-R634 PolarHBondContact ND2-O 3.03Å; N563-R634 PolarHBondContact OD1-O 3.31Å; N563-Q636 PolarHBondContact OD1-N 3.5Å; N563-K637 HydrophobicContact CB-CD 4.11Å; N563-K637 HydrophobicContact CB-CG 4.21Å; N563-K637 WeakPolarHBondContact O-CD 3.29Å; N563-K637 PolarHBondContact O-NZ 3.43Å; N563-K637 PolarHBondContact OD1-N 2.95Å; N563-S645 PolarHBondContact N-OG 3.16Å
564N97.9Very high98.4Very high76 Ų7643.7 Ų43.741%0.40623%0.232SC..SBendtrans46.355-173.7-166.624.5000111.7D569 S645 K648N564-D569 WeakPolarHBondContact CA-OD2 3.49Å; N564-S645 VanDerWaalsContact CA-OG 3.3Å; N564-S645 WeakPolarHBondContact CA-OG 3.45Å; N564-S645 PolarHBondContact N-OG 2.81Å; N564-K648 WeakPolarHBondContact OD1-CE 3.21Å; N564-K648 PolarHBondContact OD1-NZ 2.99Å
565D98.6Very high98.4Very high29 Ų2941.3 Ų41.316%0.15522%0.22CC..  trans-123.3105.2179.9-166.5-41.5000108.7N563 R567 V568 D569N563-D565 VanDerWaalsContact C-N 3.32Å; N563-D565 PolarHBondContact O-N 2.86Å; D565-R567 PolarHBondContact O-N 2.98Å; D565-R567 VanDerWaalsContact OD1-CB 3.31Å; D565-R567 WeakPolarHBondContact OD1-CB 3.23Å; D565-R567 WeakPolarHBondContact OD1-CG 3.14Å; D565-R567 IonicContact OD1-CZ 3.99Å; D565-R567 PolarHBondContact OD1-N 3.15Å; D565-R567 IonicContact OD1-NE 3.41Å; D565-R567 PolarHBondContact OD1-NE 2.65Å; D565-R567 IonicContact OD1-NH2 2.71Å; D565-R567 IonicContact OD2-CZ 2.64Å; D565-R567 IonicContact OD2-NE 3.41Å; D565-R567 IonicContact OD2-NH2 3.39Å; D565-R567 PolarHBondContact OD2-NH2 3.48Å; D565-V568 HydrophobicContact CB-CG1 4.42Å; D565-V568 WeakPolarHBondContact O-CG1 3.02Å; D565-V568 PolarHBondContact O-N 3.42Å; D565-V568 VanDerWaalsContact O-N 3.11Å; D565-D569 PolarHBondContact N-OD2 3.32Å; D565-D569 PolarHBondContact O-N 2.9Å
566D98.6Very high98.4Very high91 Ų9136.3 Ų36.349%0.48720%0.196SC..Hα-helixtrans-54.7-28.6-173.2-61.9-21.2000112.5V568 D569 D570 K648D566-V568 PolarHBondContact O-N 3.23Å; D566-V568 VanDerWaalsContact O-N 3.1Å; D566-D569 PolarHBondContact O-N 2.96Å; D566-D570 WeakPolarHBondContact O-CB 3.44Å; D566-D570 PolarHBondContact O-N 2.68Å; D566-K648 IonicContact OD1-NZ 2.67Å; D566-K648 PolarHBondContact OD1-NZ 3.06Å
567R98.7Very high98.5Very high122 Ų12237.7 Ų37.746%0.4619%0.188SC..Hα-helixtrans-57.6-30-179.7-67.2179.3-68.3169.7-3.3114.2Y536 P559 D565 I571Y536-R567 HydrophobicContact CE2-CB 3.82Å; P559-R567 HydrophobicContact CB-CB 4.4Å; P559-R567 HydrophobicContact CG-CB 4.08Å; D565-R567 PolarHBondContact O-N 2.98Å; D565-R567 VanDerWaalsContact OD1-CB 3.31Å; D565-R567 WeakPolarHBondContact OD1-CB 3.23Å; D565-R567 WeakPolarHBondContact OD1-CG 3.14Å; D565-R567 IonicContact OD1-CZ 3.99Å; D565-R567 PolarHBondContact OD1-N 3.15Å; D565-R567 IonicContact OD1-NE 3.41Å; D565-R567 PolarHBondContact OD1-NE 2.65Å; D565-R567 IonicContact OD1-NH2 2.71Å; D565-R567 IonicContact OD2-CZ 2.64Å; D565-R567 IonicContact OD2-NE 3.41Å; D565-R567 IonicContact OD2-NH2 3.39Å; D565-R567 PolarHBondContact OD2-NH2 3.48Å; R567-I571 WeakPolarHBondContact O-CD1 3.12Å
568V98.8Very high98.5Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-114.4-30178.460.60000112.2A528 P559 K560 D565 D566 D570 I571 A572A528-V568 HydrophobicContact CB-CG2 4.37Å; P559-V568 HydrophobicContact CB-CB 4.11Å; P559-V568 HydrophobicContact CB-CG1 3.81Å; K560-V568 VanDerWaalsContact C-CG1 3.49Å; D565-V568 HydrophobicContact CB-CG1 4.42Å; D565-V568 WeakPolarHBondContact O-CG1 3.02Å; D565-V568 PolarHBondContact O-N 3.42Å; D565-V568 VanDerWaalsContact O-N 3.11Å; D566-V568 PolarHBondContact O-N 3.23Å; D566-V568 VanDerWaalsContact O-N 3.1Å; V568-D570 VanDerWaalsContact C-N 3.31Å; V568-D570 PolarHBondContact O-N 2.97Å; V568-I571 WeakPolarHBondContact O-CB 3.48Å; V568-I571 PolarHBondContact O-N 2.96Å; V568-A572 PolarHBondContact O-N 2.8Å; V568-A572 VanDerWaalsContact O-N 3.15Å
569D98.8Very high98.6Very high1 Ų135.1 Ų35.11%0.00517%0.168CC..Hα-helixtrans-61.5-41.8173.4-65.9-10.9000110.6Y561 N564 D565 D566 I571 A572 V573 S645 K648Y561-D569 WeakPolarHBondContact CD2-OD1 3.4Å; N564-D569 WeakPolarHBondContact CA-OD2 3.49Å; D565-D569 PolarHBondContact N-OD2 3.32Å; D565-D569 PolarHBondContact O-N 2.9Å; D566-D569 PolarHBondContact O-N 2.96Å; D569-I571 VanDerWaalsContact C-N 3.26Å; D569-I571 PolarHBondContact O-N 2.89Å; D569-A572 WeakPolarHBondContact O-CB 3.42Å; D569-A572 PolarHBondContact O-N 3.3Å; D569-A572 VanDerWaalsContact O-N 3.1Å; D569-V573 WeakPolarHBondContact O-CG2 3.38Å; D569-V573 PolarHBondContact O-N 3.28Å; D569-S645 VanDerWaalsContact CG-OG 3.25Å; D569-S645 WeakPolarHBondContact OD1-CB 3.35Å; D569-S645 PolarHBondContact OD1-OG 3Å; D569-S645 PolarHBondContact OD2-OG 3Å; D569-K648 HydrophobicContact CB-CD 3.79Å; D569-K648 IonicContact OD2-NZ 2.73Å; D569-K648 PolarHBondContact OD2-NZ 2.66Å
570D98.8Very high98.6Very high96 Ų9634.8 Ų34.851%0.51317%0.165SC..Hα-helixtrans-65.3-29.3177.1-68.7-13.3000112.2D566 V568 V573 D574D566-D570 WeakPolarHBondContact O-CB 3.44Å; D566-D570 PolarHBondContact O-N 2.68Å; V568-D570 VanDerWaalsContact C-N 3.31Å; V568-D570 PolarHBondContact O-N 2.97Å; D570-V573 PolarHBondContact O-N 3.4Å; D570-D574 WeakPolarHBondContact O-CB 3.36Å; D570-D574 PolarHBondContact O-N 3.07Å
571I98.8Very high98.6Very high6 Ų636.5 Ų36.53%0.03118%0.181CC..Hα-helixtrans-66.7-44.8173.4-61.5176000109.5Y467 A528 L531 R567 V568 D569 V573 D574 L575Y467-I571 HydrophobicContact CE2-CD1 4.44Å; A528-I571 HydrophobicContact CB-CG2 4.29Å; L531-I571 HydrophobicContact CB-CD1 4.35Å; L531-I571 HydrophobicContact CB-CG2 3.84Å; L531-I571 HydrophobicContact CD1-CG2 3.69Å; L531-I571 HydrophobicContact CG-CG2 4.44Å; R567-I571 WeakPolarHBondContact O-CD1 3.12Å; V568-I571 WeakPolarHBondContact O-CB 3.48Å; V568-I571 PolarHBondContact O-N 2.96Å; D569-I571 VanDerWaalsContact C-N 3.26Å; D569-I571 PolarHBondContact O-N 2.89Å; I571-V573 VanDerWaalsContact C-N 3.31Å; I571-V573 PolarHBondContact O-N 3.36Å; I571-D574 PolarHBondContact O-N 3.05Å; I571-L575 HydrophobicContact CG2-CD1 4.37Å; I571-L575 HydrophobicContact CG2-CG 4.47Å; I571-L575 VanDerWaalsContact O-CG 3.28Å; I571-L575 WeakPolarHBondContact O-CG 3.4Å; I571-L575 PolarHBondContact O-N 2.87Å
572A98.8Very high98.6Very high0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-62.5-40177.800000111.8L524 A528 Y561 V568 D569 V576 I649L524-A572 HydrophobicContact CD1-CB 4.38Å; L524-A572 HydrophobicContact CG-CB 4.39Å; A528-A572 HydrophobicContact CB-CB 3.88Å; Y561-A572 HydrophobicContact CD2-CB 3.91Å; Y561-A572 HydrophobicContact CE2-CB 3.86Å; V568-A572 PolarHBondContact O-N 2.8Å; V568-A572 VanDerWaalsContact O-N 3.15Å; D569-A572 WeakPolarHBondContact O-CB 3.42Å; D569-A572 PolarHBondContact O-N 3.3Å; D569-A572 VanDerWaalsContact O-N 3.1Å; A572-V576 PolarHBondContact O-N 2.93Å; A572-I649 HydrophobicContact CB-CD1 3.85Å
573V98.8Very high98.6Very high24 Ų2437.3 Ų37.315%0.14518%0.184CC..Hα-helixtrans-62-52174.2173.10000111.1D569 D570 I571 L575 V576 E577 K648 I649 P650D569-V573 WeakPolarHBondContact O-CG2 3.38Å; D569-V573 PolarHBondContact O-N 3.28Å; D570-V573 PolarHBondContact O-N 3.4Å; I571-V573 VanDerWaalsContact C-N 3.31Å; I571-V573 PolarHBondContact O-N 3.36Å; V573-L575 VanDerWaalsContact C-N 3.31Å; V573-L575 PolarHBondContact O-N 2.7Å; V573-V576 WeakPolarHBondContact O-CB 3.28Å; V573-V576 PolarHBondContact O-N 3.01Å; V573-V576 VanDerWaalsContact O-N 3.12Å; V573-E577 HydrophobicContact CG1-CG 4.35Å; V573-E577 WeakPolarHBondContact O-CG 3.49Å; V573-E577 PolarHBondContact O-N 3.24Å; V573-K648 HydrophobicContact CG2-CB 4.28Å; V573-K648 WeakPolarHBondContact CG2-O 3.4Å; V573-I649 HydrophobicContact CG2-CD1 4.29Å; V573-P650 HydrophobicContact CG1-CG 4.23Å
574D98.6Very high98.6Very high40 Ų4042.6 Ų42.621%0.21420%0.203CC..Hα-helixtrans-59.8-39.1-179178.365.8000112.2F471 D570 I571 V576 E577 R578F471-D574 WeakPolarHBondContact CZ-OD2 3.3Å; D570-D574 WeakPolarHBondContact O-CB 3.36Å; D570-D574 PolarHBondContact O-N 3.07Å; I571-D574 PolarHBondContact O-N 3.05Å; D574-V576 PolarHBondContact O-N 3.19Å; D574-E577 PolarHBondContact O-N 3.32Å; D574-R578 VanDerWaalsContact O-CB 3.29Å; D574-R578 WeakPolarHBondContact O-CB 3.39Å; D574-R578 VanDerWaalsContact O-CG 3.22Å; D574-R578 WeakPolarHBondContact O-CG 3.38Å; D574-R578 PolarHBondContact O-N 2.94Å; D574-R578 IonicContact OD1-CZ 2.94Å; D574-R578 IonicContact OD1-NE 2.7Å; D574-R578 PolarHBondContact OD1-NE 2.55Å; D574-R578 IonicContact OD1-NH2 2.96Å; D574-R578 PolarHBondContact OD1-NH2 3.06Å; D574-R578 WeakPolarHBondContact OD2-CD 3.36Å; D574-R578 IonicContact OD2-CZ 3.64Å; D574-R578 IonicContact OD2-NE 3.16Å; D574-R578 PolarHBondContact OD2-NE 3.34Å
575L98.8Very high98.6Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-60.7-43.9175.6-72.9179.4000112.6L433 F471 F474 M478 L524 A527 L531 I571 V573 F579L433-L575 HydrophobicContact CD2-CB 4.45Å; L433-L575 HydrophobicContact CD2-CD1 4.35Å; F471-L575 HydrophobicContact CE2-CD2 4.12Å; F474-L575 HydrophobicContact CD1-CD2 4.19Å; F474-L575 HydrophobicContact CE1-CD2 3.53Å; F474-L575 HydrophobicContact CZ-CD2 4.37Å; M478-L575 HydrophobicContact CE-CD2 4.23Å; M478-L575 HydrophobicContact SD-CD2 4.43Å; L524-L575 HydrophobicContact CD1-CB 4.14Å; L524-L575 HydrophobicContact CD1-CD1 4.25Å; A527-L575 HydrophobicContact CB-CD1 3.84Å; L531-L575 HydrophobicContact CD1-CD1 4.12Å; L531-L575 HydrophobicContact CD1-CD2 3.96Å; L531-L575 HydrophobicContact CD1-CG 4.32Å; I571-L575 HydrophobicContact CG2-CD1 4.37Å; I571-L575 HydrophobicContact CG2-CG 4.47Å; I571-L575 VanDerWaalsContact O-CG 3.28Å; I571-L575 WeakPolarHBondContact O-CG 3.4Å; I571-L575 PolarHBondContact O-N 2.87Å; V573-L575 VanDerWaalsContact C-N 3.31Å; V573-L575 PolarHBondContact O-N 2.7Å; L575-F579 WeakPolarHBondContact O-CB 3.01Å; L575-F579 PolarHBondContact O-N 2.8Å
576V98.5Very high98.6Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-64.6-48.1178.6157.60000110.9I521 L524 A572 V573 D574 R578 F579 M580 M596 V598 I649 P650 C653 C654I521-V576 HydrophobicContact CD1-CG2 3.89Å; L524-V576 HydrophobicContact CD1-CG2 4.06Å; L524-V576 HydrophobicContact CD2-CG2 3.95Å; A572-V576 PolarHBondContact O-N 2.93Å; V573-V576 WeakPolarHBondContact O-CB 3.28Å; V573-V576 PolarHBondContact O-N 3.01Å; V573-V576 VanDerWaalsContact O-N 3.12Å; D574-V576 PolarHBondContact O-N 3.19Å; V576-R578 PolarHBondContact O-N 2.75Å; V576-F579 PolarHBondContact O-N 3.4Å; V576-M580 WeakPolarHBondContact O-CB 3.47Å; V576-M580 PolarHBondContact O-N 3.31Å; V576-M596 HydrophobicContact CB-CE 4.13Å; V576-M596 HydrophobicContact CG1-CE 3.63Å; V576-M596 HydrophobicContact CG2-CE 4.28Å; V576-M596 WeakPolarHBondContact O-CE 3.35Å; V576-V598 HydrophobicContact CG2-CG2 4.09Å; V576-I649 HydrophobicContact CG1-CG2 4.39Å; V576-I649 HydrophobicContact CG2-CG2 4.18Å; V576-P650 HydrophobicContact CG1-CG 4.03Å; V576-C653 HydrophobicContact CG1-CB 3.78Å; V576-C654 WeakPolarHBondContact CG1-SG 3.18Å
577E98.6Very high98.6Very high86 Ų8646.9 Ų46.940%0.40222%0.224SC..Hα-helixtrans-63.4-43.5-179.3-67.4-174.2150.800112.1V573 D574 T581 P650V573-E577 HydrophobicContact CG1-CG 4.35Å; V573-E577 WeakPolarHBondContact O-CG 3.49Å; V573-E577 PolarHBondContact O-N 3.24Å; D574-E577 PolarHBondContact O-N 3.32Å; E577-T581 PolarHBondContact O-N 3.5Å; E577-T581 PolarHBondContact O-OG1 2.95Å; E577-P650 HydrophobicContact CG-CG 4.01Å
578R98.5Very high98.6Very high89 Ų8941.6 Ų41.634%0.33621%0.205SC..Hα-helixtrans-64.7-48.5177.6-75.2175.3-179-84.3-11.6111.8D475 M478 D574 V576 M580 T581 K582D475-R578 IonicContact OD1-NH1 2.69Å; D475-R578 PolarHBondContact OD1-NH1 3.46Å; D475-R578 VanDerWaalsContact OD1-NH1 3.11Å; M478-R578 HydrophobicContact CE-CB 4.48Å; D574-R578 VanDerWaalsContact O-CB 3.29Å; D574-R578 WeakPolarHBondContact O-CB 3.39Å; D574-R578 VanDerWaalsContact O-CG 3.22Å; D574-R578 WeakPolarHBondContact O-CG 3.38Å; D574-R578 PolarHBondContact O-N 2.94Å; D574-R578 IonicContact OD1-CZ 2.94Å; D574-R578 IonicContact OD1-NE 2.7Å; D574-R578 PolarHBondContact OD1-NE 2.55Å; D574-R578 IonicContact OD1-NH2 2.96Å; D574-R578 PolarHBondContact OD1-NH2 3.06Å; D574-R578 WeakPolarHBondContact OD2-CD 3.36Å; D574-R578 IonicContact OD2-CZ 3.64Å; D574-R578 IonicContact OD2-NE 3.16Å; D574-R578 PolarHBondContact OD2-NE 3.34Å; V576-R578 PolarHBondContact O-N 2.75Å; R578-M580 VanDerWaalsContact C-N 3.3Å; R578-M580 PolarHBondContact O-N 3.06Å; R578-T581 WeakPolarHBondContact O-CB 3.34Å; R578-T581 PolarHBondContact O-N 2.99Å; R578-T581 VanDerWaalsContact O-N 3.15Å; R578-K582 VanDerWaalsContact O-CG 3.29Å; R578-K582 WeakPolarHBondContact O-CG 3.36Å; R578-K582 PolarHBondContact O-N 3.44Å
579F98.7Very high98.6Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-64.6-39.7-177.1-163.4-117.1000111.2M478 L481 A482 I521 L575 V576 T581 K582 L583 M596M478-F579 HydrophobicContact CB-CD2 4.03Å; M478-F579 HydrophobicContact CB-CE2 4.37Å; M478-F579 HydrophobicContact CG-CD2 4.15Å; M478-F579 HydrophobicContact SD-CB 4.42Å; M478-F579 HydrophobicContact SD-CD2 4.14Å; L481-F579 HydrophobicContact CB-CE2 4.18Å; L481-F579 HydrophobicContact CD2-CE2 3.71Å; L481-F579 HydrophobicContact CD2-CZ 3.65Å; L481-F579 HydrophobicContact CG-CE2 4.13Å; L481-F579 HydrophobicContact CG-CZ 4.02Å; A482-F579 HydrophobicContact CB-CE2 4.13Å; A482-F579 HydrophobicContact CB-CZ 4.49Å; I521-F579 HydrophobicContact CG2-CD1 3.37Å; I521-F579 HydrophobicContact CG2-CE1 3.56Å; I521-F579 HydrophobicContact CG2-CG 4.36Å; L575-F579 WeakPolarHBondContact O-CB 3.01Å; L575-F579 PolarHBondContact O-N 2.8Å; V576-F579 PolarHBondContact O-N 3.4Å; F579-T581 VanDerWaalsContact C-N 3.33Å; F579-T581 PolarHBondContact O-N 2.86Å; F579-K582 PolarHBondContact O-N 2.97Å; F579-L583 HydrophobicContact CD1-CD1 3.75Å; F579-L583 HydrophobicContact CD1-CG 4.23Å; F579-L583 HydrophobicContact CE1-CD1 3.78Å; F579-L583 HydrophobicContact CE1-CD2 4.16Å; F579-L583 HydrophobicContact CE1-CG 4.07Å; F579-L583 HydrophobicContact CZ-CD2 4.22Å; F579-L583 HydrophobicContact CZ-CG 4.38Å; F579-L583 VanDerWaalsContact O-CG 3.28Å; F579-L583 WeakPolarHBondContact O-CG 3.2Å; F579-L583 PolarHBondContact O-N 3.04Å; F579-M596 HydrophobicContact CB-SD 4.37Å; F579-M596 HydrophobicContact CD1-SD 3.65Å; F579-M596 HydrophobicContact CG-SD 4.49Å
580M98.6Very high98.6Very high2 Ų245.1 Ų45.11%0.0122%0.218CC..Hα-helixtrans-60.5-41.3173.5-169.363.3-147.200112.6V576 R578 K582 L583 R584 H594 M596 C653V576-M580 WeakPolarHBondContact O-CB 3.47Å; V576-M580 PolarHBondContact O-N 3.31Å; R578-M580 VanDerWaalsContact C-N 3.3Å; R578-M580 PolarHBondContact O-N 3.06Å; M580-K582 VanDerWaalsContact C-N 3.34Å; M580-K582 PolarHBondContact O-N 3.32Å; M580-L583 PolarHBondContact O-N 3.18Å; M580-L583 HydrophobicContact SD-CD1 4.39Å; M580-R584 HydrophobicContact CE-CG 3.88Å; M580-R584 WeakPolarHBondContact O-CG 3.37Å; M580-R584 PolarHBondContact O-N 2.79Å; M580-H594 VanDerWaalsContact CE-C 3.4Å; M580-H594 HydrophobicContact CE-CB 3.51Å; M580-H594 WeakPolarHBondContact CE-O 3.41Å; M580-M596 HydrophobicContact CB-CE 4.21Å; M580-M596 HydrophobicContact SD-CB 3.52Å; M580-M596 VanDerWaalsContact SD-CB 3.52Å; M580-C653 HydrophobicContact CB-CB 4.21Å; M580-C653 HydrophobicContact CG-CB 4.32Å; M580-C653 WeakPolarHBondContact CG-O 3.38Å; M580-C653 VanDerWaalsContact SD-O 3.33Å
581T98.6Very high98.5Very high91 Ų9146.5 Ų46.556%0.55823%0.226SC*.Hα-helixtrans-61.8-42.7175.9-610000111.7E577 R578 F579 R584 S585E577-T581 PolarHBondContact O-N 3.5Å; E577-T581 PolarHBondContact O-OG1 2.95Å; R578-T581 WeakPolarHBondContact O-CB 3.34Å; R578-T581 PolarHBondContact O-N 2.99Å; R578-T581 VanDerWaalsContact O-N 3.15Å; F579-T581 VanDerWaalsContact C-N 3.33Å; F579-T581 PolarHBondContact O-N 2.86Å; T581-R584 PolarHBondContact O-N 3.44Å; T581-S585 PolarHBondContact O-N 2.88Å
582K98.7Very high98.5Very high17 Ų1746.3 Ų46.37%0.07423%0.225CC..Hα-helixtrans-65.7-43.9178-65.4173.3-176.8-770111.3D475 M478 D479 A482 R578 F579 M580 R584 S585 H586D475-K582 WeakPolarHBondContact O-CE 3Å; D475-K582 PolarHBondContact O-NZ 2.77Å; D475-K582 WeakPolarHBondContact OD1-CE 3.46Å; D475-K582 IonicContact OD1-NZ 3.39Å; D475-K582 PolarHBondContact OD1-NZ 3.35Å; D475-K582 IonicContact OD2-NZ 3.2Å; D475-K582 PolarHBondContact OD2-NZ 3.12Å; M478-K582 HydrophobicContact CB-CD 3.59Å; D479-K582 VanDerWaalsContact OD1-CD 3.28Å; D479-K582 WeakPolarHBondContact OD1-CD 3.47Å; D479-K582 VanDerWaalsContact OD1-CG 3.22Å; D479-K582 WeakPolarHBondContact OD1-CG 3.27Å; D479-K582 IonicContact OD1-NZ 3.44Å; D479-K582 PolarHBondContact OD1-NZ 2.85Å; D479-K582 IonicContact OD2-NZ 2.66Å; D479-K582 PolarHBondContact OD2-NZ 3.3Å; A482-K582 HydrophobicContact CB-CB 3.97Å; R578-K582 VanDerWaalsContact O-CG 3.29Å; R578-K582 WeakPolarHBondContact O-CG 3.36Å; R578-K582 PolarHBondContact O-N 3.44Å; F579-K582 PolarHBondContact O-N 2.97Å; M580-K582 VanDerWaalsContact C-N 3.34Å; M580-K582 PolarHBondContact O-N 3.32Å; K582-R584 VanDerWaalsContact C-N 3.35Å; K582-R584 PolarHBondContact O-N 3.23Å; K582-S585 WeakPolarHBondContact O-CB 3.28Å; K582-S585 PolarHBondContact O-N 3.09Å; K582-S585 VanDerWaalsContact O-N 3.08Å; K582-S585 PolarHBondContact O-OG 2.9Å; K582-H586 PolarHBondContact O-CD2 2.91Å; K582-H586 VanDerWaalsContact O-CD2 3.28Å
583L98.7Very high98.5Very high0 Ų050.8 Ų50.80%025%0.246CC..Hα-helixtrans-55.9-47.4174.3-70.6165.8000111.9A482 Y485 I486 T519 F579 M580 S585 H586 H594 M596A482-L583 HydrophobicContact CB-CD2 4Å; A482-L583 HydrophobicContact CB-CG 4.34Å; Y485-L583 HydrophobicContact CD1-CD2 4.41Å; I486-L583 HydrophobicContact CD1-CD2 4.06Å; I486-L583 HydrophobicContact CG1-CD2 3.91Å; T519-L583 HydrophobicContact CG2-CD1 4.26Å; T519-L583 HydrophobicContact CG2-CD2 3.86Å; T519-L583 WeakPolarHBondContact OG1-CD1 3.46Å; F579-L583 HydrophobicContact CD1-CD1 3.75Å; F579-L583 HydrophobicContact CD1-CG 4.23Å; F579-L583 HydrophobicContact CE1-CD1 3.78Å; F579-L583 HydrophobicContact CE1-CD2 4.16Å; F579-L583 HydrophobicContact CE1-CG 4.07Å; F579-L583 HydrophobicContact CZ-CD2 4.22Å; F579-L583 HydrophobicContact CZ-CG 4.38Å; F579-L583 VanDerWaalsContact O-CG 3.28Å; F579-L583 WeakPolarHBondContact O-CG 3.2Å; F579-L583 PolarHBondContact O-N 3.04Å; M580-L583 PolarHBondContact O-N 3.18Å; M580-L583 HydrophobicContact SD-CD1 4.39Å; L583-S585 PolarHBondContact O-N 3.36Å; L583-H586 PolarHBondContact O-N 2.79Å; L583-H586 VanDerWaalsContact O-N 3.11Å; L583-H594 PolarHBondContact O-CD2 2.67Å; L583-H594 PolarHBondContact O-NE2 3.01Å; L583-H594 VanDerWaalsContact O-NE2 3.14Å; L583-M596 HydrophobicContact CD1-CB 4.39Å; L583-M596 HydrophobicContact CD1-CG 4.42Å; L583-M596 HydrophobicContact CD1-SD 4.1Å
584R98.4Very high98.5Very high125 Ų12550.9 Ų50.947%0.47225%0.245SC..THydrogen-bonded Turntrans-60.8-15.4178.2-73.9172176.9160.92.2114.4M580 T581 K582 H586 H594M580-R584 HydrophobicContact CE-CG 3.88Å; M580-R584 WeakPolarHBondContact O-CG 3.37Å; M580-R584 PolarHBondContact O-N 2.79Å; T581-R584 PolarHBondContact O-N 3.44Å; K582-R584 VanDerWaalsContact C-N 3.35Å; K582-R584 PolarHBondContact O-N 3.23Å; R584-H586 VanDerWaalsContact C-N 3.28Å; R584-H594 HydrophobicContact CG-CB 3.91Å
585S98.2Very high98.5Very high84 Ų8449.2 Ų49.259%0.58724%0.236SC*.THydrogen-bonded Turntrans-78.7-10.5177.979.80000113.8T581 K582 L583T581-S585 PolarHBondContact O-N 2.88Å; K582-S585 WeakPolarHBondContact O-CB 3.28Å; K582-S585 PolarHBondContact O-N 3.09Å; K582-S585 VanDerWaalsContact O-N 3.08Å; K582-S585 PolarHBondContact O-OG 2.9Å; L583-S585 PolarHBondContact O-N 3.36Å
586H98.5Very high98.5Very high50 Ų5049.2 Ų49.223%0.23124%0.236CC..SBendtrans-101154.3-179.5-62-73.1000112G483 I486 K582 L583 R584 H594G483-H586 WeakPolarHBondContact CA-CE1 3.42Å; G483-H586 WeakPolarHBondContact CA-NE2 3.45Å; G483-H586 PolarHBondContact N-NE2 2.73Å; G483-H586 VanDerWaalsContact N-NE2 3.2Å; I486-H586 HydrophobicContact CB-CB 3.98Å; I486-H586 HydrophobicContact CG1-CB 4.12Å; I486-H586 HydrophobicContact CG2-CB 3.75Å; K582-H586 PolarHBondContact O-CD2 2.91Å; K582-H586 VanDerWaalsContact O-CD2 3.28Å; L583-H586 PolarHBondContact O-N 2.79Å; L583-H586 VanDerWaalsContact O-N 3.11Å; R584-H586 VanDerWaalsContact C-N 3.28Å; H586-H594 PolarHBondContact O-CE1 2.85Å; H586-H594 PolarHBondContact O-NE2 3.47Å
587K98.5Very high98.5Very high152 Ų15249.3 Ų49.366%0.66124%0.237SC*.  trans-83.4138.7174.3-176.3170.5-178.2173.60110.3I486 N490 D591I486-K587 WeakPolarHBondContact CG2-O 3.34Å; N490-K587 PolarHBondContact ND2-O 3.01Å; K587-D591 WeakPolarHBondContact CE-OD1 3.49Å; K587-D591 IonicContact NZ-OD1 3.98Å
588T98.8Very high98.5Very high10 Ų1045.2 Ų45.26%0.06122%0.217CC..  trans-104.2150.8176.8450000112.5I486 N490 M517 D591 S592 H594I486-T588 HydrophobicContact CD1-CG2 4.34Å; I486-T588 HydrophobicContact CG2-CG2 4.24Å; N490-T588 WeakPolarHBondContact OD1-CA 3.37Å; M517-T588 HydrophobicContact CB-CG2 3.69Å; M517-T588 HydrophobicContact CE-CG2 4.1Å; M517-T588 HydrophobicContact CG-CG2 3.92Å; T588-D591 PolarHBondContact O-N 3.16Å; T588-S592 WeakPolarHBondContact CB-O 3.37Å; T588-S592 WeakPolarHBondContact CB-OG 3.27Å; T588-S592 PolarHBondContact OG1-N 2.95Å; T588-S592 PolarHBondContact OG1-O 3.41Å; T588-H594 WeakPolarHBondContact CG2-NE2 3.31Å
589Y98.7Very high98.4Very high30 Ų3041.3 Ų41.312%0.11820%0.203CC..G310 helixtrans-62136.9170.7169.2-111.7000110.6F426 N490 H493 Y494 D497 D591 S592F426-Y589 HydrophobicContact CD2-CD1 4.35Å; F426-Y589 AromaticContact CE2-CD1 3.55Å; F426-Y589 HydrophobicContact CE2-CD1 3.55Å; F426-Y589 AromaticContact CE2-CE1 3.91Å; F426-Y589 HydrophobicContact CE2-CE1 3.91Å; F426-Y589 AromaticContact CZ-CD1 3.84Å; F426-Y589 HydrophobicContact CZ-CD1 3.84Å; F426-Y589 AromaticContact CZ-CE1 3.7Å; F426-Y589 HydrophobicContact CZ-CE1 3.7Å; N490-Y589 PolarHBondContact OD1-N 3.21Å; H493-Y589 HydrophobicContact CB-CD1 3.72Å; H493-Y589 HydrophobicContact CB-CE1 4.14Å; Y494-Y589 HydrophobicContact CD2-CD2 4.18Å; Y494-Y589 AromaticContact CD2-CE2 3.64Å; Y494-Y589 HydrophobicContact CD2-CE2 3.64Å; Y494-Y589 HydrophobicContact CG-CE2 4.3Å; D497-Y589 WeakPolarHBondContact OD2-CE1 3.34Å; D497-Y589 PolarHBondContact OD2-OH 2.87Å; Y589-D591 PolarHBondContact O-N 3.49Å; Y589-D591 VanDerWaalsContact O-N 3.16Å; Y589-S592 PolarHBondContact O-N 3.15Å; Y589-S592 PolarHBondContact O-OG 3.49Å
590R97.8Very high98.2Very high45 Ų4541.3 Ų41.317%0.1720%0.203CC..G310 helixtrans53.528.7-175.1-83.3-178.8145.5171.5-9113.8R214 E218 F426 D497 S592R214-R590 VanDerWaalsContact CD-NH2 3.33Å; R214-R590 VanDerWaalsContact NE-CZ 3.34Å; E218-R590 IonicContact OE1-CZ 2.71Å; E218-R590 IonicContact OE1-NH1 3.28Å; E218-R590 PolarHBondContact OE1-NH1 3.33Å; E218-R590 IonicContact OE1-NH2 2.94Å; E218-R590 PolarHBondContact OE1-NH2 3.44Å; E218-R590 IonicContact OE2-CZ 3.56Å; E218-R590 IonicContact OE2-NH1 3.61Å; E218-R590 IonicContact OE2-NH2 3.3Å; E218-R590 PolarHBondContact OE2-NH2 2.96Å; F426-R590 HydrophobicContact CE2-CB 4.28Å; D497-R590 IonicContact OD1-NH1 3.96Å; D497-R590 IonicContact OD2-CZ 3.18Å; D497-R590 IonicContact OD2-NE 3.79Å; D497-R590 IonicContact OD2-NH1 3.22Å; D497-R590 PolarHBondContact OD2-NH1 2.94Å; R590-S592 PolarHBondContact O-N 3.3Å
591D97.7Very high97.7Very high125 Ų12541.3 Ų41.367%0.66820%0.203SC*.G310 helixtrans50.232.8178.7-55.4-53.2000112.9K587 T588 Y589K587-D591 WeakPolarHBondContact CE-OD1 3.49Å; K587-D591 IonicContact NZ-OD1 3.98Å; T588-D591 PolarHBondContact O-N 3.16Å; Y589-D591 PolarHBondContact O-N 3.49Å; Y589-D591 VanDerWaalsContact O-N 3.16Å
592S98.5Very high97.2Very high3 Ų337.4 Ų37.42%0.02118%0.179CC..PPolyproline II helixtrans-64.8139.3-178.159.60000111.5R515 M517 T588 Y589 R590 H594R515-S592 CarbonylContact O-C 3.58Å; R515-S592 WeakPolarHBondContact O-CA 3.26Å; R515-S592 VanDerWaalsContact O-CB 3.29Å; R515-S592 WeakPolarHBondContact O-CB 3.44Å; M517-S592 WeakPolarHBondContact CB-OG 3.37Å; T588-S592 WeakPolarHBondContact CB-O 3.37Å; T588-S592 WeakPolarHBondContact CB-OG 3.27Å; T588-S592 PolarHBondContact OG1-N 2.95Å; T588-S592 PolarHBondContact OG1-O 3.41Å; Y589-S592 PolarHBondContact O-N 3.15Å; Y589-S592 PolarHBondContact O-OG 3.49Å; R590-S592 PolarHBondContact O-N 3.3Å; S592-H594 PolarHBondContact O-N 2.9Å
593E98.3Very high96.7Very high93 Ų9336.6 Ų36.644%0.43518%0.176SC..EExtended strand (participates in β ladder)trans-63134.2179.5178-176.7175.600111R515 T516 M517 T595R515-E593 PolarHBondContact O-N 3.39Å; T516-E593 CarbonylContact C-O 3.42Å; T516-E593 WeakPolarHBondContact CA-O 3.44Å; T516-E593 WeakPolarHBondContact CB-O 3.38Å; T516-E593 HydrophobicContact CG2-CB 4.24Å; M517-E593 PolarHBondContact N-O 3.41Å; E593-T595 PolarHBondContact O-N 2.88Å
594H98.7Very high96.4Very high27 Ų2736.6 Ų36.613%0.12518%0.176CC..EExtended strand (participates in β ladder)trans-70.3126.9176.5-62.778.9000110.2M580 L583 R584 H586 T588 S592M580-H594 VanDerWaalsContact CE-C 3.4Å; M580-H594 HydrophobicContact CE-CB 3.51Å; M580-H594 WeakPolarHBondContact CE-O 3.41Å; L583-H594 PolarHBondContact O-CD2 2.67Å; L583-H594 PolarHBondContact O-NE2 3.01Å; L583-H594 VanDerWaalsContact O-NE2 3.14Å; R584-H594 HydrophobicContact CG-CB 3.91Å; H586-H594 PolarHBondContact O-CE1 2.85Å; H586-H594 PolarHBondContact O-NE2 3.47Å; T588-H594 WeakPolarHBondContact CG2-NE2 3.31Å; S592-H594 PolarHBondContact O-N 2.9Å
595T98.6Very high96.1Very high5 Ų531.1 Ų31.13%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-130.7159.5167.3600000110.3T516 M517 A518 T519 E593 K655T516-T595 HydrophobicContact CG2-CG2 3.73Å; M517-T595 PolarHBondContact O-N 3.25Å; M517-T595 VanDerWaalsContact O-N 3.1Å; A518-T595 WeakPolarHBondContact CA-OG1 3.28Å; T519-T595 PolarHBondContact N-O 2.99Å; T519-T595 PolarHBondContact OG1-O 3.35Å; E593-T595 PolarHBondContact O-N 2.88Å; T595-K655 HydrophobicContact CG2-CB 4.04Å
596M98.6Very high95.8Very high0 Ų027.7 Ų27.70%013%0.132CC..EExtended strand (participates in β ladder)trans-132.9148.4177.2-175176.26900110.2T519 I521 V576 F579 M580 L583 C654 K655 D656T519-M596 CarbonylContact O-C 3.6Å; T519-M596 VanDerWaalsContact O-CA 3.22Å; T519-M596 WeakPolarHBondContact O-CA 3.36Å; I521-M596 HydrophobicContact CD1-CE 4.49Å; I521-M596 HydrophobicContact CD1-SD 4.43Å; I521-M596 HydrophobicContact CG1-SD 4.45Å; I521-M596 HydrophobicContact CG2-CG 4.43Å; I521-M596 HydrophobicContact CG2-SD 3.78Å; V576-M596 HydrophobicContact CB-CE 4.13Å; V576-M596 HydrophobicContact CG1-CE 3.63Å; V576-M596 HydrophobicContact CG2-CE 4.28Å; V576-M596 WeakPolarHBondContact O-CE 3.35Å; F579-M596 HydrophobicContact CB-SD 4.37Å; F579-M596 HydrophobicContact CD1-SD 3.65Å; F579-M596 HydrophobicContact CG-SD 4.49Å; M580-M596 HydrophobicContact CB-CE 4.21Å; M580-M596 HydrophobicContact SD-CB 3.52Å; M580-M596 VanDerWaalsContact SD-CB 3.52Å; L583-M596 HydrophobicContact CD1-CB 4.39Å; L583-M596 HydrophobicContact CD1-CG 4.42Å; L583-M596 HydrophobicContact CD1-SD 4.1Å; M596-C654 CarbonylContact O-C 2.98Å; M596-C654 WeakPolarHBondContact O-CA 3.45Å; M596-K655 PolarHBondContact O-N 3.25Å; M596-D656 WeakPolarHBondContact O-CB 3.4Å; M596-D656 PolarHBondContact O-N 3.44Å
597S98.6Very high95.7Very high1 Ų125.3 Ų25.31%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-121150167.348.30000111.8T519 G520 I521 D656 G657T519-S597 PolarHBondContact O-N 3.19Å; T519-S597 PolarHBondContact O-OG 2.77Å; G520-S597 CarbonylContact C-O 3.42Å; G520-S597 VanDerWaalsContact CA-O 3.26Å; G520-S597 WeakPolarHBondContact CA-O 3.36Å; I521-S597 PolarHBondContact N-O 3.03Å; S597-D656 WeakPolarHBondContact CB-OD2 3.49Å; S597-D656 PolarHBondContact OG-OD2 3.21Å; S597-G657 CarbonylContact C-O 3.58Å; S597-G657 WeakPolarHBondContact CA-O 3.21Å; S597-G657 WeakPolarHBondContact CB-O 3.41Å
598V98.4Very high95.6Very high0 Ų018.1 Ų18.10%09%0.089CC..EExtended strand (participates in β ladder)trans-99.478.5163.9-166.20000107.3I521 L524 V576 A628 I649 G657 I658 S659I521-V598 HydrophobicContact CD1-CG1 4.4Å; I521-V598 HydrophobicContact CD1-CG2 4.01Å; I521-V598 HydrophobicContact CG1-CB 4.36Å; I521-V598 HydrophobicContact CG1-CG1 4.2Å; I521-V598 HydrophobicContact CG1-CG2 4.06Å; L524-V598 HydrophobicContact CB-CG1 4.03Å; L524-V598 HydrophobicContact CD2-CG1 3.67Å; L524-V598 HydrophobicContact CD2-CG2 4.27Å; V576-V598 HydrophobicContact CG2-CG2 4.09Å; V598-A628 HydrophobicContact CB-CB 3.96Å; V598-A628 HydrophobicContact CG1-CB 3.55Å; V598-I649 HydrophobicContact CG2-CG2 4.27Å; V598-G657 PolarHBondContact N-O 3.04Å; V598-I658 HydrophobicContact CB-CG2 4.43Å; V598-S659 PolarHBondContact O-N 2.91Å
599L97.1Very high95.4Very high7 Ų721.2 Ų21.24%0.03710%0.102CC..  trans-141.5134.1-170.3178.868.1000110.4C414 V415 I601C414-L599 HydrophobicContact CB-CD1 4Å; C414-L599 HydrophobicContact CB-CD2 4.12Å; V415-L599 HydrophobicContact CG2-CD1 4.33Å; V415-L599 HydrophobicContact CG2-CD2 4.15Å; L599-I601 HydrophobicContact CD1-CD1 3.87Å; L599-I601 HydrophobicContact CD2-CD1 4.12Å; L599-I601 HydrophobicContact CG-CD1 4.04Å
600T93.3Very high95.3Very high0 Ų023.4 Ų23.40%011%0.112CC..  trans-120.3-23.2-177.863.70000115.3R430 A522 T602 S603 N604 P626 G627 S723R430-T600 PolarHBondContact NE-O 3.4Å; R430-T600 PolarHBondContact NH2-O 3.49Å; A522-T600 HydrophobicContact CB-CG2 3.77Å; T600-T602 PolarHBondContact O-N 2.76Å; T600-S603 WeakPolarHBondContact O-CA 3.4Å; T600-S603 WeakPolarHBondContact O-CB 2.89Å; T600-S603 PolarHBondContact O-N 3.46Å; T600-S603 PolarHBondContact O-OG 2.87Å; T600-N604 HydrophobicContact CG2-CB 4.36Å; T600-P626 WeakPolarHBondContact OG1-CA 3.29Å; T600-G627 PolarHBondContact OG1-N 2.94Å; T600-S723 PolarHBondContact OG1-OG 3.48Å
601I89Confident95.3Very high3 Ų321.3 Ų21.32%0.01510%0.104CC..THydrogen-bonded Turntrans43.8-127.2-159.6-36.1-60.1000109F323 W329 C414 L599 N604 S723 Y725F323-I601 HydrophobicContact CD1-CB 4.23Å; F323-I601 HydrophobicContact CD1-CG1 4.18Å; F323-I601 HydrophobicContact CD1-CG2 3.96Å; F323-I601 HydrophobicContact CE1-CG1 4.16Å; W329-I601 HydrophobicContact CZ2-CD1 4.24Å; W329-I601 HydrophobicContact CZ2-CG1 4.38Å; W329-I601 HydrophobicContact CZ2-CG2 3.99Å; C414-I601 WeakPolarHBondContact SG-CD1 3.25Å; L599-I601 HydrophobicContact CD1-CD1 3.87Å; L599-I601 HydrophobicContact CD2-CD1 4.12Å; L599-I601 HydrophobicContact CG-CD1 4.04Å; I601-N604 PolarHBondContact O-OD1 2.88Å; I601-S723 WeakPolarHBondContact CA-OG 3.46Å; I601-S723 PolarHBondContact N-OG 3.45Å; I601-S723 VanDerWaalsContact N-OG 3.14Å; I601-S723 WeakPolarHBondContact O-CB 3.35Å; I601-S723 PolarHBondContact O-OG 3.36Å; I601-Y725 HydrophobicContact CB-CE1 4.41Å; I601-Y725 HydrophobicContact CD1-CD1 4.47Å; I601-Y725 HydrophobicContact CG2-CD1 4.02Å; I601-Y725 HydrophobicContact CG2-CE1 3.24Å
602T87.2Confident95.4Very high8 Ų815.6 Ų15.65%0.0498%0.075CC..THydrogen-bonded Turntrans-90.52.3175.7-31.70000113.1E321 L322 S324 T600 N604 V605 V606E321-T602 WeakPolarHBondContact O-CB 3.48Å; E321-T602 WeakPolarHBondContact O-CG2 3.4Å; L322-T602 VanDerWaalsContact O-CB 3.3Å; L322-T602 WeakPolarHBondContact O-CB 3.11Å; L322-T602 PolarHBondContact O-N 3.43Å; L322-T602 PolarHBondContact O-OG1 3.25Å; S324-T602 PolarHBondContact N-OG1 2.65Å; S324-T602 VanDerWaalsContact N-OG1 3.08Å; S324-T602 PolarHBondContact OG-OG1 3.15Å; T600-T602 PolarHBondContact O-N 2.76Å; T602-N604 WeakPolarHBondContact CA-OD1 3.47Å; T602-N604 PolarHBondContact O-N 3.33Å; T602-N604 VanDerWaalsContact O-N 3.17Å; T602-V605 HydrophobicContact CG2-CB 4.28Å; T602-V605 HydrophobicContact CG2-CG2 4.15Å; T602-V605 WeakPolarHBondContact O-CB 3.36Å; T602-V605 PolarHBondContact O-N 2.89Å; T602-V606 PolarHBondContact O-N 3.26Å
603S89.6Confident95.4Very high0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-65.9-14.3173-59.10000112.7R430 T600 V605 V606 Y607R430-S603 PolarHBondContact NE-OG 2.94Å; R430-S603 PolarHBondContact NH2-OG 2.98Å; T600-S603 WeakPolarHBondContact O-CA 3.4Å; T600-S603 WeakPolarHBondContact O-CB 2.89Å; T600-S603 PolarHBondContact O-N 3.46Å; T600-S603 PolarHBondContact O-OG 2.87Å; S603-V605 PolarHBondContact O-N 3.32Å; S603-V606 PolarHBondContact O-N 2.63Å; S603-Y607 WeakPolarHBondContact O-CB 3.39Å; S603-Y607 WeakPolarHBondContact O-CD2 3.37Å; S603-Y607 PolarHBondContact O-N 2.94Å
604N92.4Very high95.4Very high1 Ų112.2 Ų12.21%0.0056%0.059CC..Hα-helixtrans-59.6-38.2168.671.4-56000111.2T600 I601 T602 G608 F624 A625T600-N604 HydrophobicContact CG2-CB 4.36Å; I601-N604 PolarHBondContact O-OD1 2.88Å; T602-N604 WeakPolarHBondContact CA-OD1 3.47Å; T602-N604 PolarHBondContact O-N 3.33Å; T602-N604 VanDerWaalsContact O-N 3.17Å; N604-G608 PolarHBondContact O-N 2.93Å; N604-G608 VanDerWaalsContact O-N 3.09Å; N604-F624 HydrophobicContact CB-CB 4.02Å; N604-F624 WeakPolarHBondContact CB-O 3.41Å; N604-F624 PolarHBondContact ND2-O 3.46Å; N604-F624 PolarHBondContact O-N 2.93Å; N604-A625 WeakPolarHBondContact CB-O 3.21Å
605V91.3Very high95.4Very high9 Ų910.9 Ų10.96%0.0555%0.054CC..Hα-helixtrans-75.4-50.2175.1179.30000110.7T602 S603 Y607 G608 K609 P623T602-V605 HydrophobicContact CG2-CB 4.28Å; T602-V605 HydrophobicContact CG2-CG2 4.15Å; T602-V605 WeakPolarHBondContact O-CB 3.36Å; T602-V605 PolarHBondContact O-N 2.89Å; S603-V605 PolarHBondContact O-N 3.32Å; V605-Y607 PolarHBondContact O-N 3.07Å; V605-G608 PolarHBondContact O-N 3.42Å; V605-K609 HydrophobicContact CG1-CD 4.42Å; V605-K609 WeakPolarHBondContact O-CG 3.45Å; V605-K609 PolarHBondContact O-N 3.25Å; V605-P623 HydrophobicContact CG2-CB 4.16Å; V605-P623 HydrophobicContact CG2-CG 4.27Å
606V91.9Very high95.4Very high13 Ų1310.9 Ų10.98%0.0795%0.053CC..Hα-helixtrans-62.4-43.1-177177.20000111.8T167 E321 L322 T602 S603 K610T167-V606 HydrophobicContact CG2-CG1 4.4Å; E321-V606 HydrophobicContact CB-CG2 4.34Å; L322-V606 HydrophobicContact CD2-CB 4.04Å; L322-V606 HydrophobicContact CD2-CG1 3.98Å; L322-V606 HydrophobicContact CD2-CG2 3.88Å; L322-V606 HydrophobicContact CG-CG2 4.33Å; T602-V606 PolarHBondContact O-N 3.26Å; S603-V606 PolarHBondContact O-N 2.63Å; V606-K610 HydrophobicContact CG1-CD 4.37Å; V606-K610 WeakPolarHBondContact O-CG 3.47Å; V606-K610 PolarHBondContact O-N 3.05Å
607Y96.2Very high95.4Very high0 Ų012.4 Ų12.40%07%0.069CC..Hα-helixtrans-70.4-38.9174.5-74.5-47000112.4G164 T167 R430 N432 A522 S603 V605 K609 K610 T611G164-Y607 WeakPolarHBondContact O-CD1 3.46Å; G164-Y607 WeakPolarHBondContact O-CE1 3.39Å; T167-Y607 HydrophobicContact CG2-CD1 4.02Å; T167-Y607 HydrophobicContact CG2-CE1 3.33Å; T167-Y607 PolarHBondContact N-OH 3.29Å; T167-Y607 PolarHBondContact O-OH 3.39Å; R430-Y607 HydrophobicContact CG-CE2 4.12Å; R430-Y607 PolarHBondContact O-OH 3.12Å; N432-Y607 HydrophobicContact CB-CD1 3.71Å; N432-Y607 HydrophobicContact CB-CD2 4.19Å; N432-Y607 HydrophobicContact CB-CE1 3.74Å; N432-Y607 HydrophobicContact CB-CE2 4.2Å; N432-Y607 HydrophobicContact CB-CG 3.95Å; N432-Y607 WeakPolarHBondContact ND2-CD1 3.38Å; A522-Y607 HydrophobicContact CB-CD2 3.6Å; A522-Y607 HydrophobicContact CB-CE2 3.87Å; S603-Y607 WeakPolarHBondContact O-CB 3.39Å; S603-Y607 WeakPolarHBondContact O-CD2 3.37Å; S603-Y607 PolarHBondContact O-N 2.94Å; V605-Y607 PolarHBondContact O-N 3.07Å; Y607-K609 PolarHBondContact O-N 3.28Å; Y607-K610 CarbonylContact O-C 3.06Å; Y607-K610 PolarHBondContact O-N 3.12Å; Y607-K610 VanDerWaalsContact O-N 3.08Å; Y607-T611 VanDerWaalsContact O-CB 3.31Å; Y607-T611 WeakPolarHBondContact O-CB 3.47Å; Y607-T611 PolarHBondContact O-N 3.42Å; Y607-T611 PolarHBondContact O-OG1 3.43Å
608G95.9Very high95.3Very high0 Ų012.5 Ų12.50%07%0.069CC..Hα-helixtrans-53.1-51.8172.300000112.1N604 V605 K610 T611 G621 E622N604-G608 PolarHBondContact O-N 2.93Å; N604-G608 VanDerWaalsContact O-N 3.09Å; V605-G608 PolarHBondContact O-N 3.42Å; G608-K610 PolarHBondContact O-N 2.93Å; G608-T611 PolarHBondContact O-N 2.89Å; G608-T611 VanDerWaalsContact O-O 3.06Å; G608-G621 CarbonylContact C-O 3.57Å; G608-G621 CarbonylContact O-C 3.53Å; G608-G621 VanDerWaalsContact O-CA 3.25Å; G608-G621 WeakPolarHBondContact O-CA 3.42Å; G608-G621 PolarHBondContact O-N 3.42Å; G608-E622 WeakPolarHBondContact CA-O 3.41Å
609K94.9Very high95.3Very high75 Ų7516.9 Ų16.933%0.3269%0.088SC..Hα-helixtrans-54.7-36.9174.6-75.8-178.3178.2-177.10113.7K448 V605 Y607 E735K448-K609 PolarHBondContact NZ-O 2.84Å; V605-K609 HydrophobicContact CG1-CD 4.42Å; V605-K609 WeakPolarHBondContact O-CG 3.45Å; V605-K609 PolarHBondContact O-N 3.25Å; Y607-K609 PolarHBondContact O-N 3.28Å; K609-E735 VanDerWaalsContact CE-CD 3.47Å; K609-E735 WeakPolarHBondContact CE-OE1 3.33Å; K609-E735 IonicContact NZ-OE1 3.94Å; K609-E735 PolarHBondContact NZ-OE1 2.87Å; K609-E735 IonicContact NZ-OE2 2.74Å; K609-E735 PolarHBondContact NZ-OE2 3.3Å
610K97.2Very high95.3Very high77 Ų7719 Ų1934%0.33511%0.106SC..Hα-helixtrans-89-2.6-178.4-69.9177.6-178.1-80.20113.3K435 K448 V606 Y607 G608K435-K610 WeakPolarHBondContact CE-O 3.04Å; K435-K610 PolarHBondContact NZ-O 3.43Å; K448-K610 VanDerWaalsContact CD-O 3.29Å; K448-K610 WeakPolarHBondContact CD-O 3.34Å; V606-K610 HydrophobicContact CG1-CD 4.37Å; V606-K610 WeakPolarHBondContact O-CG 3.47Å; V606-K610 PolarHBondContact O-N 3.05Å; Y607-K610 CarbonylContact O-C 3.06Å; Y607-K610 PolarHBondContact O-N 3.12Å; Y607-K610 VanDerWaalsContact O-N 3.08Å; G608-K610 PolarHBondContact O-N 2.93Å
611T98.6Very high95.4Very high0 Ų020.3 Ų20.30%012%0.12CC..  trans-111.7134.2-177.9-51.80000110.3N432 K435 L438 E447 Y607 G608 T614 G621 F624N432-T611 PolarHBondContact ND2-OG1 3.17Å; K435-T611 HydrophobicContact CB-CG2 4.3Å; L438-T611 HydrophobicContact CD1-CG2 3.74Å; E447-T611 WeakPolarHBondContact OE1-CA 3.46Å; Y607-T611 VanDerWaalsContact O-CB 3.31Å; Y607-T611 WeakPolarHBondContact O-CB 3.47Å; Y607-T611 PolarHBondContact O-N 3.42Å; Y607-T611 PolarHBondContact O-OG1 3.43Å; G608-T611 PolarHBondContact O-N 2.89Å; G608-T611 VanDerWaalsContact O-O 3.06Å; T611-T614 HydrophobicContact CG2-CG2 4.21Å; T611-G621 PolarHBondContact O-N 3.07Å; T611-G621 VanDerWaalsContact O-N 3.09Å; T611-F624 HydrophobicContact CG2-CE1 4.29Å; T611-F624 HydrophobicContact CG2-CZ 4.07Å; T611-F624 WeakPolarHBondContact OG1-CZ 3.32Å
612G98.4Very high95.7Very high5 Ų524.4 Ų24.45%0.05214%0.139CC..  trans-68.5-163.7175.800000112.8E447 R618E447-G612 PolarHBondContact OE1-N 3.44Å; G612-R618 PolarHBondContact O-NH2 3.49Å
613N98.7Very high96Very high24 Ų2425.9 Ų25.913%0.12815%0.149CC..  trans-65.1148.4172.9-60.7-59.5000109.8V550 D551 F552 R618 K619 A620V550-N613 PolarHBondContact O-ND2 2.95Å; D551-N613 HydrophobicContact CB-CB 4.44Å; D551-N613 VanDerWaalsContact CG-ND2 3.3Å; D551-N613 WeakPolarHBondContact OD1-CB 3.38Å; D551-N613 VanDerWaalsContact OD1-CG 3.31Å; D551-N613 PolarHBondContact OD1-ND2 3.14Å; F552-N613 HydrophobicContact CD2-CB 4.47Å; F552-N613 WeakPolarHBondContact CE2-O 3.48Å; N613-R618 WeakPolarHBondContact CA-O 3.41Å; N613-K619 VanDerWaalsContact OD1-CA 3.3Å; N613-K619 WeakPolarHBondContact OD1-CA 3.37Å; N613-A620 PolarHBondContact OD1-N 3.34Å
614T98.8Very high96.3Very high1 Ų125.9 Ų25.91%0.00615%0.149CC..  trans-121.2155.3178.4390000112.2L438 V526 T611 D616 G617 R618L438-T614 HydrophobicContact CD1-CG2 3.96Å; L438-T614 HydrophobicContact CD2-CG2 4.03Å; L438-T614 HydrophobicContact CG-CG2 4.09Å; V526-T614 HydrophobicContact CG1-CG2 3.98Å; T611-T614 HydrophobicContact CG2-CG2 4.21Å; T614-D616 VanDerWaalsContact CB-OD1 3.24Å; T614-D616 WeakPolarHBondContact CB-OD1 3.22Å; T614-D616 PolarHBondContact O-N 3.39Å; T614-D616 PolarHBondContact OG1-OD1 3Å; T614-G617 PolarHBondContact O-N 3.3Å; T614-R618 PolarHBondContact N-O 3Å; T614-R618 VanDerWaalsContact N-O 3.08Å; T614-R618 WeakPolarHBondContact OG1-CB 3.4Å; T614-R618 PolarHBondContact OG1-NE 3.13Å; T614-R618 PolarHBondContact OG1-NH2 3.38Å
615P98.7Very high96.4Very high0 Ų025.9 Ų25.90%015%0.149CC..THydrogen-bonded Turntrans-58.7-17.6-176.3-2633.4000115.6L437 I441 L465 S530 A533 I534 V539 F552 I554 G617L437-P615 HydrophobicContact CD2-CG 4.47Å; I441-P615 HydrophobicContact CD1-CG 3.99Å; L465-P615 HydrophobicContact CD1-CG 4.5Å; S530-P615 WeakPolarHBondContact OG-CD 3.27Å; A533-P615 WeakPolarHBondContact CB-O 3.19Å; I534-P615 HydrophobicContact CD1-CB 3.84Å; I534-P615 HydrophobicContact CD1-CG 4.04Å; I534-P615 HydrophobicContact CG1-CB 4.03Å; V539-P615 HydrophobicContact CG1-CB 4.18Å; F552-P615 HydrophobicContact CD1-CG 4.28Å; F552-P615 HydrophobicContact CD2-CG 4.37Å; F552-P615 HydrophobicContact CE1-CG 3.95Å; F552-P615 HydrophobicContact CE2-CG 4.06Å; F552-P615 HydrophobicContact CG-CG 4.48Å; F552-P615 HydrophobicContact CZ-CG 3.83Å; I554-P615 WeakPolarHBondContact CD1-O 3.44Å; P615-G617 PolarHBondContact O-N 3.44Å
616D98.6Very high96.5Very high5 Ų525.5 Ų25.53%0.02715%0.147CC..THydrogen-bonded Turntrans-76.5-2.5173.671.2-26.6000114.2D529 S530 T614 R618 R634D529-D616 HydrophobicContact CB-CB 3.74Å; S530-D616 WeakPolarHBondContact OG-CB 3.33Å; S530-D616 PolarHBondContact OG-N 3.35Å; T614-D616 VanDerWaalsContact CB-OD1 3.24Å; T614-D616 WeakPolarHBondContact CB-OD1 3.22Å; T614-D616 PolarHBondContact O-N 3.39Å; T614-D616 PolarHBondContact OG1-OD1 3Å; D616-R618 VanDerWaalsContact OD1-CB 3.32Å; D616-R618 WeakPolarHBondContact OD1-CB 3.41Å; D616-R618 PolarHBondContact OD1-N 3.37Å; D616-R634 PolarHBondContact O-NH2 2.97Å; D616-R634 IonicContact OD2-CZ 3.58Å; D616-R634 IonicContact OD2-NH1 2.63Å; D616-R634 PolarHBondContact OD2-NH1 3Å; D616-R634 IonicContact OD2-NH2 3.32Å; D616-R634 PolarHBondContact OD2-NH2 3.31Å
617G97.9Very high96.7Very high31 Ų3125 Ų2532%0.3214%0.143SC..SBendtrans87.8-0.8-179.200000114.6T614 P615 K619T614-G617 PolarHBondContact O-N 3.3Å; P615-G617 PolarHBondContact O-N 3.44Å; G617-K619 PolarHBondContact O-N 2.63Å
618R97.9Very high96.8Very high3 Ų325 Ų251%0.01114%0.143CC..PPolyproline II helixtrans-64.3134.3172.6-175.8-161.165.674.217.1109.4G612 N613 T614 D616 E622 M631G612-R618 PolarHBondContact O-NH2 3.49Å; N613-R618 WeakPolarHBondContact CA-O 3.41Å; T614-R618 PolarHBondContact N-O 3Å; T614-R618 VanDerWaalsContact N-O 3.08Å; T614-R618 WeakPolarHBondContact OG1-CB 3.4Å; T614-R618 PolarHBondContact OG1-NE 3.13Å; T614-R618 PolarHBondContact OG1-NH2 3.38Å; D616-R618 VanDerWaalsContact OD1-CB 3.32Å; D616-R618 WeakPolarHBondContact OD1-CB 3.41Å; D616-R618 PolarHBondContact OD1-N 3.37Å; R618-E622 HydrophobicContact CG-CB 3.93Å; R618-E622 WeakPolarHBondContact CG-OE2 3.26Å; R618-E622 PolarHBondContact NH1-O 3.03Å; R618-M631 HydrophobicContact CB-CE 4.36Å; R618-M631 HydrophobicContact CG-CE 3.76Å
619K97.5Very high96.9Very high93 Ų9325.8 Ų25.840%0.40415%0.148SC..PPolyproline II helixtrans-85154.6-174.6-58.7-58-174.5-1790113.1D551 N613 G617 G621 E622D551-K619 IonicContact OD1-NZ 3.64Å; N613-K619 VanDerWaalsContact OD1-CA 3.3Å; N613-K619 WeakPolarHBondContact OD1-CA 3.37Å; G617-K619 PolarHBondContact O-N 2.63Å; K619-G621 PolarHBondContact O-N 3.12Å; K619-E622 HydrophobicContact CB-CG 4.02Å; K619-E622 PolarHBondContact N-OE2 3.03Å; K619-E622 WeakPolarHBondContact O-CB 3.2Å; K619-E622 PolarHBondContact O-N 2.65Å; K619-E622 VanDerWaalsContact O-N 3.1Å
620A97.7Very high97Very high51 Ų5122.4 Ų22.442%0.42113%0.134SC..THydrogen-bonded Turntrans-53.9129178.600000111.2N613 E622N613-A620 PolarHBondContact OD1-N 3.34Å; A620-E622 VanDerWaalsContact C-N 3.29Å; A620-E622 PolarHBondContact O-N 3.43Å
621G95.2Very high97Very high28 Ų2819.3 Ų19.329%0.28912%0.121SC..THydrogen-bonded Turntrans85.4-16.4-179.600000116.1G608 T611 K619G608-G621 CarbonylContact C-O 3.57Å; G608-G621 CarbonylContact O-C 3.53Å; G608-G621 VanDerWaalsContact O-CA 3.25Å; G608-G621 WeakPolarHBondContact O-CA 3.42Å; G608-G621 PolarHBondContact O-N 3.42Å; T611-G621 PolarHBondContact O-N 3.07Å; T611-G621 VanDerWaalsContact O-N 3.09Å; K619-G621 PolarHBondContact O-N 3.12Å
622E94.6Very high96.5Very high89 Ų8921.3 Ų21.342%0.41613%0.13SC..PPolyproline II helixtrans-63.9138.9176.9-69-179.3165.300111G608 R618 K619 A620G608-E622 WeakPolarHBondContact CA-O 3.41Å; R618-E622 HydrophobicContact CG-CB 3.93Å; R618-E622 WeakPolarHBondContact CG-OE2 3.26Å; R618-E622 PolarHBondContact NH1-O 3.03Å; K619-E622 HydrophobicContact CB-CG 4.02Å; K619-E622 PolarHBondContact N-OE2 3.03Å; K619-E622 WeakPolarHBondContact O-CB 3.2Å; K619-E622 PolarHBondContact O-N 2.65Å; K619-E622 VanDerWaalsContact O-N 3.1Å; A620-E622 VanDerWaalsContact C-N 3.29Å; A620-E622 PolarHBondContact O-N 3.43Å
623P93.7Very high96.1Very high38 Ų3822.8 Ų22.825%0.24715%0.145CC..PPolyproline II helixtrans-56.2150.1176.3-25.835.1000113.2V605V605-P623 HydrophobicContact CG2-CB 4.16Å; V605-P623 HydrophobicContact CG2-CG 4.27Å
624F95.8Very high95.9Very high0 Ų023.1 Ų23.10%015%0.145CC..PPolyproline II helixtrans-75.8170.6162.5-58-19.3000110.8N432 A434 V526 N604 T611N432-F624 VanDerWaalsContact OD1-CE2 3.32Å; N432-F624 WeakPolarHBondContact OD1-CE2 3.47Å; A434-F624 HydrophobicContact CB-CE1 4.11Å; A434-F624 HydrophobicContact CB-CE2 4.05Å; A434-F624 HydrophobicContact CB-CZ 3.6Å; V526-F624 HydrophobicContact CG2-CB 4.34Å; V526-F624 HydrophobicContact CG2-CD1 3.77Å; V526-F624 HydrophobicContact CG2-CE1 4.34Å; V526-F624 HydrophobicContact CG2-CG 4.16Å; N604-F624 HydrophobicContact CB-CB 4.02Å; N604-F624 WeakPolarHBondContact CB-O 3.41Å; N604-F624 PolarHBondContact ND2-O 3.46Å; N604-F624 PolarHBondContact O-N 2.93Å; T611-F624 HydrophobicContact CG2-CE1 4.29Å; T611-F624 HydrophobicContact CG2-CZ 4.07Å; T611-F624 WeakPolarHBondContact OG1-CZ 3.32Å
625A94.3Very high95.8Very high1 Ų123.5 Ų23.51%0.00815%0.147CC..PPolyproline II helixtrans-62.7145165.200000111.7S525 N604 N629 P630 M631S525-A625 WeakPolarHBondContact OG-CB 3.28Å; N604-A625 WeakPolarHBondContact CB-O 3.21Å; A625-N629 HydrophobicContact CB-CB 3.9Å; A625-N629 WeakPolarHBondContact CB-O 3.37Å; A625-P630 VanDerWaalsContact CB-O 3.29Å; A625-P630 WeakPolarHBondContact CB-O 3.4Å; A625-M631 HydrophobicContact CB-SD 4.16Å; A625-M631 PolarHBondContact N-SD 3.36Å
626P94.6Very high95.5Very high2 Ų230.6 Ų30.61%0.01318%0.18CC..SBendtrans-69.1131.9171.729-34.5000110.8T600 A628 N629T600-P626 WeakPolarHBondContact OG1-CA 3.29Å; P626-A628 PolarHBondContact O-N 3.06Å; P626-N629 HydrophobicContact CG-CB 4.09Å; P626-N629 WeakPolarHBondContact O-CB 3.37Å; P626-N629 PolarHBondContact O-N 2.87Å; P626-N629 PolarHBondContact O-OD1 2.94Å
627G96Very high95.2Very high1 Ų135.9 Ų35.91%0.0120%0.203CC..THydrogen-bonded Turntrans55.6-126.717700000113.4T600T600-G627 PolarHBondContact OG1-N 2.94Å
628A97.9Very high95Very high0 Ų034.6 Ų34.60%019%0.19CC..THydrogen-bonded Turntrans-93.711.9178.800000113.3Y561 V598 P626 V646 I658 S659Y561-A628 VanDerWaalsContact CE1-O 3.3Å; Y561-A628 WeakPolarHBondContact CE1-O 3.41Å; Y561-A628 PolarHBondContact OH-O 3.4Å; V598-A628 HydrophobicContact CB-CB 3.96Å; V598-A628 HydrophobicContact CG1-CB 3.55Å; P626-A628 PolarHBondContact O-N 3.06Å; A628-V646 HydrophobicContact CB-CG1 4.18Å; A628-I658 HydrophobicContact CB-CG2 3.51Å; A628-S659 WeakPolarHBondContact CA-O 3.46Å; A628-S659 WeakPolarHBondContact CB-O 3.5Å; A628-S659 PolarHBondContact N-O 3.39Å
629N97.5Very high94.8Very high17 Ų1734.5 Ų34.59%0.09119%0.189CC..PPolyproline II helixtrans-62.9151.8179.2-81.272.4000112.4S525 A625 P626 N660 T661S525-N629 VanDerWaalsContact CB-O 3.24Å; S525-N629 WeakPolarHBondContact CB-O 3.29Å; S525-N629 PolarHBondContact OG-O 3.24Å; A625-N629 HydrophobicContact CB-CB 3.9Å; A625-N629 WeakPolarHBondContact CB-O 3.37Å; P626-N629 HydrophobicContact CG-CB 4.09Å; P626-N629 WeakPolarHBondContact O-CB 3.37Å; P626-N629 PolarHBondContact O-N 2.87Å; P626-N629 PolarHBondContact O-OD1 2.94Å; N629-N660 PolarHBondContact ND2-OD1 3.13Å; N629-N660 WeakPolarHBondContact OD1-CA 3.35Å; N629-N660 PolarHBondContact OD1-OD1 2.71Å; N629-T661 PolarHBondContact ND2-O 3.03Å; N629-T661 PolarHBondContact OD1-N 3.21Å
630P97.5Very high94.7Very high4 Ų434.2 Ų34.23%0.02619%0.192CC..PPolyproline II helixtrans-54.8149.6156.5-25.438.1000112Y561 G562 A625 D635Y561-P630 HydrophobicContact CD1-CB 4.38Å; Y561-P630 HydrophobicContact CD1-CG 4.17Å; Y561-P630 HydrophobicContact CE1-CG 4.24Å; Y561-P630 WeakPolarHBondContact O-CB 3.48Å; G562-P630 VanDerWaalsContact CA-CG 3.45Å; A625-P630 VanDerWaalsContact CB-O 3.29Å; A625-P630 WeakPolarHBondContact CB-O 3.4Å; P630-D635 HydrophobicContact CB-CB 3.81Å; P630-D635 HydrophobicContact CG-CB 3.89Å
631M96.3Very high94.7Very high13 Ų1333 Ų336%0.06418%0.181CC..PPolyproline II helixtrans-60.2140.9169.5-86.3-64.8-64.800110.1V526 R618 A625 G633 R634V526-M631 HydrophobicContact CG2-CE 4.47Å; V526-M631 HydrophobicContact CG2-CG 3.78Å; V526-M631 HydrophobicContact CG2-SD 3.47Å; V526-M631 WeakPolarHBondContact CG2-SD 3.48Å; R618-M631 HydrophobicContact CB-CE 4.36Å; R618-M631 HydrophobicContact CG-CE 3.76Å; A625-M631 HydrophobicContact CB-SD 4.16Å; A625-M631 PolarHBondContact N-SD 3.36Å; M631-G633 PolarHBondContact O-N 2.81Å; M631-R634 HydrophobicContact CB-CG 3.91Å; M631-R634 VanDerWaalsContact O-CB 3.24Å; M631-R634 WeakPolarHBondContact O-CB 2.99Å; M631-R634 WeakPolarHBondContact O-CG 3.37Å; M631-R634 PolarHBondContact O-N 3.27Å
632H88.8Confident94.8Very high41 Ų4131.8 Ų31.819%0.1917%0.167CC..THydrogen-bonded Turntrans-52.8127.4-170.5-55.613.8000111.9R634 D739 S742 R743H632-R634 VanDerWaalsContact C-N 3.26Å; H632-R634 PolarHBondContact O-N 3.04Å; H632-D739 IonicContact CD2-OD1 3.77Å; H632-D739 IonicContact CE1-OD1 3.5Å; H632-D739 IonicContact NE2-OD1 3.72Å; H632-D739 PolarHBondContact NE2-OD1 3.3Å; H632-S742 PolarHBondContact CD2-OG 3.35Å; H632-R743 WeakPolarHBondContact NE2-CG 3.31Å
633G90.6Very high94.9Very high37 Ų3727.7 Ų27.738%0.38115%0.148SC..THydrogen-bonded Turntrans75.72.8-18000000115.5M631 Q636 T744M631-G633 PolarHBondContact O-N 2.81Å; G633-Q636 WeakPolarHBondContact O-CG 3.48Å; G633-Q636 PolarHBondContact O-NE2 3.32Å; G633-T744 PolarHBondContact N-OG1 3.24Å
634R95.2Very high95.1Very high31 Ų3126.8 Ų26.812%0.11714%0.143CC..  trans-88.5-23.6178.1-60.5-161.1-174158.8-1113.7D529 K560 N563 D616 M631 H632 Q636D529-R634 VanDerWaalsContact CB-NH1 3.32Å; D529-R634 VanDerWaalsContact OD2-CD 3.27Å; D529-R634 WeakPolarHBondContact OD2-CD 3.43Å; D529-R634 IonicContact OD2-CZ 3.25Å; D529-R634 IonicContact OD2-NE 3.29Å; D529-R634 IonicContact OD2-NH1 2.94Å; D529-R634 PolarHBondContact OD2-NH1 2.87Å; K560-R634 HydrophobicContact CB-CB 4.09Å; K560-R634 HydrophobicContact CD-CB 4.18Å; K560-R634 HydrophobicContact CD-CG 4.22Å; N563-R634 PolarHBondContact ND2-O 3.03Å; N563-R634 PolarHBondContact OD1-O 3.31Å; D616-R634 PolarHBondContact O-NH2 2.97Å; D616-R634 IonicContact OD2-CZ 3.58Å; D616-R634 IonicContact OD2-NH1 2.63Å; D616-R634 PolarHBondContact OD2-NH1 3Å; D616-R634 IonicContact OD2-NH2 3.32Å; D616-R634 PolarHBondContact OD2-NH2 3.31Å; M631-R634 HydrophobicContact CB-CG 3.91Å; M631-R634 VanDerWaalsContact O-CB 3.24Å; M631-R634 WeakPolarHBondContact O-CB 2.99Å; M631-R634 WeakPolarHBondContact O-CG 3.37Å; M631-R634 PolarHBondContact O-N 3.27Å; H632-R634 VanDerWaalsContact C-N 3.26Å; H632-R634 PolarHBondContact O-N 3.04Å; R634-Q636 PolarHBondContact O-N 3.14Å
635D94.8Very high95.3Very high9 Ų926.8 Ų26.85%0.04814%0.143CC..  trans-83.687.717453.9-34000111.5G562 P630 S642 T744 H746G562-D635 WeakPolarHBondContact O-CB 3.42Å; P630-D635 HydrophobicContact CB-CB 3.81Å; P630-D635 HydrophobicContact CG-CB 3.89Å; D635-S642 PolarHBondContact OD2-OG 2.82Å; D635-T744 WeakPolarHBondContact OD1-CB 3.41Å; D635-T744 WeakPolarHBondContact OD1-CG2 3.45Å; D635-T744 PolarHBondContact OD1-OG1 3.04Å; D635-H746 IonicContact OD2-CE1 2.71Å; D635-H746 PolarHBondContact OD2-CE1 2.93Å; D635-H746 IonicContact OD2-NE2 3.37Å; D635-H746 PolarHBondContact OD2-NE2 3.3Å
636Q92.4Very high95.5Very high149 Ų14926.8 Ų26.870%0.69614%0.142SC*.  trans-106.7-4.9-167-63.6-178.9-10.100114.1N563 G633 R634N563-Q636 PolarHBondContact OD1-N 3.5Å; G633-Q636 WeakPolarHBondContact O-CG 3.48Å; G633-Q636 PolarHBondContact O-NE2 3.32Å; R634-Q636 PolarHBondContact O-N 3.14Å
637K94Very high95.6Very high115 Ų11527.1 Ų27.150%0.515%0.145SC..SBendtrans-95.926.7-179.2-63.1-169.2-162.9157.70114.5N563 S641N563-K637 HydrophobicContact CB-CD 4.11Å; N563-K637 HydrophobicContact CB-CG 4.21Å; N563-K637 WeakPolarHBondContact O-CD 3.29Å; N563-K637 PolarHBondContact O-NZ 3.43Å; N563-K637 PolarHBondContact OD1-N 2.95Å; K637-S641 WeakPolarHBondContact CB-OG 3.3Å; K637-S641 WeakPolarHBondContact O-CB 3.22Å; K637-S641 PolarHBondContact O-OG 3.5Å
638G93.2Very high95.8Very high5 Ų530 Ų305%0.05216%0.158CC..  trans86.7170.7178.400000114.6S641 S642G638-S641 PolarHBondContact O-N 3.36Å; G638-S642 PolarHBondContact O-N 3.31Å
639A93.4Very high95.8Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-57.9-48.7-175.700000113S641 S642 L643 F662 I664 H746 S748 M749A639-S641 VanDerWaalsContact C-N 3.33Å; A639-S641 PolarHBondContact O-N 2.78Å; A639-S642 PolarHBondContact O-N 2.91Å; A639-L643 VanDerWaalsContact O-CG 3.32Å; A639-L643 WeakPolarHBondContact O-CG 3.47Å; A639-L643 PolarHBondContact O-N 3.28Å; A639-F662 HydrophobicContact CB-CE2 3.48Å; A639-F662 VanDerWaalsContact CB-CE2 3.48Å; A639-F662 HydrophobicContact CB-CZ 3.53Å; A639-I664 HydrophobicContact CB-CD1 4.49Å; A639-H746 HydrophobicContact CB-CB 4.07Å; A639-S748 PolarHBondContact N-O 3.31Å; A639-S748 VanDerWaalsContact N-O 3.11Å; A639-M749 WeakPolarHBondContact CB-OXT 3.22Å; A639-M749 PolarHBondContact N-OXT 3.06Å
640L95.6Very high95.8Very high88 Ų8830.7 Ų30.746%0.46116%0.163SC..Hα-helixtrans-63.7-38.6-176-65.9177.3000111.7L643 S644 M683 M749L640-L643 PolarHBondContact O-N 2.97Å; L640-S644 WeakPolarHBondContact O-CB 3.38Å; L640-S644 PolarHBondContact O-N 3.1Å; L640-S644 PolarHBondContact O-OG 3.23Å; L640-M683 HydrophobicContact CD2-CG 4.22Å; L640-M749 WeakPolarHBondContact CB-OXT 3.21Å; L640-M749 VanDerWaalsContact CG-OXT 3.29Å; L640-M749 WeakPolarHBondContact CG-OXT 3.12Å; L640-M749 PolarHBondContact N-OXT 3.41Å
641S96.8Very high95.8Very high26 Ų2631.3 Ų31.318%0.18217%0.165CC..Hα-helixtrans-64.1-41.8176.6-600000112.1K637 G638 A639 S644 S645K637-S641 WeakPolarHBondContact CB-OG 3.3Å; K637-S641 WeakPolarHBondContact O-CB 3.22Å; K637-S641 PolarHBondContact O-OG 3.5Å; G638-S641 PolarHBondContact O-N 3.36Å; A639-S641 VanDerWaalsContact C-N 3.33Å; A639-S641 PolarHBondContact O-N 2.78Å; S641-S644 PolarHBondContact O-N 2.79Å; S641-S645 PolarHBondContact O-N 2.91Å
642S97.3Very high95.7Very high1 Ų136 Ų361%0.00719%0.19CC..Hα-helixtrans-64.3-47.1177.4-172.90000111.2G562 D635 G638 A639 S644 S645 V646G562-S642 VanDerWaalsContact O-CA 3.25Å; G562-S642 WeakPolarHBondContact O-CA 3.26Å; G562-S642 PolarHBondContact O-N 2.82Å; D635-S642 PolarHBondContact OD2-OG 2.82Å; G638-S642 PolarHBondContact O-N 3.31Å; A639-S642 PolarHBondContact O-N 2.91Å; S642-S644 PolarHBondContact O-N 3.39Å; S642-S645 PolarHBondContact O-N 2.79Å; S642-V646 WeakPolarHBondContact O-CG2 3.48Å; S642-V646 PolarHBondContact O-N 2.86Å; S642-V646 VanDerWaalsContact O-N 3.17Å
643L97.7Very high96.1Very high4 Ų435 Ų352%0.02119%0.188CC..Hα-helixtrans-60.8-44.4175.5-67.5177.4000112A639 L640 S645 V646 A647 F662 M683 Y687 L695A639-L643 VanDerWaalsContact O-CG 3.32Å; A639-L643 WeakPolarHBondContact O-CG 3.47Å; A639-L643 PolarHBondContact O-N 3.28Å; L640-L643 PolarHBondContact O-N 2.97Å; L643-S645 PolarHBondContact O-N 2.93Å; L643-V646 PolarHBondContact O-N 2.71Å; L643-A647 WeakPolarHBondContact O-CB 3.47Å; L643-A647 PolarHBondContact O-N 2.72Å; L643-F662 HydrophobicContact CD1-CE2 4.36Å; L643-F662 HydrophobicContact CD2-CD2 4Å; L643-F662 HydrophobicContact CD2-CE2 4.48Å; L643-F662 HydrophobicContact CD2-CG 4.43Å; L643-F662 HydrophobicContact CG-CD2 4.31Å; L643-F662 HydrophobicContact CG-CE2 4.33Å; L643-M683 HydrophobicContact CD1-CG 3.45Å; L643-M683 VanDerWaalsContact CD1-CG 3.45Å; L643-M683 HydrophobicContact CD1-SD 3.6Å; L643-Y687 HydrophobicContact CB-CD2 3.84Å; L643-Y687 HydrophobicContact CB-CE2 4.29Å; L643-Y687 HydrophobicContact CD2-CD2 4.15Å; L643-Y687 HydrophobicContact CD2-CE2 4.27Å; L643-Y687 HydrophobicContact CG-CD2 4.48Å; L643-Y687 VanDerWaalsContact O-CE2 3.3Å; L643-Y687 WeakPolarHBondContact O-CE2 3.49Å; L643-L695 HydrophobicContact CD2-CD1 3.56Å; L643-L695 HydrophobicContact CD2-CD2 3.93Å; L643-L695 HydrophobicContact CD2-CG 4.44Å
644S98.2Very high96.4Very high18 Ų1833.2 Ų33.213%0.12617%0.17CC..Hα-helixtrans-63-40178.3-73.80000113.1L640 S641 S642 A647 K648 Q690L640-S644 WeakPolarHBondContact O-CB 3.38Å; L640-S644 PolarHBondContact O-N 3.1Å; L640-S644 PolarHBondContact O-OG 3.23Å; S641-S644 PolarHBondContact O-N 2.79Å; S642-S644 PolarHBondContact O-N 3.39Å; S644-A647 PolarHBondContact O-N 2.79Å; S644-K648 WeakPolarHBondContact O-CG 3.42Å; S644-K648 PolarHBondContact O-N 2.64Å; S644-Q690 PolarHBondContact OG-NE2 3.29Å; S644-Q690 PolarHBondContact OG-OE1 3.5Å
645S98.5Very high96.5Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-61.3-45.1173.7-76.20000111.8G562 N563 N564 D569 S641 S642 L643 A647 K648G562-S645 WeakPolarHBondContact CA-OG 3.38Å; G562-S645 PolarHBondContact N-OG 2.9Å; N563-S645 PolarHBondContact N-OG 3.16Å; N564-S645 VanDerWaalsContact CA-OG 3.3Å; N564-S645 WeakPolarHBondContact CA-OG 3.45Å; N564-S645 PolarHBondContact N-OG 2.81Å; D569-S645 VanDerWaalsContact CG-OG 3.25Å; D569-S645 WeakPolarHBondContact OD1-CB 3.35Å; D569-S645 PolarHBondContact OD1-OG 3Å; D569-S645 PolarHBondContact OD2-OG 3Å; S641-S645 PolarHBondContact O-N 2.91Å; S642-S645 PolarHBondContact O-N 2.79Å; L643-S645 PolarHBondContact O-N 2.93Å; S645-A647 VanDerWaalsContact C-N 3.33Å; S645-A647 PolarHBondContact O-N 2.71Å; S645-K648 WeakPolarHBondContact O-CB 3.49Å; S645-K648 PolarHBondContact O-N 3.39Å
646V98.4Very high96.7Very high1 Ų134 Ų341%0.00617%0.173CC..Hα-helixtrans-69.7-33.4-178.5-177.20000111.7Y561 A628 S642 L643 K648 I649 I658 N660Y561-V646 HydrophobicContact CE1-CG2 4.44Å; Y561-V646 WeakPolarHBondContact OH-CA 3.43Å; A628-V646 HydrophobicContact CB-CG1 4.18Å; S642-V646 WeakPolarHBondContact O-CG2 3.48Å; S642-V646 PolarHBondContact O-N 2.86Å; S642-V646 VanDerWaalsContact O-N 3.17Å; L643-V646 PolarHBondContact O-N 2.71Å; V646-K648 PolarHBondContact O-N 2.78Å; V646-I649 PolarHBondContact O-N 3.1Å; V646-I658 HydrophobicContact CG1-CG2 4.43Å; V646-N660 HydrophobicContact CG1-CB 3.93Å
647A98.3Very high97Very high9 Ų926.9 Ų26.97%0.07414%0.14CC..Hα-helixtrans-64.4-20.4176.200000113.5L643 S644 S645 I649 Y687 Q690L643-A647 WeakPolarHBondContact O-CB 3.47Å; L643-A647 PolarHBondContact O-N 2.72Å; S644-A647 PolarHBondContact O-N 2.79Å; S645-A647 VanDerWaalsContact C-N 3.33Å; S645-A647 PolarHBondContact O-N 2.71Å; A647-I649 VanDerWaalsContact C-N 3.3Å; A647-I649 PolarHBondContact O-N 2.71Å; A647-Y687 HydrophobicContact CB-CD2 4.03Å; A647-Y687 HydrophobicContact CB-CE2 3.76Å; A647-Q690 HydrophobicContact CB-CB 3.85Å
648K98.6Very high97.2Very high62 Ų6221.5 Ų21.527%0.2712%0.117SC..THydrogen-bonded Turntrans-72-20.2175.6-68.3172.4-174.3173.50113.6N564 D566 D569 V573 S644 S645 V646 P650N564-K648 WeakPolarHBondContact OD1-CE 3.21Å; N564-K648 PolarHBondContact OD1-NZ 2.99Å; D566-K648 IonicContact OD1-NZ 2.67Å; D566-K648 PolarHBondContact OD1-NZ 3.06Å; D569-K648 HydrophobicContact CB-CD 3.79Å; D569-K648 IonicContact OD2-NZ 2.73Å; D569-K648 PolarHBondContact OD2-NZ 2.66Å; V573-K648 HydrophobicContact CG2-CB 4.28Å; V573-K648 WeakPolarHBondContact CG2-O 3.4Å; S644-K648 WeakPolarHBondContact O-CG 3.42Å; S644-K648 PolarHBondContact O-N 2.64Å; S645-K648 WeakPolarHBondContact O-CB 3.49Å; S645-K648 PolarHBondContact O-N 3.39Å; V646-K648 PolarHBondContact O-N 2.78Å; K648-P650 WeakPolarHBondContact O-CD 3.48Å
649I98.5Very high97.4Very high3 Ų321.3 Ų21.32%0.01511%0.114CC..SBendtrans-65.2123.3180-58.2-58000109.2L524 Y561 A572 V573 V576 V598 V646 A647 Y651 I658L524-I649 HydrophobicContact CD2-CD1 4.04Å; Y561-I649 HydrophobicContact CE2-CD1 4.31Å; Y561-I649 WeakPolarHBondContact OH-CG1 3.35Å; A572-I649 HydrophobicContact CB-CD1 3.85Å; V573-I649 HydrophobicContact CG2-CD1 4.29Å; V576-I649 HydrophobicContact CG1-CG2 4.39Å; V576-I649 HydrophobicContact CG2-CG2 4.18Å; V598-I649 HydrophobicContact CG2-CG2 4.27Å; V646-I649 PolarHBondContact O-N 3.1Å; A647-I649 VanDerWaalsContact C-N 3.3Å; A647-I649 PolarHBondContact O-N 2.71Å; I649-Y651 PolarHBondContact O-N 3.37Å; I649-I658 HydrophobicContact CB-CD1 4.03Å; I649-I658 HydrophobicContact CB-CG2 4.28Å; I649-I658 HydrophobicContact CG2-CD1 3.67Å; I649-I658 HydrophobicContact CG2-CG1 4.05Å; I649-I658 HydrophobicContact CG2-CG2 4.19Å; I649-I658 VanDerWaalsContact O-CD1 3.26Å; I649-I658 WeakPolarHBondContact O-CD1 3.49Å
650P97.4Very high97.7Very high29 Ų2921.4 Ų21.419%0.18812%0.115CC..  trans-74.8115.2-169.227.2-34.3000111.7V573 V576 E577 K648 D652 C653 C654V573-P650 HydrophobicContact CG1-CG 4.23Å; V576-P650 HydrophobicContact CG1-CG 4.03Å; E577-P650 HydrophobicContact CG-CG 4.01Å; K648-P650 WeakPolarHBondContact O-CD 3.48Å; P650-D652 PolarHBondContact O-N 2.88Å; P650-C653 HydrophobicContact CG-CB 4.16Å; P650-C653 PolarHBondContact O-N 3.14Å; P650-C653 VanDerWaalsContact O-N 3.17Å; P650-C654 PolarHBondContact O-N 3.16Å
651Y97.6Very high97.7Very high16 Ų1617.6 Ų17.66%0.06310%0.095CC..G310 helixtrans-60.1-32.8177.6-178.3-119.2000113.3I400 M401 Y405 I649 C653 C654 K655 I658 H693I400-Y651 HydrophobicContact CD1-CD1 3.92Å; I400-Y651 HydrophobicContact CD1-CG 3.91Å; I400-Y651 HydrophobicContact CG1-CD1 4.17Å; M401-Y651 HydrophobicContact CG-CE1 4.06Å; Y405-Y651 WeakPolarHBondContact CE2-OH 3.28Å; I649-Y651 PolarHBondContact O-N 3.37Å; Y651-C653 PolarHBondContact O-N 3.37Å; Y651-C654 WeakPolarHBondContact CD2-O 3.42Å; Y651-C654 WeakPolarHBondContact CE2-O 3.41Å; Y651-C654 CarbonylContact O-C 3.55Å; Y651-C654 WeakPolarHBondContact O-CA 3.42Å; Y651-C654 PolarHBondContact O-N 3.21Å; Y651-K655 PolarHBondContact O-N 3.24Å; Y651-K655 PolarHBondContact OH-O 3.06Å; Y651-I658 HydrophobicContact CD2-CD1 4.43Å; Y651-H693 HydrophobicContact CD2-CB 4.32Å; Y651-H693 AromaticContact CD2-CD2 3.21Å; Y651-H693 WeakPolarHBondContact CD2-CD2 3.27Å; Y651-H693 AromaticContact CD2-CG 3.83Å; Y651-H693 AromaticContact CD2-NE2 3.77Å; Y651-H693 AromaticContact CE2-CD2 3.04Å; Y651-H693 WeakPolarHBondContact CE2-CD2 3.49Å; Y651-H693 AromaticContact CE2-CG 3.95Å; Y651-H693 AromaticContact CE2-NE2 3.08Å; Y651-H693 WeakPolarHBondContact CE2-NE2 3.4Å; Y651-H693 AromaticContact CG-CD2 3.94Å; Y651-H693 AromaticContact CZ-CD2 3.62Å; Y651-H693 AromaticContact CZ-NE2 3.55Å
652D95.3Very high97.6Very high112 Ų11216.5 Ų16.560%0.5999%0.087SC*.G310 helixtrans-62.1-26.6178.3-78-25.1000114.1P650P650-D652 PolarHBondContact O-N 2.88Å
653C95.9Very high97.5Very high20 Ų2016.8 Ų16.814%0.1359%0.089CC..G310 helixtrans-88.6-16.7171.5-66.80000112.3V576 M580 P650 Y651V576-C653 HydrophobicContact CG1-CB 3.78Å; M580-C653 HydrophobicContact CB-CB 4.21Å; M580-C653 HydrophobicContact CG-CB 4.32Å; M580-C653 WeakPolarHBondContact CG-O 3.38Å; M580-C653 VanDerWaalsContact SD-O 3.33Å; P650-C653 HydrophobicContact CG-CB 4.16Å; P650-C653 PolarHBondContact O-N 3.14Å; P650-C653 VanDerWaalsContact O-N 3.17Å; Y651-C653 PolarHBondContact O-N 3.37Å
654C97.9Very high97.4Very high0 Ų016.6 Ų16.60%09%0.088CC..  trans-121.443.5-173.8-66.90000112.2V576 M596 P650 Y651 D656 G657 I658V576-C654 WeakPolarHBondContact CG1-SG 3.18Å; M596-C654 CarbonylContact O-C 2.98Å; M596-C654 WeakPolarHBondContact O-CA 3.45Å; P650-C654 PolarHBondContact O-N 3.16Å; Y651-C654 WeakPolarHBondContact CD2-O 3.42Å; Y651-C654 WeakPolarHBondContact CE2-O 3.41Å; Y651-C654 CarbonylContact O-C 3.55Å; Y651-C654 WeakPolarHBondContact O-CA 3.42Å; Y651-C654 PolarHBondContact O-N 3.21Å; C654-D656 PolarHBondContact O-N 3.37Å; C654-G657 WeakPolarHBondContact O-CA 3.49Å; C654-G657 PolarHBondContact O-N 3.41Å; C654-I658 HydrophobicContact CB-CD1 3.83Å; C654-I658 HydrophobicContact CB-CG1 3.43Å; C654-I658 VanDerWaalsContact CB-CG1 3.43Å
655K97.4Very high97.2Very high52 Ų5216 Ų1623%0.2268%0.084CC..THydrogen-bonded Turntrans-61.4-14.3-175.5-74-167.4176.1-170.60115.2Y405 T595 M596 Y651 G657Y405-K655 PolarHBondContact OH-O 3.36Å; T595-K655 HydrophobicContact CG2-CB 4.04Å; M596-K655 PolarHBondContact O-N 3.25Å; Y651-K655 PolarHBondContact O-N 3.24Å; Y651-K655 PolarHBondContact OH-O 3.06Å; K655-G657 VanDerWaalsContact C-N 3.29Å
656D98.4Very high97Very high3 Ų317.5 Ų17.52%0.0169%0.094CC..THydrogen-bonded Turntrans-83.4-6.1170.6-166.265.4000112.9R177 V415 S416 A518 M596 S597 C654R177-D656 IonicContact CZ-OD1 2.79Å; R177-D656 IonicContact CZ-OD2 3.48Å; R177-D656 IonicContact NH1-OD1 3.49Å; R177-D656 PolarHBondContact NH1-OD1 3.07Å; R177-D656 IonicContact NH1-OD2 3.56Å; R177-D656 PolarHBondContact NH1-OD2 3.02Å; R177-D656 IonicContact NH2-OD1 3.61Å; R177-D656 IonicContact NH2-OD2 2.67Å; R177-D656 PolarHBondContact NH2-OD2 3.07Å; V415-D656 CarbonylContact C-O 3.16Å; S416-D656 WeakPolarHBondContact CA-O 3.24Å; S416-D656 WeakPolarHBondContact CB-O 3.38Å; S416-D656 WeakPolarHBondContact CB-OD1 3.49Å; S416-D656 PolarHBondContact OG-O 3.27Å; S416-D656 PolarHBondContact OG-OD1 2.69Å; S416-D656 PolarHBondContact OG-OD2 2.97Å; A518-D656 HydrophobicContact CB-CB 4.32Å; A518-D656 VanDerWaalsContact CB-OD1 3.24Å; A518-D656 WeakPolarHBondContact CB-OD1 3.08Å; M596-D656 WeakPolarHBondContact O-CB 3.4Å; M596-D656 PolarHBondContact O-N 3.44Å; S597-D656 WeakPolarHBondContact CB-OD2 3.49Å; S597-D656 PolarHBondContact OG-OD2 3.21Å; C654-D656 PolarHBondContact O-N 3.37Å
657G98.1Very high96.7Very high0 Ų024.1 Ų24.10%012%0.122CC..EExtended strand (participates in β ladder)trans118.8153.6166.900000115.2V415 S597 V598 C654 K655V415-G657 VanDerWaalsContact O-CA 3.32Å; V415-G657 WeakPolarHBondContact O-CA 3.37Å; S597-G657 CarbonylContact C-O 3.58Å; S597-G657 WeakPolarHBondContact CA-O 3.21Å; S597-G657 WeakPolarHBondContact CB-O 3.41Å; V598-G657 PolarHBondContact N-O 3.04Å; C654-G657 WeakPolarHBondContact O-CA 3.49Å; C654-G657 PolarHBondContact O-N 3.41Å; K655-G657 VanDerWaalsContact C-N 3.29Å
658I98.7Very high96.5Very high3 Ų324.5 Ų24.52%0.01512%0.124CC..EExtended strand (participates in β ladder)trans-119.2108.2177.2-56.9160.9000107.8V598 A628 V646 I649 Y651 C654 H693 H694V598-I658 HydrophobicContact CB-CG2 4.43Å; A628-I658 HydrophobicContact CB-CG2 3.51Å; V646-I658 HydrophobicContact CG1-CG2 4.43Å; I649-I658 HydrophobicContact CB-CD1 4.03Å; I649-I658 HydrophobicContact CB-CG2 4.28Å; I649-I658 HydrophobicContact CG2-CD1 3.67Å; I649-I658 HydrophobicContact CG2-CG1 4.05Å; I649-I658 HydrophobicContact CG2-CG2 4.19Å; I649-I658 VanDerWaalsContact O-CD1 3.26Å; I649-I658 WeakPolarHBondContact O-CD1 3.49Å; Y651-I658 HydrophobicContact CD2-CD1 4.43Å; C654-I658 HydrophobicContact CB-CD1 3.83Å; C654-I658 HydrophobicContact CB-CG1 3.43Å; C654-I658 VanDerWaalsContact CB-CG1 3.43Å; I658-H693 HydrophobicContact CB-CB 4.05Å; I658-H693 HydrophobicContact CD1-CB 4.3Å; I658-H693 PolarHBondContact N-ND1 3.08Å; I658-H694 WeakPolarHBondContact O-CB 3.5Å
659S98.3Very high96.3Very high0 Ų021.5 Ų21.50%011%0.112CC..  trans-90.5127.8-175.2-172.80000112.1V598 A628 G724V598-S659 PolarHBondContact O-N 2.91Å; A628-S659 WeakPolarHBondContact CA-O 3.46Å; A628-S659 WeakPolarHBondContact CB-O 3.5Å; A628-S659 PolarHBondContact N-O 3.39Å; S659-G724 PolarHBondContact OG-N 3.43Å
660N97.8Very high96.1Very high2 Ų222 Ų221%0.01112%0.117CC..  trans-125.9126.8173-169.58.9000110.4N629 V646 H694 L695 N696N629-N660 PolarHBondContact ND2-OD1 3.13Å; N629-N660 WeakPolarHBondContact OD1-CA 3.35Å; N629-N660 PolarHBondContact OD1-OD1 2.71Å; V646-N660 HydrophobicContact CG1-CB 3.93Å; N660-H694 WeakPolarHBondContact CB-O 3.32Å; N660-H694 PolarHBondContact N-ND1 2.87Å; N660-H694 VanDerWaalsContact N-ND1 3.2Å; N660-H694 PolarHBondContact O-CE1 2.87Å; N660-H694 VanDerWaalsContact O-CE1 3.27Å; N660-H694 PolarHBondContact O-ND1 3.5Å; N660-L695 HydrophobicContact CB-CD1 4.05Å; N660-L695 WeakPolarHBondContact ND2-CD1 3.5Å; N660-N696 WeakPolarHBondContact O-CB 3.43Å; N660-N696 PolarHBondContact O-N 3.02Å
661T96.5Very high95.8Very high8 Ų829.7 Ų29.75%0.04915%0.147CC..EExtended strand (participates in β ladder)trans-109105.2177.1-57.70000110.9N629 N696 R721 V722N629-T661 PolarHBondContact ND2-O 3.03Å; N629-T661 PolarHBondContact OD1-N 3.21Å; T661-N696 HydrophobicContact CG2-CB 4.16Å; T661-N696 PolarHBondContact OG1-ND2 2.89Å; T661-R721 WeakPolarHBondContact CG2-O 3.35Å; T661-V722 PolarHBondContact OG1-O 3.02Å
662F94.8Very high95.7Very high3 Ų334.2 Ų34.21%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-106.5129-173.3174.5-95.1000111.1A639 L643 I664 M683 L695 N696 I697 N698 H746A639-F662 HydrophobicContact CB-CE2 3.48Å; A639-F662 VanDerWaalsContact CB-CE2 3.48Å; A639-F662 HydrophobicContact CB-CZ 3.53Å; L643-F662 HydrophobicContact CD1-CE2 4.36Å; L643-F662 HydrophobicContact CD2-CD2 4Å; L643-F662 HydrophobicContact CD2-CE2 4.48Å; L643-F662 HydrophobicContact CD2-CG 4.43Å; L643-F662 HydrophobicContact CG-CD2 4.31Å; L643-F662 HydrophobicContact CG-CE2 4.33Å; F662-I664 HydrophobicContact CD1-CB 4.48Å; F662-I664 HydrophobicContact CD1-CG2 4.4Å; F662-I664 HydrophobicContact CE1-CB 3.59Å; F662-I664 HydrophobicContact CE1-CD1 4.28Å; F662-I664 HydrophobicContact CE1-CG2 3.61Å; F662-I664 HydrophobicContact CZ-CB 3.8Å; F662-I664 HydrophobicContact CZ-CD1 3.95Å; F662-I664 HydrophobicContact CZ-CG1 4.4Å; F662-I664 HydrophobicContact CZ-CG2 4.3Å; F662-M683 HydrophobicContact CE1-CE 4.27Å; F662-M683 HydrophobicContact CE1-SD 3.64Å; F662-M683 HydrophobicContact CE2-SD 4.37Å; F662-M683 HydrophobicContact CZ-CE 4.23Å; F662-M683 HydrophobicContact CZ-SD 3.54Å; F662-M683 VanDerWaalsContact CZ-SD 3.54Å; F662-L695 HydrophobicContact CB-CD1 3.58Å; F662-L695 HydrophobicContact CB-CG 4.28Å; F662-L695 HydrophobicContact CG-CD1 4.38Å; F662-N696 WeakPolarHBondContact CB-O 3.34Å; F662-N696 PolarHBondContact N-O 3.07Å; F662-I697 HydrophobicContact CB-CD1 4.43Å; F662-I697 HydrophobicContact CD1-CD1 3.57Å; F662-I697 HydrophobicContact CE1-CD1 4.26Å; F662-I697 HydrophobicContact CG-CD1 4.37Å; F662-N698 PolarHBondContact O-N 3.36Å; F662-H746 AromaticContact CD2-CD2 3.5Å; F662-H746 AromaticContact CD2-NE2 3.71Å; F662-H746 AromaticContact CE2-CD2 3.13Å; F662-H746 WeakPolarHBondContact CE2-CD2 3.36Å; F662-H746 AromaticContact CE2-CG 3.94Å; F662-H746 AromaticContact CE2-NE2 3.61Å; F662-H746 AromaticContact CZ-CD2 3.93Å
663S95.4Very high95.6Very high7 Ų732.3 Ų32.35%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-122.8127176.8-59.70000109.9N698 H746S663-N698 WeakPolarHBondContact CA-O 3.49Å; S663-N698 WeakPolarHBondContact OG-CB 3.49Å; S663-N698 PolarHBondContact OG-ND2 2.66Å; S663-H746 PolarHBondContact O-CD2 2.64Å; S663-H746 VanDerWaalsContact O-CD2 3.31Å; S663-H746 PolarHBondContact O-N 3.25Å
664I95.4Very high95.5Very high0 Ų037.9 Ų37.90%019%0.187CC..EExtended strand (participates in β ladder)trans-130.9142179.2-172.3159.6000110.2A639 F662 L669 M683 N698 V699 F700 H746A639-I664 HydrophobicContact CB-CD1 4.49Å; F662-I664 HydrophobicContact CD1-CB 4.48Å; F662-I664 HydrophobicContact CD1-CG2 4.4Å; F662-I664 HydrophobicContact CE1-CB 3.59Å; F662-I664 HydrophobicContact CE1-CD1 4.28Å; F662-I664 HydrophobicContact CE1-CG2 3.61Å; F662-I664 HydrophobicContact CZ-CB 3.8Å; F662-I664 HydrophobicContact CZ-CD1 3.95Å; F662-I664 HydrophobicContact CZ-CG1 4.4Å; F662-I664 HydrophobicContact CZ-CG2 4.3Å; I664-L669 HydrophobicContact CD1-CD2 3.76Å; I664-L669 HydrophobicContact CD1-CG 3.9Å; I664-L669 HydrophobicContact CG1-CG 4.21Å; I664-L669 HydrophobicContact CG2-CD1 3.85Å; I664-L669 HydrophobicContact CG2-CD2 4.25Å; I664-L669 HydrophobicContact CG2-CG 3.93Å; I664-M683 HydrophobicContact CD1-CE 4.12Å; I664-N698 PolarHBondContact N-O 3.24Å; I664-V699 HydrophobicContact CG2-CG2 4.1Å; I664-V699 WeakPolarHBondContact O-CA 3.37Å; I664-F700 PolarHBondContact O-N 3.22Å; I664-H746 HydrophobicContact CB-CB 4.49Å; I664-H746 HydrophobicContact CG1-CB 4.32Å
665V94.5Very high95.4Very high7 Ų740.3 Ų40.34%0.04220%0.2CC..  trans-77.7142.2174.3-59.50000110.1K667 S668 F745 H746V665-K667 VanDerWaalsContact C-N 3.28Å; V665-K667 HydrophobicContact CB-CG 4.42Å; V665-K667 HydrophobicContact CG2-CD 4.32Å; V665-K667 HydrophobicContact CG2-CG 3.65Å; V665-K667 PolarHBondContact O-N 2.95Å; V665-K667 VanDerWaalsContact O-N 3.15Å; V665-S668 WeakPolarHBondContact CG2-OG 3.39Å; V665-S668 WeakPolarHBondContact O-CB 3.4Å; V665-S668 PolarHBondContact O-N 3.42Å; V665-F745 HydrophobicContact CG1-CB 4.3Å; V665-F745 HydrophobicContact CG1-CD1 4.42Å; V665-H746 PolarHBondContact N-O 3.43Å
666P92.9Very high95.4Very high30 Ų3039.2 Ų39.220%0.19520%0.196CC..Hα-helixtrans-53.4-41.5-174.2-26.330.6000114.2S668 L669 G670 Q676 V699P666-S668 PolarHBondContact O-N 3.22Å; P666-S668 VanDerWaalsContact O-N 3.12Å; P666-L669 PolarHBondContact O-N 3.1Å; P666-L669 VanDerWaalsContact O-N 3.07Å; P666-G670 PolarHBondContact O-N 3.25Å; P666-Q676 PolarHBondContact O-NE2 3.35Å; P666-V699 HydrophobicContact CB-CG1 4.3Å; P666-V699 HydrophobicContact CG-CG1 4.01Å
667K93.3Very high95.3Very high140 Ų14040.2 Ų40.261%0.60920%0.201SC*.Hα-helixtrans-59.1-25.5179.564.2176-179.3-177.20113.8V665V665-K667 VanDerWaalsContact C-N 3.28Å; V665-K667 HydrophobicContact CB-CG 4.42Å; V665-K667 HydrophobicContact CG2-CD 4.32Å; V665-K667 HydrophobicContact CG2-CG 3.65Å; V665-K667 PolarHBondContact O-N 2.95Å; V665-K667 VanDerWaalsContact O-N 3.15Å
668S93.8Very high95.2Very high17 Ų1746.6 Ų46.612%0.11923%0.225CC..Hα-helixtrans-83.3-21.2-178.4-56.70000112.2V665 P666 E747V665-S668 WeakPolarHBondContact CG2-OG 3.39Å; V665-S668 WeakPolarHBondContact O-CB 3.4Å; V665-S668 PolarHBondContact O-N 3.42Å; P666-S668 PolarHBondContact O-N 3.22Å; P666-S668 VanDerWaalsContact O-N 3.12Å; S668-E747 WeakPolarHBondContact OG-CA 3.26Å; S668-E747 PolarHBondContact OG-O 3.12Å
669L94.9Very high95.2Very high0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-78-28.5169.8-73.2174.1000112.2I388 I664 P666 Q676 N679 L680 M683 V699I388-L669 HydrophobicContact CD1-CD1 4.42Å; I388-L669 HydrophobicContact CG1-CD1 4.09Å; I664-L669 HydrophobicContact CD1-CD2 3.76Å; I664-L669 HydrophobicContact CD1-CG 3.9Å; I664-L669 HydrophobicContact CG1-CG 4.21Å; I664-L669 HydrophobicContact CG2-CD1 3.85Å; I664-L669 HydrophobicContact CG2-CD2 4.25Å; I664-L669 HydrophobicContact CG2-CG 3.93Å; P666-L669 PolarHBondContact O-N 3.1Å; P666-L669 VanDerWaalsContact O-N 3.07Å; L669-Q676 HydrophobicContact CB-CB 4Å; L669-Q676 HydrophobicContact CB-CG 3.9Å; L669-N679 VanDerWaalsContact O-CB 3.27Å; L669-N679 WeakPolarHBondContact O-CB 3.48Å; L669-N679 PolarHBondContact O-ND2 3.3Å; L669-L680 HydrophobicContact CD1-CB 4.48Å; L669-L680 HydrophobicContact CD2-CB 4.06Å; L669-L680 HydrophobicContact CD2-CD1 4.47Å; L669-M683 HydrophobicContact CD2-CE 3.43Å; L669-M683 VanDerWaalsContact CD2-CE 3.43Å; L669-V699 HydrophobicContact CD1-CG1 3.83Å; L669-V699 HydrophobicContact CD1-CG2 3.97Å
670G94.3Very high95.1Very high12 Ų1248 Ų4812%0.12423%0.233CC..  trans159.2163.7-178.500000112.4P666 Q676P666-G670 PolarHBondContact O-N 3.25Å; G670-Q676 WeakPolarHBondContact O-CG 3.3Å; G670-Q676 PolarHBondContact O-NE2 2.94Å
671K91.1Very high95.2Very high191 Ų19148.5 Ų48.583%0.8324%0.236SC*.SBendtrans-79.4-43.1177.8-66.3-175.6-179.7-179.90111.8
672E94.2Very high95.2Very high112 Ų11251.5 Ų51.552%0.52326%0.257SS..SBendtrans-102.9150-179.2-56.4-54.8140.500110.8E674 D675 Q676E672-E674 VanDerWaalsContact C-N 3.27Å; E672-E674 PolarHBondContact O-N 2.94Å; E672-D675 WeakPolarHBondContact O-CB 3.48Å; E672-D675 PolarHBondContact O-N 3.16Å; E672-D675 VanDerWaalsContact O-N 3.07Å; E672-Q676 WeakPolarHBondContact O-CG 3.48Å; E672-Q676 PolarHBondContact O-N 2.9Å
673P93.2Very high95.3Very high71 Ų7151.7 Ų51.746%0.46126%0.258SS..Hα-helixtrans-53.9-38.6179.2-27.636.1000114.2Q676 N677P673-Q676 PolarHBondContact O-N 2.81Å; P673-N677 VanDerWaalsContact O-CG 3.27Å; P673-N677 PolarHBondContact O-N 3.44Å; P673-N677 PolarHBondContact O-ND2 3.08Å
674E94.5Very high95.4Very high137 Ų13751.5 Ų51.564%0.6426%0.257SS*.Hα-helixtrans-64.9-39.9177.9-66.877.1-168.900112E672 R678E672-E674 VanDerWaalsContact C-N 3.27Å; E672-E674 PolarHBondContact O-N 2.94Å; E674-R678 WeakPolarHBondContact O-CB 3.44Å; E674-R678 PolarHBondContact O-N 3.1Å
675D95.9Very high95.6Very high52 Ų5253 Ų5328%0.27827%0.265SS..Hα-helixtrans-66.7-39.6175.3-74-33.1000111E672 R678 N679E672-D675 WeakPolarHBondContact O-CB 3.48Å; E672-D675 PolarHBondContact O-N 3.16Å; E672-D675 VanDerWaalsContact O-N 3.07Å; D675-R678 PolarHBondContact O-N 3.42Å; D675-R678 IonicContact OD1-CZ 3Å; D675-R678 IonicContact OD1-NH1 2.71Å; D675-R678 PolarHBondContact OD1-NH1 3.32Å; D675-R678 IonicContact OD1-NH2 3.53Å; D675-R678 PolarHBondContact OD1-NH2 3.13Å; D675-N679 VanDerWaalsContact O-CB 3.28Å; D675-N679 WeakPolarHBondContact O-CB 3.27Å; D675-N679 PolarHBondContact O-N 3.24Å; D675-N679 PolarHBondContact O-ND2 2.84Å
676Q96.7Very high95.7Very high28 Ų2854 Ų5413%0.13128%0.276CS..Hα-helixtrans-61.1-47.7176.6-66.7175.6-1.900111.5I388 P666 L669 G670 E672 P673 R678 N679 L680I388-Q676 HydrophobicContact CD1-CB 3.79Å; P666-Q676 PolarHBondContact O-NE2 3.35Å; L669-Q676 HydrophobicContact CB-CB 4Å; L669-Q676 HydrophobicContact CB-CG 3.9Å; G670-Q676 WeakPolarHBondContact O-CG 3.3Å; G670-Q676 PolarHBondContact O-NE2 2.94Å; E672-Q676 WeakPolarHBondContact O-CG 3.48Å; E672-Q676 PolarHBondContact O-N 2.9Å; P673-Q676 PolarHBondContact O-N 2.81Å; Q676-R678 PolarHBondContact O-N 3.36Å; Q676-N679 PolarHBondContact O-N 2.92Å; Q676-L680 WeakPolarHBondContact O-CB 3.38Å; Q676-L680 PolarHBondContact O-N 2.79Å
677N96.9Very high96Very high24 Ų2453.1 Ų53.113%0.12827%0.269CS..Hα-helixtrans-60.4-46.7177.4-67.4-27000111.6T381 K385 I388 P673 T681T381-N677 HydrophobicContact CG2-CB 4.2Å; K385-N677 VanDerWaalsContact CA-OD1 3.27Å; K385-N677 WeakPolarHBondContact CA-OD1 3.36Å; K385-N677 PolarHBondContact N-OD1 3.17Å; I388-N677 WeakPolarHBondContact CD1-OD1 3.38Å; P673-N677 VanDerWaalsContact O-CG 3.27Å; P673-N677 PolarHBondContact O-N 3.44Å; P673-N677 PolarHBondContact O-ND2 3.08Å; N677-T681 WeakPolarHBondContact O-CB 3.32Å; N677-T681 PolarHBondContact O-N 3.31Å; N677-T681 PolarHBondContact O-OG1 3.27Å
678R97Very high96.2Very high134 Ų13446.8 Ų46.851%0.50624%0.243SC..Hα-helixtrans-62.5-47.4179.6-173.9-175.968.1-130.1-8.3111.3E674 D675 Q676 T681 S682E674-R678 WeakPolarHBondContact O-CB 3.44Å; E674-R678 PolarHBondContact O-N 3.1Å; D675-R678 PolarHBondContact O-N 3.42Å; D675-R678 IonicContact OD1-CZ 3Å; D675-R678 IonicContact OD1-NH1 2.71Å; D675-R678 PolarHBondContact OD1-NH1 3.32Å; D675-R678 IonicContact OD1-NH2 3.53Å; D675-R678 PolarHBondContact OD1-NH2 3.13Å; Q676-R678 PolarHBondContact O-N 3.36Å; R678-T681 WeakPolarHBondContact O-CB 3.39Å; R678-T681 PolarHBondContact O-N 3.46Å; R678-S682 PolarHBondContact O-N 2.89Å; R678-S682 PolarHBondContact O-OG 3.42Å; R678-S682 VanDerWaalsContact O-OG 3.12Å
679N97.5Very high96.4Very high33 Ų3352.6 Ų52.618%0.17627%0.27CS..Hα-helixtrans-70.3-37.8-175.9-69.2-10.6000111.9L669 D675 Q676 S682 M683 M749L669-N679 VanDerWaalsContact O-CB 3.27Å; L669-N679 WeakPolarHBondContact O-CB 3.48Å; L669-N679 PolarHBondContact O-ND2 3.3Å; D675-N679 VanDerWaalsContact O-CB 3.28Å; D675-N679 WeakPolarHBondContact O-CB 3.27Å; D675-N679 PolarHBondContact O-N 3.24Å; D675-N679 PolarHBondContact O-ND2 2.84Å; Q676-N679 PolarHBondContact O-N 2.92Å; N679-S682 PolarHBondContact O-N 2.92Å; N679-M683 WeakPolarHBondContact O-CB 3.27Å; N679-M683 PolarHBondContact O-N 3.21Å; N679-M749 HydrophobicContact CB-SD 4.33Å
680L97.6Very high96.5Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-63.8-41.4172.3-179.557.4000111.6A384 I388 L669 Q676 M683 L684 I697A384-L680 HydrophobicContact CB-CB 4.18Å; A384-L680 HydrophobicContact CB-CD2 3.96Å; A384-L680 HydrophobicContact CB-CG 4.14Å; I388-L680 HydrophobicContact CD1-CD2 4.13Å; I388-L680 HydrophobicContact CG1-CD2 3.9Å; L669-L680 HydrophobicContact CD1-CB 4.48Å; L669-L680 HydrophobicContact CD2-CB 4.06Å; L669-L680 HydrophobicContact CD2-CD1 4.47Å; Q676-L680 WeakPolarHBondContact O-CB 3.38Å; Q676-L680 PolarHBondContact O-N 2.79Å; L680-M683 HydrophobicContact CD1-CE 4.28Å; L680-M683 WeakPolarHBondContact O-CB 3.43Å; L680-M683 PolarHBondContact O-N 2.9Å; L680-L684 HydrophobicContact CD1-CD1 4.44Å; L680-L684 HydrophobicContact CD1-CG 4.44Å; L680-L684 HydrophobicContact CG-CD1 4.26Å; L680-L684 WeakPolarHBondContact O-CG 3.28Å; L680-L684 PolarHBondContact O-N 3.44Å; L680-I697 HydrophobicContact CD1-CD1 4.03Å; L680-I697 HydrophobicContact CD1-CG1 4.4Å; L680-I697 HydrophobicContact CD1-CG2 4.17Å; L680-I697 HydrophobicContact CD2-CG2 4.18Å
681T98Very high96.7Very high13 Ų1360 Ų608%0.0831%0.308CS..Hα-helixtrans-59.9-48.5174.9-60.20000111.5W371 K380 N677 R678 M683 L684 D685W371-T681 HydrophobicContact CH2-CG2 4.16Å; W371-T681 HydrophobicContact CZ2-CG2 4.15Å; K380-T681 HydrophobicContact CB-CG2 3.79Å; K380-T681 HydrophobicContact CD-CG2 3.94Å; K380-T681 HydrophobicContact CG-CG2 4.49Å; N677-T681 WeakPolarHBondContact O-CB 3.32Å; N677-T681 PolarHBondContact O-N 3.31Å; N677-T681 PolarHBondContact O-OG1 3.27Å; R678-T681 WeakPolarHBondContact O-CB 3.39Å; R678-T681 PolarHBondContact O-N 3.46Å; T681-M683 VanDerWaalsContact C-N 3.27Å; T681-M683 PolarHBondContact O-N 3.41Å; T681-L684 PolarHBondContact O-N 2.8Å; T681-D685 PolarHBondContact O-N 3.02Å
682S97.4Very high97Very high71 Ų7151 Ų5150%0.49727%0.269SS..Hα-helixtrans-61.7-35.1177.2-62.80000112.8R678 N679 G686R678-S682 PolarHBondContact O-N 2.89Å; R678-S682 PolarHBondContact O-OG 3.42Å; R678-S682 VanDerWaalsContact O-OG 3.12Å; N679-S682 PolarHBondContact O-N 2.92Å; S682-G686 PolarHBondContact O-N 2.97Å
683M97.2Very high97.2Very high7 Ų745.8 Ų45.83%0.03425%0.245CC..Hα-helixtrans-67.1-44176.6-168.8-169.3-37.600111.6L640 L643 F662 I664 L669 N679 L680 T681 G686 Y687L640-M683 HydrophobicContact CD2-CG 4.22Å; L643-M683 HydrophobicContact CD1-CG 3.45Å; L643-M683 VanDerWaalsContact CD1-CG 3.45Å; L643-M683 HydrophobicContact CD1-SD 3.6Å; F662-M683 HydrophobicContact CE1-CE 4.27Å; F662-M683 HydrophobicContact CE1-SD 3.64Å; F662-M683 HydrophobicContact CE2-SD 4.37Å; F662-M683 HydrophobicContact CZ-CE 4.23Å; F662-M683 HydrophobicContact CZ-SD 3.54Å; F662-M683 VanDerWaalsContact CZ-SD 3.54Å; I664-M683 HydrophobicContact CD1-CE 4.12Å; L669-M683 HydrophobicContact CD2-CE 3.43Å; L669-M683 VanDerWaalsContact CD2-CE 3.43Å; N679-M683 WeakPolarHBondContact O-CB 3.27Å; N679-M683 PolarHBondContact O-N 3.21Å; L680-M683 HydrophobicContact CD1-CE 4.28Å; L680-M683 WeakPolarHBondContact O-CB 3.43Å; L680-M683 PolarHBondContact O-N 2.9Å; T681-M683 VanDerWaalsContact C-N 3.27Å; T681-M683 PolarHBondContact O-N 3.41Å; M683-G686 PolarHBondContact O-N 2.59Å; M683-Y687 WeakPolarHBondContact O-CB 3.48Å; M683-Y687 PolarHBondContact O-N 2.84Å
684L98Very high97.4Very high3 Ų342.4 Ų42.42%0.01622%0.223CC..Hα-helixtrans-63.2-45.3175.5-71.9165.7000111.5W371 Y395 L680 T681 Y687 A688 L695 I697W371-L684 HydrophobicContact CD2-CB 4.13Å; W371-L684 HydrophobicContact CE3-CD1 4.23Å; W371-L684 HydrophobicContact CH2-CB 4.03Å; W371-L684 HydrophobicContact CH2-CD1 3.67Å; W371-L684 HydrophobicContact CZ2-CB 3.51Å; W371-L684 HydrophobicContact CZ2-CD1 4.07Å; W371-L684 HydrophobicContact CZ2-CG 4.44Å; W371-L684 HydrophobicContact CZ3-CD1 3.79Å; Y395-L684 HydrophobicContact CD1-CD1 4.09Å; Y395-L684 HydrophobicContact CD1-CD2 4.16Å; Y395-L684 HydrophobicContact CD2-CD1 4.33Å; Y395-L684 HydrophobicContact CD2-CD2 3.74Å; Y395-L684 HydrophobicContact CE1-CD1 3.79Å; Y395-L684 HydrophobicContact CE2-CD1 4.07Å; Y395-L684 HydrophobicContact CE2-CD2 4.25Å; Y395-L684 HydrophobicContact CG-CD1 4.33Å; Y395-L684 HydrophobicContact CG-CD2 3.69Å; L680-L684 HydrophobicContact CD1-CD1 4.44Å; L680-L684 HydrophobicContact CD1-CG 4.44Å; L680-L684 HydrophobicContact CG-CD1 4.26Å; L680-L684 WeakPolarHBondContact O-CG 3.28Å; L680-L684 PolarHBondContact O-N 3.44Å; T681-L684 PolarHBondContact O-N 2.8Å; L684-Y687 PolarHBondContact O-N 3.01Å; L684-A688 WeakPolarHBondContact O-CB 3.24Å; L684-A688 PolarHBondContact O-N 2.93Å; L684-L695 HydrophobicContact CD2-CD2 3.92Å; L684-I697 HydrophobicContact CD2-CG1 4.45Å
685D98.4Very high97.6Very high32 Ų3236 Ų3617%0.17119%0.193CC..Hα-helixtrans-60.1-47.5174.3-82.7-11.6000111.3W371 V373 K380 T681 Y687 A688 M689W371-D685 WeakPolarHBondContact CZ2-OD1 3.35Å; W371-D685 PolarHBondContact NE1-OD1 3.12Å; V373-D685 HydrophobicContact CG1-CB 4.26Å; K380-D685 VanDerWaalsContact NZ-CG 3.27Å; K380-D685 IonicContact NZ-OD1 2.72Å; K380-D685 PolarHBondContact NZ-OD1 3.41Å; K380-D685 IonicContact NZ-OD2 2.92Å; K380-D685 PolarHBondContact NZ-OD2 2.93Å; T681-D685 PolarHBondContact O-N 3.02Å; D685-Y687 PolarHBondContact O-N 3.31Å; D685-A688 PolarHBondContact O-N 3.14Å; D685-M689 WeakPolarHBondContact O-CB 3.27Å; D685-M689 WeakPolarHBondContact O-CG 3.48Å; D685-M689 PolarHBondContact O-N 3.3Å
686G97.9Very high97.7Very high27 Ų2733.5 Ų33.528%0.27818%0.18SC..Hα-helixtrans-60.4-43.2178.100000113.1S682 M683 M689 Q690S682-G686 PolarHBondContact O-N 2.97Å; M683-G686 PolarHBondContact O-N 2.59Å; G686-M689 PolarHBondContact O-N 3.33Å; G686-Q690 WeakPolarHBondContact O-CG 3.46Å; G686-Q690 PolarHBondContact O-N 3.35Å; G686-Q690 VanDerWaalsContact O-N 3.15Å
687Y98.2Very high97.7Very high11 Ų1132.1 Ų32.14%0.04317%0.173CC..Hα-helixtrans-65-43.8176.7-175.3-118.6000111.7L643 A647 M683 L684 D685 Q690 G692 L695L643-Y687 HydrophobicContact CB-CD2 3.84Å; L643-Y687 HydrophobicContact CB-CE2 4.29Å; L643-Y687 HydrophobicContact CD2-CD2 4.15Å; L643-Y687 HydrophobicContact CD2-CE2 4.27Å; L643-Y687 HydrophobicContact CG-CD2 4.48Å; L643-Y687 VanDerWaalsContact O-CE2 3.3Å; L643-Y687 WeakPolarHBondContact O-CE2 3.49Å; A647-Y687 HydrophobicContact CB-CD2 4.03Å; A647-Y687 HydrophobicContact CB-CE2 3.76Å; M683-Y687 WeakPolarHBondContact O-CB 3.48Å; M683-Y687 PolarHBondContact O-N 2.84Å; L684-Y687 PolarHBondContact O-N 3.01Å; D685-Y687 PolarHBondContact O-N 3.31Å; Y687-Q690 PolarHBondContact O-N 3.02Å; Y687-G692 VanDerWaalsContact CZ-CA 3.42Å; Y687-G692 WeakPolarHBondContact O-CA 3.49Å; Y687-G692 PolarHBondContact O-N 3.44Å; Y687-L695 HydrophobicContact CD1-CB 4.13Å; Y687-L695 HydrophobicContact CD1-CD2 4.08Å; Y687-L695 HydrophobicContact CE1-CB 3.97Å; Y687-L695 HydrophobicContact CE1-CD1 4.39Å
688A97.8Very high97.6Very high7 Ų731.2 Ų31.26%0.05817%0.168CC..Hα-helixtrans-64.7-41177.400000112.4N397 L684 D685 Q690 C691N397-A688 WeakPolarHBondContact ND2-CA 3.45Å; N397-A688 PolarHBondContact ND2-O 3.27Å; L684-A688 WeakPolarHBondContact O-CB 3.24Å; L684-A688 PolarHBondContact O-N 2.93Å; D685-A688 PolarHBondContact O-N 3.14Å; A688-Q690 PolarHBondContact O-N 3.16Å; A688-C691 WeakPolarHBondContact O-CA 3.49Å; A688-C691 PolarHBondContact O-N 3.03Å
689M97.8Very high97.6Very high140 Ų14025.2 Ų25.269%0.6915%0.147SC*.Hα-helixtrans-63.5-27.3175.2-72.6175.268.300113.1V373 D685 G686 C691V373-M689 HydrophobicContact CG1-CG 3.66Å; V373-M689 HydrophobicContact CG1-SD 4.31Å; D685-M689 WeakPolarHBondContact O-CB 3.27Å; D685-M689 WeakPolarHBondContact O-CG 3.48Å; D685-M689 PolarHBondContact O-N 3.3Å; G686-M689 PolarHBondContact O-N 3.33Å; M689-C691 PolarHBondContact O-N 3.4Å
690Q97.4Very high97.3Very high95 Ų9524.4 Ų24.444%0.44414%0.142SC..THydrogen-bonded Turntrans-85.312.7173.5-68.1179.124.800112.8S644 A647 G686 Y687 A688 G692S644-Q690 PolarHBondContact OG-NE2 3.29Å; S644-Q690 PolarHBondContact OG-OE1 3.5Å; A647-Q690 HydrophobicContact CB-CB 3.85Å; G686-Q690 WeakPolarHBondContact O-CG 3.46Å; G686-Q690 PolarHBondContact O-N 3.35Å; G686-Q690 VanDerWaalsContact O-N 3.15Å; Y687-Q690 PolarHBondContact O-N 3.02Å; A688-Q690 PolarHBondContact O-N 3.16Å; Q690-G692 PolarHBondContact O-N 3.41Å
691C96.9Very high97Very high72 Ų7227.4 Ų27.449%0.48616%0.158SC..THydrogen-bonded Turntrans63.920.6-176.8-54.60000114.3I400 A688 M689 H693I400-C691 HydrophobicContact CG2-CB 4.2Å; A688-C691 WeakPolarHBondContact O-CA 3.49Å; A688-C691 PolarHBondContact O-N 3.03Å; M689-C691 PolarHBondContact O-N 3.4Å; C691-H693 PolarHBondContact O-N 2.98Å
692G98Very high96.8Very high1 Ų130.5 Ų30.51%0.0117%0.168CC..  trans-59.3130.9168.900000110.7N397 Y687 Q690N397-G692 WeakPolarHBondContact CB-O 3.18Å; N397-G692 PolarHBondContact ND2-O 3.42Å; Y687-G692 VanDerWaalsContact CZ-CA 3.42Å; Y687-G692 WeakPolarHBondContact O-CA 3.49Å; Y687-G692 PolarHBondContact O-N 3.44Å; Q690-G692 PolarHBondContact O-N 3.41Å
693H98.4Very high96.7Very high3 Ų333 Ų331%0.01417%0.172CC..  trans-82.9-65.5-170.7175.9-96000113.3E396 N397 I400 V415 Y651 I658 C691E396-H693 CarbonylContact C-O 3.53Å; E396-H693 WeakPolarHBondContact CA-O 3.48Å; E396-H693 IonicContact OE2-CE1 2.88Å; E396-H693 PolarHBondContact OE2-CE1 3.44Å; E396-H693 IonicContact OE2-ND1 2.82Å; E396-H693 IonicContact OE2-NE2 2.71Å; N397-H693 WeakPolarHBondContact CB-O 3.33Å; N397-H693 PolarHBondContact N-O 2.95Å; I400-H693 HydrophobicContact CD1-CB 4.23Å; V415-H693 PolarHBondContact O-CE1 2.72Å; V415-H693 VanDerWaalsContact O-CE1 3.26Å; Y651-H693 HydrophobicContact CD2-CB 4.32Å; Y651-H693 AromaticContact CD2-CD2 3.21Å; Y651-H693 WeakPolarHBondContact CD2-CD2 3.27Å; Y651-H693 AromaticContact CD2-CG 3.83Å; Y651-H693 AromaticContact CD2-NE2 3.77Å; Y651-H693 AromaticContact CE2-CD2 3.04Å; Y651-H693 WeakPolarHBondContact CE2-CD2 3.49Å; Y651-H693 AromaticContact CE2-CG 3.95Å; Y651-H693 AromaticContact CE2-NE2 3.08Å; Y651-H693 WeakPolarHBondContact CE2-NE2 3.4Å; Y651-H693 AromaticContact CG-CD2 3.94Å; Y651-H693 AromaticContact CZ-CD2 3.62Å; Y651-H693 AromaticContact CZ-NE2 3.55Å; I658-H693 HydrophobicContact CB-CB 4.05Å; I658-H693 HydrophobicContact CD1-CB 4.3Å; I658-H693 PolarHBondContact N-ND1 3.08Å; C691-H693 PolarHBondContact O-N 2.98Å
694H98.6Very high96.5Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-127.6143.2-175.8151.1-70.2000110.4Q394 Y395 E396 V415 I658 N660 N696Q394-H694 PolarHBondContact OE1-NE2 3.42Å; Q394-H694 VanDerWaalsContact OE1-NE2 3.12Å; Y395-H694 CarbonylContact O-C 3.46Å; Y395-H694 VanDerWaalsContact O-CA 3.28Å; Y395-H694 WeakPolarHBondContact O-CA 3.47Å; E396-H694 HydrophobicContact CG-CB 3.89Å; V415-H694 HydrophobicContact CB-CB 4.45Å; V415-H694 HydrophobicContact CG1-CB 3.52Å; V415-H694 WeakPolarHBondContact CG1-CD2 3.08Å; I658-H694 WeakPolarHBondContact O-CB 3.5Å; N660-H694 WeakPolarHBondContact CB-O 3.32Å; N660-H694 PolarHBondContact N-ND1 2.87Å; N660-H694 VanDerWaalsContact N-ND1 3.2Å; N660-H694 PolarHBondContact O-CE1 2.87Å; N660-H694 VanDerWaalsContact O-CE1 3.27Å; N660-H694 PolarHBondContact O-ND1 3.5Å; H694-N696 PolarHBondContact CE1-N 3.36Å
695L98.4Very high96.4Very high2 Ų234.8 Ų34.81%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-136.5117.5173.9-162.259.3000112.2Y395 L643 N660 F662 L684 Y687 I697Y395-L695 PolarHBondContact N-O 3.28Å; Y395-L695 PolarHBondContact O-N 3.17Å; L643-L695 HydrophobicContact CD2-CD1 3.56Å; L643-L695 HydrophobicContact CD2-CD2 3.93Å; L643-L695 HydrophobicContact CD2-CG 4.44Å; N660-L695 HydrophobicContact CB-CD1 4.05Å; N660-L695 WeakPolarHBondContact ND2-CD1 3.5Å; F662-L695 HydrophobicContact CB-CD1 3.58Å; F662-L695 HydrophobicContact CB-CG 4.28Å; F662-L695 HydrophobicContact CG-CD1 4.38Å; L684-L695 HydrophobicContact CD2-CD2 3.92Å; Y687-L695 HydrophobicContact CD1-CB 4.13Å; Y687-L695 HydrophobicContact CD1-CD2 4.08Å; Y687-L695 HydrophobicContact CE1-CB 3.97Å; Y687-L695 HydrophobicContact CE1-CD1 4.39Å; L695-I697 HydrophobicContact CD2-CD1 3.51Å; L695-I697 HydrophobicContact CD2-CG1 4.41Å; L695-I697 HydrophobicContact CG-CD1 3.64Å; L695-I697 HydrophobicContact CG-CG1 4.27Å
696N97.4Very high96.3Very high0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-81.9132162.4-94.5-24.3000108.6Q394 N660 T661 F662 H694 R721 G724Q394-N696 WeakPolarHBondContact CB-OD1 3.2Å; Q394-N696 PolarHBondContact OE1-OD1 2.94Å; N660-N696 WeakPolarHBondContact O-CB 3.43Å; N660-N696 PolarHBondContact O-N 3.02Å; T661-N696 HydrophobicContact CG2-CB 4.16Å; T661-N696 PolarHBondContact OG1-ND2 2.89Å; F662-N696 WeakPolarHBondContact CB-O 3.34Å; F662-N696 PolarHBondContact N-O 3.07Å; H694-N696 PolarHBondContact CE1-N 3.36Å; N696-R721 HydrophobicContact CB-CB 3.66Å; N696-R721 HydrophobicContact CB-CG 4.13Å; N696-R721 VanDerWaalsContact OD1-CZ 3.31Å; N696-R721 PolarHBondContact OD1-NE 3.35Å; N696-R721 PolarHBondContact OD1-NH2 3.39Å; N696-G724 WeakPolarHBondContact ND2-CA 3.39Å; N696-G724 PolarHBondContact ND2-N 2.82Å
697I95.9Very high96.3Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-116120.4179.8-62.8-65.5000110.7Y395 F662 L680 L684 L695 V699Y395-I697 HydrophobicContact CD2-CG1 3.83Å; Y395-I697 HydrophobicContact CE2-CB 4.3Å; Y395-I697 HydrophobicContact CE2-CG1 3.79Å; F662-I697 HydrophobicContact CB-CD1 4.43Å; F662-I697 HydrophobicContact CD1-CD1 3.57Å; F662-I697 HydrophobicContact CE1-CD1 4.26Å; F662-I697 HydrophobicContact CG-CD1 4.37Å; L680-I697 HydrophobicContact CD1-CD1 4.03Å; L680-I697 HydrophobicContact CD1-CG1 4.4Å; L680-I697 HydrophobicContact CD1-CG2 4.17Å; L680-I697 HydrophobicContact CD2-CG2 4.18Å; L684-I697 HydrophobicContact CD2-CG1 4.45Å; L695-I697 HydrophobicContact CD2-CD1 3.51Å; L695-I697 HydrophobicContact CD2-CG1 4.41Å; L695-I697 HydrophobicContact CG-CD1 3.64Å; L695-I697 HydrophobicContact CG-CG1 4.27Å; I697-V699 HydrophobicContact CG2-CG2 3.7Å
698N96.6Very high96.2Very high4 Ų437.9 Ų37.92%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-112.1129.1168.4-74.9-39.9000109.7F662 S663 I664 F700 R721F662-N698 PolarHBondContact O-N 3.36Å; S663-N698 WeakPolarHBondContact CA-O 3.49Å; S663-N698 WeakPolarHBondContact OG-CB 3.49Å; S663-N698 PolarHBondContact OG-ND2 2.66Å; I664-N698 PolarHBondContact N-O 3.24Å; N698-F700 HydrophobicContact CB-CD1 4.18Å; N698-F700 HydrophobicContact CB-CE1 3.37Å; N698-F700 HydrophobicContact CB-CE2 4.42Å; N698-F700 HydrophobicContact CB-CZ 3.51Å; N698-F700 VanDerWaalsContact CG-CE1 3.48Å; N698-F700 WeakPolarHBondContact OD1-CE1 3.27Å; N698-R721 PolarHBondContact ND2-O 3Å; N698-R721 WeakPolarHBondContact OD1-CB 3.47Å; N698-R721 PolarHBondContact OD1-N 3.31Å
699V95.8Very high96Very high9 Ų938.4 Ų38.46%0.05520%0.195CC..EExtended strand (participates in β ladder)trans-128.188.7177.6-171.70000109.3I388 S391 I664 P666 L669 I697I388-V699 HydrophobicContact CB-CG1 4.43Å; I388-V699 HydrophobicContact CG1-CG1 4.24Å; I388-V699 HydrophobicContact CG1-CG2 4.12Å; I388-V699 HydrophobicContact CG2-CG1 4.22Å; S391-V699 PolarHBondContact OG-N 3.05Å; I664-V699 HydrophobicContact CG2-CG2 4.1Å; I664-V699 WeakPolarHBondContact O-CA 3.37Å; P666-V699 HydrophobicContact CB-CG1 4.3Å; P666-V699 HydrophobicContact CG-CG1 4.01Å; L669-V699 HydrophobicContact CD1-CG1 3.83Å; L669-V699 HydrophobicContact CD1-CG2 3.97Å; I697-V699 HydrophobicContact CG2-CG2 3.7Å
700F91.4Very high95.9Very high16 Ų1636.9 Ų36.97%0.0719%0.186CC..  trans-157.7163177.344.1-104000111.2S391 I664 N698 L705 I720 F745S391-F700 WeakPolarHBondContact OG-CD1 3.35Å; I664-F700 PolarHBondContact O-N 3.22Å; N698-F700 HydrophobicContact CB-CD1 4.18Å; N698-F700 HydrophobicContact CB-CE1 3.37Å; N698-F700 HydrophobicContact CB-CE2 4.42Å; N698-F700 HydrophobicContact CB-CZ 3.51Å; N698-F700 VanDerWaalsContact CG-CE1 3.48Å; N698-F700 WeakPolarHBondContact OD1-CE1 3.27Å; F700-L705 HydrophobicContact CD2-CD1 4.18Å; F700-L705 HydrophobicContact CD2-CD2 4.18Å; F700-L705 HydrophobicContact CD2-CG 3.98Å; F700-L705 HydrophobicContact CE2-CD1 3.55Å; F700-L705 HydrophobicContact CE2-CD2 4.08Å; F700-L705 HydrophobicContact CE2-CG 3.85Å; F700-L705 HydrophobicContact CZ-CD1 4.18Å; F700-L705 HydrophobicContact CZ-CD2 4.43Å; F700-I720 HydrophobicContact CD1-CG2 4.44Å; F700-I720 HydrophobicContact CE1-CB 4.22Å; F700-I720 HydrophobicContact CE1-CG2 3.57Å; F700-I720 HydrophobicContact CZ-CB 4.27Å; F700-I720 HydrophobicContact CZ-CG2 3.7Å; F700-F745 AromaticContact CD2-CE1 3.6Å; F700-F745 HydrophobicContact CD2-CE1 3.6Å; F700-F745 HydrophobicContact CD2-CZ 4.27Å; F700-F745 AromaticContact CE2-CE1 3.43Å; F700-F745 HydrophobicContact CE2-CE1 3.43Å; F700-F745 VanDerWaalsContact CE2-CE1 3.43Å; F700-F745 AromaticContact CE2-CZ 3.7Å; F700-F745 HydrophobicContact CE2-CZ 3.7Å
701N91.5Very high95.8Very high63 Ų6336 Ų3634%0.33718%0.182SC..  trans-83.6148.3171.2-64.4-56.6000109.7E703 T704N701-E703 WeakPolarHBondContact CB-OE2 3.22Å; N701-E703 PolarHBondContact O-N 2.77Å; N701-T704 WeakPolarHBondContact O-CB 3.5Å; N701-T704 PolarHBondContact O-N 2.89Å; N701-T704 VanDerWaalsContact O-N 3.17Å
702R93.1Very high95.7Very high77 Ų7734.8 Ų34.829%0.29117%0.173SC..Hα-helixtrans-58.2-36.4177.2-179-175.2-68-90.3-14.2111.4T704 L705 I706 I741 R743 F745R702-T704 VanDerWaalsContact C-N 3.27Å; R702-T704 PolarHBondContact O-N 3.29Å; R702-L705 PolarHBondContact O-N 3.46Å; R702-L705 VanDerWaalsContact O-N 3.09Å; R702-I706 HydrophobicContact CG-CD1 4.06Å; R702-I706 PolarHBondContact O-N 3.26Å; R702-I706 VanDerWaalsContact O-N 3.08Å; R702-I741 HydrophobicContact CG-CG2 4.1Å; R702-I741 PolarHBondContact NH1-O 3.46Å; R702-I741 PolarHBondContact NH2-O 3.04Å; R702-R743 PolarHBondContact NH2-O 3.27Å; R702-F745 HydrophobicContact CB-CD1 4.42Å; R702-F745 HydrophobicContact CB-CE1 4.23Å; R702-F745 HydrophobicContact CB-CZ 4.48Å
703E94.8Very high95.4Very high124 Ų12440.6 Ų40.658%0.57920%0.2SC*.Hα-helixtrans-59.8-36.4179.6-65.569.5-153.600112N701 L705 I706 D707N701-E703 WeakPolarHBondContact CB-OE2 3.22Å; N701-E703 PolarHBondContact O-N 2.77Å; E703-L705 VanDerWaalsContact C-N 3.3Å; E703-L705 PolarHBondContact O-N 3.26Å; E703-I706 PolarHBondContact O-N 3.35Å; E703-D707 WeakPolarHBondContact O-CB 3.37Å; E703-D707 PolarHBondContact O-N 3.49Å
704T94.8Very high95.2Very high48 Ų4846.5 Ų46.529%0.29423%0.228SC..Hα-helixtrans-62.4-38.9175.9-55.60000111.5N701 R702 A708 Y715N701-T704 WeakPolarHBondContact O-CB 3.5Å; N701-T704 PolarHBondContact O-N 2.89Å; N701-T704 VanDerWaalsContact O-N 3.17Å; R702-T704 VanDerWaalsContact C-N 3.27Å; R702-T704 PolarHBondContact O-N 3.29Å; T704-A708 WeakPolarHBondContact O-CB 3.19Å; T704-A708 PolarHBondContact O-N 3.31Å; T704-Y715 HydrophobicContact CG2-CE1 4.2Å
705L95.7Very high95Very high0 Ų049.2 Ų49.20%024%0.238CC..Hα-helixtrans-70.7-40.2175.8-61.5-167000111.6F700 R702 E703 D707 A708 M709 L718 I720 F729 V740 I741 F745F700-L705 HydrophobicContact CD2-CD1 4.18Å; F700-L705 HydrophobicContact CD2-CD2 4.18Å; F700-L705 HydrophobicContact CD2-CG 3.98Å; F700-L705 HydrophobicContact CE2-CD1 3.55Å; F700-L705 HydrophobicContact CE2-CD2 4.08Å; F700-L705 HydrophobicContact CE2-CG 3.85Å; F700-L705 HydrophobicContact CZ-CD1 4.18Å; F700-L705 HydrophobicContact CZ-CD2 4.43Å; R702-L705 PolarHBondContact O-N 3.46Å; R702-L705 VanDerWaalsContact O-N 3.09Å; E703-L705 VanDerWaalsContact C-N 3.3Å; E703-L705 PolarHBondContact O-N 3.26Å; L705-D707 VanDerWaalsContact C-N 3.31Å; L705-D707 PolarHBondContact O-N 2.99Å; L705-A708 PolarHBondContact O-N 2.88Å; L705-M709 VanDerWaalsContact O-CG 3.31Å; L705-M709 WeakPolarHBondContact O-CG 3.36Å; L705-M709 PolarHBondContact O-N 3.04Å; L705-L718 HydrophobicContact CD2-CD2 4.01Å; L705-I720 HydrophobicContact CD2-CG2 3.98Å; L705-F729 HydrophobicContact CB-CE1 4.28Å; L705-F729 HydrophobicContact CB-CE2 4.41Å; L705-F729 HydrophobicContact CB-CZ 3.98Å; L705-F729 HydrophobicContact CD1-CE2 4.27Å; L705-F729 HydrophobicContact CD2-CD1 4.5Å; L705-F729 HydrophobicContact CD2-CD2 4.32Å; L705-F729 HydrophobicContact CD2-CE2 4.43Å; L705-F729 HydrophobicContact CD2-CG 4.33Å; L705-F729 WeakPolarHBondContact O-CE1 3.4Å; L705-V740 HydrophobicContact CD1-CG1 3.8Å; L705-I741 HydrophobicContact CB-CD1 4.13Å; L705-I741 HydrophobicContact CB-CG1 3.91Å; L705-I741 HydrophobicContact CD1-CG1 4.06Å; L705-F745 HydrophobicContact CD1-CZ 4.01Å
706I95.9Very high94.8Very high75 Ų7551.5 Ų51.539%0.38525%0.253SS..Hα-helixtrans-60.4-45.1176.8-66.4168.7000110.1R702 E703 M709 E710 I741R702-I706 HydrophobicContact CG-CD1 4.06Å; R702-I706 PolarHBondContact O-N 3.26Å; R702-I706 VanDerWaalsContact O-N 3.08Å; E703-I706 PolarHBondContact O-N 3.35Å; I706-M709 WeakPolarHBondContact O-CB 3.33Å; I706-M709 PolarHBondContact O-N 3.17Å; I706-E710 PolarHBondContact O-N 3.31Å; I706-I741 HydrophobicContact CG1-CD1 4.25Å
707D97.2Very high94.7Very high60 Ų6053.4 Ų53.432%0.32126%0.262SS..Hα-helixtrans-62.2-45.2177-165.358.2000111.4E703 L705 M709 E710 H711 Y715E703-D707 WeakPolarHBondContact O-CB 3.37Å; E703-D707 PolarHBondContact O-N 3.49Å; L705-D707 VanDerWaalsContact C-N 3.31Å; L705-D707 PolarHBondContact O-N 2.99Å; D707-M709 PolarHBondContact O-N 3.16Å; D707-E710 PolarHBondContact O-N 2.9Å; D707-H711 PolarHBondContact O-N 3.4Å; D707-H711 IonicContact OD1-CD2 2.81Å; D707-H711 PolarHBondContact OD1-CD2 3.45Å; D707-Y715 HydrophobicContact CB-CE2 4.4Å; D707-Y715 VanDerWaalsContact OD2-CE2 3.22Å; D707-Y715 WeakPolarHBondContact OD2-CE2 3.33Å; D707-Y715 VanDerWaalsContact OD2-CZ 3.29Å; D707-Y715 PolarHBondContact OD2-OH 3.44Å
708A95.8Very high94.7Very high0 Ų055 Ų550%027%0.27CS..Hα-helixtrans-65.6-21.3176.600000114.5T704 L705 P712 Y715 L718 F729T704-A708 WeakPolarHBondContact O-CB 3.19Å; T704-A708 PolarHBondContact O-N 3.31Å; L705-A708 PolarHBondContact O-N 2.88Å; A708-P712 WeakPolarHBondContact O-CA 3.2Å; A708-Y715 VanDerWaalsContact CA-CD2 3.49Å; A708-Y715 HydrophobicContact CB-CD1 4.24Å; A708-Y715 HydrophobicContact CB-CD2 3.57Å; A708-Y715 HydrophobicContact CB-CE2 4.12Å; A708-Y715 HydrophobicContact CB-CG 3.63Å; A708-L718 HydrophobicContact CB-CD2 3.43Å; A708-L718 VanDerWaalsContact CB-CD2 3.43Å; A708-F729 HydrophobicContact CB-CD1 3.78Å; A708-F729 HydrophobicContact CB-CE1 4.03Å
709M95.1Very high94.8Very high18 Ų1854.9 Ų54.99%0.08927%0.27CS..Hα-helixtrans-72.4-32.5171.8-71.6-179.394.400112.2L705 I706 D707 F729 R734 Q737 L738 I741L705-M709 VanDerWaalsContact O-CG 3.31Å; L705-M709 WeakPolarHBondContact O-CG 3.36Å; L705-M709 PolarHBondContact O-N 3.04Å; I706-M709 WeakPolarHBondContact O-CB 3.33Å; I706-M709 PolarHBondContact O-N 3.17Å; D707-M709 PolarHBondContact O-N 3.16Å; M709-F729 HydrophobicContact CB-CE1 4.37Å; M709-F729 HydrophobicContact CG-CE1 3.51Å; M709-F729 HydrophobicContact CG-CZ 3.51Å; M709-R734 VanDerWaalsContact CE-CD 3.48Å; M709-R734 HydrophobicContact CE-CG 4.42Å; M709-R734 PolarHBondContact O-NH1 3.03Å; M709-Q737 HydrophobicContact CE-CB 3.63Å; M709-Q737 HydrophobicContact CG-CB 4.27Å; M709-Q737 HydrophobicContact SD-CB 4.46Å; M709-L738 HydrophobicContact CE-CD2 3.86Å; M709-L738 HydrophobicContact CE-CG 3.96Å; M709-I741 HydrophobicContact CE-CD1 4.2Å; M709-I741 HydrophobicContact CG-CD1 3.91Å; M709-I741 HydrophobicContact SD-CD1 3.07Å; M709-I741 WeakPolarHBondContact SD-CD1 3.49Å
710E96Very high94.8Very high107 Ų10754.5 Ų54.550%0.527%0.267SS..Hα-helixtrans-93.2-31.2-177.2-57-52.9133.600112.1I706 D707 P712 R734I706-E710 PolarHBondContact O-N 3.31Å; D707-E710 PolarHBondContact O-N 2.9Å; E710-P712 WeakPolarHBondContact O-CD 3.35Å; E710-R734 IonicContact OE1-CZ 2.68Å; E710-R734 VanDerWaalsContact OE1-CZ 3.26Å; E710-R734 IonicContact OE1-NH1 2.78Å; E710-R734 PolarHBondContact OE1-NH1 3.19Å; E710-R734 IonicContact OE1-NH2 2.77Å; E710-R734 PolarHBondContact OE1-NH2 2.72Å
711H95.4Very high95Very high76 Ų7653.8 Ų53.835%0.35226%0.264SS..  trans-122.457.4-177.5-59.6-62.8000112.4D707 E713 E714 Y715D707-H711 PolarHBondContact O-N 3.4Å; D707-H711 IonicContact OD1-CD2 2.81Å; D707-H711 PolarHBondContact OD1-CD2 3.45Å; H711-E713 IonicContact ND1-OE1 2.92Å; H711-E713 PolarHBondContact O-N 2.72Å; H711-E713 VanDerWaalsContact O-N 3.08Å; H711-E714 HydrophobicContact CB-CG 4.2Å; H711-E714 PolarHBondContact O-N 2.88Å; H711-Y715 WeakPolarHBondContact O-CD2 3.43Å
712P92.9Very high95Very high47 Ų4751 Ų5131%0.30525%0.25SC..G310 helixtrans-59.7-24.8-173.625.9-36000114.4A708 E710 E714 Y715 I730A708-P712 WeakPolarHBondContact O-CA 3.2Å; E710-P712 WeakPolarHBondContact O-CD 3.35Å; P712-E714 VanDerWaalsContact C-N 3.27Å; P712-E714 PolarHBondContact O-N 2.96Å; P712-Y715 CarbonylContact O-C 3.57Å; P712-Y715 PolarHBondContact O-N 2.75Å; P712-I730 HydrophobicContact CB-CB 4.15Å; P712-I730 HydrophobicContact CB-CG2 3.68Å
713E91.8Very high94.8Very high124 Ų12447.4 Ų47.458%0.57924%0.236SC*.G310 helixtrans-64.8-26.5175.967.2-77.2-176.800114H711 Y715H711-E713 IonicContact ND1-OE1 2.92Å; H711-E713 PolarHBondContact O-N 2.72Å; H711-E713 VanDerWaalsContact O-N 3.08Å; E713-Y715 VanDerWaalsContact C-N 3.32Å
714E94.8Very high94.2Very high127 Ų12741.5 Ų41.559%0.59321%0.209SC*.G310 helixtrans-82.2-15.9178.3-59.5-167.4168.200112.1H711 P712 P716H711-E714 HydrophobicContact CB-CG 4.2Å; H711-E714 PolarHBondContact O-N 2.88Å; P712-E714 VanDerWaalsContact C-N 3.27Å; P712-E714 PolarHBondContact O-N 2.96Å; E714-P716 WeakPolarHBondContact O-CD 3.47Å
715Y95.4Very high94Very high57 Ų5739.3 Ų39.322%0.22420%0.195CC..  trans-123.846.7-173-62.7-83.2000113.6T704 D707 A708 H711 P712 E713 Q717 L718T704-Y715 HydrophobicContact CG2-CE1 4.2Å; D707-Y715 HydrophobicContact CB-CE2 4.4Å; D707-Y715 VanDerWaalsContact OD2-CE2 3.22Å; D707-Y715 WeakPolarHBondContact OD2-CE2 3.33Å; D707-Y715 VanDerWaalsContact OD2-CZ 3.29Å; D707-Y715 PolarHBondContact OD2-OH 3.44Å; A708-Y715 VanDerWaalsContact CA-CD2 3.49Å; A708-Y715 HydrophobicContact CB-CD1 4.24Å; A708-Y715 HydrophobicContact CB-CD2 3.57Å; A708-Y715 HydrophobicContact CB-CE2 4.12Å; A708-Y715 HydrophobicContact CB-CG 3.63Å; H711-Y715 WeakPolarHBondContact O-CD2 3.43Å; P712-Y715 CarbonylContact O-C 3.57Å; P712-Y715 PolarHBondContact O-N 2.75Å; E713-Y715 VanDerWaalsContact C-N 3.32Å; Y715-Q717 PolarHBondContact O-N 2.81Å; Y715-Q717 VanDerWaalsContact O-N 3.08Å; Y715-L718 HydrophobicContact CD1-CB 4.29Å; Y715-L718 HydrophobicContact CD1-CD2 4.07Å; Y715-L718 HydrophobicContact CG-CB 4.48Å; Y715-L718 HydrophobicContact CG-CD2 4.3Å; Y715-L718 PolarHBondContact O-N 3.45Å; Y715-L718 VanDerWaalsContact O-N 3.16Å
716P93.3Very high93.9Very high50 Ų5039.4 Ų39.433%0.32520%0.196SC..THydrogen-bonded Turntrans-62.5-26.6-171.627.7-36.3000113.5M59 E714M59-P716 HydrophobicContact CE-CB 3.92Å; M59-P716 HydrophobicContact CE-CG 4.27Å; E714-P716 WeakPolarHBondContact O-CD 3.47Å
717Q95.5Very high93.8Very high40 Ų4035.9 Ų35.919%0.18718%0.178CC..THydrogen-bonded Turntrans-112.85.1-178.7-70.1-167-129.300113.8M59 L359 G360 P361 Y715 T719M59-Q717 HydrophobicContact CE-CG 3.56Å; M59-Q717 HydrophobicContact SD-CG 3.96Å; M59-Q717 PolarHBondContact SD-OE1 3.25Å; M59-Q717 VanDerWaalsContact SD-OE1 3.41Å; L359-Q717 PolarHBondContact O-NE2 3.06Å; G360-Q717 VanDerWaalsContact C-NE2 3.3Å; P361-Q717 PolarHBondContact O-NE2 2.77Å; Y715-Q717 PolarHBondContact O-N 2.81Å; Y715-Q717 VanDerWaalsContact O-N 3.08Å; Q717-T719 PolarHBondContact O-N 2.67Å; Q717-T719 PolarHBondContact O-OG1 3.25Å
718L96.5Very high93.7Very high33 Ų3333.9 Ų33.917%0.17317%0.167CC..  trans-58.2114.5179.3176.264.1000109.6L705 A708 Y715 N728 F729L705-L718 HydrophobicContact CD2-CD2 4.01Å; A708-L718 HydrophobicContact CB-CD2 3.43Å; A708-L718 VanDerWaalsContact CB-CD2 3.43Å; Y715-L718 HydrophobicContact CD1-CB 4.29Å; Y715-L718 HydrophobicContact CD1-CD2 4.07Å; Y715-L718 HydrophobicContact CG-CB 4.48Å; Y715-L718 HydrophobicContact CG-CD2 4.3Å; Y715-L718 PolarHBondContact O-N 3.45Å; Y715-L718 VanDerWaalsContact O-N 3.16Å; L718-N728 CarbonylContact O-C 3.58Å; L718-N728 VanDerWaalsContact O-CA 3.28Å; L718-N728 WeakPolarHBondContact O-CA 3.36Å; L718-F729 HydrophobicContact CD2-CB 4.11Å; L718-F729 HydrophobicContact CD2-CD1 4.21Å; L718-F729 HydrophobicContact CD2-CG 4.42Å; L718-F729 HydrophobicContact CG-CB 4.2Å; L718-F729 PolarHBondContact O-N 2.95Å
719T97.1Very high93.7Very high2 Ų233.9 Ų33.91%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-113.5136.8-172.4-62.50000109.3A362 P363 S392 Q717 A726 V727A362-T719 WeakPolarHBondContact CA-OG1 3.4Å; A362-T719 PolarHBondContact N-OG1 2.79Å; P363-T719 HydrophobicContact CB-CG2 4.37Å; S392-T719 WeakPolarHBondContact OG-CG2 3.39Å; Q717-T719 PolarHBondContact O-N 2.67Å; Q717-T719 PolarHBondContact O-OG1 3.25Å; T719-A726 HydrophobicContact CG2-CB 3.74Å; T719-V727 WeakPolarHBondContact CA-O 3.3Å
720I96.5Very high93.5Very high0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-133.8146.2178.459.9160.9000110.6F700 L705 V722 A726 V727 F729 L732 V740F700-I720 HydrophobicContact CD1-CG2 4.44Å; F700-I720 HydrophobicContact CE1-CB 4.22Å; F700-I720 HydrophobicContact CE1-CG2 3.57Å; F700-I720 HydrophobicContact CZ-CB 4.27Å; F700-I720 HydrophobicContact CZ-CG2 3.7Å; L705-I720 HydrophobicContact CD2-CG2 3.98Å; I720-V722 HydrophobicContact CD1-CG1 3.6Å; I720-V722 HydrophobicContact CG1-CG1 3.92Å; I720-A726 CarbonylContact O-C 3.48Å; I720-A726 WeakPolarHBondContact O-CA 3.34Å; I720-V727 HydrophobicContact CD1-CG2 4.2Å; I720-V727 HydrophobicContact CG1-CG2 3.72Å; I720-V727 PolarHBondContact N-O 3.02Å; I720-V727 PolarHBondContact O-N 3Å; I720-F729 HydrophobicContact CD1-CD2 3.63Å; I720-F729 HydrophobicContact CD1-CE2 4.38Å; I720-F729 HydrophobicContact CG1-CB 4.41Å; I720-F729 HydrophobicContact CG1-CD2 4.4Å; I720-L732 HydrophobicContact CD1-CD1 4.11Å; I720-V740 HydrophobicContact CD1-CB 4.29Å; I720-V740 HydrophobicContact CD1-CG1 3.5Å; I720-V740 HydrophobicContact CD1-CG2 3.94Å
721R95.8Very high93.3Very high1 Ų132.7 Ų32.70%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-82.8131.6169.4-50.8-56.6-63.8176.77.5110N366 S391 S392 T661 N696 N698 Y725 A726N366-R721 VanDerWaalsContact OD1-CZ 3.26Å; N366-R721 PolarHBondContact OD1-NH1 3.11Å; N366-R721 PolarHBondContact OD1-NH2 3.27Å; S391-R721 VanDerWaalsContact O-CD 3.24Å; S391-R721 WeakPolarHBondContact O-CD 3.39Å; S391-R721 VanDerWaalsContact O-CG 3.27Å; S391-R721 WeakPolarHBondContact O-CG 3.44Å; S392-R721 PolarHBondContact O-NH1 3.27Å; T661-R721 WeakPolarHBondContact CG2-O 3.35Å; N696-R721 HydrophobicContact CB-CB 3.66Å; N696-R721 HydrophobicContact CB-CG 4.13Å; N696-R721 VanDerWaalsContact OD1-CZ 3.31Å; N696-R721 PolarHBondContact OD1-NE 3.35Å; N696-R721 PolarHBondContact OD1-NH2 3.39Å; N698-R721 PolarHBondContact ND2-O 3Å; N698-R721 WeakPolarHBondContact OD1-CB 3.47Å; N698-R721 PolarHBondContact OD1-N 3.31Å; R721-Y725 WeakPolarHBondContact CA-O 3.27Å; R721-Y725 VanDerWaalsContact NH2-CA 3.32Å; R721-A726 VanDerWaalsContact NH1-CB 3.29Å
722V92.3Very high93Very high6 Ų629.6 Ų29.64%0.03615%0.147CC..  trans-122.1-40.5-173.4-67.50000115.5T661 I720 Y725 V727 V740 R743T661-V722 PolarHBondContact OG1-O 3.02Å; I720-V722 HydrophobicContact CD1-CG1 3.6Å; I720-V722 HydrophobicContact CG1-CG1 3.92Å; V722-Y725 HydrophobicContact CG2-CD1 4.01Å; V722-Y725 HydrophobicContact CG2-CE1 3.48Å; V722-Y725 VanDerWaalsContact CG2-CE1 3.48Å; V722-Y725 HydrophobicContact CG2-CE2 4.17Å; V722-Y725 PolarHBondContact N-O 3.45Å; V722-V727 HydrophobicContact CG1-CG2 3.71Å; V722-V727 HydrophobicContact CG2-CG1 4.11Å; V722-V727 HydrophobicContact CG2-CG2 4.18Å; V722-V740 HydrophobicContact CG1-CG2 3.97Å; V722-R743 PolarHBondContact O-NH1 2.95Å
723S88.5Confident92.8Very high1 Ų130.9 Ų30.91%0.00715%0.154CC..SBendtrans-169.564.4-179.6-169.50000111T600 I601 Y725T600-S723 PolarHBondContact OG1-OG 3.48Å; I601-S723 WeakPolarHBondContact CA-OG 3.46Å; I601-S723 PolarHBondContact N-OG 3.45Å; I601-S723 VanDerWaalsContact N-OG 3.14Å; I601-S723 WeakPolarHBondContact O-CB 3.35Å; I601-S723 PolarHBondContact O-OG 3.36Å; S723-Y725 VanDerWaalsContact C-N 3.34Å
724G82.3Confident92.7Very high0 Ų030.7 Ų30.70%015%0.148CC..SBendtrans79.68-172.400000115.8Q394 C414 S659 N696Q394-G724 VanDerWaalsContact OE1-C 3.31Å; Q394-G724 PolarHBondContact OE1-O 2.77Å; C414-G724 VanDerWaalsContact CA-O 3.32Å; C414-G724 WeakPolarHBondContact CA-O 3.48Å; C414-G724 VanDerWaalsContact CB-O 3.27Å; C414-G724 WeakPolarHBondContact CB-O 3.14Å; C414-G724 PolarHBondContact SG-O 2.77Å; S659-G724 PolarHBondContact OG-N 3.43Å; N696-G724 WeakPolarHBondContact ND2-CA 3.39Å; N696-G724 PolarHBondContact ND2-N 2.82Å
725Y89.3Confident92.2Very high1 Ų129.2 Ų29.20%0.00414%0.141CC..SBendtrans-152.6169.917374.4-66.6000109.5S324 P327 W329 I601 R721 V722 S723 V727S324-Y725 PolarHBondContact N-OH 2.92Å; S324-Y725 WeakPolarHBondContact O-CE2 3.46Å; S324-Y725 PolarHBondContact O-OH 2.89Å; S324-Y725 PolarHBondContact OG-OH 3.43Å; S324-Y725 VanDerWaalsContact OG-OH 3.13Å; P327-Y725 HydrophobicContact CB-CD2 3.73Å; P327-Y725 HydrophobicContact CB-CE2 3.56Å; P327-Y725 HydrophobicContact CG-CE2 3.96Å; W329-Y725 AromaticContact NE1-CD1 3.9Å; W329-Y725 AromaticContact NE1-CG 3.59Å; I601-Y725 HydrophobicContact CB-CE1 4.41Å; I601-Y725 HydrophobicContact CD1-CD1 4.47Å; I601-Y725 HydrophobicContact CG2-CD1 4.02Å; I601-Y725 HydrophobicContact CG2-CE1 3.24Å; R721-Y725 WeakPolarHBondContact CA-O 3.27Å; R721-Y725 VanDerWaalsContact NH2-CA 3.32Å; V722-Y725 HydrophobicContact CG2-CD1 4.01Å; V722-Y725 HydrophobicContact CG2-CE1 3.48Å; V722-Y725 VanDerWaalsContact CG2-CE1 3.48Å; V722-Y725 HydrophobicContact CG2-CE2 4.17Å; V722-Y725 PolarHBondContact N-O 3.45Å; S723-Y725 VanDerWaalsContact C-N 3.34Å; Y725-V727 HydrophobicContact CD2-CG1 3.99Å; Y725-V727 HydrophobicContact CE2-CG1 3.28Å
726A94.6Very high91.8Very high3 Ų327.4 Ų27.43%0.02513%0.134CC..EExtended strand (participates in β ladder)trans-104.3157.9176.900000112.1P363 T719 I720 R721P363-A726 VanDerWaalsContact CA-CB 3.48Å; P363-A726 HydrophobicContact CB-CB 3.74Å; P363-A726 WeakPolarHBondContact CB-O 3.4Å; T719-A726 HydrophobicContact CG2-CB 3.74Å; I720-A726 CarbonylContact O-C 3.48Å; I720-A726 WeakPolarHBondContact O-CA 3.34Å; R721-A726 VanDerWaalsContact NH1-CB 3.29Å
727V94.5Very high91.7Very high0 Ų025.7 Ų25.70%012%0.122CC..EExtended strand (participates in β ladder)trans-140.2151.9171.5-64.90000109.9S324 T719 I720 V722 Y725 F729 L732S324-V727 WeakPolarHBondContact O-CG1 3.47Å; T719-V727 WeakPolarHBondContact CA-O 3.3Å; I720-V727 HydrophobicContact CD1-CG2 4.2Å; I720-V727 HydrophobicContact CG1-CG2 3.72Å; I720-V727 PolarHBondContact N-O 3.02Å; I720-V727 PolarHBondContact O-N 3Å; V722-V727 HydrophobicContact CG1-CG2 3.71Å; V722-V727 HydrophobicContact CG2-CG1 4.11Å; V722-V727 HydrophobicContact CG2-CG2 4.18Å; Y725-V727 HydrophobicContact CD2-CG1 3.99Å; Y725-V727 HydrophobicContact CE2-CG1 3.28Å; V727-F729 PolarHBondContact O-N 3.42Å; V727-L732 HydrophobicContact CB-CD2 4.39Å; V727-L732 HydrophobicContact CG1-CD2 4.43Å; V727-L732 HydrophobicContact CG2-CD1 3.9Å; V727-L732 HydrophobicContact CG2-CD2 3.95Å; V727-L732 HydrophobicContact CG2-CG 3.92Å
728N94.6Very high91.4Very high19 Ų1928.1 Ų28.110%0.10214%0.136CC..EExtended strand (participates in β ladder)trans-68125159.1-65104.4000108.3P363 L718 I730 K731P363-N728 VanDerWaalsContact CD-OD1 3.29Å; P363-N728 WeakPolarHBondContact CD-OD1 3.48Å; P363-N728 WeakPolarHBondContact CG-OD1 3.45Å; L718-N728 CarbonylContact O-C 3.58Å; L718-N728 VanDerWaalsContact O-CA 3.28Å; L718-N728 WeakPolarHBondContact O-CA 3.36Å; N728-I730 HydrophobicContact CB-CG1 4.41Å; N728-I730 PolarHBondContact O-N 3.48Å; N728-K731 HydrophobicContact CB-CB 4.43Å; N728-K731 HydrophobicContact CB-CD 4.24Å; N728-K731 HydrophobicContact CB-CG 4.05Å; N728-K731 WeakPolarHBondContact O-CB 3.39Å; N728-K731 PolarHBondContact O-N 3.17Å
729F95.1Very high90.9Very high0 Ų027 Ų270%013%0.13CC..G310 helixtrans-57.6-35.9-175-179.3-112.2000112.6L705 A708 M709 L718 I720 V727 K731 L732 Q737 V740 I741L705-F729 HydrophobicContact CB-CE1 4.28Å; L705-F729 HydrophobicContact CB-CE2 4.41Å; L705-F729 HydrophobicContact CB-CZ 3.98Å; L705-F729 HydrophobicContact CD1-CE2 4.27Å; L705-F729 HydrophobicContact CD2-CD1 4.5Å; L705-F729 HydrophobicContact CD2-CD2 4.32Å; L705-F729 HydrophobicContact CD2-CE2 4.43Å; L705-F729 HydrophobicContact CD2-CG 4.33Å; L705-F729 WeakPolarHBondContact O-CE1 3.4Å; A708-F729 HydrophobicContact CB-CD1 3.78Å; A708-F729 HydrophobicContact CB-CE1 4.03Å; M709-F729 HydrophobicContact CB-CE1 4.37Å; M709-F729 HydrophobicContact CG-CE1 3.51Å; M709-F729 HydrophobicContact CG-CZ 3.51Å; L718-F729 HydrophobicContact CD2-CB 4.11Å; L718-F729 HydrophobicContact CD2-CD1 4.21Å; L718-F729 HydrophobicContact CD2-CG 4.42Å; L718-F729 HydrophobicContact CG-CB 4.2Å; L718-F729 PolarHBondContact O-N 2.95Å; I720-F729 HydrophobicContact CD1-CD2 3.63Å; I720-F729 HydrophobicContact CD1-CE2 4.38Å; I720-F729 HydrophobicContact CG1-CB 4.41Å; I720-F729 HydrophobicContact CG1-CD2 4.4Å; V727-F729 PolarHBondContact O-N 3.42Å; F729-K731 PolarHBondContact O-N 2.75Å; F729-L732 HydrophobicContact CD2-CD1 4.26Å; F729-L732 WeakPolarHBondContact O-CB 3.36Å; F729-L732 PolarHBondContact O-N 2.76Å; F729-Q737 HydrophobicContact CD2-CG 4.29Å; F729-Q737 HydrophobicContact CE1-CG 4.25Å; F729-Q737 HydrophobicContact CE2-CB 3.86Å; F729-Q737 HydrophobicContact CE2-CG 3.74Å; F729-Q737 HydrophobicContact CZ-CB 3.74Å; F729-Q737 HydrophobicContact CZ-CG 3.72Å; F729-Q737 PolarHBondContact O-NE2 3.13Å; F729-V740 HydrophobicContact CE2-CG1 4.3Å; F729-I741 HydrophobicContact CZ-CD1 4.13Å; F729-I741 HydrophobicContact CZ-CG1 4.5Å
730I92Very high90.6Very high21 Ų2127.3 Ų27.311%0.10813%0.132CC..G310 helixtrans-72.3-10.7178.766163000114.1P712 N728P712-I730 HydrophobicContact CB-CB 4.15Å; P712-I730 HydrophobicContact CB-CG2 3.68Å; N728-I730 HydrophobicContact CB-CG1 4.41Å; N728-I730 PolarHBondContact O-N 3.48Å
731K90.5Very high90.4Very high78 Ų7828.2 Ų28.234%0.33914%0.137SC..G310 helixtrans-87.3-10.2173.3-72.4-171173-1710112.7D326 N728 F729D326-K731 IonicContact OD2-NZ 3.31Å; N728-K731 HydrophobicContact CB-CB 4.43Å; N728-K731 HydrophobicContact CB-CD 4.24Å; N728-K731 HydrophobicContact CB-CG 4.05Å; N728-K731 WeakPolarHBondContact O-CB 3.39Å; N728-K731 PolarHBondContact O-N 3.17Å; F729-K731 PolarHBondContact O-N 2.75Å
732L89.6Confident90.1Very high11 Ų1131.1 Ų31.16%0.05816%0.157CC..SBendtrans-78.2146.7174.7-64.7-177.9000110.4I720 V727 F729 Q736 Q737 V740I720-L732 HydrophobicContact CD1-CD1 4.11Å; V727-L732 HydrophobicContact CB-CD2 4.39Å; V727-L732 HydrophobicContact CG1-CD2 4.43Å; V727-L732 HydrophobicContact CG2-CD1 3.9Å; V727-L732 HydrophobicContact CG2-CD2 3.95Å; V727-L732 HydrophobicContact CG2-CG 3.92Å; F729-L732 HydrophobicContact CD2-CD1 4.26Å; F729-L732 WeakPolarHBondContact O-CB 3.36Å; F729-L732 PolarHBondContact O-N 2.76Å; L732-Q736 HydrophobicContact CB-CB 3.98Å; L732-Q736 HydrophobicContact CD1-CB 4.49Å; L732-Q736 HydrophobicContact CD2-CB 4.26Å; L732-Q736 HydrophobicContact CG-CB 4.49Å; L732-Q737 HydrophobicContact CB-CG 3.7Å; L732-V740 HydrophobicContact CD1-CG2 3.91Å
733T87.6Confident90Very high75 Ų7531.8 Ų31.846%0.4616%0.159SC..  trans-66.4158.1169.162.60000110.5E735 Q736 Q737T733-E735 PolarHBondContact O-N 2.94Å; T733-E735 VanDerWaalsContact O-N 3.15Å; T733-Q736 PolarHBondContact O-N 3.28Å; T733-Q736 VanDerWaalsContact OG1-CG 3.29Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.4Å; T733-Q736 PolarHBondContact OG1-N 3.37Å; T733-Q736 PolarHBondContact OG1-OE1 2.72Å; T733-Q736 VanDerWaalsContact OG1-OE1 3.05Å; T733-Q737 WeakPolarHBondContact O-CG 3.26Å; T733-Q737 PolarHBondContact O-N 3.43Å
734R90.4Very high90.2Very high120 Ų12033.1 Ų33.145%0.45317%0.167SC..Hα-helixtrans-52.7-40.1178.2-171.172.3-177.3-167.52.4112.4M709 E710 Q737 L738M709-R734 VanDerWaalsContact CE-CD 3.48Å; M709-R734 HydrophobicContact CE-CG 4.42Å; M709-R734 PolarHBondContact O-NH1 3.03Å; E710-R734 IonicContact OE1-CZ 2.68Å; E710-R734 VanDerWaalsContact OE1-CZ 3.26Å; E710-R734 IonicContact OE1-NH1 2.78Å; E710-R734 PolarHBondContact OE1-NH1 3.19Å; E710-R734 IonicContact OE1-NH2 2.77Å; E710-R734 PolarHBondContact OE1-NH2 2.72Å; R734-Q737 PolarHBondContact O-N 2.95Å; R734-L738 HydrophobicContact CG-CD1 4.4Å; R734-L738 VanDerWaalsContact O-CG 3.26Å; R734-L738 WeakPolarHBondContact O-CG 3.25Å; R734-L738 PolarHBondContact O-N 3.3Å
735E85.2Confident90.7Very high95 Ų9534 Ų3444%0.44417%0.171SC..Hα-helixtrans-63.5-45.4176.8-175.9-179.3-168.800112.4K609 T733 Q737 L738 D739K609-E735 VanDerWaalsContact CE-CD 3.47Å; K609-E735 WeakPolarHBondContact CE-OE1 3.33Å; K609-E735 IonicContact NZ-OE1 3.94Å; K609-E735 PolarHBondContact NZ-OE1 2.87Å; K609-E735 IonicContact NZ-OE2 2.74Å; K609-E735 PolarHBondContact NZ-OE2 3.3Å; T733-E735 PolarHBondContact O-N 2.94Å; T733-E735 VanDerWaalsContact O-N 3.15Å; E735-Q737 VanDerWaalsContact C-N 3.34Å; E735-L738 PolarHBondContact O-N 3Å; E735-D739 PolarHBondContact O-N 2.76Å
736Q85.5Confident90.8Very high19 Ų1934.4 Ų34.49%0.08917%0.173CC..Hα-helixtrans-66.5-36.5177-71.1159.8-12.400111.8S324 L732 T733 L738 D739 V740S324-Q736 VanDerWaalsContact CB-CD 3.49Å; S324-Q736 VanDerWaalsContact CB-NE2 3.3Å; L732-Q736 HydrophobicContact CB-CB 3.98Å; L732-Q736 HydrophobicContact CD1-CB 4.49Å; L732-Q736 HydrophobicContact CD2-CB 4.26Å; L732-Q736 HydrophobicContact CG-CB 4.49Å; T733-Q736 PolarHBondContact O-N 3.28Å; T733-Q736 VanDerWaalsContact OG1-CG 3.29Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.4Å; T733-Q736 PolarHBondContact OG1-N 3.37Å; T733-Q736 PolarHBondContact OG1-OE1 2.72Å; T733-Q736 VanDerWaalsContact OG1-OE1 3.05Å; Q736-L738 VanDerWaalsContact C-N 3.34Å; Q736-D739 PolarHBondContact O-N 3.19Å; Q736-V740 WeakPolarHBondContact O-CG2 3.32Å; Q736-V740 PolarHBondContact O-N 2.72Å
737Q91.4Very high90.6Very high15 Ų1541 Ų417%0.0720%0.203CC..Hα-helixtrans-63-41.6173.5-68.8177-26.100111.4M709 F729 L732 T733 R734 E735 V740 I741M709-Q737 HydrophobicContact CE-CB 3.63Å; M709-Q737 HydrophobicContact CG-CB 4.27Å; M709-Q737 HydrophobicContact SD-CB 4.46Å; F729-Q737 HydrophobicContact CD2-CG 4.29Å; F729-Q737 HydrophobicContact CE1-CG 4.25Å; F729-Q737 HydrophobicContact CE2-CB 3.86Å; F729-Q737 HydrophobicContact CE2-CG 3.74Å; F729-Q737 HydrophobicContact CZ-CB 3.74Å; F729-Q737 HydrophobicContact CZ-CG 3.72Å; F729-Q737 PolarHBondContact O-NE2 3.13Å; L732-Q737 HydrophobicContact CB-CG 3.7Å; T733-Q737 WeakPolarHBondContact O-CG 3.26Å; T733-Q737 PolarHBondContact O-N 3.43Å; R734-Q737 PolarHBondContact O-N 2.95Å; E735-Q737 VanDerWaalsContact C-N 3.34Å; Q737-V740 PolarHBondContact O-N 3.02Å; Q737-I741 WeakPolarHBondContact O-CG1 2.95Å; Q737-I741 PolarHBondContact O-N 2.91Å
738L90.2Very high90.4Very high91 Ų9144 Ų4448%0.47623%0.225SC..Hα-helixtrans-64.8-39.3175.7-71.2170.3000112.1M709 R734 E735 Q736 I741 S742M709-L738 HydrophobicContact CE-CD2 3.86Å; M709-L738 HydrophobicContact CE-CG 3.96Å; R734-L738 HydrophobicContact CG-CD1 4.4Å; R734-L738 VanDerWaalsContact O-CG 3.26Å; R734-L738 WeakPolarHBondContact O-CG 3.25Å; R734-L738 PolarHBondContact O-N 3.3Å; E735-L738 PolarHBondContact O-N 3Å; Q736-L738 VanDerWaalsContact C-N 3.34Å; L738-I741 PolarHBondContact O-N 3.34Å; L738-S742 WeakPolarHBondContact O-CB 3.41Å; L738-S742 PolarHBondContact O-N 2.81Å; L738-S742 PolarHBondContact O-OG 3.23Å
739D85.8Confident90Very high10 Ų1047.8 Ų47.85%0.05324%0.243CC..Hα-helixtrans-56.7-53.8170.6170.954.8000110.5H632 E735 Q736 I741 S742 R743H632-D739 IonicContact CD2-OD1 3.77Å; H632-D739 IonicContact CE1-OD1 3.5Å; H632-D739 IonicContact NE2-OD1 3.72Å; H632-D739 PolarHBondContact NE2-OD1 3.3Å; E735-D739 PolarHBondContact O-N 2.76Å; Q736-D739 PolarHBondContact O-N 3.19Å; D739-I741 VanDerWaalsContact C-N 3.3Å; D739-I741 PolarHBondContact O-N 3.14Å; D739-S742 PolarHBondContact O-N 3.26Å; D739-S742 VanDerWaalsContact O-N 3.08Å; D739-S742 PolarHBondContact O-OG 2.75Å; D739-R743 WeakPolarHBondContact O-CG 3.26Å; D739-R743 PolarHBondContact O-N 2.83Å; D739-R743 IonicContact OD2-CZ 3.12Å; D739-R743 IonicContact OD2-NE 3.57Å; D739-R743 PolarHBondContact OD2-NE 2.85Å; D739-R743 IonicContact OD2-NH2 3.58Å; D739-R743 PolarHBondContact OD2-NH2 2.84Å
740V90Very high89.7Confident8 Ų850.2 Ų50.25%0.04826%0.255CS..Hα-helixtrans-55.1-46.8179.8168.70000111.7L705 I720 V722 F729 L732 Q736 Q737 S742 R743L705-V740 HydrophobicContact CD1-CG1 3.8Å; I720-V740 HydrophobicContact CD1-CB 4.29Å; I720-V740 HydrophobicContact CD1-CG1 3.5Å; I720-V740 HydrophobicContact CD1-CG2 3.94Å; V722-V740 HydrophobicContact CG1-CG2 3.97Å; F729-V740 HydrophobicContact CE2-CG1 4.3Å; L732-V740 HydrophobicContact CD1-CG2 3.91Å; Q736-V740 WeakPolarHBondContact O-CG2 3.32Å; Q736-V740 PolarHBondContact O-N 2.72Å; Q737-V740 PolarHBondContact O-N 3.02Å; V740-S742 VanDerWaalsContact C-N 3.34Å; V740-R743 WeakPolarHBondContact O-CB 3.47Å; V740-R743 PolarHBondContact O-N 3.43Å
741I92.3Very high89.6Confident18 Ų1851.7 Ų51.79%0.09226%0.263CS..Hα-helixtrans-65-42.2179.7-72.5166.9000109.9R702 L705 I706 M709 F729 Q737 L738 D739 R743R702-I741 HydrophobicContact CG-CG2 4.1Å; R702-I741 PolarHBondContact NH1-O 3.46Å; R702-I741 PolarHBondContact NH2-O 3.04Å; L705-I741 HydrophobicContact CB-CD1 4.13Å; L705-I741 HydrophobicContact CB-CG1 3.91Å; L705-I741 HydrophobicContact CD1-CG1 4.06Å; I706-I741 HydrophobicContact CG1-CD1 4.25Å; M709-I741 HydrophobicContact CE-CD1 4.2Å; M709-I741 HydrophobicContact CG-CD1 3.91Å; M709-I741 HydrophobicContact SD-CD1 3.07Å; M709-I741 WeakPolarHBondContact SD-CD1 3.49Å; F729-I741 HydrophobicContact CZ-CD1 4.13Å; F729-I741 HydrophobicContact CZ-CG1 4.5Å; Q737-I741 WeakPolarHBondContact O-CG1 2.95Å; Q737-I741 PolarHBondContact O-N 2.91Å; L738-I741 PolarHBondContact O-N 3.34Å; D739-I741 VanDerWaalsContact C-N 3.3Å; D739-I741 PolarHBondContact O-N 3.14Å; I741-R743 PolarHBondContact O-N 3.13Å; I741-R743 VanDerWaalsContact O-N 3.08Å
742S89.8Confident89.5Confident62 Ų6250.3 Ų50.343%0.43426%0.259SS..Hα-helixtrans-65-13-178.372.10000115H632 L738 D739 V740H632-S742 PolarHBondContact CD2-OG 3.35Å; L738-S742 WeakPolarHBondContact O-CB 3.41Å; L738-S742 PolarHBondContact O-N 2.81Å; L738-S742 PolarHBondContact O-OG 3.23Å; D739-S742 PolarHBondContact O-N 3.26Å; D739-S742 VanDerWaalsContact O-N 3.08Å; D739-S742 PolarHBondContact O-OG 2.75Å; V740-S742 VanDerWaalsContact C-N 3.34Å
743R90.9Very high89.5Confident20 Ų2052.6 Ų52.68%0.07527%0.27CS..SBendtrans-61.9166.1177.2-67.8169.8-169.4-162.30112.6H632 R702 V722 D739 V740 I741 F745H632-R743 WeakPolarHBondContact NE2-CG 3.31Å; R702-R743 PolarHBondContact NH2-O 3.27Å; V722-R743 PolarHBondContact O-NH1 2.95Å; D739-R743 WeakPolarHBondContact O-CG 3.26Å; D739-R743 PolarHBondContact O-N 2.83Å; D739-R743 IonicContact OD2-CZ 3.12Å; D739-R743 IonicContact OD2-NE 3.57Å; D739-R743 PolarHBondContact OD2-NE 2.85Å; D739-R743 IonicContact OD2-NH2 3.58Å; D739-R743 PolarHBondContact OD2-NH2 2.84Å; V740-R743 WeakPolarHBondContact O-CB 3.47Å; V740-R743 PolarHBondContact O-N 3.43Å; I741-R743 PolarHBondContact O-N 3.13Å; I741-R743 VanDerWaalsContact O-N 3.08Å; R743-F745 VanDerWaalsContact O-CD2 3.29Å; R743-F745 WeakPolarHBondContact O-CD2 3.3Å
744T91.5Very high89.7Confident30 Ų3051.2 Ų51.218%0.18426%0.258CS..  trans-66.7132.2173.9-530000110.6G633 D635G633-T744 PolarHBondContact N-OG1 3.24Å; D635-T744 WeakPolarHBondContact OD1-CB 3.41Å; D635-T744 WeakPolarHBondContact OD1-CG2 3.45Å; D635-T744 PolarHBondContact OD1-OG1 3.04Å
745F93Very high89.6Confident19 Ų1946.6 Ų46.68%0.08325%0.246CC..  trans-119.3108.1169-76.6-118.6000106V665 F700 R702 L705 R743 E747V665-F745 HydrophobicContact CG1-CB 4.3Å; V665-F745 HydrophobicContact CG1-CD1 4.42Å; F700-F745 AromaticContact CD2-CE1 3.6Å; F700-F745 HydrophobicContact CD2-CE1 3.6Å; F700-F745 HydrophobicContact CD2-CZ 4.27Å; F700-F745 AromaticContact CE2-CE1 3.43Å; F700-F745 HydrophobicContact CE2-CE1 3.43Å; F700-F745 VanDerWaalsContact CE2-CE1 3.43Å; F700-F745 AromaticContact CE2-CZ 3.7Å; F700-F745 HydrophobicContact CE2-CZ 3.7Å; R702-F745 HydrophobicContact CB-CD1 4.42Å; R702-F745 HydrophobicContact CB-CE1 4.23Å; R702-F745 HydrophobicContact CB-CZ 4.48Å; L705-F745 HydrophobicContact CD1-CZ 4.01Å; R743-F745 VanDerWaalsContact O-CD2 3.29Å; R743-F745 WeakPolarHBondContact O-CD2 3.3Å; F745-E747 PolarHBondContact O-N 2.91Å
746H92.6Very high89.9Confident9 Ų943.1 Ų43.14%0.04223%0.231CC..BIsolated β-bridgetrans-66.7120.5-175.8-67.4-72.2000110.5D635 A639 F662 S663 I664 V665D635-H746 IonicContact OD2-CE1 2.71Å; D635-H746 PolarHBondContact OD2-CE1 2.93Å; D635-H746 IonicContact OD2-NE2 3.37Å; D635-H746 PolarHBondContact OD2-NE2 3.3Å; A639-H746 HydrophobicContact CB-CB 4.07Å; F662-H746 AromaticContact CD2-CD2 3.5Å; F662-H746 AromaticContact CD2-NE2 3.71Å; F662-H746 AromaticContact CE2-CD2 3.13Å; F662-H746 WeakPolarHBondContact CE2-CD2 3.36Å; F662-H746 AromaticContact CE2-CG 3.94Å; F662-H746 AromaticContact CE2-NE2 3.61Å; F662-H746 AromaticContact CZ-CD2 3.93Å; S663-H746 PolarHBondContact O-CD2 2.64Å; S663-H746 VanDerWaalsContact O-CD2 3.31Å; S663-H746 PolarHBondContact O-N 3.25Å; I664-H746 HydrophobicContact CB-CB 4.49Å; I664-H746 HydrophobicContact CG1-CB 4.32Å; V665-H746 PolarHBondContact N-O 3.43Å
747E91Very high90.3Very high140 Ų14045 Ų4565%0.65424%0.242SC*.SBendtrans-94.6-7.5176.8-58.8-164.2144.600113S668 F745S668-E747 WeakPolarHBondContact OG-CA 3.26Å; S668-E747 PolarHBondContact OG-O 3.12Å; F745-E747 PolarHBondContact O-N 2.91Å
748S90Very high90.2Very high65 Ų6547.5 Ų47.546%0.45526%0.257SS..  trans-140.7152.7174.268.70000110.8A639A639-S748 PolarHBondContact N-O 3.31Å; A639-S748 VanDerWaalsContact N-O 3.11Å
749M84.9Confident90.1Very high98 Ų9843.5 Ų43.548%0.48324%0.237SC..  trans-64.20167.9-72.1-153.8-67.200111.2A639 L640 N679A639-M749 WeakPolarHBondContact CB-OXT 3.22Å; A639-M749 PolarHBondContact N-OXT 3.06Å; L640-M749 WeakPolarHBondContact CB-OXT 3.21Å; L640-M749 VanDerWaalsContact CG-OXT 3.29Å; L640-M749 WeakPolarHBondContact CG-OXT 3.12Å; L640-M749 PolarHBondContact N-OXT 3.41Å; N679-M749 HydrophobicContact CB-SD 4.33Å

Retrieved 749 of 749 residues in 3789.3 ms (Link to these results)

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