X6R772_HUMAN Loading...

Glutaminyl-tRNA amidotransferase subunit QRSL1

AlphaFold DB , UniProt , Accession X6R772, Species HUMAN (Homo sapiens, Human), Gene QRSL1, Length 319 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
1M87.3Confident93.9Very high63 Ų6347 Ų4731%0.3126%0.257SS..  0-60.30-66.9-46.1-7500112.4G3 R4 V9 A12 I18 Y185M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 2.81Å; M1-R4 WeakPolarHBondContact O-CB 3.43Å; M1-R4 PolarHBondContact O-N 3.47Å; M1-R4 PolarHBondContact SD-NH1 3.12Å; M1-R4 VanDerWaalsContact SD-NH1 3.37Å; M1-V9 HydrophobicContact CE-CG2 4.06Å; M1-A12 HydrophobicContact CE-CB 3.37Å; M1-I18 HydrophobicContact CB-CD1 3.96Å; M1-I18 HydrophobicContact CE-CB 4.21Å; M1-I18 HydrophobicContact CE-CG2 3.54Å; M1-I18 HydrophobicContact CG-CD1 3.86Å; M1-Y185 PolarHBondContact O-OH 3.08Å
2L90.9Very high94.2Very high32 Ų3243.3 Ų43.317%0.16824%0.237CC..THydrogen-bonded Turntrans-60.1-32.1-174.7-57.9179.4000115.7R4 L23 K26 L30 F182 Y185 R235L2-R4 VanDerWaalsContact C-N 3.29Å; L2-R4 PolarHBondContact O-N 3.08Å; L2-L23 HydrophobicContact CD2-CD1 3.86Å; L2-K26 HydrophobicContact CD1-CB 4.13Å; L2-K26 HydrophobicContact CD2-CB 4.08Å; L2-K26 HydrophobicContact CG-CB 4.41Å; L2-L30 HydrophobicContact CD1-CD1 3.39Å; L2-L30 HydrophobicContact CD1-CG 3.96Å; L2-F182 HydrophobicContact CB-CB 4.36Å; L2-F182 WeakPolarHBondContact O-CD1 3.5Å; L2-Y185 WeakPolarHBondContact CA-OH 3.27Å; L2-R235 PolarHBondContact O-NH2 2.94Å
3G91.1Very high94.5Very high62 Ų6240.3 Ų40.364%0.63922%0.221SC*.THydrogen-bonded Turntrans-79.7-2.7176.200000115.4M1M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 2.81Å
4R95.3Very high94.7Very high100 Ų10045.1 Ų45.138%0.37724%0.239SC..SBendtrans-78.5161.6175.3-68.4-174.9-179.3176.3-0.1110.5M1 L2 E8 V9 Y185 R235M1-R4 WeakPolarHBondContact O-CB 3.43Å; M1-R4 PolarHBondContact O-N 3.47Å; M1-R4 PolarHBondContact SD-NH1 3.12Å; M1-R4 VanDerWaalsContact SD-NH1 3.37Å; L2-R4 VanDerWaalsContact C-N 3.29Å; L2-R4 PolarHBondContact O-N 3.08Å; R4-E8 HydrophobicContact CB-CB 4Å; R4-E8 WeakPolarHBondContact CB-OE2 3.36Å; R4-V9 HydrophobicContact CB-CG2 3.74Å; R4-Y185 WeakPolarHBondContact O-CE1 3.49Å; R4-R235 PolarHBondContact O-NH2 3.08Å
5S95.3Very high94.8Very high24 Ų2450.9 Ų50.917%0.16826%0.264CS..  trans-66.9159.7169.661.50000111.4R7 E8 V9S5-R7 VanDerWaalsContact C-N 3.26Å; S5-R7 PolarHBondContact O-N 3.07Å; S5-E8 WeakPolarHBondContact CB-OE2 3.45Å; S5-E8 PolarHBondContact N-OE2 2.74Å; S5-E8 PolarHBondContact O-N 2.86Å; S5-E8 WeakPolarHBondContact OG-CB 3.48Å; S5-E8 VanDerWaalsContact OG-CD 3.26Å; S5-E8 WeakPolarHBondContact OG-CG 3.5Å; S5-E8 PolarHBondContact OG-N 3.22Å; S5-E8 PolarHBondContact OG-OE2 3.08Å; S5-V9 WeakPolarHBondContact O-CG2 3.39Å; S5-V9 PolarHBondContact O-N 3.26Å
6L95Very high94.9Very high0 Ų051.6 Ų51.60%029%0.287CS..Hα-helixtrans-55.9-44.8173.2-174.7160000110.3E8 V9 S10 L68 I71 Y185 D239 I242 V243L6-E8 PolarHBondContact O-N 2.97Å; L6-V9 PolarHBondContact O-N 3.42Å; L6-S10 WeakPolarHBondContact O-CB 3.38Å; L6-S10 PolarHBondContact O-N 2.98Å; L6-L68 HydrophobicContact CD1-CD2 3.7Å; L6-L68 HydrophobicContact CD2-CD2 4.09Å; L6-L68 HydrophobicContact CG-CD2 4.42Å; L6-I71 HydrophobicContact CD1-CG2 3.87Å; L6-I71 HydrophobicContact CD2-CG1 4.48Å; L6-I71 HydrophobicContact CG-CD1 4.44Å; L6-I71 HydrophobicContact CG-CG1 4.31Å; L6-I71 HydrophobicContact CG-CG2 3.92Å; L6-Y185 HydrophobicContact CB-CD1 4.4Å; L6-D239 HydrophobicContact CB-CB 3.98Å; L6-D239 VanDerWaalsContact CB-OD1 3.24Å; L6-D239 WeakPolarHBondContact CB-OD1 3.35Å; L6-D239 WeakPolarHBondContact CB-OD2 3.33Å; L6-D239 VanDerWaalsContact N-CG 3.26Å; L6-D239 PolarHBondContact N-OD1 2.89Å; L6-D239 VanDerWaalsContact N-OD1 3.09Å; L6-D239 PolarHBondContact N-OD2 3.45Å; L6-I242 HydrophobicContact CD2-CD1 3.96Å; L6-I242 HydrophobicContact CD2-CG2 3.93Å; L6-V243 HydrophobicContact CD1-CG2 4.25Å
7R92.4Very high95Very high92 Ų9255.2 Ų55.235%0.34730%0.301SS..Hα-helixtrans-56.7-48.4177.9-175.4179.8-66-168.411.5112.5S5 V9 S10 A11 D238 D239 I242S5-R7 VanDerWaalsContact C-N 3.26Å; S5-R7 PolarHBondContact O-N 3.07Å; R7-V9 VanDerWaalsContact C-N 3.31Å; R7-V9 PolarHBondContact O-N 3.2Å; R7-S10 PolarHBondContact O-N 3.5Å; R7-A11 PolarHBondContact O-N 3.48Å; R7-D238 IonicContact CZ-OD1 3.84Å; R7-D238 IonicContact NH1-OD1 3.06Å; R7-D238 IonicContact NH2-OD1 3.9Å; R7-D238 PolarHBondContact NH2-OD1 3.17Å; R7-D239 PolarHBondContact N-OD1 3.4Å; R7-I242 HydrophobicContact CB-CD1 4.01Å
8E95.8Very high95.2Very high103 Ų10352.4 Ų52.448%0.48129%0.286SS..Hα-helixtrans-65.3-35.5179.6-71.9167.2129.800112.3R4 S5 L6 A12R4-E8 HydrophobicContact CB-CB 4Å; R4-E8 WeakPolarHBondContact CB-OE2 3.36Å; S5-E8 WeakPolarHBondContact CB-OE2 3.45Å; S5-E8 PolarHBondContact N-OE2 2.74Å; S5-E8 PolarHBondContact O-N 2.86Å; S5-E8 WeakPolarHBondContact OG-CB 3.48Å; S5-E8 VanDerWaalsContact OG-CD 3.26Å; S5-E8 WeakPolarHBondContact OG-CG 3.5Å; S5-E8 PolarHBondContact OG-N 3.22Å; S5-E8 PolarHBondContact OG-OE2 3.08Å; L6-E8 PolarHBondContact O-N 2.97Å; E8-A12 WeakPolarHBondContact O-CB 3.3Å; E8-A12 PolarHBondContact O-N 3.28Å
9V97.6Very high95.4Very high0 Ų052.2 Ų52.20%029%0.286CS..Hα-helixtrans-73.8-39.1178.1172.90000111.6M1 R4 S5 L6 R7 A11 A12 L13 L23 I71 Y185M1-V9 HydrophobicContact CE-CG2 4.06Å; R4-V9 HydrophobicContact CB-CG2 3.74Å; S5-V9 WeakPolarHBondContact O-CG2 3.39Å; S5-V9 PolarHBondContact O-N 3.26Å; L6-V9 PolarHBondContact O-N 3.42Å; R7-V9 VanDerWaalsContact C-N 3.31Å; R7-V9 PolarHBondContact O-N 3.2Å; V9-A11 VanDerWaalsContact C-N 3.31Å; V9-A11 PolarHBondContact O-N 2.72Å; V9-A12 WeakPolarHBondContact O-CB 3.48Å; V9-A12 PolarHBondContact O-N 3.49Å; V9-A12 VanDerWaalsContact O-N 3.14Å; V9-L13 HydrophobicContact CG1-CD1 4.32Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CG 3.27Å; V9-L13 PolarHBondContact O-N 2.92Å; V9-L23 HydrophobicContact CG1-CD1 4.3Å; V9-L23 HydrophobicContact CG1-CD2 3.49Å; V9-L23 VanDerWaalsContact CG1-CD2 3.49Å; V9-I71 HydrophobicContact CB-CD1 4.46Å; V9-I71 HydrophobicContact CG1-CD1 3.96Å; V9-Y185 HydrophobicContact CB-CE1 4.03Å; V9-Y185 HydrophobicContact CG1-CE1 4.34Å; V9-Y185 HydrophobicContact CG1-CE2 4.49Å; V9-Y185 HydrophobicContact CG2-CE1 3.52Å; V9-Y185 WeakPolarHBondContact CG2-OH 3.33Å
10S96.3Very high95.5Very high2 Ų249.7 Ų49.71%0.01427%0.273CS..Hα-helixtrans-57.8-45171.6-171.50000111.5L6 R7 A12 L13 K14 D67L6-S10 WeakPolarHBondContact O-CB 3.38Å; L6-S10 PolarHBondContact O-N 2.98Å; R7-S10 PolarHBondContact O-N 3.5Å; S10-A12 PolarHBondContact O-N 3.34Å; S10-L13 PolarHBondContact O-N 3.38Å; S10-K14 WeakPolarHBondContact O-CG 3.39Å; S10-K14 PolarHBondContact O-N 3.06Å; S10-D67 VanDerWaalsContact CB-O 3.29Å; S10-D67 WeakPolarHBondContact CB-O 3.32Å; S10-D67 VanDerWaalsContact OG-CA 3.3Å; S10-D67 WeakPolarHBondContact OG-CA 3.49Å; S10-D67 PolarHBondContact OG-O 3.06Å
11A96.1Very high95.7Very high39 Ų3948.4 Ų48.432%0.32227%0.266SS..Hα-helixtrans-61.9-41.917400000112.3R7 V9 K14 Q15R7-A11 PolarHBondContact O-N 3.48Å; V9-A11 VanDerWaalsContact C-N 3.31Å; V9-A11 PolarHBondContact O-N 2.72Å; A11-K14 PolarHBondContact O-N 3.36Å; A11-Q15 WeakPolarHBondContact O-CB 3.43Å; A11-Q15 VanDerWaalsContact O-CG 3.23Å; A11-Q15 WeakPolarHBondContact O-CG 3.23Å; A11-Q15 PolarHBondContact O-N 2.8Å
12A97.7Very high96.2Very high2 Ų249.1 Ų49.12%0.01727%0.269CS..Hα-helixtrans-65.4-36.717800000113M1 E8 V9 S10 Q15 G16 Q17 I18M1-A12 HydrophobicContact CE-CB 3.37Å; E8-A12 WeakPolarHBondContact O-CB 3.3Å; E8-A12 PolarHBondContact O-N 3.28Å; V9-A12 WeakPolarHBondContact O-CB 3.48Å; V9-A12 PolarHBondContact O-N 3.49Å; V9-A12 VanDerWaalsContact O-N 3.14Å; S10-A12 PolarHBondContact O-N 3.34Å; A12-Q15 PolarHBondContact O-N 3.32Å; A12-G16 PolarHBondContact O-N 3.39Å; A12-G16 VanDerWaalsContact O-N 3.13Å; A12-Q17 HydrophobicContact CB-CB 4.15Å; A12-Q17 PolarHBondContact O-N 2.97Å; A12-I18 HydrophobicContact CB-CG2 4.31Å
13L97.9Very high96.6Very high5 Ų547.6 Ų47.63%0.02626%0.261CS..Hα-helixtrans-63.4-48.4173.4-71.4167.5000110.8V9 S10 Q15 G16 I18 P20 L23 Y59 I71V9-L13 HydrophobicContact CG1-CD1 4.32Å; V9-L13 HydrophobicContact CG1-CG 4.47Å; V9-L13 WeakPolarHBondContact O-CG 3.27Å; V9-L13 PolarHBondContact O-N 2.92Å; S10-L13 PolarHBondContact O-N 3.38Å; L13-Q15 PolarHBondContact O-N 2.9Å; L13-G16 PolarHBondContact O-N 3.49Å; L13-I18 HydrophobicContact CD2-CG2 3.86Å; L13-I18 WeakPolarHBondContact CD2-O 3.27Å; L13-I18 HydrophobicContact CG-CG2 4.22Å; L13-P20 HydrophobicContact CD2-CG 3.95Å; L13-L23 HydrophobicContact CD1-CD2 4.35Å; L13-Y59 HydrophobicContact CB-CE1 4.06Å; L13-Y59 HydrophobicContact CB-CE2 4.19Å; L13-I71 HydrophobicContact CD1-CD1 3.73Å
14K96.5Very high97Very high108 Ų10844.7 Ų44.747%0.4723%0.231SC..Hα-helixtrans-59.6-32.8176.4-69.5173-171.9176.30112.7S10 A11 G16 Y59 D67S10-K14 WeakPolarHBondContact O-CG 3.39Å; S10-K14 PolarHBondContact O-N 3.06Å; A11-K14 PolarHBondContact O-N 3.36Å; K14-G16 VanDerWaalsContact C-N 3.34Å; K14-Y59 HydrophobicContact CB-CE1 4.47Å; K14-Y59 HydrophobicContact CG-CE1 3.85Å; K14-D67 IonicContact NZ-OD1 2.95Å; K14-D67 PolarHBondContact NZ-OD1 3.36Å
15Q96.4Very high97.1Very high132 Ų13245 Ų4562%0.61724%0.237SC*.THydrogen-bonded Turntrans-86.1-2.2178-68169.723.300113.6A11 A12 L13 Q17A11-Q15 WeakPolarHBondContact O-CB 3.43Å; A11-Q15 VanDerWaalsContact O-CG 3.23Å; A11-Q15 WeakPolarHBondContact O-CG 3.23Å; A11-Q15 PolarHBondContact O-N 2.8Å; A12-Q15 PolarHBondContact O-N 3.32Å; L13-Q15 PolarHBondContact O-N 2.9Å; Q15-Q17 VanDerWaalsContact C-N 3.26Å; Q15-Q17 HydrophobicContact CB-CG 4.1Å; Q15-Q17 PolarHBondContact O-N 3.07Å
16G96.3Very high97.3Very high62 Ų6247.7 Ų47.764%0.63925%0.245SC*.THydrogen-bonded Turntrans68.319.4-178.400000114.7A12 L13 K14 I18A12-G16 PolarHBondContact O-N 3.39Å; A12-G16 VanDerWaalsContact O-N 3.13Å; L13-G16 PolarHBondContact O-N 3.49Å; K14-G16 VanDerWaalsContact C-N 3.34Å; G16-I18 VanDerWaalsContact C-N 3.3Å
17Q97.8Very high97.5Very high112 Ų11247.7 Ų47.752%0.52325%0.245SC..SBendtrans-74.2-23.1177.8-64.5-178.32.100113A12 Q15A12-Q17 HydrophobicContact CB-CB 4.15Å; A12-Q17 PolarHBondContact O-N 2.97Å; Q15-Q17 VanDerWaalsContact C-N 3.26Å; Q15-Q17 HydrophobicContact CB-CG 4.1Å; Q15-Q17 PolarHBondContact O-N 3.07Å
18I98Very high97.8Very high5 Ų543.5 Ų43.53%0.02623%0.23CC..SBendtrans-147.2150.7172.2-171.7162.8000106.9M1 A12 L13 G16 E22 L23 K26M1-I18 HydrophobicContact CB-CD1 3.96Å; M1-I18 HydrophobicContact CE-CB 4.21Å; M1-I18 HydrophobicContact CE-CG2 3.54Å; M1-I18 HydrophobicContact CG-CD1 3.86Å; A12-I18 HydrophobicContact CB-CG2 4.31Å; L13-I18 HydrophobicContact CD2-CG2 3.86Å; L13-I18 WeakPolarHBondContact CD2-O 3.27Å; L13-I18 HydrophobicContact CG-CG2 4.22Å; G16-I18 VanDerWaalsContact C-N 3.3Å; I18-E22 HydrophobicContact CG1-CB 4.02Å; I18-E22 HydrophobicContact CG1-CG 4.31Å; I18-L23 HydrophobicContact CD1-CB 3.93Å; I18-L23 HydrophobicContact CD1-CD1 4.06Å; I18-L23 HydrophobicContact CG1-CB 4.26Å; I18-K26 HydrophobicContact CD1-CD 4.45Å
19T98.5Very high97.9Very high48 Ų4841.1 Ų41.129%0.29423%0.225SC..  trans-96.3156.5172.481.50000111.6T21 E22 L23 E56T19-T21 PolarHBondContact O-N 3.42Å; T19-T21 PolarHBondContact OG1-N 3.03Å; T19-E22 PolarHBondContact O-N 3Å; T19-E22 PolarHBondContact OG1-N 2.7Å; T19-E22 VanDerWaalsContact OG1-N 3.12Å; T19-L23 WeakPolarHBondContact O-CB 3.23Å; T19-L23 PolarHBondContact O-N 3.37Å; T19-E56 WeakPolarHBondContact CB-OE2 3.38Å; T19-E56 PolarHBondContact OG1-OE2 2.94Å
20P98.6Very high97.9Very high3 Ų343.1 Ų43.12%0.01924%0.235CC..Hα-helixtrans-54.4-40.6172.7-26.634.3000112.7L13 L23 C24 A52 S55 E56 Y59L13-P20 HydrophobicContact CD2-CG 3.95Å; P20-L23 PolarHBondContact O-N 2.96Å; P20-C24 VanDerWaalsContact O-CB 3.26Å; P20-C24 WeakPolarHBondContact O-CB 3.43Å; P20-C24 PolarHBondContact O-N 2.8Å; P20-A52 HydrophobicContact CB-CB 4.39Å; P20-S55 WeakPolarHBondContact CG-OG 3.33Å; P20-E56 HydrophobicContact CG-CB 4.2Å; P20-Y59 HydrophobicContact CG-CD2 3.58Å; P20-Y59 HydrophobicContact CG-CE2 3.77Å
21T98.7Very high98.1Very high22 Ų2243.5 Ų43.514%0.13524%0.237CC..Hα-helixtrans-63.6-47.1178.4-47.60000111.6T19 L23 C24 Q25 E56T19-T21 PolarHBondContact O-N 3.42Å; T19-T21 PolarHBondContact OG1-N 3.03Å; T21-L23 VanDerWaalsContact C-N 3.32Å; T21-L23 PolarHBondContact O-N 2.87Å; T21-C24 PolarHBondContact O-N 3.25Å; T21-Q25 WeakPolarHBondContact O-CB 3.4Å; T21-Q25 VanDerWaalsContact O-CG 3.29Å; T21-Q25 WeakPolarHBondContact O-CG 3.3Å; T21-Q25 PolarHBondContact O-N 3.39Å; T21-E56 WeakPolarHBondContact CB-OE2 3.48Å; T21-E56 PolarHBondContact OG1-OE2 3.05Å
22E98.7Very high98.2Very high79 Ų7947.5 Ų47.537%0.36925%0.247SC..Hα-helixtrans-61.9-42.6177.2-167.2-165157.800111I18 T19 Q25 K26I18-E22 HydrophobicContact CG1-CB 4.02Å; I18-E22 HydrophobicContact CG1-CG 4.31Å; T19-E22 PolarHBondContact O-N 3Å; T19-E22 PolarHBondContact OG1-N 2.7Å; T19-E22 VanDerWaalsContact OG1-N 3.12Å; E22-Q25 PolarHBondContact O-N 3.48Å; E22-K26 WeakPolarHBondContact O-CG 3.24Å; E22-K26 PolarHBondContact O-N 2.96Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.42Å; E22-K26 PolarHBondContact OE1-NZ 2.95Å
23L98.8Very high98.2Very high0 Ų054.4 Ų54.40%028%0.276CS..Hα-helixtrans-63.8-46.5178.6-179.366000112L2 V9 L13 I18 T19 P20 T21 K26 C27 P72 Y185L2-L23 HydrophobicContact CD2-CD1 3.86Å; V9-L23 HydrophobicContact CG1-CD1 4.3Å; V9-L23 HydrophobicContact CG1-CD2 3.49Å; V9-L23 VanDerWaalsContact CG1-CD2 3.49Å; L13-L23 HydrophobicContact CD1-CD2 4.35Å; I18-L23 HydrophobicContact CD1-CB 3.93Å; I18-L23 HydrophobicContact CD1-CD1 4.06Å; I18-L23 HydrophobicContact CG1-CB 4.26Å; T19-L23 WeakPolarHBondContact O-CB 3.23Å; T19-L23 PolarHBondContact O-N 3.37Å; P20-L23 PolarHBondContact O-N 2.96Å; T21-L23 VanDerWaalsContact C-N 3.32Å; T21-L23 PolarHBondContact O-N 2.87Å; L23-K26 PolarHBondContact O-N 3.02Å; L23-C27 PolarHBondContact O-N 3.03Å; L23-C27 VanDerWaalsContact O-N 3.08Å; L23-P72 HydrophobicContact CD2-CG 4.16Å; L23-P72 HydrophobicContact CG-CG 4.03Å; L23-Y185 HydrophobicContact CD1-CE2 3.82Å; L23-Y185 WeakPolarHBondContact CD1-OH 3.46Å; L23-Y185 HydrophobicContact CD2-CE2 4.04Å; L23-Y185 HydrophobicContact CG-CE2 4.24Å
24C98.8Very high98.1Very high0 Ų055.3 Ų55.30%028%0.282CS..Hα-helixtrans-57.5-49176.5-177.60000111.5P20 T21 K26 C27 L28 A48 A52 L114P20-C24 VanDerWaalsContact O-CB 3.26Å; P20-C24 WeakPolarHBondContact O-CB 3.43Å; P20-C24 PolarHBondContact O-N 2.8Å; T21-C24 PolarHBondContact O-N 3.25Å; C24-K26 VanDerWaalsContact C-N 3.34Å; C24-K26 PolarHBondContact O-N 3.05Å; C24-C27 WeakPolarHBondContact O-CB 3.37Å; C24-C27 PolarHBondContact O-N 2.93Å; C24-C27 VanDerWaalsContact O-N 3.15Å; C24-L28 WeakPolarHBondContact O-CG 3.49Å; C24-L28 PolarHBondContact O-N 3.06Å; C24-A48 PolarHBondContact SG-O 2.89Å; C24-A52 HydrophobicContact CB-CB 3.75Å; C24-L114 HydrophobicContact CB-CD1 3.85Å
25Q98.8Very high98.2Very high107 Ų10758.2 Ų58.250%0.530%0.295SS..Hα-helixtrans-60.6-40.4178.3-73.2172.8-200112.7T21 E22 L28 S29 L49T21-Q25 WeakPolarHBondContact O-CB 3.4Å; T21-Q25 VanDerWaalsContact O-CG 3.29Å; T21-Q25 WeakPolarHBondContact O-CG 3.3Å; T21-Q25 PolarHBondContact O-N 3.39Å; E22-Q25 PolarHBondContact O-N 3.48Å; Q25-L28 PolarHBondContact O-N 2.8Å; Q25-S29 WeakPolarHBondContact O-CB 3.3Å; Q25-S29 PolarHBondContact O-N 3.01Å; Q25-L49 HydrophobicContact CG-CD2 3.81Å
26K98.8Very high98.1Very high80 Ų8058.5 Ų58.535%0.34830%0.295SS..Hα-helixtrans-62.3-42.5175-73.3-173.6-153.6-630111.8L2 I18 E22 L23 C24 S29 L30L2-K26 HydrophobicContact CD1-CB 4.13Å; L2-K26 HydrophobicContact CD2-CB 4.08Å; L2-K26 HydrophobicContact CG-CB 4.41Å; I18-K26 HydrophobicContact CD1-CD 4.45Å; E22-K26 WeakPolarHBondContact O-CG 3.24Å; E22-K26 PolarHBondContact O-N 2.96Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.42Å; E22-K26 PolarHBondContact OE1-NZ 2.95Å; L23-K26 PolarHBondContact O-N 3.02Å; C24-K26 VanDerWaalsContact C-N 3.34Å; C24-K26 PolarHBondContact O-N 3.05Å; K26-S29 PolarHBondContact O-N 2.65Å; K26-L30 PolarHBondContact O-N 2.56Å; K26-L30 VanDerWaalsContact O-N 3.11Å
27C98.8Very high98.1Very high0 Ų055.8 Ų55.80%027%0.265CS..Hα-helixtrans-64.6-46.7175.4-76.30000112.2L23 C24 S29 L30 I31 P72 M116 T183L23-C27 PolarHBondContact O-N 3.03Å; L23-C27 VanDerWaalsContact O-N 3.08Å; C24-C27 WeakPolarHBondContact O-CB 3.37Å; C24-C27 PolarHBondContact O-N 2.93Å; C24-C27 VanDerWaalsContact O-N 3.15Å; C27-S29 VanDerWaalsContact C-N 3.3Å; C27-S29 PolarHBondContact O-N 3.34Å; C27-L30 WeakPolarHBondContact O-CB 3.27Å; C27-L30 PolarHBondContact O-N 3.03Å; C27-L30 VanDerWaalsContact O-N 3.09Å; C27-I31 WeakPolarHBondContact O-CG1 3.3Å; C27-I31 PolarHBondContact O-N 3.16Å; C27-P72 HydrophobicContact CB-CB 4.34Å; C27-P72 HydrophobicContact CB-CG 4.33Å; C27-M116 HydrophobicContact CB-CE 3.67Å; C27-T183 VanDerWaalsContact CB-O 3.31Å; C27-T183 WeakPolarHBondContact CB-O 3.43Å
28L98.9Very high98.1Very high5 Ų552.8 Ų52.83%0.02625%0.253CS..Hα-helixtrans-59.2-39.8175.1-72.2165.5000112.3C24 Q25 L30 I31 K32 V43 E45 L49 M116C24-L28 WeakPolarHBondContact O-CG 3.49Å; C24-L28 PolarHBondContact O-N 3.06Å; Q25-L28 PolarHBondContact O-N 2.8Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 3.39Å; L28-I31 HydrophobicContact CD2-CD1 4.4Å; L28-I31 PolarHBondContact O-N 3.38Å; L28-K32 WeakPolarHBondContact O-CG 3.38Å; L28-K32 PolarHBondContact O-N 2.75Å; L28-K32 VanDerWaalsContact O-N 3.11Å; L28-V43 HydrophobicContact CD2-CG1 4.01Å; L28-E45 HydrophobicContact CD1-CG 3.94Å; L28-E45 HydrophobicContact CD2-CB 3.99Å; L28-E45 HydrophobicContact CD2-CG 4.08Å; L28-L49 HydrophobicContact CD1-CD1 4.3Å; L28-L49 HydrophobicContact CD1-CD2 3.88Å; L28-L49 HydrophobicContact CD1-CG 3.84Å; L28-M116 HydrophobicContact CD2-CE 3.73Å; L28-M116 HydrophobicContact CG-CE 3.66Å
29S98.6Very high98.2Very high53 Ų5352.8 Ų52.837%0.37125%0.254SS..Hα-helixtrans-61.6-40.9174.4-172.60000111.8Q25 K26 C27 K32 K33Q25-S29 WeakPolarHBondContact O-CB 3.3Å; Q25-S29 PolarHBondContact O-N 3.01Å; K26-S29 PolarHBondContact O-N 2.65Å; C27-S29 VanDerWaalsContact C-N 3.3Å; C27-S29 PolarHBondContact O-N 3.34Å; S29-K32 PolarHBondContact O-N 3.06Å; S29-K33 WeakPolarHBondContact O-CG 3.32Å; S29-K33 PolarHBondContact O-N 2.57Å; S29-K33 VanDerWaalsContact O-N 3.13Å
30L98.2Very high98.2Very high41 Ų4151.6 Ų51.622%0.21524%0.244CC..Hα-helixtrans-65.5-43.2173.6-77.8-171.1000112.2L2 K26 C27 L28 K32 K33 T34 F182 T183L2-L30 HydrophobicContact CD1-CD1 3.39Å; L2-L30 HydrophobicContact CD1-CG 3.96Å; K26-L30 PolarHBondContact O-N 2.56Å; K26-L30 VanDerWaalsContact O-N 3.11Å; C27-L30 WeakPolarHBondContact O-CB 3.27Å; C27-L30 PolarHBondContact O-N 3.03Å; C27-L30 VanDerWaalsContact O-N 3.09Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 3.39Å; L30-K32 PolarHBondContact O-N 3.37Å; L30-K33 HydrophobicContact CD2-CD 4.46Å; L30-K33 CarbonylContact O-C 3.58Å; L30-K33 PolarHBondContact O-N 3.13Å; L30-T34 PolarHBondContact O-N 3.01Å; L30-T34 PolarHBondContact O-OG1 3.26Å; L30-F182 HydrophobicContact CD1-CB 3.97Å; L30-T183 HydrophobicContact CB-CG2 4.06Å
31I98.6Very high98.2Very high11 Ų1153 Ų536%0.05625%0.251CS..Hα-helixtrans-52.5-44.4175.8-67.3173.2000110.6C27 L28 T34 K35 Y40 V43 M116 T183C27-I31 WeakPolarHBondContact O-CG1 3.3Å; C27-I31 PolarHBondContact O-N 3.16Å; L28-I31 HydrophobicContact CD2-CD1 4.4Å; L28-I31 PolarHBondContact O-N 3.38Å; I31-T34 PolarHBondContact O-N 3.38Å; I31-K35 PolarHBondContact O-N 3.35Å; I31-K35 VanDerWaalsContact O-N 3.15Å; I31-Y40 HydrophobicContact CD1-CE1 4.31Å; I31-Y40 HydrophobicContact CD1-CE2 3.96Å; I31-Y40 HydrophobicContact CG1-CD2 4.41Å; I31-Y40 HydrophobicContact CG1-CE2 3.79Å; I31-Y40 HydrophobicContact CG2-CD2 4.11Å; I31-Y40 HydrophobicContact CG2-CE2 4.33Å; I31-V43 HydrophobicContact CD1-CG1 4.31Å; I31-V43 HydrophobicContact CG2-CG1 4.18Å; I31-V43 HydrophobicContact CG2-CG2 3.64Å; I31-M116 HydrophobicContact CD1-CB 4.27Å; I31-M116 HydrophobicContact CD1-CE 3.89Å; I31-T183 HydrophobicContact CG1-CG2 3.81Å
32K98.4Very high98.2Very high123 Ų12353.8 Ų53.854%0.53526%0.256SS..Hα-helixtrans-62.6-44.1176.9-68.7173.6-175.8174.30111.8L28 S29 L30 K35 E45L28-K32 WeakPolarHBondContact O-CG 3.38Å; L28-K32 PolarHBondContact O-N 2.75Å; L28-K32 VanDerWaalsContact O-N 3.11Å; S29-K32 PolarHBondContact O-N 3.06Å; L30-K32 PolarHBondContact O-N 3.37Å; K32-K35 WeakPolarHBondContact O-CB 3.43Å; K32-E45 WeakPolarHBondContact CE-OE2 3.27Å; K32-E45 VanDerWaalsContact NZ-CD 3.3Å; K32-E45 IonicContact NZ-OE1 3.92Å; K32-E45 PolarHBondContact NZ-OE1 3.16Å; K32-E45 IonicContact NZ-OE2 3.7Å; K32-E45 PolarHBondContact NZ-OE2 3.49Å
33K97.6Very high98.2Very high146 Ų14653 Ų5364%0.63526%0.256SS*.Hα-helixtrans-69.9-32.6179.6-70.6176.1-178179.60113.5S29 L30 F36S29-K33 WeakPolarHBondContact O-CG 3.32Å; S29-K33 PolarHBondContact O-N 2.57Å; S29-K33 VanDerWaalsContact O-N 3.13Å; L30-K33 HydrophobicContact CD2-CD 4.46Å; L30-K33 CarbonylContact O-C 3.58Å; L30-K33 PolarHBondContact O-N 3.13Å; K33-F36 WeakPolarHBondContact O-CE1 3.39Å
34T97.2Very high98.1Very high25 Ų2553.4 Ų53.415%0.15326%0.259CS..THydrogen-bonded Turntrans-99.817.7-177.765.80000112.7L30 I31 F36 L37 A181L30-T34 PolarHBondContact O-N 3.01Å; L30-T34 PolarHBondContact O-OG1 3.26Å; I31-T34 PolarHBondContact O-N 3.38Å; T34-F36 PolarHBondContact O-N 3.38Å; T34-F36 VanDerWaalsContact O-N 3.08Å; T34-L37 HydrophobicContact CG2-CD1 4.46Å; T34-L37 WeakPolarHBondContact O-CB 3.44Å; T34-L37 PolarHBondContact O-N 3.01Å; T34-A181 HydrophobicContact CG2-CB 4.38Å
35K97.2Very high98.1Very high169 Ų16956.6 Ų56.674%0.73527%0.274SS*.G310 helixtrans-53.2-31.7179.2-174.3177.9-179.8-178.80112.7I31 K32 L37 N38I31-K35 PolarHBondContact O-N 3.35Å; I31-K35 VanDerWaalsContact O-N 3.15Å; K32-K35 WeakPolarHBondContact O-CB 3.43Å; K35-L37 PolarHBondContact O-N 2.99Å; K35-L37 VanDerWaalsContact O-N 3.14Å; K35-N38 PolarHBondContact O-N 3.21Å
36F95Very high98.1Very high138 Ų13859.4 Ų59.461%0.60529%0.287SS*.G310 helixtrans-61.4-18.2177.370.1-91.7000114.2K33 T34 N38K33-F36 WeakPolarHBondContact O-CE1 3.39Å; T34-F36 PolarHBondContact O-N 3.38Å; T34-F36 VanDerWaalsContact O-N 3.08Å; F36-N38 VanDerWaalsContact C-N 3.31Å
37L96.6Very high98.1Very high5 Ų558.2 Ų58.23%0.02629%0.287CS..G310 helixtrans-76.7-18.5173.6-60.9178.8000113.1T34 K35 A39 V138 K139 P141 A181T34-L37 HydrophobicContact CG2-CD1 4.46Å; T34-L37 WeakPolarHBondContact O-CB 3.44Å; T34-L37 PolarHBondContact O-N 3.01Å; K35-L37 PolarHBondContact O-N 2.99Å; K35-L37 VanDerWaalsContact O-N 3.14Å; L37-A39 VanDerWaalsContact C-N 3.27Å; L37-A39 PolarHBondContact O-N 2.91Å; L37-V138 WeakPolarHBondContact O-CA 3.49Å; L37-V138 WeakPolarHBondContact O-CG1 3.31Å; L37-K139 HydrophobicContact CD2-CB 4.33Å; L37-K139 WeakPolarHBondContact CD2-O 3.34Å; L37-K139 PolarHBondContact O-N 2.78Å; L37-P141 HydrophobicContact CD1-CB 4.37Å; L37-P141 HydrophobicContact CD1-CG 3.93Å; L37-A181 HydrophobicContact CD1-CB 3.69Å
38N98.1Very high98.1Very high48 Ų4858.2 Ų58.226%0.25729%0.287SS..  trans56.936.2-178.7-158.436.5000114.2K35 F36 Y40 N120 F135 G136 P137K35-N38 PolarHBondContact O-N 3.21Å; F36-N38 VanDerWaalsContact C-N 3.31Å; N38-Y40 VanDerWaalsContact C-N 3.34Å; N38-Y40 PolarHBondContact O-N 2.84Å; N38-N120 PolarHBondContact ND2-ND2 3.01Å; N38-N120 WeakPolarHBondContact O-CB 3.2Å; N38-N120 PolarHBondContact O-ND2 3.25Å; N38-F135 PolarHBondContact ND2-O 2.98Å; N38-G136 PolarHBondContact ND2-O 2.94Å; N38-G136 VanDerWaalsContact ND2-O 3.16Å; N38-P137 WeakPolarHBondContact CB-O 3.38Å; N38-P137 PolarHBondContact ND2-O 3.4Å; N38-P137 VanDerWaalsContact ND2-O 3.11Å
39A98.7Very high98.1Very high6 Ų660 Ų605%0.0530%0.296CS..  trans-71.3-24.2-175.800000114.2L37 T119 N120 G174 A177 A178L37-A39 VanDerWaalsContact C-N 3.27Å; L37-A39 PolarHBondContact O-N 2.91Å; A39-T119 CarbonylContact O-C 3.33Å; A39-T119 VanDerWaalsContact O-CA 3.24Å; A39-T119 WeakPolarHBondContact O-CA 3.47Å; A39-T119 WeakPolarHBondContact O-CB 3.49Å; A39-N120 PolarHBondContact O-N 2.85Å; A39-G174 WeakPolarHBondContact O-CA 3.46Å; A39-A177 HydrophobicContact CB-CB 3.85Å; A39-A178 HydrophobicContact CB-CB 4.34Å
40Y98.9Very high98.1Very high23 Ų2363.7 Ų63.79%0.0931%0.305CS..EExtended strand (participates in β ladder)trans-119.3133.9-175.8-65.4-96.1000110.9I31 N38 V43 A74 M116 K118 T119 A178 T183I31-Y40 HydrophobicContact CD1-CE1 4.31Å; I31-Y40 HydrophobicContact CD1-CE2 3.96Å; I31-Y40 HydrophobicContact CG1-CD2 4.41Å; I31-Y40 HydrophobicContact CG1-CE2 3.79Å; I31-Y40 HydrophobicContact CG2-CD2 4.11Å; I31-Y40 HydrophobicContact CG2-CE2 4.33Å; N38-Y40 VanDerWaalsContact C-N 3.34Å; N38-Y40 PolarHBondContact O-N 2.84Å; Y40-V43 HydrophobicContact CG-CG2 4.2Å; Y40-A74 HydrophobicContact CE1-CB 3.81Å; Y40-M116 HydrophobicContact CE1-CB 4.33Å; Y40-K118 WeakPolarHBondContact CA-O 3.31Å; Y40-T119 HydrophobicContact CD1-CG2 4.15Å; Y40-T119 HydrophobicContact CE1-CG2 4.02Å; Y40-A178 HydrophobicContact CE2-CB 3.86Å; Y40-T183 WeakPolarHBondContact CE2-OG1 3.24Å; Y40-T183 PolarHBondContact OH-OG1 3.28Å
41I98.7Very high98.1Very high31 Ų3163.3 Ų63.316%0.15930%0.303CS..EExtended strand (participates in β ladder)trans-79.1-48165.4-69.7170.9000108.8D77 A89 K118 N120 L121 F135I41-D77 HydrophobicContact CD1-CB 3.85Å; I41-A89 HydrophobicContact CD1-CB 3.96Å; I41-K118 PolarHBondContact N-O 3.2Å; I41-N120 HydrophobicContact CD1-CB 4.35Å; I41-N120 HydrophobicContact CG1-CB 3.86Å; I41-L121 HydrophobicContact CD1-CD2 3.74Å; I41-F135 HydrophobicContact CD1-CD2 3.56Å; I41-F135 HydrophobicContact CD1-CE2 3.94Å; I41-F135 HydrophobicContact CD1-CG 4.2Å; I41-F135 HydrophobicContact CG1-CB 4.13Å; I41-F135 HydrophobicContact CG1-CD1 4.47Å; I41-F135 HydrophobicContact CG1-CD2 3.74Å; I41-F135 HydrophobicContact CG1-CE2 4.3Å; I41-F135 HydrophobicContact CG1-CG 3.84Å; I41-F135 HydrophobicContact CG2-CD1 4.01Å; I41-F135 HydrophobicContact CG2-CD2 4.05Å; I41-F135 HydrophobicContact CG2-CE1 3.78Å; I41-F135 HydrophobicContact CG2-CE2 3.84Å; I41-F135 HydrophobicContact CG2-CG 4.14Å; I41-F135 HydrophobicContact CG2-CZ 3.69Å
42T98.6Very high98.2Very high40 Ų4062.8 Ų62.825%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-127.4127-180-51.80000109.1I84 G117 K118T42-I84 HydrophobicContact CG2-CG2 4.23Å; T42-G117 CarbonylContact O-C 3.58Å; T42-G117 WeakPolarHBondContact O-CA 3.31Å; T42-K118 PolarHBondContact N-O 3.03Å; T42-K118 PolarHBondContact O-N 2.81Å
43V98.8Very high98.2Very high61 Ų6161.8 Ų61.837%0.3730%0.297SS..EExtended strand (participates in β ladder)trans-98.8123.5170-178.10000107.6L28 I31 Y40 E45L28-V43 HydrophobicContact CD2-CG1 4.01Å; I31-V43 HydrophobicContact CD1-CG1 4.31Å; I31-V43 HydrophobicContact CG2-CG1 4.18Å; I31-V43 HydrophobicContact CG2-CG2 3.64Å; Y40-V43 HydrophobicContact CG-CG2 4.2Å; V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 HydrophobicContact CG1-CB 4.49Å; V43-E45 PolarHBondContact O-N 3.12Å
44S97.9Very high98.2Very high10 Ų1058.6 Ų58.67%0.0728%0.284CS..  trans-9755.9-176.451.40000111.4E46 V47 A48 L115 M116 G117S44-E46 PolarHBondContact O-N 3.31Å; S44-V47 PolarHBondContact O-N 3.02Å; S44-A48 WeakPolarHBondContact O-CB 3.35Å; S44-A48 PolarHBondContact O-N 3.3Å; S44-L115 PolarHBondContact OG-O 3.15Å; S44-M116 PolarHBondContact N-O 3.27Å; S44-M116 PolarHBondContact OG-O 3.44Å; S44-G117 VanDerWaalsContact OG-CA 3.31Å; S44-G117 WeakPolarHBondContact OG-CA 3.23Å; S44-G117 PolarHBondContact OG-N 3.26Å; S44-G117 VanDerWaalsContact OG-N 3.14Å
45E98.6Very high98.3Very high66 Ų6657.4 Ų57.431%0.30828%0.277SS..Hα-helixtrans-54-48.9-172.9178.4159.4-176.600112.7L28 K32 V43 V47 A48 L49L28-E45 HydrophobicContact CD1-CG 3.94Å; L28-E45 HydrophobicContact CD2-CB 3.99Å; L28-E45 HydrophobicContact CD2-CG 4.08Å; K32-E45 WeakPolarHBondContact CE-OE2 3.27Å; K32-E45 VanDerWaalsContact NZ-CD 3.3Å; K32-E45 IonicContact NZ-OE1 3.92Å; K32-E45 PolarHBondContact NZ-OE1 3.16Å; K32-E45 IonicContact NZ-OE2 3.7Å; K32-E45 PolarHBondContact NZ-OE2 3.49Å; V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 HydrophobicContact CG1-CB 4.49Å; V43-E45 PolarHBondContact O-N 3.12Å; E45-V47 PolarHBondContact O-N 2.89Å; E45-A48 PolarHBondContact O-N 3.49Å; E45-L49 HydrophobicContact CG-CD1 3.98Å; E45-L49 WeakPolarHBondContact O-CB 3.37Å; E45-L49 VanDerWaalsContact O-CG 3.31Å; E45-L49 WeakPolarHBondContact O-CG 3.15Å; E45-L49 PolarHBondContact O-N 3.14Å
46E98.4Very high98.4Very high167 Ų16751 Ų5178%0.7825%0.249SC*.Hα-helixtrans-64.2-42.6179.9-63.1-178.6178.900112.6S44 K50S44-E46 PolarHBondContact O-N 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.48Å; E46-K50 PolarHBondContact O-N 3.14Å
47V98.5Very high98.5Very high55 Ų5550.3 Ų50.333%0.33325%0.247SC..Hα-helixtrans-64.6-47.2177.9176.60000110.3S44 E45 L49 K50 Q51 I84S44-V47 PolarHBondContact O-N 3.02Å; E45-V47 PolarHBondContact O-N 2.89Å; V47-L49 PolarHBondContact O-N 3.15Å; V47-K50 PolarHBondContact O-N 3.49Å; V47-Q51 HydrophobicContact CG1-CG 4.37Å; V47-Q51 WeakPolarHBondContact O-CB 3.49Å; V47-Q51 VanDerWaalsContact O-CG 3.26Å; V47-Q51 WeakPolarHBondContact O-CG 3.26Å; V47-Q51 PolarHBondContact O-N 2.63Å; V47-I84 HydrophobicContact CG2-CD1 4.42Å
48A98.8Very high98.6Very high0 Ų052.4 Ų52.40%025%0.254CS..Hα-helixtrans-61.9-42.4-17900000111.9C24 S44 E45 A52 L115 M116C24-A48 PolarHBondContact SG-O 2.89Å; S44-A48 WeakPolarHBondContact O-CB 3.35Å; S44-A48 PolarHBondContact O-N 3.3Å; E45-A48 PolarHBondContact O-N 3.49Å; A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.43Å; A48-A52 PolarHBondContact O-N 3.36Å; A48-L115 WeakPolarHBondContact CB-O 3.2Å; A48-M116 HydrophobicContact CB-SD 4.02Å
49L98.8Very high98.6Very high43 Ų4352 Ų5223%0.22525%0.249CC..Hα-helixtrans-67-45.1178-73.4170.9000111.6Q25 L28 E45 V47 Q51 A52 E53Q25-L49 HydrophobicContact CG-CD2 3.81Å; L28-L49 HydrophobicContact CD1-CD1 4.3Å; L28-L49 HydrophobicContact CD1-CD2 3.88Å; L28-L49 HydrophobicContact CD1-CG 3.84Å; E45-L49 HydrophobicContact CG-CD1 3.98Å; E45-L49 WeakPolarHBondContact O-CB 3.37Å; E45-L49 VanDerWaalsContact O-CG 3.31Å; E45-L49 WeakPolarHBondContact O-CG 3.15Å; E45-L49 PolarHBondContact O-N 3.14Å; V47-L49 PolarHBondContact O-N 3.15Å; L49-Q51 PolarHBondContact O-N 2.81Å; L49-A52 WeakPolarHBondContact O-CB 3.39Å; L49-A52 PolarHBondContact O-N 2.77Å; L49-A52 VanDerWaalsContact O-N 3.12Å; L49-E53 WeakPolarHBondContact O-CG 3.18Å; L49-E53 PolarHBondContact O-N 3.37Å
50K98.8Very high98.5Very high130 Ų13058.8 Ų58.857%0.56528%0.277SS*.Hα-helixtrans-60.3-46.3176.7-176.7-178.6176-174.40111.9E46 V47 A52 E53 E54E46-K50 WeakPolarHBondContact O-CB 3.48Å; E46-K50 PolarHBondContact O-N 3.14Å; V47-K50 PolarHBondContact O-N 3.49Å; K50-A52 PolarHBondContact O-N 2.82Å; K50-E53 PolarHBondContact O-N 3.12Å; K50-E54 VanDerWaalsContact CE-OE1 3.27Å; K50-E54 WeakPolarHBondContact CE-OE1 3.41Å; K50-E54 WeakPolarHBondContact O-CG 3.35Å; K50-E54 PolarHBondContact O-N 3.46Å
51Q98.8Very high98.4Very high33 Ų3362.9 Ų62.915%0.15430%0.301CS..Hα-helixtrans-61.4-36.1175.9-71.7171.5-21.200111.6V47 L49 E54 S55 L109 L114V47-Q51 HydrophobicContact CG1-CG 4.37Å; V47-Q51 WeakPolarHBondContact O-CB 3.49Å; V47-Q51 VanDerWaalsContact O-CG 3.26Å; V47-Q51 WeakPolarHBondContact O-CG 3.26Å; V47-Q51 PolarHBondContact O-N 2.63Å; L49-Q51 PolarHBondContact O-N 2.81Å; Q51-E54 PolarHBondContact O-N 3.11Å; Q51-S55 WeakPolarHBondContact O-CB 3.47Å; Q51-S55 PolarHBondContact O-N 3.46Å; Q51-L109 VanDerWaalsContact NE2-CD2 3.34Å; Q51-L114 VanDerWaalsContact C-CD2 3.4Å; Q51-L114 HydrophobicContact CB-CD2 3.53Å
52A98.9Very high98.3Very high0 Ų064.8 Ų64.80%033%0.329CS..Hα-helixtrans-67.1-42.3177.300000111.8P20 C24 A48 L49 K50 E54 S55 E56 L114P20-A52 HydrophobicContact CB-CB 4.39Å; C24-A52 HydrophobicContact CB-CB 3.75Å; A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.43Å; A48-A52 PolarHBondContact O-N 3.36Å; L49-A52 WeakPolarHBondContact O-CB 3.39Å; L49-A52 PolarHBondContact O-N 2.77Å; L49-A52 VanDerWaalsContact O-N 3.12Å; K50-A52 PolarHBondContact O-N 2.82Å; A52-E54 VanDerWaalsContact C-N 3.34Å; A52-E54 PolarHBondContact O-N 3.24Å; A52-S55 PolarHBondContact O-N 3.45Å; A52-E56 WeakPolarHBondContact O-CB 3.4Å; A52-E56 PolarHBondContact O-N 2.98Å; A52-L114 HydrophobicContact CB-CD1 3.77Å; A52-L114 HydrophobicContact CB-CD2 4.23Å
53E98.8Very high98.2Very high101 Ų10168.5 Ų68.547%0.47234%0.343SS..Hα-helixtrans-62.4-41.3174.5-70.5175.7-171.900112L49 K50 E56 K57L49-E53 WeakPolarHBondContact O-CG 3.18Å; L49-E53 PolarHBondContact O-N 3.37Å; K50-E53 PolarHBondContact O-N 3.12Å; E53-E56 PolarHBondContact O-N 2.86Å; E53-K57 WeakPolarHBondContact O-CG 3.16Å; E53-K57 PolarHBondContact O-N 2.63Å
54E98.8Very high98.1Very high79 Ų7967.7 Ų67.737%0.36934%0.34SS..Hα-helixtrans-64.7-42.5175.6-70.9171.3-179.200111.7K50 Q51 A52 K57 R58K50-E54 VanDerWaalsContact CE-OE1 3.27Å; K50-E54 WeakPolarHBondContact CE-OE1 3.41Å; K50-E54 WeakPolarHBondContact O-CG 3.35Å; K50-E54 PolarHBondContact O-N 3.46Å; Q51-E54 PolarHBondContact O-N 3.11Å; A52-E54 VanDerWaalsContact C-N 3.34Å; A52-E54 PolarHBondContact O-N 3.24Å; E54-K57 PolarHBondContact O-N 3.3Å; E54-R58 PolarHBondContact O-N 2.95Å
55S98.8Very high98Very high0 Ų071 Ų710%036%0.357CS..Hα-helixtrans-61.5-44.7172.9-176.60000111.7P20 Q51 A52 K57 R58 Y59 D69 G70P20-S55 WeakPolarHBondContact CG-OG 3.33Å; Q51-S55 WeakPolarHBondContact O-CB 3.47Å; Q51-S55 PolarHBondContact O-N 3.46Å; A52-S55 PolarHBondContact O-N 3.45Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 3.36Å; S55-R58 VanDerWaalsContact CA-NH2 3.29Å; S55-R58 WeakPolarHBondContact O-CA 3.31Å; S55-R58 WeakPolarHBondContact O-CB 3.43Å; S55-R58 PolarHBondContact O-N 3.28Å; S55-Y59 VanDerWaalsContact O-CD2 3.27Å; S55-Y59 WeakPolarHBondContact O-CD2 3.36Å; S55-Y59 PolarHBondContact O-N 3.07Å; S55-Y59 WeakPolarHBondContact OG-CE2 3.41Å; S55-D69 VanDerWaalsContact CB-OD1 3.27Å; S55-D69 WeakPolarHBondContact CB-OD1 3.29Å; S55-D69 PolarHBondContact OG-OD1 3.42Å; S55-G70 WeakPolarHBondContact OG-CA 3.37Å; S55-G70 PolarHBondContact OG-N 2.84Å; S55-G70 VanDerWaalsContact OG-N 3.14Å
56E98.5Very high97.8Very high34 Ų3469 Ų6916%0.15935%0.354CS..Hα-helixtrans-63.3-38179.1-170.1175.3136.900111.9T19 P20 T21 A52 E53 Y59 K60T19-E56 WeakPolarHBondContact CB-OE2 3.38Å; T19-E56 PolarHBondContact OG1-OE2 2.94Å; P20-E56 HydrophobicContact CG-CB 4.2Å; T21-E56 WeakPolarHBondContact CB-OE2 3.48Å; T21-E56 PolarHBondContact OG1-OE2 3.05Å; A52-E56 WeakPolarHBondContact O-CB 3.4Å; A52-E56 PolarHBondContact O-N 2.98Å; E53-E56 PolarHBondContact O-N 2.86Å; E56-Y59 PolarHBondContact O-N 2.91Å; E56-K60 HydrophobicContact CG-CD 4.49Å; E56-K60 WeakPolarHBondContact O-CG 3.35Å; E56-K60 PolarHBondContact O-N 2.58Å; E56-K60 VanDerWaalsContact OE1-CE 3.3Å; E56-K60 WeakPolarHBondContact OE1-CE 3.24Å; E56-K60 IonicContact OE1-NZ 3.89Å; E56-K60 PolarHBondContact OE1-NZ 3.08Å
57K98.6Very high97.6Very high125 Ų12564.1 Ų64.154%0.54333%0.333SS..Hα-helixtrans-60.8-43.9171.2-72.3168.9-173.4168.60111.5E53 E54 S55 K60 N61E53-K57 WeakPolarHBondContact O-CG 3.16Å; E53-K57 PolarHBondContact O-N 2.63Å; E54-K57 PolarHBondContact O-N 3.3Å; S55-K57 VanDerWaalsContact C-N 3.31Å; S55-K57 PolarHBondContact O-N 3.36Å; K57-K60 PolarHBondContact O-N 3.1Å; K57-N61 WeakPolarHBondContact O-CB 3.28Å; K57-N61 VanDerWaalsContact O-CG 3.29Å; K57-N61 PolarHBondContact O-N 3.15Å; K57-N61 VanDerWaalsContact O-N 3.08Å; K57-N61 PolarHBondContact O-ND2 3.28Å
58R98.5Very high97.6Very high49 Ų4961.7 Ų61.719%0.18532%0.318CS..Hα-helixtrans-59.7-46.4175.3-73.5-171.6-63.9-896111.8E54 S55 K60 N61 G62 Q63 D69E54-R58 PolarHBondContact O-N 2.95Å; S55-R58 VanDerWaalsContact CA-NH2 3.29Å; S55-R58 WeakPolarHBondContact O-CA 3.31Å; S55-R58 WeakPolarHBondContact O-CB 3.43Å; S55-R58 PolarHBondContact O-N 3.28Å; R58-K60 PolarHBondContact O-N 2.85Å; R58-N61 CarbonylContact O-C 3.12Å; R58-N61 PolarHBondContact O-N 3.35Å; R58-G62 PolarHBondContact O-N 3.35Å; R58-G62 VanDerWaalsContact O-N 3.12Å; R58-Q63 HydrophobicContact CB-CB 4.45Å; R58-Q63 WeakPolarHBondContact CB-O 3.29Å; R58-Q63 PolarHBondContact O-N 2.95Å; R58-D69 IonicContact CZ-OD1 3.95Å; R58-D69 IonicContact CZ-OD2 3.67Å; R58-D69 IonicContact NE-OD1 3.88Å; R58-D69 PolarHBondContact NE-OD1 2.9Å; R58-D69 IonicContact NE-OD2 2.84Å; R58-D69 PolarHBondContact NE-OD2 2.75Å; R58-D69 IonicContact NH2-OD1 3.2Å; R58-D69 PolarHBondContact NH2-OD1 3.48Å; R58-D69 IonicContact NH2-OD2 2.7Å
59Y97.8Very high97.6Very high38 Ų3861.7 Ų61.715%0.14932%0.318CS..Hα-helixtrans-60.6-45.2176.1-81.9-73.3000112.5L13 K14 P20 S55 E56 N61 G62 D69L13-Y59 HydrophobicContact CB-CE1 4.06Å; L13-Y59 HydrophobicContact CB-CE2 4.19Å; K14-Y59 HydrophobicContact CB-CE1 4.47Å; K14-Y59 HydrophobicContact CG-CE1 3.85Å; P20-Y59 HydrophobicContact CG-CD2 3.58Å; P20-Y59 HydrophobicContact CG-CE2 3.77Å; S55-Y59 VanDerWaalsContact O-CD2 3.27Å; S55-Y59 WeakPolarHBondContact O-CD2 3.36Å; S55-Y59 PolarHBondContact O-N 3.07Å; S55-Y59 WeakPolarHBondContact OG-CE2 3.41Å; E56-Y59 PolarHBondContact O-N 2.91Å; Y59-N61 PolarHBondContact O-N 3.14Å; Y59-G62 PolarHBondContact O-N 3.23Å; Y59-G62 VanDerWaalsContact O-N 3.08Å; Y59-D69 HydrophobicContact CE2-CB 4.34Å; Y59-D69 WeakPolarHBondContact CE2-O 3.49Å; Y59-D69 PolarHBondContact OH-O 3.33Å
60K96.6Very high97.6Very high149 Ų14959.6 Ų59.665%0.64831%0.307SS*.Hα-helixtrans-60-31.8177-74.8173.6-176.21660113E56 K57 R58E56-K60 HydrophobicContact CG-CD 4.49Å; E56-K60 WeakPolarHBondContact O-CG 3.35Å; E56-K60 PolarHBondContact O-N 2.58Å; E56-K60 VanDerWaalsContact OE1-CE 3.3Å; E56-K60 WeakPolarHBondContact OE1-CE 3.24Å; E56-K60 IonicContact OE1-NZ 3.89Å; E56-K60 PolarHBondContact OE1-NZ 3.08Å; K57-K60 PolarHBondContact O-N 3.1Å; R58-K60 PolarHBondContact O-N 2.85Å
61N97.1Very high97.6Very high109 Ų10953.4 Ų53.458%0.58328%0.28SS*.THydrogen-bonded Turntrans-90.5-0.2178.9-64.8-16.1000113.7K57 R58 Y59 Q63K57-N61 WeakPolarHBondContact O-CB 3.28Å; K57-N61 VanDerWaalsContact O-CG 3.29Å; K57-N61 PolarHBondContact O-N 3.15Å; K57-N61 VanDerWaalsContact O-N 3.08Å; K57-N61 PolarHBondContact O-ND2 3.28Å; R58-N61 CarbonylContact O-C 3.12Å; R58-N61 PolarHBondContact O-N 3.35Å; Y59-N61 PolarHBondContact O-N 3.14Å; N61-Q63 VanDerWaalsContact C-N 3.3Å; N61-Q63 HydrophobicContact CB-CB 4.47Å; N61-Q63 HydrophobicContact CB-CG 4.05Å; N61-Q63 PolarHBondContact O-N 3.49Å
62G95.8Very high97.6Very high72 Ų7251.9 Ų51.974%0.74227%0.273SS*.THydrogen-bonded Turntrans69.324.6-174.600000114.3R58 Y59R58-G62 PolarHBondContact O-N 3.35Å; R58-G62 VanDerWaalsContact O-N 3.12Å; Y59-G62 PolarHBondContact O-N 3.23Å; Y59-G62 VanDerWaalsContact O-N 3.08Å
63Q97Very high97.6Very high118 Ų11852.1 Ų52.155%0.55127%0.274SS*.  trans-112.934.1-173.6-64.8176.1-3900112.7R58 N61R58-Q63 HydrophobicContact CB-CB 4.45Å; R58-Q63 WeakPolarHBondContact CB-O 3.29Å; R58-Q63 PolarHBondContact O-N 2.95Å; N61-Q63 VanDerWaalsContact C-N 3.3Å; N61-Q63 HydrophobicContact CB-CB 4.47Å; N61-Q63 HydrophobicContact CB-CG 4.05Å; N61-Q63 PolarHBondContact O-N 3.49Å
64S95.8Very high97.6Very high43 Ų4347.3 Ų47.330%0.30125%0.252SS..  trans-57.8137.8177.7174.40000111.4G66 D69S64-G66 VanDerWaalsContact C-N 3.3Å; S64-G66 PolarHBondContact O-N 2.87Å; S64-G66 PolarHBondContact OG-N 3.48Å; S64-D69 WeakPolarHBondContact CA-OD2 3.41Å
65L96.6Very high97.6Very high80 Ų8043.6 Ų43.642%0.41924%0.235SC..  trans-81.3-5.4-178.3-61176.5000114.1D69L65-D69 HydrophobicContact CB-CB 4.09Å; L65-D69 PolarHBondContact N-OD2 3.39Å
66G93.3Very high97.6Very high24 Ų2443.6 Ų43.625%0.24724%0.235CC..SBendtrans132-155.3179.100000112.8S64 L68 D69S64-G66 VanDerWaalsContact C-N 3.3Å; S64-G66 PolarHBondContact O-N 2.87Å; S64-G66 PolarHBondContact OG-N 3.48Å; G66-L68 VanDerWaalsContact C-N 3.31Å; G66-L68 PolarHBondContact O-N 3.05Å; G66-D69 PolarHBondContact O-N 3.04Å
67D95.4Very high97.6Very high65 Ų6542 Ų4235%0.34823%0.227SC..THydrogen-bonded Turntrans-73.5-22.3-169.5-69.7-18.8000114S10 K14 I71 I242S10-D67 VanDerWaalsContact CB-O 3.29Å; S10-D67 WeakPolarHBondContact CB-O 3.32Å; S10-D67 VanDerWaalsContact OG-CA 3.3Å; S10-D67 WeakPolarHBondContact OG-CA 3.49Å; S10-D67 PolarHBondContact OG-O 3.06Å; K14-D67 IonicContact NZ-OD1 2.95Å; K14-D67 PolarHBondContact NZ-OD1 3.36Å; D67-I71 WeakPolarHBondContact O-CG1 3.42Å; D67-I242 HydrophobicContact CB-CG2 4.1Å
68L98.3Very high97.6Very high3 Ų336.1 Ų36.12%0.01620%0.202CC..THydrogen-bonded Turntrans-94.4-4.6178.7-64.7174.7000113.8L6 G66 G70 I71 L108 Q111 A113 I242 V243 A246L6-L68 HydrophobicContact CD1-CD2 3.7Å; L6-L68 HydrophobicContact CD2-CD2 4.09Å; L6-L68 HydrophobicContact CG-CD2 4.42Å; G66-L68 VanDerWaalsContact C-N 3.31Å; G66-L68 PolarHBondContact O-N 3.05Å; L68-G70 PolarHBondContact O-N 3.34Å; L68-G70 VanDerWaalsContact O-N 3.14Å; L68-I71 WeakPolarHBondContact O-CB 3.28Å; L68-I71 PolarHBondContact O-N 3.45Å; L68-L108 HydrophobicContact CD1-CD2 3.77Å; L68-Q111 CarbonylContact C-O 3.59Å; L68-Q111 HydrophobicContact CB-CB 3.92Å; L68-Q111 HydrophobicContact CD1-CB 4.13Å; L68-Q111 HydrophobicContact CD1-CG 4.39Å; L68-A113 HydrophobicContact CB-CB 4.44Å; L68-A113 WeakPolarHBondContact O-CA 2.95Å; L68-A113 PolarHBondContact O-N 2.84Å; L68-I242 HydrophobicContact CD2-CG2 4.07Å; L68-I242 HydrophobicContact CG-CG2 4.25Å; L68-V243 HydrophobicContact CD2-CG2 4.36Å; L68-A246 HydrophobicContact CD1-CB 3.52Å
69D98.8Very high97.7Very high0 Ų033.8 Ų33.80%019%0.193CC..THydrogen-bonded Turntrans-66.6116.3-176.7-167-3.3000110.5S55 R58 Y59 S64 L65 G66 Q111S55-D69 VanDerWaalsContact CB-OD1 3.27Å; S55-D69 WeakPolarHBondContact CB-OD1 3.29Å; S55-D69 PolarHBondContact OG-OD1 3.42Å; R58-D69 IonicContact CZ-OD1 3.95Å; R58-D69 IonicContact CZ-OD2 3.67Å; R58-D69 IonicContact NE-OD1 3.88Å; R58-D69 PolarHBondContact NE-OD1 2.9Å; R58-D69 IonicContact NE-OD2 2.84Å; R58-D69 PolarHBondContact NE-OD2 2.75Å; R58-D69 IonicContact NH2-OD1 3.2Å; R58-D69 PolarHBondContact NH2-OD1 3.48Å; R58-D69 IonicContact NH2-OD2 2.7Å; Y59-D69 HydrophobicContact CE2-CB 4.34Å; Y59-D69 WeakPolarHBondContact CE2-O 3.49Å; Y59-D69 PolarHBondContact OH-O 3.33Å; S64-D69 WeakPolarHBondContact CA-OD2 3.41Å; L65-D69 HydrophobicContact CB-CB 4.09Å; L65-D69 PolarHBondContact N-OD2 3.39Å; G66-D69 PolarHBondContact O-N 3.04Å; D69-Q111 VanDerWaalsContact CA-O 3.27Å; D69-Q111 WeakPolarHBondContact CA-O 3.45Å; D69-Q111 PolarHBondContact N-O 3.21Å; D69-Q111 VanDerWaalsContact N-O 3.16Å
70G98.7Very high97.7Very high0 Ų032 Ų320%019%0.186CC..THydrogen-bonded Turntrans83.68.6-177.800000114.6S55 L68 P72 G112 L114S55-G70 WeakPolarHBondContact OG-CA 3.37Å; S55-G70 PolarHBondContact OG-N 2.84Å; S55-G70 VanDerWaalsContact OG-N 3.14Å; L68-G70 PolarHBondContact O-N 3.34Å; L68-G70 VanDerWaalsContact O-N 3.14Å; G70-P72 WeakPolarHBondContact O-CD 3.35Å; G70-G112 PolarHBondContact N-O 2.8Å; G70-L114 VanDerWaalsContact O-CD1 3.3Å; G70-L114 WeakPolarHBondContact O-CD1 3.48Å
71I98.8Very high97.8Very high0 Ų024.9 Ų24.90%016%0.155CC..  trans-87.4123.7179.5-60.3-61.6000111.4L6 V9 L13 D67 L68 I73 L114 Y185L6-I71 HydrophobicContact CD1-CG2 3.87Å; L6-I71 HydrophobicContact CD2-CG1 4.48Å; L6-I71 HydrophobicContact CG-CD1 4.44Å; L6-I71 HydrophobicContact CG-CG1 4.31Å; L6-I71 HydrophobicContact CG-CG2 3.92Å; V9-I71 HydrophobicContact CB-CD1 4.46Å; V9-I71 HydrophobicContact CG1-CD1 3.96Å; L13-I71 HydrophobicContact CD1-CD1 3.73Å; D67-I71 WeakPolarHBondContact O-CG1 3.42Å; L68-I71 WeakPolarHBondContact O-CB 3.28Å; L68-I71 PolarHBondContact O-N 3.45Å; I71-I73 HydrophobicContact CG2-CG2 4.44Å; I71-I73 PolarHBondContact O-N 2.87Å; I71-L114 PolarHBondContact O-N 3.46Å; I71-Y185 HydrophobicContact CG2-CD2 4.18Å; I71-Y185 HydrophobicContact CG2-CG 4.16Å
72P98.9Very high97.9Very high0 Ų022.5 Ų22.50%015%0.147CC..EExtended strand (participates in β ladder)trans-60.7121.6170.4-29.739.1000114L23 C27 G70 L114 M116 C184 Y185L23-P72 HydrophobicContact CD2-CG 4.16Å; L23-P72 HydrophobicContact CG-CG 4.03Å; C27-P72 HydrophobicContact CB-CB 4.34Å; C27-P72 HydrophobicContact CB-CG 4.33Å; G70-P72 WeakPolarHBondContact O-CD 3.35Å; P72-L114 HydrophobicContact CG-CD1 4.36Å; P72-M116 HydrophobicContact CB-CG 3.73Å; P72-M116 HydrophobicContact CB-SD 3.66Å; P72-M116 HydrophobicContact CG-SD 4.28Å; P72-C184 WeakPolarHBondContact O-CB 3.4Å; P72-Y185 HydrophobicContact CB-CD2 4.25Å; P72-Y185 HydrophobicContact CG-CD2 4.31Å; P72-Y185 HydrophobicContact CG-CE2 4.33Å; P72-Y185 PolarHBondContact O-N 2.87Å
73I98.9Very high98Very high5 Ų521.9 Ų21.93%0.02614%0.14CC..EExtended strand (participates in β ladder)trans-128.4152.2175.260.8162.1000111.8I71 L108 A113 L114 M116 A186I71-I73 HydrophobicContact CG2-CG2 4.44Å; I71-I73 PolarHBondContact O-N 2.87Å; I73-L108 HydrophobicContact CD1-CB 3.59Å; I73-L108 HydrophobicContact CD1-CD1 3.54Å; I73-L108 HydrophobicContact CD1-CG 4.08Å; I73-A113 HydrophobicContact CD1-CB 3.59Å; I73-A113 HydrophobicContact CG1-CB 3.87Å; I73-A113 HydrophobicContact CG2-CB 4.26Å; I73-L114 VanDerWaalsContact CG1-O 3.28Å; I73-L114 WeakPolarHBondContact CG1-O 3.43Å; I73-L114 PolarHBondContact N-O 3.14Å; I73-M116 WeakPolarHBondContact O-CB 3.42Å; I73-M116 WeakPolarHBondContact O-CG 3.31Å; I73-M116 PolarHBondContact O-N 3.01Å; I73-A186 VanDerWaalsContact CA-O 3.27Å; I73-A186 WeakPolarHBondContact CA-O 3.28Å; I73-A186 HydrophobicContact CG2-CB 4.28Å
74A98.9Very high98Very high1 Ų117.4 Ų17.41%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-117.6154.5173.900000111.3Y40 T119 A178 C184 A186 A187 L188Y40-A74 HydrophobicContact CE1-CB 3.81Å; A74-T119 HydrophobicContact CB-CG2 3.49Å; A74-T119 VanDerWaalsContact CB-CG2 3.49Å; A74-A178 HydrophobicContact CB-CB 4.45Å; A74-C184 HydrophobicContact CB-CB 4.3Å; A74-A186 PolarHBondContact N-O 2.83Å; A74-A187 HydrophobicContact CB-CB 4.09Å; A74-A187 CarbonylContact O-C 3.4Å; A74-A187 WeakPolarHBondContact O-CA 3.31Å; A74-L188 PolarHBondContact O-N 2.54Å
75V98.9Very high98.2Very high1 Ų118.6 Ų18.61%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-129.1126.6-175174.50000109.7F79 T81 V105 L115 G117 K118 T119 L188V75-F79 HydrophobicContact CG1-CB 3.62Å; V75-F79 HydrophobicContact CG1-CD2 4.01Å; V75-F79 HydrophobicContact CG1-CG 4.11Å; V75-T81 HydrophobicContact CG1-CG2 4.38Å; V75-V105 HydrophobicContact CG1-CG2 3.76Å; V75-V105 HydrophobicContact CG2-CG2 4.24Å; V75-L115 HydrophobicContact CB-CD1 4Å; V75-L115 HydrophobicContact CG2-CD1 3.53Å; V75-G117 PolarHBondContact N-O 2.93Å; V75-G117 VanDerWaalsContact N-O 3.08Å; V75-K118 CarbonylContact O-C 3.46Å; V75-K118 WeakPolarHBondContact O-CA 3.27Å; V75-T119 PolarHBondContact O-N 3.44Å; V75-L188 HydrophobicContact CG1-CD1 4.33Å; V75-L188 HydrophobicContact CG2-CD1 4.12Å; V75-L188 HydrophobicContact CG2-CG 4.49Å
76K98.9Very high98.3Very high0 Ų014.8 Ų14.80%010%0.101CC..EExtended strand (participates in β ladder)trans-56.3140.5174.2-171.9178.4177.4179.10112.1N78 F79 T119 L121 S171 S172 L188 S190K76-N78 VanDerWaalsContact CD-OD1 3.25Å; K76-N78 WeakPolarHBondContact CD-OD1 3.4Å; K76-N78 WeakPolarHBondContact CG-OD1 3.4Å; K76-N78 PolarHBondContact O-N 3.39Å; K76-F79 HydrophobicContact CB-CD2 3.99Å; K76-F79 HydrophobicContact CB-CE2 4.06Å; K76-F79 WeakPolarHBondContact O-CD2 3.5Å; K76-F79 PolarHBondContact O-N 2.87Å; K76-T119 VanDerWaalsContact CA-OG1 3.25Å; K76-T119 WeakPolarHBondContact CA-OG1 3.25Å; K76-L121 HydrophobicContact CD-CB 4.42Å; K76-L121 HydrophobicContact CD-CD1 4.39Å; K76-L121 HydrophobicContact CG-CB 4.17Å; K76-L121 HydrophobicContact CG-CD1 4.07Å; K76-S171 VanDerWaalsContact CE-O 3.24Å; K76-S171 WeakPolarHBondContact CE-O 3.37Å; K76-S171 PolarHBondContact NZ-O 2.82Å; K76-S171 PolarHBondContact NZ-OG 2.92Å; K76-S172 WeakPolarHBondContact CD-OG 3.49Å; K76-S172 PolarHBondContact NZ-OG 3.23Å; K76-L188 VanDerWaalsContact CB-O 3.25Å; K76-L188 WeakPolarHBondContact CB-O 3.4Å; K76-L188 PolarHBondContact N-O 3.06Å; K76-S190 PolarHBondContact NZ-OG 2.56Å
77D98.9Very high98.5Very high0 Ų013.7 Ų13.70%09%0.089CC..THydrogen-bonded Turntrans-72.99.3-172.4-164.348.3000115.5I41 T86 T87 C88 K118 T119 L121I41-D77 HydrophobicContact CD1-CB 3.85Å; D77-T86 WeakPolarHBondContact O-CG2 3.28Å; D77-T87 WeakPolarHBondContact OD2-CA 3.31Å; D77-T87 WeakPolarHBondContact OD2-CB 3.38Å; D77-T87 PolarHBondContact OD2-N 3.31Å; D77-T87 PolarHBondContact OD2-OG1 2.91Å; D77-C88 PolarHBondContact O-N 2.96Å; D77-C88 VanDerWaalsContact O-N 3.17Å; D77-C88 PolarHBondContact OD2-N 3.35Å; D77-K118 HydrophobicContact CB-CB 3.96Å; D77-K118 VanDerWaalsContact OD1-CB 3.26Å; D77-K118 WeakPolarHBondContact OD1-CB 3.41Å; D77-K118 WeakPolarHBondContact OD1-CE 3.38Å; D77-K118 IonicContact OD1-NZ 3.22Å; D77-K118 PolarHBondContact OD1-NZ 3.16Å; D77-T119 WeakPolarHBondContact CB-O 3.41Å; D77-T119 PolarHBondContact N-O 3.37Å; D77-T119 VanDerWaalsContact N-O 3.08Å; D77-L121 HydrophobicContact CB-CD2 3.67Å
78N98.8Very high98.7Very high2 Ų210.7 Ų10.71%0.0117%0.073CC..THydrogen-bonded Turntrans-98.75.2166.867.4-18.6000113.5K76 L121 S190 L220 I221K76-N78 VanDerWaalsContact CD-OD1 3.25Å; K76-N78 WeakPolarHBondContact CD-OD1 3.4Å; K76-N78 WeakPolarHBondContact CG-OD1 3.4Å; K76-N78 PolarHBondContact O-N 3.39Å; N78-L121 HydrophobicContact CB-CD1 3.94Å; N78-S190 PolarHBondContact ND2-OG 3.3Å; N78-L220 HydrophobicContact CB-CD1 4.39Å; N78-L220 WeakPolarHBondContact ND2-CD1 3.48Å; N78-I221 PolarHBondContact O-N 3.45Å
79F98.9Very high98.7Very high0 Ų010.5 Ų10.50%07%0.072CC..BIsolated β-bridgetrans-96.4129.9166.4-65.7-84.1000110.2V75 K76 T81 A102 V104 V105 K118 L188 G189 L220 P230V75-F79 HydrophobicContact CG1-CB 3.62Å; V75-F79 HydrophobicContact CG1-CD2 4.01Å; V75-F79 HydrophobicContact CG1-CG 4.11Å; K76-F79 HydrophobicContact CB-CD2 3.99Å; K76-F79 HydrophobicContact CB-CE2 4.06Å; K76-F79 WeakPolarHBondContact O-CD2 3.5Å; K76-F79 PolarHBondContact O-N 2.87Å; F79-T81 PolarHBondContact O-N 2.86Å; F79-A102 HydrophobicContact CB-CB 4.24Å; F79-A102 HydrophobicContact CD1-CB 4.14Å; F79-V104 HydrophobicContact CD1-CG2 3.57Å; F79-V104 HydrophobicContact CE1-CG2 3.58Å; F79-V104 HydrophobicContact CG-CG2 4.48Å; F79-V104 HydrophobicContact CZ-CG2 4.5Å; F79-V105 HydrophobicContact CB-CG2 4.08Å; F79-K118 WeakPolarHBondContact O-CE 3.3Å; F79-K118 PolarHBondContact O-NZ 3.04Å; F79-K118 VanDerWaalsContact O-NZ 3.11Å; F79-L188 HydrophobicContact CD2-CB 4.35Å; F79-L188 HydrophobicContact CE2-CB 4.05Å; F79-G189 VanDerWaalsContact CE2-O 3.31Å; F79-G189 WeakPolarHBondContact CE2-O 3.11Å; F79-G189 WeakPolarHBondContact CZ-O 3.29Å; F79-L220 HydrophobicContact CD1-CB 3.97Å; F79-L220 HydrophobicContact CD1-CD1 4.03Å; F79-L220 HydrophobicContact CE1-CB 3.82Å; F79-L220 HydrophobicContact CE1-CD1 3.74Å; F79-L220 HydrophobicContact CE1-CD2 4.16Å; F79-L220 HydrophobicContact CE1-CG 4.11Å; F79-L220 HydrophobicContact CE2-CD1 4.27Å; F79-L220 HydrophobicContact CG-CD1 4.44Å; F79-L220 HydrophobicContact CZ-CD1 3.86Å; F79-L220 HydrophobicContact CZ-CD2 4.4Å; F79-P230 HydrophobicContact CE1-CB 4.03Å; F79-P230 HydrophobicContact CE1-CG 4.18Å; F79-P230 HydrophobicContact CZ-CB 3.98Å
80S98.9Very high98.7Very high0 Ų010.8 Ų10.80%07%0.074CC..  trans-62.2129.7174-62.80000110.4A102 G219S80-A102 PolarHBondContact O-N 3.14Å; S80-G219 WeakPolarHBondContact CB-O 3.37Å; S80-G219 PolarHBondContact N-O 2.93Å; S80-G219 PolarHBondContact OG-O 3.06Å; S80-G219 VanDerWaalsContact OG-O 3.06Å
81T98.6Very high98.6Very high0 Ų015.9 Ų15.90%010%0.102CC..BIsolated β-bridgetrans-129.4116178.543.80000108.9V75 F79 G83 I84 T86 V105 L115 K118V75-T81 HydrophobicContact CG1-CG2 4.38Å; F79-T81 PolarHBondContact O-N 2.86Å; T81-G83 PolarHBondContact O-N 3.39Å; T81-I84 PolarHBondContact O-N 3.41Å; T81-I84 VanDerWaalsContact O-N 3.07Å; T81-I84 PolarHBondContact OG1-O 2.87Å; T81-I84 VanDerWaalsContact OG1-O 3.14Å; T81-T86 PolarHBondContact OG1-OG1 3.12Å; T81-V105 HydrophobicContact CG2-CG1 4.12Å; T81-V105 HydrophobicContact CG2-CG2 4.24Å; T81-L115 HydrophobicContact CG2-CD2 4.42Å; T81-K118 HydrophobicContact CG2-CD 3.7Å; T81-K118 WeakPolarHBondContact OG1-CD 3.36Å; T81-K118 WeakPolarHBondContact OG1-CE 3.38Å; T81-K118 PolarHBondContact OG1-NZ 3.11Å
82S98.4Very high98.6Very high59 Ų5923 Ų2341%0.41314%0.137SC..THydrogen-bonded Turntrans-57.5123.6-174.8-172.30000111.1I84 P98 Y100 N101S82-I84 PolarHBondContact O-N 3.22Å; S82-P98 WeakPolarHBondContact CA-O 3.29Å; S82-Y100 PolarHBondContact N-O 3.35Å; S82-N101 WeakPolarHBondContact CB-OD1 3.31Å; S82-N101 PolarHBondContact N-OD1 3.36Å
83G97.6Very high98.6Very high58 Ų5824.8 Ų24.860%0.59815%0.146SC*.THydrogen-bonded Turntrans73.84.2178.300000115.5T81 P98T81-G83 PolarHBondContact O-N 3.39Å; G83-P98 PolarHBondContact N-O 3.2Å; G83-P98 VanDerWaalsContact N-O 3.11Å
84I98.3Very high98.5Very high24 Ų2432 Ų3212%0.12318%0.177CC..BIsolated β-bridgetrans-121.6127.2174.6-60.1172.3000108.4T42 V47 T81 S82 T86 P98 L115 K118T42-I84 HydrophobicContact CG2-CG2 4.23Å; V47-I84 HydrophobicContact CG2-CD1 4.42Å; T81-I84 PolarHBondContact O-N 3.41Å; T81-I84 VanDerWaalsContact O-N 3.07Å; T81-I84 PolarHBondContact OG1-O 2.87Å; T81-I84 VanDerWaalsContact OG1-O 3.14Å; S82-I84 PolarHBondContact O-N 3.22Å; I84-T86 PolarHBondContact O-N 3.37Å; I84-T86 PolarHBondContact O-OG1 3.25Å; I84-P98 VanDerWaalsContact O-CD 3.29Å; I84-P98 WeakPolarHBondContact O-CD 3.22Å; I84-L115 HydrophobicContact CD1-CD2 3.56Å; I84-K118 HydrophobicContact CG2-CD 4.07Å; I84-K118 HydrophobicContact CG2-CG 3.74Å
85E98.6Very high98.5Very high68 Ų6834.5 Ų34.532%0.31820%0.203SC..  trans-49.9137.7179.8-166.9179.3-171.700111.7T87 G95 Y96 K118E85-T87 HydrophobicContact CG-CG2 3.85Å; E85-G95 WeakPolarHBondContact OE1-CA 3.48Å; E85-G95 PolarHBondContact OE1-N 3.21Å; E85-Y96 WeakPolarHBondContact CA-O 3.36Å; E85-K118 PolarHBondContact O-NZ 2.96Å
86T98.8Very high98.4Very high0 Ų038.1 Ų38.10%022%0.217CC..  trans-130112.1180-60.90000108.1D77 T81 I84 Y96 P98 K118 I221D77-T86 WeakPolarHBondContact O-CG2 3.28Å; T81-T86 PolarHBondContact OG1-OG1 3.12Å; I84-T86 PolarHBondContact O-N 3.37Å; I84-T86 PolarHBondContact O-OG1 3.25Å; T86-Y96 PolarHBondContact N-O 3.44Å; T86-Y96 WeakPolarHBondContact O-CD1 3.45Å; T86-P98 WeakPolarHBondContact OG1-CG 3.48Å; T86-K118 PolarHBondContact OG1-NZ 3.47Å; T86-I221 HydrophobicContact CG2-CD1 3.65Å
87T98.8Very high98.4Very high2 Ų243.1 Ų43.11%0.01224%0.243CC..  trans-111.6-15.6-167.572.30000113.7D77 E85 A89 S90 F135D77-T87 WeakPolarHBondContact OD2-CA 3.31Å; D77-T87 WeakPolarHBondContact OD2-CB 3.38Å; D77-T87 PolarHBondContact OD2-N 3.31Å; D77-T87 PolarHBondContact OD2-OG1 2.91Å; E85-T87 HydrophobicContact CG-CG2 3.85Å; T87-A89 PolarHBondContact O-N 3.33Å; T87-A89 PolarHBondContact OG1-N 3.45Å; T87-S90 WeakPolarHBondContact O-CB 3.49Å; T87-S90 PolarHBondContact O-N 3.07Å; T87-F135 HydrophobicContact CG2-CE2 4.35Å; T87-F135 HydrophobicContact CG2-CZ 4.15Å; T87-F135 VanDerWaalsContact OG1-CE2 3.27Å; T87-F135 WeakPolarHBondContact OG1-CE2 3.26Å
88C98.6Very high98.4Very high1 Ų143.2 Ų43.21%0.00724%0.243CC..THydrogen-bonded Turntrans52.529.3-166.7-64.40000113.5D77 S90 L93 E123 F124 I221D77-C88 PolarHBondContact O-N 2.96Å; D77-C88 VanDerWaalsContact O-N 3.17Å; D77-C88 PolarHBondContact OD2-N 3.35Å; C88-S90 PolarHBondContact O-N 2.92Å; C88-L93 HydrophobicContact CB-CD1 4.12Å; C88-E123 WeakPolarHBondContact O-CA 3.17Å; C88-F124 HydrophobicContact CB-CD1 3.75Å; C88-F124 HydrophobicContact CB-CE1 3.94Å; C88-F124 HydrophobicContact CB-CG 4.22Å; C88-F124 PolarHBondContact O-N 3.04Å; C88-I221 WeakPolarHBondContact SG-CD1 3.42Å
89A98.4Very high98.3Very high0 Ų048.2 Ų48.20%028%0.276CS..THydrogen-bonded Turntrans52.732.8-169.100000114.1I41 T87 L121 V134 F135I41-A89 HydrophobicContact CD1-CB 3.96Å; T87-A89 PolarHBondContact O-N 3.33Å; T87-A89 PolarHBondContact OG1-N 3.45Å; A89-L121 HydrophobicContact CB-CD2 3.52Å; A89-L121 HydrophobicContact CB-CG 3.81Å; A89-L121 WeakPolarHBondContact CB-O 3.25Å; A89-V134 WeakPolarHBondContact O-CG1 3.46Å; A89-V134 VanDerWaalsContact O-CG2 3.31Å; A89-V134 WeakPolarHBondContact O-CG2 3.38Å; A89-V134 PolarHBondContact O-N 3.14Å; A89-F135 HydrophobicContact CB-CD2 4.14Å
90S98.5Very high98.3Very high5 Ų552.6 Ų52.64%0.03529%0.293CS..SBendtrans-123.5143.3-179.7-172.70000112T87 C88 M92 L93 E123 F124T87-S90 WeakPolarHBondContact O-CB 3.49Å; T87-S90 PolarHBondContact O-N 3.07Å; C88-S90 PolarHBondContact O-N 2.92Å; S90-M92 PolarHBondContact O-N 2.69Å; S90-M92 VanDerWaalsContact OG-CB 3.31Å; S90-M92 WeakPolarHBondContact OG-CB 3.46Å; S90-M92 PolarHBondContact OG-N 3.14Å; S90-L93 PolarHBondContact O-N 3Å; S90-E123 VanDerWaalsContact CA-OE1 3.29Å; S90-E123 WeakPolarHBondContact CA-OE1 3.29Å; S90-E123 WeakPolarHBondContact CB-OE1 3.32Å; S90-E123 PolarHBondContact OG-OE1 3.27Å; S90-F124 VanDerWaalsContact CB-CE2 3.4Å; S90-F124 VanDerWaalsContact OG-CE2 3.28Å; S90-F124 WeakPolarHBondContact OG-CE2 3.27Å
91N98Very high98.3Very high108 Ų10853.9 Ų53.958%0.57830%0.3SS*.G310 helixtrans-65.8-20.4167.7-78.5-48.4000112.4L93 K94N91-L93 VanDerWaalsContact C-N 3.27Å; N91-L93 PolarHBondContact O-N 2.87Å; N91-K94 WeakPolarHBondContact O-CB 3.31Å; N91-K94 PolarHBondContact O-N 3.42Å
92M98.3Very high98.3Very high149 Ų14953.9 Ų53.973%0.73430%0.3SS*.G310 helixtrans-60.6-36.5178.7-178.959.571.400112.5S90 F124S90-M92 PolarHBondContact O-N 2.69Å; S90-M92 VanDerWaalsContact OG-CB 3.31Å; S90-M92 WeakPolarHBondContact OG-CB 3.46Å; S90-M92 PolarHBondContact OG-N 3.14Å; M92-F124 HydrophobicContact CB-CE2 3.98Å; M92-F124 HydrophobicContact CB-CZ 4.02Å; M92-F124 HydrophobicContact CG-CE2 4.41Å; M92-F124 HydrophobicContact CG-CZ 4.13Å
93L98.3Very high98.4Very high38 Ų3851.2 Ų51.220%0.19928%0.281CS..G310 helixtrans-104.715.7-179.1-66.4178.2000112.6C88 S90 N91 G95 Y96 F124 I221C88-L93 HydrophobicContact CB-CD1 4.12Å; S90-L93 PolarHBondContact O-N 3Å; N91-L93 VanDerWaalsContact C-N 3.27Å; N91-L93 PolarHBondContact O-N 2.87Å; L93-G95 PolarHBondContact O-N 3.36Å; L93-Y96 HydrophobicContact CD2-CD1 4.31Å; L93-Y96 HydrophobicContact CD2-CG 4.42Å; L93-Y96 VanDerWaalsContact O-CB 3.22Å; L93-Y96 WeakPolarHBondContact O-CB 3.38Å; L93-Y96 PolarHBondContact O-N 2.99Å; L93-F124 HydrophobicContact CD1-CE1 3.77Å; L93-F124 HydrophobicContact CD1-CZ 4.02Å; L93-F124 HydrophobicContact CG-CE1 4.3Å; L93-F124 HydrophobicContact CG-CZ 4.05Å; L93-I221 HydrophobicContact CD1-CD1 3.84Å
94K97.6Very high98.4Very high157 Ų15748.6 Ų48.668%0.68325%0.253SS*.THydrogen-bonded Turntrans-59.5127.3172.9-174.7177.9-179.7177.50109.8N91 Y96N91-K94 WeakPolarHBondContact O-CB 3.31Å; N91-K94 PolarHBondContact O-N 3.42Å; K94-Y96 VanDerWaalsContact C-N 3.33Å
95G97.6Very high98.4Very high53 Ų5347.5 Ų47.555%0.54625%0.248SC..THydrogen-bonded Turntrans83.3-0.6-175.200000114.7E85 L93 I97E85-G95 WeakPolarHBondContact OE1-CA 3.48Å; E85-G95 PolarHBondContact OE1-N 3.21Å; L93-G95 PolarHBondContact O-N 3.36Å; G95-I97 PolarHBondContact O-N 3.5Å
96Y98.4Very high98.4Very high76 Ų7647.3 Ų47.330%0.29825%0.247SC..  trans-74.3109.9176.2176-125.4000110.6E85 T86 L93 K94 P98 I221E85-Y96 WeakPolarHBondContact CA-O 3.36Å; T86-Y96 PolarHBondContact N-O 3.44Å; T86-Y96 WeakPolarHBondContact O-CD1 3.45Å; L93-Y96 HydrophobicContact CD2-CD1 4.31Å; L93-Y96 HydrophobicContact CD2-CG 4.42Å; L93-Y96 VanDerWaalsContact O-CB 3.22Å; L93-Y96 WeakPolarHBondContact O-CB 3.38Å; L93-Y96 PolarHBondContact O-N 2.99Å; K94-Y96 VanDerWaalsContact C-N 3.33Å; Y96-P98 HydrophobicContact CD1-CG 4.2Å; Y96-P98 HydrophobicContact CE1-CB 4.32Å; Y96-P98 HydrophobicContact CE1-CG 3.64Å; Y96-P98 WeakPolarHBondContact O-CD 3.35Å; Y96-I221 HydrophobicContact CE1-CD1 4.38Å
97I98.6Very high98.4Very high106 Ų10649.4 Ų49.454%0.54426%0.256SS..  trans-107.3104.3174.1-58173.3000107.6G95G95-I97 PolarHBondContact O-N 3.5Å
98P98.3Very high98.4Very high1 Ų149.5 Ų49.51%0.00626%0.257CS..  trans-60.4140.3179.5-20.430.5000111.7S82 G83 I84 T86 Y96 Y100S82-P98 WeakPolarHBondContact CA-O 3.29Å; G83-P98 PolarHBondContact N-O 3.2Å; G83-P98 VanDerWaalsContact N-O 3.11Å; I84-P98 VanDerWaalsContact O-CD 3.29Å; I84-P98 WeakPolarHBondContact O-CD 3.22Å; T86-P98 WeakPolarHBondContact OG1-CG 3.48Å; Y96-P98 HydrophobicContact CD1-CG 4.2Å; Y96-P98 HydrophobicContact CE1-CB 4.32Å; Y96-P98 HydrophobicContact CE1-CG 3.64Å; Y96-P98 WeakPolarHBondContact O-CD 3.35Å; P98-Y100 VanDerWaalsContact C-N 3.25Å; P98-Y100 PolarHBondContact O-N 3.5Å
99P97.9Very high98.4Very high108 Ų10851.2 Ų51.270%0.70127%0.266SS*.SBendtrans-85.75.1174.532.4-31000113.1
100Y98.4Very high98.5Very high92 Ų9255.6 Ų55.636%0.36129%0.289SS..SBendtrans-148.6157.7-178.167-84.5000111.5S82 P98 H218S82-Y100 PolarHBondContact N-O 3.35Å; P98-Y100 VanDerWaalsContact C-N 3.25Å; P98-Y100 PolarHBondContact O-N 3.5Å; Y100-H218 AromaticContact CD2-NE2 3.98Å; Y100-H218 AromaticContact CE2-NE2 3.84Å
101N98.8Very high98.4Very high26 Ų2658.7 Ų58.714%0.13930%0.303CS..  trans-86.1139.9169.9-72.2-39.8000110.5S82 V105 Q106S82-N101 WeakPolarHBondContact CB-OD1 3.31Å; S82-N101 PolarHBondContact N-OD1 3.36Å; N101-V105 HydrophobicContact CB-CB 4.37Å; N101-V105 HydrophobicContact CB-CG1 4.31Å; N101-Q106 HydrophobicContact CB-CB 4.04Å; N101-Q106 PolarHBondContact ND2-OE1 3.41Å
102A98.9Very high98.5Very high0 Ų053.8 Ų53.80%028%0.278CS..  trans-54.1146.4160.700000109.9F79 S80 V104 V105 Q106 H218F79-A102 HydrophobicContact CB-CB 4.24Å; F79-A102 HydrophobicContact CD1-CB 4.14Å; S80-A102 PolarHBondContact O-N 3.14Å; A102-V104 HydrophobicContact CB-CG2 4.29Å; A102-V104 PolarHBondContact O-N 3.36Å; A102-V105 HydrophobicContact CB-CB 4.47Å; A102-V105 HydrophobicContact CB-CG2 4.1Å; A102-V105 WeakPolarHBondContact O-CB 3.45Å; A102-V105 PolarHBondContact O-N 3.03Å; A102-Q106 PolarHBondContact O-N 2.79Å; A102-H218 CarbonylContact C-O 3.54Å; A102-H218 VanDerWaalsContact CA-O 3.27Å; A102-H218 WeakPolarHBondContact CA-O 3.19Å; A102-H218 WeakPolarHBondContact CB-O 3.39Å
103T98.9Very high98.5Very high4 Ų446.8 Ų46.83%0.02524%0.243CC..Hα-helixtrans-57.2-41.5-174.1-66.50000111.9V105 Q106 K107 H218 D251 R253T103-V105 VanDerWaalsContact C-N 3.32Å; T103-V105 PolarHBondContact O-N 3.49Å; T103-Q106 PolarHBondContact O-N 3.34Å; T103-K107 HydrophobicContact CG2-CD 4.25Å; T103-K107 HydrophobicContact CG2-CG 4.34Å; T103-K107 WeakPolarHBondContact O-CB 3.32Å; T103-K107 WeakPolarHBondContact O-CG 3.47Å; T103-K107 PolarHBondContact O-N 2.77Å; T103-H218 PolarHBondContact N-O 2.82Å; T103-D251 VanDerWaalsContact CB-OD2 3.24Å; T103-D251 WeakPolarHBondContact CB-OD2 3.36Å; T103-D251 HydrophobicContact CG2-CB 4.22Å; T103-D251 VanDerWaalsContact CG2-OD2 3.3Å; T103-D251 WeakPolarHBondContact CG2-OD2 3.43Å; T103-D251 PolarHBondContact OG1-OD2 3.5Å; T103-R253 VanDerWaalsContact OG1-CZ 3.27Å; T103-R253 PolarHBondContact OG1-NH2 2.94Å
104V98.8Very high98.5Very high2 Ų245 Ų451%0.01223%0.234CC..Hα-helixtrans-63.7-36.2177.4-66.60000113.2F79 A102 L108 L188 V215 P230 L247F79-V104 HydrophobicContact CD1-CG2 3.57Å; F79-V104 HydrophobicContact CE1-CG2 3.58Å; F79-V104 HydrophobicContact CG-CG2 4.48Å; F79-V104 HydrophobicContact CZ-CG2 4.5Å; A102-V104 HydrophobicContact CB-CG2 4.29Å; A102-V104 PolarHBondContact O-N 3.36Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 3.3Å; V104-L188 HydrophobicContact CB-CD1 4Å; V104-L188 HydrophobicContact CG2-CD1 3.67Å; V104-V215 HydrophobicContact CG1-CG1 3.25Å; V104-P230 HydrophobicContact CG1-CB 4.1Å; V104-P230 HydrophobicContact CG1-CG 4.17Å; V104-L247 HydrophobicContact CB-CD2 3.79Å; V104-L247 HydrophobicContact CG1-CD2 4.14Å; V104-L247 VanDerWaalsContact O-CD2 3.28Å; V104-L247 WeakPolarHBondContact O-CD2 3.05Å
105V98.9Very high98.6Very high2 Ų237.8 Ų37.81%0.01220%0.203CC..Hα-helixtrans-67.9-48.9175.5175.30000109.2V75 F79 T81 N101 A102 T103 K107 L108 L109 L188V75-V105 HydrophobicContact CG1-CG2 3.76Å; V75-V105 HydrophobicContact CG2-CG2 4.24Å; F79-V105 HydrophobicContact CB-CG2 4.08Å; T81-V105 HydrophobicContact CG2-CG1 4.12Å; T81-V105 HydrophobicContact CG2-CG2 4.24Å; N101-V105 HydrophobicContact CB-CB 4.37Å; N101-V105 HydrophobicContact CB-CG1 4.31Å; A102-V105 HydrophobicContact CB-CB 4.47Å; A102-V105 HydrophobicContact CB-CG2 4.1Å; A102-V105 WeakPolarHBondContact O-CB 3.45Å; A102-V105 PolarHBondContact O-N 3.03Å; T103-V105 VanDerWaalsContact C-N 3.32Å; T103-V105 PolarHBondContact O-N 3.49Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.25Å; V105-L108 PolarHBondContact O-N 3.44Å; V105-L108 VanDerWaalsContact O-N 3.15Å; V105-L109 HydrophobicContact CG1-CD1 4.02Å; V105-L109 HydrophobicContact CG1-CG 4.32Å; V105-L109 WeakPolarHBondContact O-CG 3.44Å; V105-L109 PolarHBondContact O-N 3.26Å; V105-L188 HydrophobicContact CG2-CD1 4.17Å
106Q98.8Very high98.7Very high63 Ų6335.2 Ų35.229%0.29418%0.177SC..Hα-helixtrans-58.8-46-179.8-170.361.453.800111.5N101 A102 T103 L108 L109 D110N101-Q106 HydrophobicContact CB-CB 4.04Å; N101-Q106 PolarHBondContact ND2-OE1 3.41Å; A102-Q106 PolarHBondContact O-N 2.79Å; T103-Q106 PolarHBondContact O-N 3.34Å; Q106-L108 VanDerWaalsContact C-N 3.27Å; Q106-L108 PolarHBondContact O-N 3.44Å; Q106-L109 PolarHBondContact O-N 3.44Å; Q106-L109 VanDerWaalsContact O-N 3.12Å; Q106-D110 PolarHBondContact NE2-OD1 3.09Å; Q106-D110 WeakPolarHBondContact O-CB 3.17Å; Q106-D110 PolarHBondContact O-N 3.28Å
107K98.6Very high98.7Very high45 Ų4531.6 Ų31.620%0.19616%0.163CC..Hα-helixtrans-56.6-39.2177.4-76.6-175174.9-1670112.5T103 V105 Q111 A246 L247 A248T103-K107 HydrophobicContact CG2-CD 4.25Å; T103-K107 HydrophobicContact CG2-CG 4.34Å; T103-K107 WeakPolarHBondContact O-CB 3.32Å; T103-K107 WeakPolarHBondContact O-CG 3.47Å; T103-K107 PolarHBondContact O-N 2.77Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.25Å; K107-Q111 WeakPolarHBondContact O-CG 3.34Å; K107-Q111 PolarHBondContact O-N 3.42Å; K107-A246 WeakPolarHBondContact CD-O 3.15Å; K107-L247 HydrophobicContact CB-CD2 4.34Å; K107-L247 WeakPolarHBondContact CD-O 3.44Å; K107-L247 PolarHBondContact NZ-O 2.98Å; K107-A248 PolarHBondContact NZ-O 3.28Å
108L98.8Very high98.7Very high4 Ų426.6 Ų26.62%0.02114%0.137CC..Hα-helixtrans-70.9-41.2176.6-66.3170.9000112.3L68 I73 V104 V105 Q106 D110 Q111 G112 A113 L188 V243 A246 L247L68-L108 HydrophobicContact CD1-CD2 3.77Å; I73-L108 HydrophobicContact CD1-CB 3.59Å; I73-L108 HydrophobicContact CD1-CD1 3.54Å; I73-L108 HydrophobicContact CD1-CG 4.08Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 3.3Å; V105-L108 PolarHBondContact O-N 3.44Å; V105-L108 VanDerWaalsContact O-N 3.15Å; Q106-L108 VanDerWaalsContact C-N 3.27Å; Q106-L108 PolarHBondContact O-N 3.44Å; L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 2.98Å; L108-Q111 PolarHBondContact O-N 3.02Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; L108-G112 PolarHBondContact O-N 3.03Å; L108-A113 HydrophobicContact CB-CB 4.21Å; L108-A113 VanDerWaalsContact O-CB 3.23Å; L108-A113 WeakPolarHBondContact O-CB 3.34Å; L108-A113 PolarHBondContact O-N 2.94Å; L108-A113 VanDerWaalsContact O-N 3.15Å; L108-L188 HydrophobicContact CD1-CD1 3.8Å; L108-L188 HydrophobicContact CD1-CD2 3.99Å; L108-L188 HydrophobicContact CD1-CG 3.85Å; L108-V243 HydrophobicContact CD2-CG1 4.31Å; L108-A246 HydrophobicContact CD2-CB 4.25Å; L108-L247 HydrophobicContact CD1-CD2 4.13Å; L108-L247 HydrophobicContact CD2-CD2 3.97Å; L108-L247 HydrophobicContact CD2-CG 4.35Å; L108-L247 HydrophobicContact CG-CD2 3.74Å
109L98.8Very high98.7Very high37 Ų3726.5 Ų26.519%0.19414%0.136CC..Hα-helixtrans-63.4-38.8176.3-65.8-179.8000111.9Q51 V105 Q106 Q111 G112 L115Q51-L109 VanDerWaalsContact NE2-CD2 3.34Å; V105-L109 HydrophobicContact CG1-CD1 4.02Å; V105-L109 HydrophobicContact CG1-CG 4.32Å; V105-L109 WeakPolarHBondContact O-CG 3.44Å; V105-L109 PolarHBondContact O-N 3.26Å; Q106-L109 PolarHBondContact O-N 3.44Å; Q106-L109 VanDerWaalsContact O-N 3.12Å; L109-Q111 PolarHBondContact O-N 2.8Å; L109-G112 WeakPolarHBondContact O-CA 3.24Å; L109-G112 PolarHBondContact O-N 3.23Å; L109-L115 HydrophobicContact CD2-CB 4.3Å
110D98.6Very high98.8Very high91 Ų9121.4 Ų21.449%0.48710%0.103SC..Hα-helixtrans-64.3-23.2176.1-65.6-19000112.4Q106 L108 G112Q106-D110 PolarHBondContact NE2-OD1 3.09Å; Q106-D110 WeakPolarHBondContact O-CB 3.17Å; Q106-D110 PolarHBondContact O-N 3.28Å; L108-D110 VanDerWaalsContact C-N 3.32Å; L108-D110 PolarHBondContact O-N 2.98Å; D110-G112 VanDerWaalsContact C-N 3.29Å
111Q98.3Very high98.8Very high71 Ų7117.1 Ų17.133%0.3329%0.086SC..THydrogen-bonded Turntrans-87.65172.1-61.2-65.3-69.100113L68 D69 K107 L108 L109 A246L68-Q111 CarbonylContact C-O 3.59Å; L68-Q111 HydrophobicContact CB-CB 3.92Å; L68-Q111 HydrophobicContact CD1-CB 4.13Å; L68-Q111 HydrophobicContact CD1-CG 4.39Å; D69-Q111 VanDerWaalsContact CA-O 3.27Å; D69-Q111 WeakPolarHBondContact CA-O 3.45Å; D69-Q111 PolarHBondContact N-O 3.21Å; D69-Q111 VanDerWaalsContact N-O 3.16Å; K107-Q111 WeakPolarHBondContact O-CG 3.34Å; K107-Q111 PolarHBondContact O-N 3.42Å; L108-Q111 PolarHBondContact O-N 3.02Å; L108-Q111 VanDerWaalsContact O-N 3.16Å; L109-Q111 PolarHBondContact O-N 2.8Å; Q111-A246 HydrophobicContact CG-CB 4.09Å
112G98.6Very high98.8Very high5 Ų515.9 Ų15.95%0.0528%0.08CC..THydrogen-bonded Turntrans79.315.417900000114.9G70 L108 L109 D110G70-G112 PolarHBondContact N-O 2.8Å; L108-G112 PolarHBondContact O-N 3.03Å; L109-G112 WeakPolarHBondContact O-CA 3.24Å; L109-G112 PolarHBondContact O-N 3.23Å; D110-G112 VanDerWaalsContact C-N 3.29Å
113A98.8Very high98.7Very high1 Ų119.1 Ų19.11%0.00810%0.095CC..  trans-66.5148.6176.900000111.7L68 I73 L108L68-A113 HydrophobicContact CB-CB 4.44Å; L68-A113 WeakPolarHBondContact O-CA 2.95Å; L68-A113 PolarHBondContact O-N 2.84Å; I73-A113 HydrophobicContact CD1-CB 3.59Å; I73-A113 HydrophobicContact CG1-CB 3.87Å; I73-A113 HydrophobicContact CG2-CB 4.26Å; L108-A113 HydrophobicContact CB-CB 4.21Å; L108-A113 VanDerWaalsContact O-CB 3.23Å; L108-A113 WeakPolarHBondContact O-CB 3.34Å; L108-A113 PolarHBondContact O-N 2.94Å; L108-A113 VanDerWaalsContact O-N 3.15Å
114L98.9Very high98.7Very high0 Ų021.7 Ų21.70%011%0.106CC..EExtended strand (participates in β ladder)trans-97.2117.2-176.8-46.1-179.2000110C24 Q51 A52 G70 I71 P72 I73 M116C24-L114 HydrophobicContact CB-CD1 3.85Å; Q51-L114 VanDerWaalsContact C-CD2 3.4Å; Q51-L114 HydrophobicContact CB-CD2 3.53Å; A52-L114 HydrophobicContact CB-CD1 3.77Å; A52-L114 HydrophobicContact CB-CD2 4.23Å; G70-L114 VanDerWaalsContact O-CD1 3.3Å; G70-L114 WeakPolarHBondContact O-CD1 3.48Å; I71-L114 PolarHBondContact O-N 3.46Å; P72-L114 HydrophobicContact CG-CD1 4.36Å; I73-L114 VanDerWaalsContact CG1-O 3.28Å; I73-L114 WeakPolarHBondContact CG1-O 3.43Å; I73-L114 PolarHBondContact N-O 3.14Å; L114-M116 PolarHBondContact O-N 2.9Å
115L98.9Very high98.7Very high6 Ų621.7 Ų21.73%0.03111%0.106CC..EExtended strand (participates in β ladder)trans-77.7105.3178.3178.760.6000110.1S44 A48 V75 T81 I84 L109S44-L115 PolarHBondContact OG-O 3.15Å; A48-L115 WeakPolarHBondContact CB-O 3.2Å; V75-L115 HydrophobicContact CB-CD1 4Å; V75-L115 HydrophobicContact CG2-CD1 3.53Å; T81-L115 HydrophobicContact CG2-CD2 4.42Å; I84-L115 HydrophobicContact CD1-CD2 3.56Å; L109-L115 HydrophobicContact CD2-CB 4.3Å
116M98.9Very high98.6Very high0 Ų027.5 Ų27.50%014%0.135CC..EExtended strand (participates in β ladder)trans-77.2-28.7-179.7-59.4-53.8-63.200113.1C27 L28 I31 Y40 S44 A48 P72 I73 L114 C184C27-M116 HydrophobicContact CB-CE 3.67Å; L28-M116 HydrophobicContact CD2-CE 3.73Å; L28-M116 HydrophobicContact CG-CE 3.66Å; I31-M116 HydrophobicContact CD1-CB 4.27Å; I31-M116 HydrophobicContact CD1-CE 3.89Å; Y40-M116 HydrophobicContact CE1-CB 4.33Å; S44-M116 PolarHBondContact N-O 3.27Å; S44-M116 PolarHBondContact OG-O 3.44Å; A48-M116 HydrophobicContact CB-SD 4.02Å; P72-M116 HydrophobicContact CB-CG 3.73Å; P72-M116 HydrophobicContact CB-SD 3.66Å; P72-M116 HydrophobicContact CG-SD 4.28Å; I73-M116 WeakPolarHBondContact O-CB 3.42Å; I73-M116 WeakPolarHBondContact O-CG 3.31Å; I73-M116 PolarHBondContact O-N 3.01Å; L114-M116 PolarHBondContact O-N 2.9Å; M116-C184 HydrophobicContact CG-CB 4.42Å
117G98.8Very high98.5Very high0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans157.8-176.117800000114.4T42 S44 V75T42-G117 CarbonylContact O-C 3.58Å; T42-G117 WeakPolarHBondContact O-CA 3.31Å; S44-G117 VanDerWaalsContact OG-CA 3.31Å; S44-G117 WeakPolarHBondContact OG-CA 3.23Å; S44-G117 PolarHBondContact OG-N 3.26Å; S44-G117 VanDerWaalsContact OG-N 3.14Å; V75-G117 PolarHBondContact N-O 2.93Å; V75-G117 VanDerWaalsContact N-O 3.08Å
118K98.9Very high98.3Very high0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-95.5118176.1-49.9-59.2-64.8-61.30110Y40 I41 T42 V75 D77 F79 T81 I84 E85 T86Y40-K118 WeakPolarHBondContact CA-O 3.31Å; I41-K118 PolarHBondContact N-O 3.2Å; T42-K118 PolarHBondContact N-O 3.03Å; T42-K118 PolarHBondContact O-N 2.81Å; V75-K118 CarbonylContact O-C 3.46Å; V75-K118 WeakPolarHBondContact O-CA 3.27Å; D77-K118 HydrophobicContact CB-CB 3.96Å; D77-K118 VanDerWaalsContact OD1-CB 3.26Å; D77-K118 WeakPolarHBondContact OD1-CB 3.41Å; D77-K118 WeakPolarHBondContact OD1-CE 3.38Å; D77-K118 IonicContact OD1-NZ 3.22Å; D77-K118 PolarHBondContact OD1-NZ 3.16Å; F79-K118 WeakPolarHBondContact O-CE 3.3Å; F79-K118 PolarHBondContact O-NZ 3.04Å; F79-K118 VanDerWaalsContact O-NZ 3.11Å; T81-K118 HydrophobicContact CG2-CD 3.7Å; T81-K118 WeakPolarHBondContact OG1-CD 3.36Å; T81-K118 WeakPolarHBondContact OG1-CE 3.38Å; T81-K118 PolarHBondContact OG1-NZ 3.11Å; I84-K118 HydrophobicContact CG2-CD 4.07Å; I84-K118 HydrophobicContact CG2-CG 3.74Å; E85-K118 PolarHBondContact O-NZ 2.96Å; T86-K118 PolarHBondContact OG1-NZ 3.47Å
119T98.9Very high98.1Very high0 Ų027.9 Ų27.90%016%0.156CC..EExtended strand (participates in β ladder)trans-84.3145.9-176.868.60000112.1A39 Y40 A74 V75 K76 D77 S175 A178A39-T119 CarbonylContact O-C 3.33Å; A39-T119 VanDerWaalsContact O-CA 3.24Å; A39-T119 WeakPolarHBondContact O-CA 3.47Å; A39-T119 WeakPolarHBondContact O-CB 3.49Å; Y40-T119 HydrophobicContact CD1-CG2 4.15Å; Y40-T119 HydrophobicContact CE1-CG2 4.02Å; A74-T119 HydrophobicContact CB-CG2 3.49Å; A74-T119 VanDerWaalsContact CB-CG2 3.49Å; V75-T119 PolarHBondContact O-N 3.44Å; K76-T119 VanDerWaalsContact CA-OG1 3.25Å; K76-T119 WeakPolarHBondContact CA-OG1 3.25Å; D77-T119 WeakPolarHBondContact CB-O 3.41Å; D77-T119 PolarHBondContact N-O 3.37Å; D77-T119 VanDerWaalsContact N-O 3.08Å; T119-S175 PolarHBondContact OG1-N 2.95Å; T119-S175 PolarHBondContact OG1-OG 2.91Å; T119-A178 HydrophobicContact CG2-CB 4.21Å
120N98.8Very high98Very high0 Ų026.2 Ų26.20%015%0.148CC..PPolyproline II helixtrans-67160.7177.8-160.86.2000112.2N38 A39 I41 G136 V138 G174N38-N120 PolarHBondContact ND2-ND2 3.01Å; N38-N120 WeakPolarHBondContact O-CB 3.2Å; N38-N120 PolarHBondContact O-ND2 3.25Å; A39-N120 PolarHBondContact O-N 2.85Å; I41-N120 HydrophobicContact CD1-CB 4.35Å; I41-N120 HydrophobicContact CG1-CB 3.86Å; N120-G136 PolarHBondContact ND2-O 2.94Å; N120-V138 HydrophobicContact CB-CG2 3.73Å; N120-G174 VanDerWaalsContact O-CA 3.23Å; N120-G174 WeakPolarHBondContact O-CA 3.41Å; N120-G174 PolarHBondContact O-N 2.99Å; N120-G174 VanDerWaalsContact O-N 3.08Å
121L98.6Very high97.8Very high2 Ų224.2 Ų24.21%0.0114%0.139CC..  trans-161.6167.2-169.465.8168.6000110.8I41 K76 D77 N78 A89 S171I41-L121 HydrophobicContact CD1-CD2 3.74Å; K76-L121 HydrophobicContact CD-CB 4.42Å; K76-L121 HydrophobicContact CD-CD1 4.39Å; K76-L121 HydrophobicContact CG-CB 4.17Å; K76-L121 HydrophobicContact CG-CD1 4.07Å; D77-L121 HydrophobicContact CB-CD2 3.67Å; N78-L121 HydrophobicContact CB-CD1 3.94Å; A89-L121 HydrophobicContact CB-CD2 3.52Å; A89-L121 HydrophobicContact CB-CG 3.81Å; A89-L121 WeakPolarHBondContact CB-O 3.25Å; L121-S171 VanDerWaalsContact CA-O 3.22Å; L121-S171 WeakPolarHBondContact CA-O 3.39Å; L121-S171 WeakPolarHBondContact CB-O 3.09Å
122D98.5Very high97.1Very high0 Ų026 Ų260%015%0.151CC..SBendtrans-66.1144.2160-64.8-65.9000110.3F124 A125 M126 G129 S130 T131 S171D122-F124 PolarHBondContact O-N 2.9Å; D122-A125 WeakPolarHBondContact O-CA 3.49Å; D122-A125 PolarHBondContact O-N 3.31Å; D122-M126 WeakPolarHBondContact CB-O 3.37Å; D122-G129 PolarHBondContact OD2-N 3.08Å; D122-S130 WeakPolarHBondContact OD1-CA 3.18Å; D122-S130 PolarHBondContact OD1-N 2.85Å; D122-S130 WeakPolarHBondContact OD2-CA 3.36Å; D122-S130 PolarHBondContact OD2-N 3.15Å; D122-T131 PolarHBondContact OD1-N 3.3Å; D122-T131 VanDerWaalsContact OD1-N 3.1Å; D122-S171 PolarHBondContact N-O 3.41Å; D122-S171 VanDerWaalsContact OD2-CA 3.27Å; D122-S171 WeakPolarHBondContact OD2-CA 3.2Å
123E98.4Very high96.7Very high69 Ų6926.1 Ų26.132%0.32215%0.152SC..G310 helixtrans-52.2125.6-177.2-170.4173.1-156.700111.3C88 S90 A125 M126C88-E123 WeakPolarHBondContact O-CA 3.17Å; S90-E123 VanDerWaalsContact CA-OE1 3.29Å; S90-E123 WeakPolarHBondContact CA-OE1 3.29Å; S90-E123 WeakPolarHBondContact CB-OE1 3.32Å; S90-E123 PolarHBondContact OG-OE1 3.27Å; E123-A125 PolarHBondContact O-N 3.04Å; E123-M126 WeakPolarHBondContact O-CB 3.14Å; E123-M126 PolarHBondContact O-N 3.17Å
124F98.3Very high96.6Very high57 Ų5728.8 Ų28.825%0.2517%0.168CC..G310 helixtrans51.129.3-174.9-75.2-73000115C88 S90 M92 L93 D122 M126 I221C88-F124 HydrophobicContact CB-CD1 3.75Å; C88-F124 HydrophobicContact CB-CE1 3.94Å; C88-F124 HydrophobicContact CB-CG 4.22Å; C88-F124 PolarHBondContact O-N 3.04Å; S90-F124 VanDerWaalsContact CB-CE2 3.4Å; S90-F124 VanDerWaalsContact OG-CE2 3.28Å; S90-F124 WeakPolarHBondContact OG-CE2 3.27Å; M92-F124 HydrophobicContact CB-CE2 3.98Å; M92-F124 HydrophobicContact CB-CZ 4.02Å; M92-F124 HydrophobicContact CG-CE2 4.41Å; M92-F124 HydrophobicContact CG-CZ 4.13Å; L93-F124 HydrophobicContact CD1-CE1 3.77Å; L93-F124 HydrophobicContact CD1-CZ 4.02Å; L93-F124 HydrophobicContact CG-CE1 4.3Å; L93-F124 HydrophobicContact CG-CZ 4.05Å; D122-F124 PolarHBondContact O-N 2.9Å; F124-M126 HydrophobicContact CB-CE 4.42Å; F124-M126 HydrophobicContact CB-CG 4.47Å; F124-M126 PolarHBondContact O-N 2.84Å; F124-I221 HydrophobicContact CD1-CG2 4.4Å; F124-I221 HydrophobicContact CE1-CG2 4.33Å
125A98.1Very high96.5Very high2 Ų232.9 Ų32.92%0.01719%0.186CC..G310 helixtrans6411.4-17500000114.9D122 E123 G127 S171 L223D122-A125 WeakPolarHBondContact O-CA 3.49Å; D122-A125 PolarHBondContact O-N 3.31Å; E123-A125 PolarHBondContact O-N 3.04Å; A125-G127 PolarHBondContact O-N 2.8Å; A125-S171 VanDerWaalsContact CA-OG 3.28Å; A125-S171 WeakPolarHBondContact CA-OG 3.2Å; A125-S171 VanDerWaalsContact CB-OG 3.31Å; A125-S171 WeakPolarHBondContact CB-OG 3.43Å; A125-S171 WeakPolarHBondContact O-CB 3.37Å; A125-S171 PolarHBondContact O-OG 2.96Å; A125-L223 HydrophobicContact CB-CD2 4.25Å
126M97.7Very high96.3Very high124 Ų12433.7 Ų33.761%0.61120%0.196SC*.  trans-88.492-179.8-62.4-176.6-172.500111D122 E123 F124 L223D122-M126 WeakPolarHBondContact CB-O 3.37Å; E123-M126 WeakPolarHBondContact O-CB 3.14Å; E123-M126 PolarHBondContact O-N 3.17Å; F124-M126 HydrophobicContact CB-CE 4.42Å; F124-M126 HydrophobicContact CB-CG 4.47Å; F124-M126 PolarHBondContact O-N 2.84Å; M126-L223 HydrophobicContact CE-CD1 3.42Å; M126-L223 VanDerWaalsContact CE-CD1 3.42Å; M126-L223 HydrophobicContact CG-CD1 3.47Å; M126-L223 VanDerWaalsContact CG-CD1 3.47Å; M126-L223 HydrophobicContact CG-CD2 4.42Å; M126-L223 HydrophobicContact SD-CD1 4.22Å
127G95.8Very high96.2Very high30 Ų3035.9 Ų35.931%0.30921%0.21SC..  trans160.2170.1176.900000112.2A125 G170 S171A125-G127 PolarHBondContact O-N 2.8Å; G127-G170 CarbonylContact O-C 3.2Å; G127-S171 PolarHBondContact O-N 3.08Å
128S95.8Very high96.1Very high83 Ų8335.9 Ų35.958%0.5821%0.21SC*.SBendtrans-129.914-179.4650000113G169 G170 N198S128-G169 CarbonylContact O-C 3.55Å; S128-G169 WeakPolarHBondContact O-CA 3.45Å; S128-G170 VanDerWaalsContact C-CA 3.45Å; S128-G170 PolarHBondContact O-N 2.58Å; S128-N198 PolarHBondContact O-OD1 3.1Å
129G93.6Very high95.9Very high8 Ų839.5 Ų39.58%0.08223%0.226CC..SBendtrans-127.2-18.7-175.900000115D122 T131 G169D122-G129 PolarHBondContact OD2-N 3.08Å; G129-T131 PolarHBondContact O-N 3.07Å; G129-G169 CarbonylContact C-O 3.45Å
130S96.7Very high95.8Very high1 Ų140.2 Ų40.21%0.00723%0.229CC..SBendtrans52.344.5-165.5-57.80000111.8D122 P137 V138 G169 G173D122-S130 WeakPolarHBondContact OD1-CA 3.18Å; D122-S130 PolarHBondContact OD1-N 2.85Å; D122-S130 WeakPolarHBondContact OD2-CA 3.36Å; D122-S130 PolarHBondContact OD2-N 3.15Å; S130-P137 CarbonylContact O-C 3.42Å; S130-P137 WeakPolarHBondContact O-CA 3.38Å; S130-V138 PolarHBondContact O-N 3.08Å; S130-G169 WeakPolarHBondContact CB-O 3.48Å; S130-G169 PolarHBondContact N-O 2.8Å; S130-G169 PolarHBondContact OG-O 2.87Å; S130-G173 WeakPolarHBondContact OG-CA 3.42Å; S130-G173 PolarHBondContact OG-N 3Å
131T93.9Very high95.5Very high50 Ų5042.4 Ų42.431%0.30724%0.243SC..  trans-110.6-22.9-178.452.20000113.3D122 G129 P137 W165 I167D122-T131 PolarHBondContact OD1-N 3.3Å; D122-T131 VanDerWaalsContact OD1-N 3.1Å; G129-T131 PolarHBondContact O-N 3.07Å; T131-P137 HydrophobicContact CG2-CB 4.41Å; T131-W165 HydrophobicContact CG2-CH2 4.08Å; T131-I167 HydrophobicContact CG2-CG2 3.75Å
132D83.3Confident95Very high108 Ų10849.6 Ų49.658%0.57827%0.271SS*.SBendtrans-104.5-2-161.4-55.1-23.6000113.1
133G90.5Very high93.9Very high7 Ų753.1 Ų53.17%0.07230%0.295CS..SBendtrans-69.4150.2177.800000113.7F135 G136G133-F135 PolarHBondContact O-N 3.49Å; G133-G136 PolarHBondContact O-N 2.7Å
134V96.4Very high92.3Very high57 Ų5752.5 Ų52.535%0.34529%0.29SS..THydrogen-bonded Turntrans-63.5-16.6-176.5-550000114.3A89 G136A89-V134 WeakPolarHBondContact O-CG1 3.46Å; A89-V134 VanDerWaalsContact O-CG2 3.31Å; A89-V134 WeakPolarHBondContact O-CG2 3.38Å; A89-V134 PolarHBondContact O-N 3.14Å; V134-G136 VanDerWaalsContact C-N 3.29Å
135F96.9Very high90.4Very high87 Ų8752.8 Ų52.838%0.38230%0.299SS..THydrogen-bonded Turntrans-89.56.9176.5-62.2-83.9000113.1N38 I41 T87 A89 G133N38-F135 PolarHBondContact ND2-O 2.98Å; I41-F135 HydrophobicContact CD1-CD2 3.56Å; I41-F135 HydrophobicContact CD1-CE2 3.94Å; I41-F135 HydrophobicContact CD1-CG 4.2Å; I41-F135 HydrophobicContact CG1-CB 4.13Å; I41-F135 HydrophobicContact CG1-CD1 4.47Å; I41-F135 HydrophobicContact CG1-CD2 3.74Å; I41-F135 HydrophobicContact CG1-CE2 4.3Å; I41-F135 HydrophobicContact CG1-CG 3.84Å; I41-F135 HydrophobicContact CG2-CD1 4.01Å; I41-F135 HydrophobicContact CG2-CD2 4.05Å; I41-F135 HydrophobicContact CG2-CE1 3.78Å; I41-F135 HydrophobicContact CG2-CE2 3.84Å; I41-F135 HydrophobicContact CG2-CG 4.14Å; I41-F135 HydrophobicContact CG2-CZ 3.69Å; T87-F135 HydrophobicContact CG2-CE2 4.35Å; T87-F135 HydrophobicContact CG2-CZ 4.15Å; T87-F135 VanDerWaalsContact OG1-CE2 3.27Å; T87-F135 WeakPolarHBondContact OG1-CE2 3.26Å; A89-F135 HydrophobicContact CB-CD2 4.14Å; G133-F135 PolarHBondContact O-N 3.49Å
136G95.6Very high88.4Confident23 Ų2360 Ų6024%0.23733%0.33CS..  trans82.2173.4179.200000113.7N38 N120 G133 V134N38-G136 PolarHBondContact ND2-O 2.94Å; N38-G136 VanDerWaalsContact ND2-O 3.16Å; N120-G136 PolarHBondContact ND2-O 2.94Å; G133-G136 PolarHBondContact O-N 2.7Å; V134-G136 VanDerWaalsContact C-N 3.29Å
137P96.1Very high86.7Confident46 Ų4659.3 Ų59.330%0.29933%0.326SS..PPolyproline II helixtrans-70.3150.7-170.628.1-35.8000112.8N38 S130 T131 W165N38-P137 WeakPolarHBondContact CB-O 3.38Å; N38-P137 PolarHBondContact ND2-O 3.4Å; N38-P137 VanDerWaalsContact ND2-O 3.11Å; S130-P137 CarbonylContact O-C 3.42Å; S130-P137 WeakPolarHBondContact O-CA 3.38Å; T131-P137 HydrophobicContact CG2-CB 4.41Å; P137-W165 HydrophobicContact CB-CH2 3.49Å; P137-W165 VanDerWaalsContact CB-CH2 3.49Å; P137-W165 HydrophobicContact CB-CZ2 3.96Å; P137-W165 HydrophobicContact CB-CZ3 4.23Å; P137-W165 HydrophobicContact CG-CH2 4.1Å; P137-W165 HydrophobicContact CG-CZ2 4.05Å
138V97.6Very high85Confident0 Ų063.2 Ų63.20%033%0.332CS..PPolyproline II helixtrans-95.3123.5170.4-168.50000109.6L37 N120 S130 T168 A177L37-V138 WeakPolarHBondContact O-CA 3.49Å; L37-V138 WeakPolarHBondContact O-CG1 3.31Å; N120-V138 HydrophobicContact CB-CG2 3.73Å; S130-V138 PolarHBondContact O-N 3.08Å; V138-T168 HydrophobicContact CB-CG2 4.32Å; V138-T168 HydrophobicContact CG1-CG2 3.83Å; V138-T168 PolarHBondContact O-OG1 3.37Å; V138-A177 HydrophobicContact CG1-CB 3.75Å
139K95.3Very high83.5Confident76 Ų7663.4 Ų63.433%0.3332%0.32SS..BIsolated β-bridgetrans-91.3139-178-50.9-171.9-179.8177.90111.2L37 W165 T168L37-K139 HydrophobicContact CD2-CB 4.33Å; L37-K139 WeakPolarHBondContact CD2-O 3.34Å; L37-K139 PolarHBondContact O-N 2.78Å; K139-W165 HydrophobicContact CB-CB 4.43Å; K139-W165 HydrophobicContact CB-CD2 4.39Å; K139-W165 HydrophobicContact CB-CE3 3.9Å; K139-W165 HydrophobicContact CD-CB 4.09Å; K139-W165 HydrophobicContact CD-CD2 4.14Å; K139-W165 HydrophobicContact CD-CE3 4.44Å; K139-W165 HydrophobicContact CD-CG 3.95Å; K139-W165 HydrophobicContact CG-CB 4.41Å; K139-W165 HydrophobicContact CG-CD2 3.86Å; K139-W165 HydrophobicContact CG-CE3 3.68Å; K139-W165 HydrophobicContact CG-CG 4.16Å; K139-W165 HydrophobicContact CG-CZ3 4.29Å; K139-T168 WeakPolarHBondContact O-CG2 3.48Å
140N95.8Very high82.1Confident14 Ų1467.5 Ų67.58%0.07534%0.337CS..PPolyproline II helixtrans-69.8132.9177.8-160.5-40.7000110.6W142 L166 I167 T168 H202N140-W142 PolarHBondContact O-N 2.78Å; N140-W142 WeakPolarHBondContact OD1-CB 3.38Å; N140-W142 PolarHBondContact OD1-N 2.84Å; N140-L166 HydrophobicContact CB-CB 3.85Å; N140-L166 WeakPolarHBondContact CB-O 2.94Å; N140-L166 PolarHBondContact N-O 2.95Å; N140-I167 WeakPolarHBondContact CB-O 3.38Å; N140-I167 PolarHBondContact ND2-O 3.43Å; N140-T168 HydrophobicContact CB-CG2 4.07Å; N140-H202 PolarHBondContact ND2-O 3.5Å
141P91.9Very high80.6Confident46 Ų4672.2 Ų72.230%0.29936%0.357SS..SBendtrans-59.9-26.3172.1-23.132.3000113.5L37 A177 A181L37-P141 HydrophobicContact CD1-CB 4.37Å; L37-P141 HydrophobicContact CD1-CG 3.93Å; P141-A177 HydrophobicContact CG-CB 4.49Å; P141-A181 HydrophobicContact CG-CB 4.39Å
142W89Confident79.2Confident153 Ų15374 Ų7458%0.5836%0.358SS*.  trans-83146.5175.9-55.5109.4000111.3N140 S180 C203N140-W142 PolarHBondContact O-N 2.78Å; N140-W142 WeakPolarHBondContact OD1-CB 3.38Å; N140-W142 PolarHBondContact OD1-N 2.84Å; W142-S180 PolarHBondContact NE1-OG 2.98Å; W142-C203 PolarHBondContact NE1-O 3.18Å
143S75.1Confident78.2Confident74 Ų7477.6 Ų77.652%0.51737%0.369SS..  trans-114.9166.317567.50000110.8S145S143-S145 PolarHBondContact O-N 2.88Å
144Y64Low76.7Confident57 Ų5784.6 Ų84.622%0.22440%0.4CS..  trans-54.5139.3176.3-67.6-80.1000112R149 L166Y144-R149 VanDerWaalsContact CB-CG 3.42Å; Y144-R149 HydrophobicContact CD2-CG 4.5Å; Y144-R149 HydrophobicContact CG-CG 4.2Å; Y144-L166 HydrophobicContact CD1-CD1 4.41Å; Y144-L166 HydrophobicContact CD1-CD2 4.17Å; Y144-L166 HydrophobicContact CD2-CG 4.44Å; Y144-L166 HydrophobicContact CE1-CD2 3.5Å; Y144-L166 HydrophobicContact CE1-CG 4.29Å; Y144-L166 HydrophobicContact CE2-CD2 3.94Å; Y144-L166 HydrophobicContact CE2-CG 4.09Å; Y144-L166 HydrophobicContact CG-CD1 4.47Å; Y144-L166 WeakPolarHBondContact OH-CD2 3.48Å
145S59.1Low74.8Confident62 Ų6287 Ų8743%0.43441%0.41SS..  trans-61.7152.8163.578.30000109.8S143 Q147 Y148 R149S143-S145 PolarHBondContact O-N 2.88Å; S145-Q147 PolarHBondContact O-N 3.38Å; S145-Y148 PolarHBondContact O-N 3.27Å; S145-Y148 WeakPolarHBondContact OG-CD2 3.45Å; S145-R149 PolarHBondContact O-N 3.37Å; S145-R149 VanDerWaalsContact O-N 3.09Å
146K57.5Low72.7Confident154 Ų15487.4 Ų87.467%0.6742%0.422SS*.Hα-helixtrans-51.4-41.6179.6-178.1177.9171.6-1770112Y148 R149 E150K146-Y148 PolarHBondContact O-N 2.7Å; K146-R149 PolarHBondContact O-N 3.47Å; K146-E150 WeakPolarHBondContact CE-OE1 3.19Å; K146-E150 WeakPolarHBondContact CG-OE1 3.13Å; K146-E150 WeakPolarHBondContact O-CG 3.26Å; K146-E150 PolarHBondContact O-N 3.44Å
147Q60.2Low70.6Confident110 Ų11095 Ų9551%0.51445%0.451SS..Hα-helixtrans-61.6-42.3178.9-172.4-176.18.300113S145 E150 K151S145-Q147 PolarHBondContact O-N 3.38Å; Q147-E150 PolarHBondContact O-N 2.89Å; Q147-K151 WeakPolarHBondContact O-CG 3.44Å; Q147-K151 PolarHBondContact O-N 2.97Å
148Y60.7Low68.6Low112 Ų11295.7 Ų95.744%0.43946%0.457SS..Hα-helixtrans-69.7-37.7177.3-91-95000112S145 K146 E150 R152 E293S145-Y148 PolarHBondContact O-N 3.27Å; S145-Y148 WeakPolarHBondContact OG-CD2 3.45Å; K146-Y148 PolarHBondContact O-N 2.7Å; Y148-E150 VanDerWaalsContact C-N 3.34Å; Y148-R152 PolarHBondContact O-N 3.26Å; Y148-E293 WeakPolarHBondContact CE2-OE2 3.47Å; Y148-E293 PolarHBondContact OH-OE2 3.28Å
149R64.7Low66.2Low86 Ų86103.9 Ų103.933%0.32550%0.495SS..Hα-helixtrans-61.5-43.2173.7-68.5-177.2159.5147.4-10.8111.8Y144 S145 K146 R152 K153 D164Y144-R149 VanDerWaalsContact CB-CG 3.42Å; Y144-R149 HydrophobicContact CD2-CG 4.5Å; Y144-R149 HydrophobicContact CG-CG 4.2Å; S145-R149 PolarHBondContact O-N 3.37Å; S145-R149 VanDerWaalsContact O-N 3.09Å; K146-R149 PolarHBondContact O-N 3.47Å; R149-R152 PolarHBondContact O-N 3.3Å; R149-K153 WeakPolarHBondContact O-CG 3.37Å; R149-K153 PolarHBondContact O-N 3.3Å; R149-K153 VanDerWaalsContact O-N 3.08Å; R149-D164 IonicContact CZ-OD1 3.32Å; R149-D164 IonicContact NE-OD1 3.29Å; R149-D164 IonicContact NH2-OD1 3.59Å; R149-D164 PolarHBondContact NH2-OD1 3.04Å; R149-D164 IonicContact NH2-OD2 3.93Å; R149-D164 PolarHBondContact NH2-OD2 2.95Å
150E64.8Low64.2Low95 Ų95106.6 Ų106.644%0.44451%0.513SS..Hα-helixtrans-66.9-43.4179.9-73.7171.8176.500112.1K146 Q147 Y148 R152 K153 Q154K146-E150 WeakPolarHBondContact CE-OE1 3.19Å; K146-E150 WeakPolarHBondContact CG-OE1 3.13Å; K146-E150 WeakPolarHBondContact O-CG 3.26Å; K146-E150 PolarHBondContact O-N 3.44Å; Q147-E150 PolarHBondContact O-N 2.89Å; Y148-E150 VanDerWaalsContact C-N 3.34Å; E150-R152 PolarHBondContact O-N 2.63Å; E150-K153 PolarHBondContact O-N 2.78Å; E150-Q154 WeakPolarHBondContact O-CG 3.45Å; E150-Q154 PolarHBondContact O-N 3.47Å
151K63.9Low62Low99 Ų99115.5 Ų115.543%0.4355%0.554SS.*Hα-helixtrans-60.6-41172.9-74.1179.7-179.4176.60112.2Q147 Q154 E293Q147-K151 WeakPolarHBondContact O-CG 3.44Å; Q147-K151 PolarHBondContact O-N 2.97Å; K151-Q154 PolarHBondContact O-N 3.1Å; K151-E293 IonicContact NZ-OE1 3.2Å; K151-E293 PolarHBondContact NZ-OE1 3.03Å
152R64.9Low60Low88 Ų88120.3 Ų120.333%0.33258%0.578SS.*Hα-helixtrans-64.8-41.5177.9-169.4-174.7177.3-174.51.5112.2Y148 R149 E150 Q154 N155 S163Y148-R152 PolarHBondContact O-N 3.26Å; R149-R152 PolarHBondContact O-N 3.3Å; E150-R152 PolarHBondContact O-N 2.63Å; R152-Q154 PolarHBondContact O-N 2.93Å; R152-N155 PolarHBondContact O-N 3.23Å; R152-S163 PolarHBondContact NH1-O 2.84Å
153K61.5Low58.6Low183 Ų183115 Ų11580%0.79656%0.564SS**Hα-helixtrans-62.3-22.3177.9-75.8-179.4179.4-172.90113.7R149 E150 N155R149-K153 WeakPolarHBondContact O-CG 3.37Å; R149-K153 PolarHBondContact O-N 3.3Å; R149-K153 VanDerWaalsContact O-N 3.08Å; E150-K153 PolarHBondContact O-N 2.78Å; K153-N155 VanDerWaalsContact C-N 3.25Å; K153-N155 PolarHBondContact O-N 2.86Å
154Q60.8Low58.6Low154 Ų154116.7 Ų116.772%0.7257%0.567SS**THydrogen-bonded Turntrans-80.4-3.5176.7-67.3170.71.900113.2E150 K151 R152 P156E150-Q154 WeakPolarHBondContact O-CG 3.45Å; E150-Q154 PolarHBondContact O-N 3.47Å; K151-Q154 PolarHBondContact O-N 3.1Å; R152-Q154 PolarHBondContact O-N 2.93Å; Q154-P156 WeakPolarHBondContact O-CD 3.43Å
155N55.2Low59.5Low107 Ų107117.1 Ų117.157%0.57257%0.569SS**  trans-112.493.1-177.4-146.2-8.5000110.9R152 K153 H157R152-N155 PolarHBondContact O-N 3.23Å; K153-N155 VanDerWaalsContact C-N 3.25Å; K153-N155 PolarHBondContact O-N 2.86Å; N155-H157 PolarHBondContact O-N 3.45Å; N155-H157 VanDerWaalsContact O-N 3.12Å
156P52.7Low61Low97 Ų97116.5 Ų116.563%0.6356%0.56SS**THydrogen-bonded Turntrans-72.9-1.4-168.327.3-34.2000115.2Q154Q154-P156 WeakPolarHBondContact O-CD 3.43Å
157H52.9Low62.7Low181 Ų181112.4 Ų112.484%0.83855%0.545SS*.THydrogen-bonded Turntrans-88.17.4178.3-74-34.5000115N155N155-H157 PolarHBondContact O-N 3.45Å; N155-H157 VanDerWaalsContact O-N 3.12Å
158S52.2Low64.4Low61 Ų61107.1 Ų107.143%0.42752%0.52SS..  trans-104.160.5171.678.60000111.5N160S158-N160 PolarHBondContact O-N 3.3Å
159E47.7Very low66.2Low173 Ų173101.8 Ų101.881%0.80850%0.499SS*.  trans-76.438.7173-66.1-172.6162.100112.8
160N54.2Low67.8Low132 Ų13297.8 Ų97.871%0.70649%0.485SS*.  trans-106.1102.2156.6-88.1-18.6000106.4S158 D162S158-N160 PolarHBondContact O-N 3.3Å; N160-D162 PolarHBondContact O-N 2.94Å
161E48.6Very low69.3Low201 Ų20193.3 Ų93.394%0.93946%0.464SS*.  trans-58.4-5.4174.1-67.9-174.3144.700113.1
162D51.1Low71Confident147 Ų14788.6 Ų88.679%0.78644%0.443SS*.  trans-104.429.1-157.7-116.5-12.2000117N160N160-D162 PolarHBondContact O-N 2.94Å
163S59.9Low72.6Confident43 Ų4384.4 Ų84.430%0.30143%0.427SS..  trans-158.885.6163.125.90000115.1R152 W165R152-S163 PolarHBondContact NH1-O 2.84Å; S163-W165 VanDerWaalsContact CB-CD1 3.42Å; S163-W165 PolarHBondContact O-N 2.77Å
164D73.6Confident74.4Confident108 Ų10875.7 Ų75.758%0.57839%0.389SS*.  trans-80.444.5155.4-169.830.5000110.7R149R149-D164 IonicContact CZ-OD1 3.32Å; R149-D164 IonicContact NE-OD1 3.29Å; R149-D164 IonicContact NH2-OD1 3.59Å; R149-D164 PolarHBondContact NH2-OD1 3.04Å; R149-D164 IonicContact NH2-OD2 3.93Å; R149-D164 PolarHBondContact NH2-OD2 2.95Å
165W82.7Confident76.2Confident67 Ų6768.3 Ų68.325%0.25436%0.355SS..  trans-139.1157.1176.471.3-87.5000110.9T131 P137 K139 S163 I167T131-W165 HydrophobicContact CG2-CH2 4.08Å; P137-W165 HydrophobicContact CB-CH2 3.49Å; P137-W165 VanDerWaalsContact CB-CH2 3.49Å; P137-W165 HydrophobicContact CB-CZ2 3.96Å; P137-W165 HydrophobicContact CB-CZ3 4.23Å; P137-W165 HydrophobicContact CG-CH2 4.1Å; P137-W165 HydrophobicContact CG-CZ2 4.05Å; K139-W165 HydrophobicContact CB-CB 4.43Å; K139-W165 HydrophobicContact CB-CD2 4.39Å; K139-W165 HydrophobicContact CB-CE3 3.9Å; K139-W165 HydrophobicContact CD-CB 4.09Å; K139-W165 HydrophobicContact CD-CD2 4.14Å; K139-W165 HydrophobicContact CD-CE3 4.44Å; K139-W165 HydrophobicContact CD-CG 3.95Å; K139-W165 HydrophobicContact CG-CB 4.41Å; K139-W165 HydrophobicContact CG-CD2 3.86Å; K139-W165 HydrophobicContact CG-CE3 3.68Å; K139-W165 HydrophobicContact CG-CG 4.16Å; K139-W165 HydrophobicContact CG-CZ3 4.29Å; S163-W165 VanDerWaalsContact CB-CD1 3.42Å; S163-W165 PolarHBondContact O-N 2.77Å; W165-I167 HydrophobicContact CH2-CG2 4.44Å; W165-I167 HydrophobicContact CZ3-CG2 4.21Å
166L90.6Very high78.3Confident48 Ų4863.2 Ų63.225%0.25133%0.328SS..  trans-114.8148.1-177.9-73.1170.6000110.1N140 Y144N140-L166 HydrophobicContact CB-CB 3.85Å; N140-L166 WeakPolarHBondContact CB-O 2.94Å; N140-L166 PolarHBondContact N-O 2.95Å; Y144-L166 HydrophobicContact CD1-CD1 4.41Å; Y144-L166 HydrophobicContact CD1-CD2 4.17Å; Y144-L166 HydrophobicContact CD2-CG 4.44Å; Y144-L166 HydrophobicContact CE1-CD2 3.5Å; Y144-L166 HydrophobicContact CE1-CG 4.29Å; Y144-L166 HydrophobicContact CE2-CD2 3.94Å; Y144-L166 HydrophobicContact CE2-CG 4.09Å; Y144-L166 HydrophobicContact CG-CD1 4.47Å; Y144-L166 WeakPolarHBondContact OH-CD2 3.48Å
167I94.3Very high80.5Confident68 Ų6858.6 Ų58.635%0.34930%0.298SS..BIsolated β-bridgetrans-63.9151.6171.362.2165.8000110.8T131 N140 W165 G169T131-I167 HydrophobicContact CG2-CG2 3.75Å; N140-I167 WeakPolarHBondContact CB-O 3.38Å; N140-I167 PolarHBondContact ND2-O 3.43Å; W165-I167 HydrophobicContact CH2-CG2 4.44Å; W165-I167 HydrophobicContact CZ3-CG2 4.21Å; I167-G169 VanDerWaalsContact C-N 3.27Å
168T96.6Very high82.7Confident0 Ų050 Ų500%026%0.258CS..  trans-85.4-2.1173.844.30000112.8V138 K139 N140 G173 A177 P199 H202V138-T168 HydrophobicContact CB-CG2 4.32Å; V138-T168 HydrophobicContact CG1-CG2 3.83Å; V138-T168 PolarHBondContact O-OG1 3.37Å; K139-T168 WeakPolarHBondContact O-CG2 3.48Å; N140-T168 HydrophobicContact CB-CG2 4.07Å; T168-G173 VanDerWaalsContact OG1-CA 3.23Å; T168-G173 WeakPolarHBondContact OG1-CA 3.34Å; T168-A177 HydrophobicContact CG2-CB 4.01Å; T168-P199 WeakPolarHBondContact O-CA 3.16Å; T168-P199 WeakPolarHBondContact O-CB 3.5Å; T168-H202 WeakPolarHBondContact O-CB 3.19Å
169G97.3Very high84.9Confident0 Ų047.1 Ų47.10%024%0.238CC..  trans75.5-178.8-16000000111.3S128 G129 S130 I167 N198S128-G169 CarbonylContact O-C 3.55Å; S128-G169 WeakPolarHBondContact O-CA 3.45Å; G129-G169 CarbonylContact C-O 3.45Å; S130-G169 WeakPolarHBondContact CB-O 3.48Å; S130-G169 PolarHBondContact N-O 2.8Å; S130-G169 PolarHBondContact OG-O 2.87Å; I167-G169 VanDerWaalsContact C-N 3.27Å; G169-N198 WeakPolarHBondContact CA-OD1 3.42Å
170G97.4Very high87.3Confident2 Ų239.3 Ų39.32%0.02120%0.203CC..SBendtrans-161.2162.5-174.900000114.2G127 S128 S195 N198G127-G170 CarbonylContact O-C 3.2Å; S128-G170 VanDerWaalsContact C-CA 3.45Å; S128-G170 PolarHBondContact O-N 2.58Å; G170-S195 WeakPolarHBondContact O-CA 3.48Å; G170-N198 PolarHBondContact N-OD1 3.5Å; G170-N198 PolarHBondContact O-OD1 2.79Å
171S98.3Very high89.3Confident0 Ų033.7 Ų33.70%017%0.174CC..SBendcis-95.73.78.558.30000115.5K76 L121 D122 A125 G127 G173 S195K76-S171 VanDerWaalsContact CE-O 3.24Å; K76-S171 WeakPolarHBondContact CE-O 3.37Å; K76-S171 PolarHBondContact NZ-O 2.82Å; K76-S171 PolarHBondContact NZ-OG 2.92Å; L121-S171 VanDerWaalsContact CA-O 3.22Å; L121-S171 WeakPolarHBondContact CA-O 3.39Å; L121-S171 WeakPolarHBondContact CB-O 3.09Å; D122-S171 PolarHBondContact N-O 3.41Å; D122-S171 VanDerWaalsContact OD2-CA 3.27Å; D122-S171 WeakPolarHBondContact OD2-CA 3.2Å; A125-S171 VanDerWaalsContact CA-OG 3.28Å; A125-S171 WeakPolarHBondContact CA-OG 3.2Å; A125-S171 VanDerWaalsContact CB-OG 3.31Å; A125-S171 WeakPolarHBondContact CB-OG 3.43Å; A125-S171 WeakPolarHBondContact O-CB 3.37Å; A125-S171 PolarHBondContact O-OG 2.96Å; G127-S171 PolarHBondContact O-N 3.08Å; S171-G173 VanDerWaalsContact C-N 3.32Å; S171-G173 PolarHBondContact O-N 3.14Å; S171-S195 VanDerWaalsContact N-CB 3.35Å; S171-S195 WeakPolarHBondContact OG-CB 3.35Å; S171-S195 PolarHBondContact OG-OG 3.11Å
172S98.8Very high91.7Very high0 Ų028 Ų280%015%0.147CC..SBendtrans-95.537.2177.4-43.60000112.7K76 G174 S175 A176 S190 S195K76-S172 WeakPolarHBondContact CD-OG 3.49Å; K76-S172 PolarHBondContact NZ-OG 3.23Å; S172-G174 PolarHBondContact O-N 3.1Å; S172-S175 WeakPolarHBondContact O-CB 3.24Å; S172-S175 PolarHBondContact O-N 2.96Å; S172-A176 PolarHBondContact O-N 3.06Å; S172-A176 VanDerWaalsContact O-N 3.08Å; S172-S190 PolarHBondContact OG-N 2.88Å; S172-S190 PolarHBondContact OG-O 3.18Å; S172-S195 WeakPolarHBondContact CB-O 3.17Å; S172-S195 PolarHBondContact N-O 3.47Å; S172-S195 VanDerWaalsContact N-O 3.07Å; S172-S195 PolarHBondContact OG-O 3.09Å
173G98.6Very high94Very high0 Ų021.1 Ų21.10%011%0.11CC..Hα-helixtrans-64.2-37.6-174.500000113.5S130 T168 S171 S175 A176 A177S130-G173 WeakPolarHBondContact OG-CA 3.42Å; S130-G173 PolarHBondContact OG-N 3Å; T168-G173 VanDerWaalsContact OG1-CA 3.23Å; T168-G173 WeakPolarHBondContact OG1-CA 3.34Å; S171-G173 VanDerWaalsContact C-N 3.32Å; S171-G173 PolarHBondContact O-N 3.14Å; G173-S175 VanDerWaalsContact C-N 3.33Å; G173-S175 PolarHBondContact O-N 3.47Å; G173-A176 PolarHBondContact O-N 3.3Å; G173-A177 WeakPolarHBondContact O-CB 3.31Å; G173-A177 PolarHBondContact O-N 3.23Å
174G98.8Very high95.8Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-62.9-39.2173.500000112.7A39 N120 S172 A177 A178A39-G174 WeakPolarHBondContact O-CA 3.46Å; N120-G174 VanDerWaalsContact O-CA 3.23Å; N120-G174 WeakPolarHBondContact O-CA 3.41Å; N120-G174 PolarHBondContact O-N 2.99Å; N120-G174 VanDerWaalsContact O-N 3.08Å; S172-G174 PolarHBondContact O-N 3.1Å; G174-A177 PolarHBondContact O-N 2.87Å; G174-A178 VanDerWaalsContact O-CB 3.25Å; G174-A178 WeakPolarHBondContact O-CB 3.43Å; G174-A178 PolarHBondContact O-N 3.36Å
175S98.9Very high97Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-62.9-43.5175.4-440000111.4T119 S172 G173 A178 V179 L188T119-S175 PolarHBondContact OG1-N 2.95Å; T119-S175 PolarHBondContact OG1-OG 2.91Å; S172-S175 WeakPolarHBondContact O-CB 3.24Å; S172-S175 PolarHBondContact O-N 2.96Å; G173-S175 VanDerWaalsContact C-N 3.33Å; G173-S175 PolarHBondContact O-N 3.47Å; S175-A178 PolarHBondContact O-N 3.19Å; S175-V179 WeakPolarHBondContact O-CG2 3.37Å; S175-V179 PolarHBondContact O-N 2.94Å; S175-L188 PolarHBondContact OG-O 3.25Å
176A98.8Very high97.8Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-66.6-46.3177.200000112S172 G173 A178 V179 S180 P199 C203 L205 L233S172-A176 PolarHBondContact O-N 3.06Å; S172-A176 VanDerWaalsContact O-N 3.08Å; G173-A176 PolarHBondContact O-N 3.3Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 2.77Å; A176-V179 PolarHBondContact O-N 3.26Å; A176-S180 WeakPolarHBondContact O-CB 3.4Å; A176-S180 PolarHBondContact O-N 3.48Å; A176-P199 HydrophobicContact CB-CB 3.82Å; A176-C203 HydrophobicContact CB-CB 3.95Å; A176-L205 HydrophobicContact CB-CD1 4.14Å; A176-L205 VanDerWaalsContact O-CD1 3.29Å; A176-L205 WeakPolarHBondContact O-CD1 3.43Å; A176-L233 HydrophobicContact CB-CD2 3.64Å
177A98.7Very high98.2Very high0 Ų08.8 Ų8.80%05%0.046CC..Hα-helixtrans-60-41.2176.300000112A39 V138 P141 T168 G173 G174 A181A39-A177 HydrophobicContact CB-CB 3.85Å; V138-A177 HydrophobicContact CG1-CB 3.75Å; P141-A177 HydrophobicContact CG-CB 4.49Å; T168-A177 HydrophobicContact CG2-CB 4.01Å; G173-A177 WeakPolarHBondContact O-CB 3.31Å; G173-A177 PolarHBondContact O-N 3.23Å; G174-A177 PolarHBondContact O-N 2.87Å; A177-A181 WeakPolarHBondContact O-CB 3.32Å; A177-A181 PolarHBondContact O-N 2.87Å
178A98.8Very high98.4Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-60.6-46.6178.800000112.7A39 Y40 A74 T119 G174 S175 A176 T183A39-A178 HydrophobicContact CB-CB 4.34Å; Y40-A178 HydrophobicContact CE2-CB 3.86Å; A74-A178 HydrophobicContact CB-CB 4.45Å; T119-A178 HydrophobicContact CG2-CB 4.21Å; G174-A178 VanDerWaalsContact O-CB 3.25Å; G174-A178 WeakPolarHBondContact O-CB 3.43Å; G174-A178 PolarHBondContact O-N 3.36Å; S175-A178 PolarHBondContact O-N 3.19Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 2.77Å; A178-T183 VanDerWaalsContact C-OG1 3.3Å; A178-T183 VanDerWaalsContact CA-OG1 3.27Å; A178-T183 WeakPolarHBondContact CA-OG1 3.25Å; A178-T183 PolarHBondContact O-N 2.69Å; A178-T183 PolarHBondContact O-OG1 3.04Å
179V98.8Very high98.5Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-70.8-43.4180174.50000111.3S175 A176 A181 F182 A187 L205 L233 R235S175-V179 WeakPolarHBondContact O-CG2 3.37Å; S175-V179 PolarHBondContact O-N 2.94Å; A176-V179 PolarHBondContact O-N 3.26Å; V179-A181 VanDerWaalsContact C-N 3.33Å; V179-A181 PolarHBondContact O-N 3.23Å; V179-F182 PolarHBondContact O-N 3.21Å; V179-F182 VanDerWaalsContact O-N 3.15Å; V179-A187 HydrophobicContact CG2-CB 3.62Å; V179-L205 HydrophobicContact CB-CD1 3.79Å; V179-L205 HydrophobicContact CG1-CD1 3.88Å; V179-L205 HydrophobicContact CG1-CD2 3.84Å; V179-L233 HydrophobicContact CG2-CB 4.36Å; V179-R235 HydrophobicContact CG1-CG 3.81Å; V179-R235 PolarHBondContact O-NH1 3Å
180S98Very high98.6Very high10 Ų105.7 Ų5.77%0.073%0.031CC..Hα-helixtrans-66.4-34-179.8-1770000112.1W142 A176 F182 C203W142-S180 PolarHBondContact NE1-OG 2.98Å; A176-S180 WeakPolarHBondContact O-CB 3.4Å; A176-S180 PolarHBondContact O-N 3.48Å; S180-F182 WeakPolarHBondContact O-CD2 3.25Å; S180-F182 WeakPolarHBondContact O-CE2 3.42Å; S180-F182 PolarHBondContact O-N 3.04Å; S180-C203 PolarHBondContact OG-O 3.35Å
181A97.7Very high98.6Very high13 Ų135.6 Ų5.611%0.1073%0.03CC..THydrogen-bonded Turntrans-82.89.9174.400000114.4T34 L37 P141 A177 V179 T183T34-A181 HydrophobicContact CG2-CB 4.38Å; L37-A181 HydrophobicContact CD1-CB 3.69Å; P141-A181 HydrophobicContact CG-CB 4.39Å; A177-A181 WeakPolarHBondContact O-CB 3.32Å; A177-A181 PolarHBondContact O-N 2.87Å; V179-A181 VanDerWaalsContact C-N 3.33Å; V179-A181 PolarHBondContact O-N 3.23Å; A181-T183 HydrophobicContact CB-CG2 4.16Å; A181-T183 PolarHBondContact O-N 2.88Å; A181-T183 VanDerWaalsContact O-N 3.14Å
182F98.1Very high98.6Very high83 Ų836.4 Ų6.436%0.3643%0.034SC..THydrogen-bonded Turntrans59.821179.1-53-89.1000114.9L2 L30 V179 S180 C184L2-F182 HydrophobicContact CB-CB 4.36Å; L2-F182 WeakPolarHBondContact O-CD1 3.5Å; L30-F182 HydrophobicContact CD1-CB 3.97Å; V179-F182 PolarHBondContact O-N 3.21Å; V179-F182 VanDerWaalsContact O-N 3.15Å; S180-F182 WeakPolarHBondContact O-CD2 3.25Å; S180-F182 WeakPolarHBondContact O-CE2 3.42Å; S180-F182 PolarHBondContact O-N 3.04Å; F182-C184 VanDerWaalsContact C-N 3.3Å
183T98.6Very high98.5Very high1 Ų19.6 Ų9.61%0.0067%0.067CC..SBendtrans-79.8-15.2178.266.50000113.1C27 L30 I31 Y40 A178 A181C27-T183 VanDerWaalsContact CB-O 3.31Å; C27-T183 WeakPolarHBondContact CB-O 3.43Å; L30-T183 HydrophobicContact CB-CG2 4.06Å; I31-T183 HydrophobicContact CG1-CG2 3.81Å; Y40-T183 WeakPolarHBondContact CE2-OG1 3.24Å; Y40-T183 PolarHBondContact OH-OG1 3.28Å; A178-T183 VanDerWaalsContact C-OG1 3.3Å; A178-T183 VanDerWaalsContact CA-OG1 3.27Å; A178-T183 WeakPolarHBondContact CA-OG1 3.25Å; A178-T183 PolarHBondContact O-N 2.69Å; A178-T183 PolarHBondContact O-OG1 3.04Å; A181-T183 HydrophobicContact CB-CG2 4.16Å; A181-T183 PolarHBondContact O-N 2.88Å; A181-T183 VanDerWaalsContact O-N 3.14Å
184C98.8Very high98.5Very high0 Ų010 Ų100%07%0.072CC..  trans-150.7172.2170.458.60000109.6P72 A74 M116 F182 R235P72-C184 WeakPolarHBondContact O-CB 3.4Å; A74-C184 HydrophobicContact CB-CB 4.3Å; M116-C184 HydrophobicContact CG-CB 4.42Å; F182-C184 VanDerWaalsContact C-N 3.3Å; C184-R235 PolarHBondContact O-NH1 3.34Å
185Y98.7Very high98.4Very high1 Ų110.5 Ų10.50%0.0048%0.076CC..SBendtrans-96.2-29.6177.7-72.5-94.4000112.9M1 L2 R4 L6 V9 L23 I71 P72 R235M1-Y185 PolarHBondContact O-OH 3.08Å; L2-Y185 WeakPolarHBondContact CA-OH 3.27Å; R4-Y185 WeakPolarHBondContact O-CE1 3.49Å; L6-Y185 HydrophobicContact CB-CD1 4.4Å; V9-Y185 HydrophobicContact CB-CE1 4.03Å; V9-Y185 HydrophobicContact CG1-CE1 4.34Å; V9-Y185 HydrophobicContact CG1-CE2 4.49Å; V9-Y185 HydrophobicContact CG2-CE1 3.52Å; V9-Y185 WeakPolarHBondContact CG2-OH 3.33Å; L23-Y185 HydrophobicContact CD1-CE2 3.82Å; L23-Y185 WeakPolarHBondContact CD1-OH 3.46Å; L23-Y185 HydrophobicContact CD2-CE2 4.04Å; L23-Y185 HydrophobicContact CG-CE2 4.24Å; I71-Y185 HydrophobicContact CG2-CD2 4.18Å; I71-Y185 HydrophobicContact CG2-CG 4.16Å; P72-Y185 HydrophobicContact CB-CD2 4.25Å; P72-Y185 HydrophobicContact CG-CD2 4.31Å; P72-Y185 HydrophobicContact CG-CE2 4.33Å; P72-Y185 PolarHBondContact O-N 2.87Å; Y185-R235 VanDerWaalsContact CE1-NH2 3.25Å
186A98.8Very high98.4Very high3 Ų310.5 Ų10.53%0.0258%0.076CC..EExtended strand (participates in β ladder)trans-144.3154.5174.500000110.2I73 A74 L233 T234 V243I73-A186 VanDerWaalsContact CA-O 3.27Å; I73-A186 WeakPolarHBondContact CA-O 3.28Å; I73-A186 HydrophobicContact CG2-CB 4.28Å; A74-A186 PolarHBondContact N-O 2.83Å; A186-L233 CarbonylContact C-O 3.59Å; A186-L233 VanDerWaalsContact CA-O 3.31Å; A186-L233 WeakPolarHBondContact CA-O 3.48Å; A186-T234 HydrophobicContact CB-CG2 3.8Å; A186-V243 HydrophobicContact CB-CG2 3.72Å
187A98.9Very high98.4Very high3 Ų316.2 Ų16.23%0.02510%0.097CC..EExtended strand (participates in β ladder)trans-134.9145170.100000111.9A74 V179 L233A74-A187 HydrophobicContact CB-CB 4.09Å; A74-A187 CarbonylContact O-C 3.4Å; A74-A187 WeakPolarHBondContact O-CA 3.31Å; V179-A187 HydrophobicContact CG2-CB 3.62Å; A187-L233 PolarHBondContact N-O 3.15Å; A187-L233 PolarHBondContact O-N 3.14Å
188L98.9Very high98.4Very high2 Ų218.5 Ų18.51%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-79.3128166.5-67.1-177.5000109.6A74 V75 K76 F79 V104 V105 L108 S175 L247A74-L188 PolarHBondContact O-N 2.54Å; V75-L188 HydrophobicContact CG1-CD1 4.33Å; V75-L188 HydrophobicContact CG2-CD1 4.12Å; V75-L188 HydrophobicContact CG2-CG 4.49Å; K76-L188 VanDerWaalsContact CB-O 3.25Å; K76-L188 WeakPolarHBondContact CB-O 3.4Å; K76-L188 PolarHBondContact N-O 3.06Å; F79-L188 HydrophobicContact CD2-CB 4.35Å; F79-L188 HydrophobicContact CE2-CB 4.05Å; V104-L188 HydrophobicContact CB-CD1 4Å; V104-L188 HydrophobicContact CG2-CD1 3.67Å; V105-L188 HydrophobicContact CG2-CD1 4.17Å; L108-L188 HydrophobicContact CD1-CD1 3.8Å; L108-L188 HydrophobicContact CD1-CD2 3.99Å; L108-L188 HydrophobicContact CD1-CG 3.85Å; S175-L188 PolarHBondContact OG-O 3.25Å; L188-L247 HydrophobicContact CD2-CD1 3.64Å
189G98.7Very high98.3Very high0 Ų018.5 Ų18.50%011%0.109CC..EExtended strand (participates in β ladder)trans-114-179165.900000111F79 G231F79-G189 VanDerWaalsContact CE2-O 3.31Å; F79-G189 WeakPolarHBondContact CE2-O 3.11Å; F79-G189 WeakPolarHBondContact CZ-O 3.29Å; G189-G231 PolarHBondContact N-O 2.97Å; G189-G231 PolarHBondContact O-N 2.86Å
190S98.7Very high98.3Very high2 Ų218.6 Ų18.61%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-124.9145164.670.10000108.8K76 N78 S172 S195 T196K76-S190 PolarHBondContact NZ-OG 2.56Å; N78-S190 PolarHBondContact ND2-OG 3.3Å; S172-S190 PolarHBondContact OG-N 2.88Å; S172-S190 PolarHBondContact OG-O 3.18Å; S190-S195 CarbonylContact O-C 3.43Å; S190-S195 WeakPolarHBondContact O-CB 3.27Å; S190-T196 VanDerWaalsContact C-OG1 3.27Å; S190-T196 PolarHBondContact O-N 3.07Å; S190-T196 PolarHBondContact O-OG1 3.25Å; S190-T196 VanDerWaalsContact O-OG1 3.1Å
191D98.7Very high98.3Very high0 Ų021.9 Ų21.90%014%0.138CC..EExtended strand (participates in β ladder)trans-128.8110.2178.6-159.1-61.2000109.2G194 S195 T196 R197 K209 V229D191-G194 WeakPolarHBondContact OD1-CA 3.36Å; D191-G194 PolarHBondContact OD1-N 2.87Å; D191-G194 WeakPolarHBondContact OD2-CA 3.44Å; D191-S195 PolarHBondContact OD1-N 3.45Å; D191-S195 PolarHBondContact OD2-N 3.41Å; D191-T196 WeakPolarHBondContact OD2-CB 3.44Å; D191-T196 PolarHBondContact OD2-N 3.11Å; D191-R197 IonicContact OD1-CZ 2.72Å; D191-R197 IonicContact OD1-NE 3.88Å; D191-R197 IonicContact OD1-NH2 2.7Å; D191-R197 PolarHBondContact OD1-NH2 2.99Å; D191-R197 PolarHBondContact OD2-N 3.22Å; D191-R197 VanDerWaalsContact OD2-N 3.1Å; D191-R197 IonicContact OD2-NE 2.65Å; D191-R197 PolarHBondContact OD2-NE 3.31Å; D191-R197 IonicContact OD2-NH2 3.28Å; D191-K209 HydrophobicContact CB-CB 4.18Å; D191-K209 HydrophobicContact CB-CD 3.8Å; D191-K209 HydrophobicContact CB-CG 3.71Å; D191-K209 WeakPolarHBondContact OD1-CD 3.19Å; D191-V229 PolarHBondContact N-O 3.16Å; D191-V229 PolarHBondContact O-N 3.11Å
192T98.2Very high98.2Very high16 Ų1625.4 Ų25.410%0.09815%0.152CC..SBendtrans-103.1-52.3174-46.90000109.5L223 V224 M227 D228T192-L223 HydrophobicContact CG2-CD2 4.08Å; T192-L223 HydrophobicContact CG2-CG 4.22Å; T192-V224 HydrophobicContact CG2-CB 3.78Å; T192-V224 HydrophobicContact CG2-CG2 4.14Å; T192-M227 HydrophobicContact CG2-CB 3.76Å; T192-M227 VanDerWaalsContact O-CE 3.23Å; T192-M227 WeakPolarHBondContact O-CE 3.42Å; T192-D228 WeakPolarHBondContact CB-OD1 3.23Å; T192-D228 WeakPolarHBondContact CG2-OD1 3.38Å; T192-D228 PolarHBondContact OG1-OD1 3.03Å
193G96.5Very high98.1Very high67 Ų6721.5 Ų21.569%0.69114%0.135SC*.SBendtrans-123.818.3179.900000114.4
194G97.4Very high98Very high10 Ų1024.2 Ų24.210%0.10316%0.163CC..SBendtrans123.92.4-169.400000113.8D191 T196 R197 N198D191-G194 WeakPolarHBondContact OD1-CA 3.36Å; D191-G194 PolarHBondContact OD1-N 2.87Å; D191-G194 WeakPolarHBondContact OD2-CA 3.44Å; G194-T196 PolarHBondContact O-N 3.13Å; G194-R197 PolarHBondContact O-N 3.28Å; G194-R197 VanDerWaalsContact O-N 3.07Å; G194-N198 WeakPolarHBondContact O-CB 3.42Å; G194-N198 PolarHBondContact O-N 2.93Å
195S98.1Very high98Very high10 Ų1025.4 Ų25.47%0.0717%0.17CC..THydrogen-bonded Turntrans-67.2-4.1-166.4-51.90000116.2G170 S171 S172 S190 D191 P199G170-S195 WeakPolarHBondContact O-CA 3.48Å; S171-S195 VanDerWaalsContact N-CB 3.35Å; S171-S195 WeakPolarHBondContact OG-CB 3.35Å; S171-S195 PolarHBondContact OG-OG 3.11Å; S172-S195 WeakPolarHBondContact CB-O 3.17Å; S172-S195 PolarHBondContact N-O 3.47Å; S172-S195 VanDerWaalsContact N-O 3.07Å; S172-S195 PolarHBondContact OG-O 3.09Å; S190-S195 CarbonylContact O-C 3.43Å; S190-S195 WeakPolarHBondContact O-CB 3.27Å; D191-S195 PolarHBondContact OD1-N 3.45Å; D191-S195 PolarHBondContact OD2-N 3.41Å; S195-P199 VanDerWaalsContact O-CG 3.26Å; S195-P199 WeakPolarHBondContact O-CG 3.31Å
196T98.7Very high98Very high0 Ų027.1 Ų27.10%018%0.18CC..THydrogen-bonded Turntrans-107.6-44.5166.3-65.80000111.3S190 D191 G194 P199 A200 L233S190-T196 VanDerWaalsContact C-OG1 3.27Å; S190-T196 PolarHBondContact O-N 3.07Å; S190-T196 PolarHBondContact O-OG1 3.25Å; S190-T196 VanDerWaalsContact O-OG1 3.1Å; D191-T196 WeakPolarHBondContact OD2-CB 3.44Å; D191-T196 PolarHBondContact OD2-N 3.11Å; G194-T196 PolarHBondContact O-N 3.13Å; T196-P199 WeakPolarHBondContact O-CD 3.35Å; T196-P199 WeakPolarHBondContact O-CG 3.26Å; T196-A200 WeakPolarHBondContact O-CB 3.23Å; T196-A200 PolarHBondContact O-N 3.45Å; T196-L233 HydrophobicContact CG2-CD1 3.84Å; T196-L233 HydrophobicContact CG2-CG 3.99Å
197R98.6Very high98Very high120 Ų12028 Ų2845%0.45319%0.19SC..Hα-helixtrans-68.7-41.4-177.7-68.6168.7-68.4143.8-0.6113.3D191 G194 A200 A201 G207 K209D191-R197 IonicContact OD1-CZ 2.72Å; D191-R197 IonicContact OD1-NE 3.88Å; D191-R197 IonicContact OD1-NH2 2.7Å; D191-R197 PolarHBondContact OD1-NH2 2.99Å; D191-R197 PolarHBondContact OD2-N 3.22Å; D191-R197 VanDerWaalsContact OD2-N 3.1Å; D191-R197 IonicContact OD2-NE 2.65Å; D191-R197 PolarHBondContact OD2-NE 3.31Å; D191-R197 IonicContact OD2-NH2 3.28Å; G194-R197 PolarHBondContact O-N 3.28Å; G194-R197 VanDerWaalsContact O-N 3.07Å; R197-A200 PolarHBondContact O-N 3.38Å; R197-A201 WeakPolarHBondContact O-CB 3.46Å; R197-A201 PolarHBondContact O-N 3.45Å; R197-G207 WeakPolarHBondContact CG-O 3.33Å; R197-K209 HydrophobicContact CG-CB 4.42Å
198N98.1Very high97.9Very high48 Ų4831.8 Ų31.826%0.25721%0.206SC..Hα-helixtrans-59.1-56.5177.5171-96.4000111.6S128 G169 G170 G194 A200 A201 H202S128-N198 PolarHBondContact O-OD1 3.1Å; G169-N198 WeakPolarHBondContact CA-OD1 3.42Å; G170-N198 PolarHBondContact N-OD1 3.5Å; G170-N198 PolarHBondContact O-OD1 2.79Å; G194-N198 WeakPolarHBondContact O-CB 3.42Å; G194-N198 PolarHBondContact O-N 2.93Å; N198-A200 VanDerWaalsContact C-N 3.29Å; N198-A200 PolarHBondContact O-N 2.97Å; N198-A201 WeakPolarHBondContact O-CB 3.35Å; N198-A201 PolarHBondContact O-N 3.06Å; N198-A201 VanDerWaalsContact O-N 3.16Å; N198-H202 PolarHBondContact ND2-CD2 2.95Å; N198-H202 PolarHBondContact ND2-NE2 3.38Å; N198-H202 PolarHBondContact O-CD2 3.07Å; N198-H202 PolarHBondContact O-N 3.22Å; N198-H202 VanDerWaalsContact O-N 3.11Å
199P98.3Very high97.9Very high0 Ų034.9 Ų34.90%022%0.219CC..Hα-helixtrans-67.1-30.5179.725.3-34.5000113.3T168 A176 S195 T196 A201 H202 C203T168-P199 WeakPolarHBondContact O-CA 3.16Å; T168-P199 WeakPolarHBondContact O-CB 3.5Å; A176-P199 HydrophobicContact CB-CB 3.82Å; S195-P199 VanDerWaalsContact O-CG 3.26Å; S195-P199 WeakPolarHBondContact O-CG 3.31Å; T196-P199 WeakPolarHBondContact O-CD 3.35Å; T196-P199 WeakPolarHBondContact O-CG 3.26Å; P199-A201 PolarHBondContact O-N 2.91Å; P199-H202 PolarHBondContact O-N 2.94Å; P199-C203 WeakPolarHBondContact O-CB 3.09Å; P199-C203 PolarHBondContact O-N 2.67Å
200A98.5Very high97.8Very high1 Ų135 Ų351%0.00822%0.22CC..Hα-helixtrans-61.7-43.117200000112.5T196 R197 N198 C203 G204 L205 G207 L233T196-A200 WeakPolarHBondContact O-CB 3.23Å; T196-A200 PolarHBondContact O-N 3.45Å; R197-A200 PolarHBondContact O-N 3.38Å; N198-A200 VanDerWaalsContact C-N 3.29Å; N198-A200 PolarHBondContact O-N 2.97Å; A200-C203 PolarHBondContact O-N 2.76Å; A200-G204 PolarHBondContact O-N 2.87Å; A200-L205 HydrophobicContact CB-CB 4.11Å; A200-L205 PolarHBondContact O-N 3.36Å; A200-G207 VanDerWaalsContact CB-N 3.35Å; A200-L233 HydrophobicContact CB-CD2 4.27Å
201A97.1Very high97.7Very high80 Ų8039 Ų3966%0.66125%0.248SC*.Hα-helixtrans-62.5-43.317600000112R197 N198 P199 C203R197-A201 WeakPolarHBondContact O-CB 3.46Å; R197-A201 PolarHBondContact O-N 3.45Å; N198-A201 WeakPolarHBondContact O-CB 3.35Å; N198-A201 PolarHBondContact O-N 3.06Å; N198-A201 VanDerWaalsContact O-N 3.16Å; P199-A201 PolarHBondContact O-N 2.91Å; A201-C203 VanDerWaalsContact C-N 3.31Å; A201-C203 PolarHBondContact O-N 3.07Å
202H95.3Very high97.6Very high87 Ų8743.3 Ų43.340%0.40327%0.265SS..Hα-helixtrans-68-27.6178-77-72.6000113.8N140 T168 N198 P199N140-H202 PolarHBondContact ND2-O 3.5Å; T168-H202 WeakPolarHBondContact O-CB 3.19Å; N198-H202 PolarHBondContact ND2-CD2 2.95Å; N198-H202 PolarHBondContact ND2-NE2 3.38Å; N198-H202 PolarHBondContact O-CD2 3.07Å; N198-H202 PolarHBondContact O-N 3.22Å; N198-H202 VanDerWaalsContact O-N 3.11Å; P199-H202 PolarHBondContact O-N 2.94Å
203C96.5Very high97.5Very high0 Ų042.7 Ų42.70%026%0.261CS..Hα-helixtrans-104.67.8-177.6-680000114.4W142 A176 S180 P199 A200 A201 L205W142-C203 PolarHBondContact NE1-O 3.18Å; A176-C203 HydrophobicContact CB-CB 3.95Å; S180-C203 PolarHBondContact OG-O 3.35Å; P199-C203 WeakPolarHBondContact O-CB 3.09Å; P199-C203 PolarHBondContact O-N 2.67Å; A200-C203 PolarHBondContact O-N 2.76Å; A201-C203 VanDerWaalsContact C-N 3.31Å; A201-C203 PolarHBondContact O-N 3.07Å; C203-L205 HydrophobicContact CB-CD1 4.27Å; C203-L205 HydrophobicContact CB-CG 4.28Å
204G96.5Very high97.5Very high59 Ų5941.1 Ų41.161%0.60824%0.237SC*.THydrogen-bonded Turntrans66.243.9177.600000113.3A200A200-G204 PolarHBondContact O-N 2.87Å
205L98.3Very high97.5Very high25 Ų2540.8 Ų40.813%0.13123%0.232CC..  trans-122.6167.6-175.6-63.6-179.2000112.4A176 V179 A200 C203 T234 R235A176-L205 HydrophobicContact CB-CD1 4.14Å; A176-L205 VanDerWaalsContact O-CD1 3.29Å; A176-L205 WeakPolarHBondContact O-CD1 3.43Å; V179-L205 HydrophobicContact CB-CD1 3.79Å; V179-L205 HydrophobicContact CG1-CD1 3.88Å; V179-L205 HydrophobicContact CG1-CD2 3.84Å; A200-L205 HydrophobicContact CB-CB 4.11Å; A200-L205 PolarHBondContact O-N 3.36Å; C203-L205 HydrophobicContact CB-CD1 4.27Å; C203-L205 HydrophobicContact CB-CG 4.28Å; L205-T234 WeakPolarHBondContact CB-O 3.46Å; L205-R235 HydrophobicContact CD2-CG 3.95Å
206V98.6Very high97.6Very high37 Ų3740.3 Ų40.322%0.22423%0.229CC..EExtended strand (participates in β ladder)trans-82.8117163.1177.90000108.4L233 T234 V237 A240V206-L233 WeakPolarHBondContact O-CA 3.46Å; V206-T234 PolarHBondContact N-O 2.87Å; V206-T234 PolarHBondContact O-N 3.46Å; V206-V237 HydrophobicContact CG2-CG2 3.97Å; V206-A240 HydrophobicContact CG1-CB 4.07Å
207G98.6Very high97.5Very high22 Ų2241.8 Ų41.823%0.22724%0.235CC..EExtended strand (participates in β ladder)trans-111.5102.7172.600000110.3R197 A200R197-G207 WeakPolarHBondContact CG-O 3.33Å; A200-G207 VanDerWaalsContact CB-N 3.35Å
208F98.6Very high97.6Very high82 Ų8238.5 Ų38.536%0.3622%0.224SC..EExtended strand (participates in β ladder)trans-99.4120.7-178-172.4-108000110.8P210 G231 I232 A240 L244F208-P210 HydrophobicContact CD1-CG 3.9Å; F208-P210 HydrophobicContact CE1-CB 4.05Å; F208-P210 HydrophobicContact CE1-CG 3.78Å; F208-P210 WeakPolarHBondContact O-CD 3.37Å; F208-G231 WeakPolarHBondContact O-CA 3.29Å; F208-I232 HydrophobicContact CB-CB 4.4Å; F208-I232 HydrophobicContact CD1-CD1 4.36Å; F208-I232 PolarHBondContact N-O 3.44Å; F208-I232 PolarHBondContact O-N 3.37Å; F208-A240 HydrophobicContact CB-CB 4.45Å; F208-L244 HydrophobicContact CD1-CD2 4.3Å; F208-L244 HydrophobicContact CE1-CD1 4.04Å; F208-L244 HydrophobicContact CE1-CD2 3.5Å; F208-L244 HydrophobicContact CE1-CG 4.32Å; F208-L244 HydrophobicContact CZ-CD2 4.05Å
209K98.4Very high97.6Very high67 Ų6736.6 Ų36.629%0.29122%0.216SC..  trans-103.8105.9168.1-175-164.474.662.10108.8D191 R197 V229D191-K209 HydrophobicContact CB-CB 4.18Å; D191-K209 HydrophobicContact CB-CD 3.8Å; D191-K209 HydrophobicContact CB-CG 3.71Å; D191-K209 WeakPolarHBondContact OD1-CD 3.19Å; R197-K209 HydrophobicContact CG-CB 4.42Å; K209-V229 HydrophobicContact CD-CB 4.49Å; K209-V229 HydrophobicContact CG-CB 4Å; K209-V229 HydrophobicContact CG-CG1 4.14Å; K209-V229 HydrophobicContact CG-CG2 4.5Å
210P96.6Very high97.6Very high2 Ų237.3 Ų37.31%0.01322%0.22CC..PPolyproline II helixtrans-56.2169175.1-23.532.4000113.8F208 L214 V215 V229 P230 L244F208-P210 HydrophobicContact CD1-CG 3.9Å; F208-P210 HydrophobicContact CE1-CB 4.05Å; F208-P210 HydrophobicContact CE1-CG 3.78Å; F208-P210 WeakPolarHBondContact O-CD 3.37Å; P210-L214 HydrophobicContact CB-CB 4.35Å; P210-L214 HydrophobicContact CB-CD2 4.26Å; P210-V215 HydrophobicContact CB-CG2 4.19Å; P210-V215 HydrophobicContact CG-CG2 3.95Å; P210-V229 HydrophobicContact CB-CG1 4.18Å; P210-V229 HydrophobicContact CG-CG1 4.33Å; P210-P230 WeakPolarHBondContact CD-O 3.28Å; P210-L244 HydrophobicContact CB-CD1 4.35Å; P210-L244 HydrophobicContact CG-CD1 3.96Å
211S96.3Very high97.6Very high86 Ų8639 Ų3960%0.60123%0.228SC*.PPolyproline II helixtrans-58.8140.6164.4-60.40000110G213 L214S211-G213 PolarHBondContact O-N 3.01Å; S211-L214 WeakPolarHBondContact O-CB 3.08Å; S211-L214 PolarHBondContact O-N 2.86Å; S211-L214 VanDerWaalsContact O-N 3.07Å
212Y97.6Very high97.6Very high91 Ų9138.2 Ų38.236%0.35722%0.217SC..THydrogen-bonded Turntrans-57.6132.2175.1-178.2-90.1000109.8L214 R217 N225 V229Y212-L214 VanDerWaalsContact C-N 3.33Å; Y212-L214 PolarHBondContact O-N 3.45Å; Y212-R217 PolarHBondContact OH-NH2 3.2Å; Y212-N225 WeakPolarHBondContact CE2-O 3.22Å; Y212-N225 PolarHBondContact OH-O 3.08Å; Y212-V229 HydrophobicContact CD2-CG2 3.92Å
213G96.3Very high97.7Very high2 Ų236.6 Ų36.62%0.02121%0.211CC..THydrogen-bonded Turntrans84.4-10.3-176.300000115.7S211 V215 T256 T257 V258S211-G213 PolarHBondContact O-N 3.01Å; G213-V215 VanDerWaalsContact C-N 3.32Å; G213-T256 VanDerWaalsContact CA-O 3.31Å; G213-T256 WeakPolarHBondContact CA-O 3.11Å; G213-T257 CarbonylContact O-C 3.6Å; G213-T257 VanDerWaalsContact O-CA 3.23Å; G213-T257 WeakPolarHBondContact O-CA 3.36Å; G213-V258 WeakPolarHBondContact O-CG2 3.29Å; G213-V258 PolarHBondContact O-N 3.18Å
214L96.1Very high97.8Very high35 Ų3539.4 Ų39.418%0.18323%0.228CC..SBendtrans-70.7-31.3176.9-178.558.3000112.4P210 S211 Y212 L244 A248 G249 I262P210-L214 HydrophobicContact CB-CB 4.35Å; P210-L214 HydrophobicContact CB-CD2 4.26Å; S211-L214 WeakPolarHBondContact O-CB 3.08Å; S211-L214 PolarHBondContact O-N 2.86Å; S211-L214 VanDerWaalsContact O-N 3.07Å; Y212-L214 VanDerWaalsContact C-N 3.33Å; Y212-L214 PolarHBondContact O-N 3.45Å; L214-L244 HydrophobicContact CD2-CD1 4.23Å; L214-A248 HydrophobicContact CD1-CB 3.98Å; L214-A248 HydrophobicContact CG-CB 4.03Å; L214-A248 WeakPolarHBondContact O-CA 3.27Å; L214-G249 PolarHBondContact O-N 3.1Å; L214-I262 HydrophobicContact CD1-CD1 4.11Å
215V97.5Very high97.7Very high2 Ų241 Ų411%0.01222%0.222CC..SBendtrans-125.3131.4-179.6-178.90000108.5V104 P210 G213 P230 L244 L247V104-V215 HydrophobicContact CG1-CG1 3.25Å; P210-V215 HydrophobicContact CB-CG2 4.19Å; P210-V215 HydrophobicContact CG-CG2 3.95Å; G213-V215 VanDerWaalsContact C-N 3.32Å; V215-P230 HydrophobicContact CG1-CB 3.94Å; V215-P230 HydrophobicContact CG1-CG 4Å; V215-L244 HydrophobicContact CG2-CD1 4.08Å; V215-L247 HydrophobicContact CG1-CB 4.06Å; V215-L247 HydrophobicContact CG2-CB 4.22Å
216S98.4Very high97.6Very high1 Ų144 Ų441%0.00725%0.245CC..  trans-61.8137.8-176.6174.90000113.3H218 P230 D251 D254S216-H218 WeakPolarHBondContact OG-CB 3.23Å; S216-H218 PolarHBondContact OG-N 3.47Å; S216-P230 VanDerWaalsContact O-CG 3.32Å; S216-P230 WeakPolarHBondContact O-CG 3.17Å; S216-D251 VanDerWaalsContact CB-OD2 3.3Å; S216-D251 WeakPolarHBondContact CB-OD2 3.46Å; S216-D251 PolarHBondContact OG-OD2 2.87Å; S216-D254 WeakPolarHBondContact OG-CB 3.35Å
217R98.6Very high97.6Very high30 Ų3046.8 Ų46.811%0.11326%0.257CS..  trans-93.4-1.2172.4-55.7-179.9-55.8107.81.6112.2Y212 G219 L220 N225 D228 D254 T256Y212-R217 PolarHBondContact OH-NH2 3.2Å; R217-G219 PolarHBondContact O-N 3.39Å; R217-G219 VanDerWaalsContact O-N 3.16Å; R217-L220 VanDerWaalsContact O-CB 3.31Å; R217-L220 WeakPolarHBondContact O-CB 3.2Å; R217-L220 PolarHBondContact O-N 3.28Å; R217-N225 PolarHBondContact NH1-O 2.89Å; R217-N225 PolarHBondContact NH1-OD1 3.34Å; R217-D228 WeakPolarHBondContact CD-O 3.34Å; R217-D254 WeakPolarHBondContact CB-OD2 3.46Å; R217-D254 PolarHBondContact N-OD2 3.03Å; R217-D254 IonicContact NH2-OD1 2.98Å; R217-T256 PolarHBondContact NE-OG1 3.33Å; R217-T256 VanDerWaalsContact NE-OG1 3.1Å; R217-T256 PolarHBondContact NH2-OG1 3.32Å
218H98.8Very high97.5Very high51 Ų5145.9 Ų45.924%0.23625%0.247CC..THydrogen-bonded Turntrans-59.3122.7178.9-178.780.9000111.1Y100 A102 T103 S216 L220 D251 R253 D254Y100-H218 AromaticContact CD2-NE2 3.98Å; Y100-H218 AromaticContact CE2-NE2 3.84Å; A102-H218 CarbonylContact C-O 3.54Å; A102-H218 VanDerWaalsContact CA-O 3.27Å; A102-H218 WeakPolarHBondContact CA-O 3.19Å; A102-H218 WeakPolarHBondContact CB-O 3.39Å; T103-H218 PolarHBondContact N-O 2.82Å; S216-H218 WeakPolarHBondContact OG-CB 3.23Å; S216-H218 PolarHBondContact OG-N 3.47Å; H218-L220 VanDerWaalsContact C-N 3.31Å; H218-D251 WeakPolarHBondContact CB-OD2 3.36Å; H218-R253 HydrophobicContact CB-CB 4.1Å; H218-R253 WeakPolarHBondContact ND1-CB 3.05Å; H218-R253 PolarHBondContact ND1-O 2.93Å; H218-D254 HydrophobicContact CB-CB 4.24Å
219G98.6Very high97.5Very high8 Ų842.1 Ų42.18%0.08223%0.231CC..THydrogen-bonded Turntrans80-0.7-176.100000115.7S80 R217S80-G219 WeakPolarHBondContact CB-O 3.37Å; S80-G219 PolarHBondContact N-O 2.93Å; S80-G219 PolarHBondContact OG-O 3.06Å; S80-G219 VanDerWaalsContact OG-O 3.06Å; R217-G219 PolarHBondContact O-N 3.39Å; R217-G219 VanDerWaalsContact O-N 3.16Å
220L98.8Very high97.6Very high15 Ų1539 Ų398%0.07922%0.218CC..BIsolated β-bridgetrans-76.5120.3160.9170.957.4000108.1N78 F79 R217 H218 P222 D228 P230N78-L220 HydrophobicContact CB-CD1 4.39Å; N78-L220 WeakPolarHBondContact ND2-CD1 3.48Å; F79-L220 HydrophobicContact CD1-CB 3.97Å; F79-L220 HydrophobicContact CD1-CD1 4.03Å; F79-L220 HydrophobicContact CE1-CB 3.82Å; F79-L220 HydrophobicContact CE1-CD1 3.74Å; F79-L220 HydrophobicContact CE1-CD2 4.16Å; F79-L220 HydrophobicContact CE1-CG 4.11Å; F79-L220 HydrophobicContact CE2-CD1 4.27Å; F79-L220 HydrophobicContact CG-CD1 4.44Å; F79-L220 HydrophobicContact CZ-CD1 3.86Å; F79-L220 HydrophobicContact CZ-CD2 4.4Å; R217-L220 VanDerWaalsContact O-CB 3.31Å; R217-L220 WeakPolarHBondContact O-CB 3.2Å; R217-L220 PolarHBondContact O-N 3.28Å; H218-L220 VanDerWaalsContact C-N 3.31Å; L220-P222 WeakPolarHBondContact O-CD 3.37Å; L220-D228 HydrophobicContact CD2-CB 4.24Å; L220-P230 HydrophobicContact CD2-CG 4.25Å
221I98.7Very high97.7Very high36 Ų3639 Ų3919%0.18522%0.217CC..PPolyproline II helixtrans-69117.9174.3-63166.5000107.4N78 T86 C88 L93 Y96 F124N78-I221 PolarHBondContact O-N 3.45Å; T86-I221 HydrophobicContact CG2-CD1 3.65Å; C88-I221 WeakPolarHBondContact SG-CD1 3.42Å; L93-I221 HydrophobicContact CD1-CD1 3.84Å; Y96-I221 HydrophobicContact CE1-CD1 4.38Å; F124-I221 HydrophobicContact CD1-CG2 4.4Å; F124-I221 HydrophobicContact CE1-CG2 4.33Å
222P97.1Very high97.8Very high64 Ų6434.9 Ų34.942%0.41619%0.189SC..PPolyproline II helixtrans-77.3149.9-16530.3-35.8000112.7L220 D228L220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-D228 WeakPolarHBondContact CA-OD2 3.13Å
223L97.3Very high97.8Very high54 Ų5430.6 Ų30.628%0.28317%0.172SC..SBendtrans-104-59.6162.7171.556.1000109.5A125 M126 T192 D228A125-L223 HydrophobicContact CB-CD2 4.25Å; M126-L223 HydrophobicContact CE-CD1 3.42Å; M126-L223 VanDerWaalsContact CE-CD1 3.42Å; M126-L223 HydrophobicContact CG-CD1 3.47Å; M126-L223 VanDerWaalsContact CG-CD1 3.47Å; M126-L223 HydrophobicContact CG-CD2 4.42Å; M126-L223 HydrophobicContact SD-CD1 4.22Å; T192-L223 HydrophobicContact CG2-CD2 4.08Å; T192-L223 HydrophobicContact CG2-CG 4.22Å; L223-D228 PolarHBondContact N-OD2 3.05Å
224V97.7Very high98Very high58 Ų5830.5 Ų30.535%0.35217%0.171SC..  trans-136.8103.9173.6179.30000109.2T192 S226 M227 D228T192-V224 HydrophobicContact CG2-CB 3.78Å; T192-V224 HydrophobicContact CG2-CG2 4.14Å; V224-S226 PolarHBondContact O-N 3.15Å; V224-M227 HydrophobicContact CB-CB 4.27Å; V224-M227 HydrophobicContact CG1-CB 4.13Å; V224-M227 HydrophobicContact CG1-CG 4.05Å; V224-M227 HydrophobicContact CG1-SD 4.02Å; V224-M227 PolarHBondContact O-N 2.91Å; V224-D228 PolarHBondContact N-OD1 3.22Å; V224-D228 VanDerWaalsContact N-OD1 3.08Å; V224-D228 PolarHBondContact N-OD2 3.37Å; V224-D228 PolarHBondContact O-N 3.48Å
225N95.1Very high98Very high92 Ų9231.2 Ų31.249%0.49217%0.171SC..THydrogen-bonded Turntrans-52.3-33.6-172.7-82.8-64.8000115.7Y212 R217 M227Y212-N225 WeakPolarHBondContact CE2-O 3.22Å; Y212-N225 PolarHBondContact OH-O 3.08Å; R217-N225 PolarHBondContact NH1-O 2.89Å; R217-N225 PolarHBondContact NH1-OD1 3.34Å; N225-M227 VanDerWaalsContact C-N 3.26Å; N225-M227 PolarHBondContact O-N 3.08Å
226S96.6Very high97.9Very high89 Ų8932.9 Ų32.962%0.62218%0.183SC*.THydrogen-bonded Turntrans-80-4.5179.7560000114V224V224-S226 PolarHBondContact O-N 3.15Å
227M97.5Very high97.8Very high95 Ų9536.9 Ų36.947%0.46821%0.207SC..THydrogen-bonded Turntrans-129.7-27.7-173.6-66.8177.96300113T192 V224 N225 V229T192-M227 HydrophobicContact CG2-CB 3.76Å; T192-M227 VanDerWaalsContact O-CE 3.23Å; T192-M227 WeakPolarHBondContact O-CE 3.42Å; V224-M227 HydrophobicContact CB-CB 4.27Å; V224-M227 HydrophobicContact CG1-CB 4.13Å; V224-M227 HydrophobicContact CG1-CG 4.05Å; V224-M227 HydrophobicContact CG1-SD 4.02Å; V224-M227 PolarHBondContact O-N 2.91Å; N225-M227 VanDerWaalsContact C-N 3.26Å; N225-M227 PolarHBondContact O-N 3.08Å; M227-V229 PolarHBondContact O-N 2.9Å
228D98.2Very high97.5Very high3 Ų338.1 Ų38.12%0.01622%0.216CC..  trans-60.3124.8-177.8-65.3-20.9000111.4T192 R217 L220 P222 L223 V224T192-D228 WeakPolarHBondContact CB-OD1 3.23Å; T192-D228 WeakPolarHBondContact CG2-OD1 3.38Å; T192-D228 PolarHBondContact OG1-OD1 3.03Å; R217-D228 WeakPolarHBondContact CD-O 3.34Å; L220-D228 HydrophobicContact CD2-CB 4.24Å; P222-D228 WeakPolarHBondContact CA-OD2 3.13Å; L223-D228 PolarHBondContact N-OD2 3.05Å; V224-D228 PolarHBondContact N-OD1 3.22Å; V224-D228 VanDerWaalsContact N-OD1 3.08Å; V224-D228 PolarHBondContact N-OD2 3.37Å; V224-D228 PolarHBondContact O-N 3.48Å
229V98.6Very high97.4Very high4 Ų435.7 Ų35.72%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-131.2130.7171.6-176.90000108.9D191 K209 P210 Y212 M227 G231D191-V229 PolarHBondContact N-O 3.16Å; D191-V229 PolarHBondContact O-N 3.11Å; K209-V229 HydrophobicContact CD-CB 4.49Å; K209-V229 HydrophobicContact CG-CB 4Å; K209-V229 HydrophobicContact CG-CG1 4.14Å; K209-V229 HydrophobicContact CG-CG2 4.5Å; P210-V229 HydrophobicContact CB-CG1 4.18Å; P210-V229 HydrophobicContact CG-CG1 4.33Å; Y212-V229 HydrophobicContact CD2-CG2 3.92Å; M227-V229 PolarHBondContact O-N 2.9Å; V229-G231 PolarHBondContact O-N 3.32Å
230P98.8Very high97.3Very high2 Ų235.5 Ų35.51%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-58.6121.4167.2-22.533.3000110.1F79 V104 P210 V215 S216 L220F79-P230 HydrophobicContact CE1-CB 4.03Å; F79-P230 HydrophobicContact CE1-CG 4.18Å; F79-P230 HydrophobicContact CZ-CB 3.98Å; V104-P230 HydrophobicContact CG1-CB 4.1Å; V104-P230 HydrophobicContact CG1-CG 4.17Å; P210-P230 WeakPolarHBondContact CD-O 3.28Å; V215-P230 HydrophobicContact CG1-CB 3.94Å; V215-P230 HydrophobicContact CG1-CG 4Å; S216-P230 VanDerWaalsContact O-CG 3.32Å; S216-P230 WeakPolarHBondContact O-CG 3.17Å; L220-P230 HydrophobicContact CD2-CG 4.25Å
231G98.6Very high97.2Very high0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-102.1160.4-178.700000112.1G189 F208 V229G189-G231 PolarHBondContact N-O 2.97Å; G189-G231 PolarHBondContact O-N 2.86Å; F208-G231 WeakPolarHBondContact O-CA 3.29Å; V229-G231 PolarHBondContact O-N 3.32Å
232I98.9Very high97Very high1 Ų134.7 Ų34.71%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-120.5130.4-179.6-60166.7000108.3F208 T234 A240 V243 L244 L247F208-I232 HydrophobicContact CB-CB 4.4Å; F208-I232 HydrophobicContact CD1-CD1 4.36Å; F208-I232 PolarHBondContact N-O 3.44Å; F208-I232 PolarHBondContact O-N 3.37Å; I232-T234 HydrophobicContact CG2-CG2 3.96Å; I232-A240 HydrophobicContact CG2-CB 4.33Å; I232-V243 HydrophobicContact CD1-CB 4.32Å; I232-V243 HydrophobicContact CD1-CG1 3.95Å; I232-V243 HydrophobicContact CG1-CG1 3.98Å; I232-V243 HydrophobicContact CG2-CB 3.95Å; I232-V243 HydrophobicContact CG2-CG1 3.8Å; I232-L244 HydrophobicContact CD1-CB 3.81Å; I232-L244 HydrophobicContact CD1-CD1 4.16Å; I232-L247 HydrophobicContact CD1-CD1 3.98Å; I232-L247 HydrophobicContact CG1-CD1 3.95Å
233L98.9Very high97.1Very high0 Ų031.8 Ų31.80%018%0.181CC..EExtended strand (participates in β ladder)trans-116.1126.1171.4-63.296.4000110.3A176 V179 A186 A187 T196 A200 V206A176-L233 HydrophobicContact CB-CD2 3.64Å; V179-L233 HydrophobicContact CG2-CB 4.36Å; A186-L233 CarbonylContact C-O 3.59Å; A186-L233 VanDerWaalsContact CA-O 3.31Å; A186-L233 WeakPolarHBondContact CA-O 3.48Å; A187-L233 PolarHBondContact N-O 3.15Å; A187-L233 PolarHBondContact O-N 3.14Å; T196-L233 HydrophobicContact CG2-CD1 3.84Å; T196-L233 HydrophobicContact CG2-CG 3.99Å; A200-L233 HydrophobicContact CB-CD2 4.27Å; V206-L233 WeakPolarHBondContact O-CA 3.46Å
234T98.7Very high97.1Very high0 Ų029.9 Ų29.90%017%0.171CC..EExtended strand (participates in β ladder)trans-143.8171.617858.70000111A186 L205 V206 I232 C236 D239 A240 V243A186-T234 HydrophobicContact CB-CG2 3.8Å; L205-T234 WeakPolarHBondContact CB-O 3.46Å; V206-T234 PolarHBondContact N-O 2.87Å; V206-T234 PolarHBondContact O-N 3.46Å; I232-T234 HydrophobicContact CG2-CG2 3.96Å; T234-C236 PolarHBondContact OG1-O 3.46Å; T234-D239 HydrophobicContact CG2-CB 3.86Å; T234-A240 HydrophobicContact CG2-CB 4.4Å; T234-A240 WeakPolarHBondContact OG1-CB 3.49Å; T234-A240 PolarHBondContact OG1-N 3.24Å; T234-V243 HydrophobicContact CG2-CG2 4.47Å
235R97.6Very high97Very high50 Ų5028.9 Ų28.919%0.18917%0.173CC..SBendtrans-85.1-22.4176.6-67.1-173.4-67.9-88.80.3113.8L2 R4 V179 C184 Y185 L205L2-R235 PolarHBondContact O-NH2 2.94Å; R4-R235 PolarHBondContact O-NH2 3.08Å; V179-R235 HydrophobicContact CG1-CG 3.81Å; V179-R235 PolarHBondContact O-NH1 3Å; C184-R235 PolarHBondContact O-NH1 3.34Å; Y185-R235 VanDerWaalsContact CE1-NH2 3.25Å; L205-R235 HydrophobicContact CD2-CG 3.95Å
236C95.3Very high97Very high38 Ų3825.4 Ų25.426%0.25716%0.156SC..SBendtrans-142.8165.5176.569.60000112T234 D239 A240T234-C236 PolarHBondContact OG1-O 3.46Å; C236-D239 PolarHBondContact O-N 2.62Å; C236-D239 PolarHBondContact SG-OD2 2.81Å; C236-D239 VanDerWaalsContact SG-OD2 3.37Å; C236-A240 PolarHBondContact O-N 3.42Å
237V95Very high97Very high85 Ų8521.2 Ų21.252%0.51513%0.127SC..Hα-helixtrans-69.9-38.9-173.3-173.50000111.5V206 D239 A240 A241 L268V206-V237 HydrophobicContact CG2-CG2 3.97Å; V237-D239 VanDerWaalsContact C-N 3.3Å; V237-D239 PolarHBondContact O-N 2.99Å; V237-A240 WeakPolarHBondContact O-CB 3.31Å; V237-A240 PolarHBondContact O-N 2.92Å; V237-A240 VanDerWaalsContact O-N 3.14Å; V237-A241 PolarHBondContact O-N 3.13Å; V237-L268 HydrophobicContact CB-CD1 4.4Å; V237-L268 HydrophobicContact CG1-CD1 3.62Å
238D93.1Very high97Very high56 Ų5617.3 Ų17.330%0.29911%0.11SC..Hα-helixtrans-56.2-43175.1-70.7-100.6000112.7R7 A240 A241 I242R7-D238 IonicContact CZ-OD1 3.84Å; R7-D238 IonicContact NH1-OD1 3.06Å; R7-D238 IonicContact NH2-OD1 3.9Å; R7-D238 PolarHBondContact NH2-OD1 3.17Å; D238-A240 VanDerWaalsContact C-N 3.34Å; D238-A241 PolarHBondContact O-N 3.19Å; D238-I242 WeakPolarHBondContact O-CG1 3.5Å; D238-I242 PolarHBondContact O-N 3.16Å
239D96Very high96.7Very high0 Ų017.5 Ų17.50%011%0.112CC..Hα-helixtrans-66.5-38.2178.8-67.4-7.3000111L6 R7 T234 C236 V237 A241 I242 V243L6-D239 HydrophobicContact CB-CB 3.98Å; L6-D239 VanDerWaalsContact CB-OD1 3.24Å; L6-D239 WeakPolarHBondContact CB-OD1 3.35Å; L6-D239 WeakPolarHBondContact CB-OD2 3.33Å; L6-D239 VanDerWaalsContact N-CG 3.26Å; L6-D239 PolarHBondContact N-OD1 2.89Å; L6-D239 VanDerWaalsContact N-OD1 3.09Å; L6-D239 PolarHBondContact N-OD2 3.45Å; R7-D239 PolarHBondContact N-OD1 3.4Å; T234-D239 HydrophobicContact CG2-CB 3.86Å; C236-D239 PolarHBondContact O-N 2.62Å; C236-D239 PolarHBondContact SG-OD2 2.81Å; C236-D239 VanDerWaalsContact SG-OD2 3.37Å; V237-D239 VanDerWaalsContact C-N 3.3Å; V237-D239 PolarHBondContact O-N 2.99Å; D239-A241 VanDerWaalsContact C-N 3.29Å; D239-A241 PolarHBondContact O-N 3.11Å; D239-I242 PolarHBondContact O-N 3.03Å; D239-V243 WeakPolarHBondContact O-CG2 3.39Å; D239-V243 PolarHBondContact O-N 3.42Å
240A97Very high96.5Very high4 Ų420.4 Ų20.43%0.03313%0.132CC..Hα-helixtrans-63.5-38.2175.600000111.4V206 F208 I232 T234 C236 V237 D238 V243 L244V206-A240 HydrophobicContact CG1-CB 4.07Å; F208-A240 HydrophobicContact CB-CB 4.45Å; I232-A240 HydrophobicContact CG2-CB 4.33Å; T234-A240 HydrophobicContact CG2-CB 4.4Å; T234-A240 WeakPolarHBondContact OG1-CB 3.49Å; T234-A240 PolarHBondContact OG1-N 3.24Å; C236-A240 PolarHBondContact O-N 3.42Å; V237-A240 WeakPolarHBondContact O-CB 3.31Å; V237-A240 PolarHBondContact O-N 2.92Å; V237-A240 VanDerWaalsContact O-N 3.14Å; D238-A240 VanDerWaalsContact C-N 3.34Å; A240-V243 PolarHBondContact O-N 3.32Å; A240-L244 VanDerWaalsContact O-CB 3.28Å; A240-L244 WeakPolarHBondContact O-CB 3.5Å; A240-L244 PolarHBondContact O-N 2.99Å
241A95.9Very high96.4Very high13 Ų1320.6 Ų20.611%0.10713%0.133CC..Hα-helixtrans-67.3-40.7177.800000112.2V237 D238 D239 L244 G245 F266 L268V237-A241 PolarHBondContact O-N 3.13Å; D238-A241 PolarHBondContact O-N 3.19Å; D239-A241 VanDerWaalsContact C-N 3.29Å; D239-A241 PolarHBondContact O-N 3.11Å; A241-L244 PolarHBondContact O-N 2.88Å; A241-G245 PolarHBondContact O-N 2.84Å; A241-F266 WeakPolarHBondContact CB-O 3.13Å; A241-F266 WeakPolarHBondContact O-CB 3.37Å; A241-L268 HydrophobicContact CB-CD1 3.9Å; A241-L268 HydrophobicContact CB-CG 4Å
242I96Very high96.3Very high21 Ų2126.9 Ų26.911%0.10817%0.173CC..Hα-helixtrans-59.7-49.6173.7-68166.5000110.6L6 R7 D67 L68 D238 D239 L244 G245 A246L6-I242 HydrophobicContact CD2-CD1 3.96Å; L6-I242 HydrophobicContact CD2-CG2 3.93Å; R7-I242 HydrophobicContact CB-CD1 4.01Å; D67-I242 HydrophobicContact CB-CG2 4.1Å; L68-I242 HydrophobicContact CD2-CG2 4.07Å; L68-I242 HydrophobicContact CG-CG2 4.25Å; D238-I242 WeakPolarHBondContact O-CG1 3.5Å; D238-I242 PolarHBondContact O-N 3.16Å; D239-I242 PolarHBondContact O-N 3.03Å; I242-L244 PolarHBondContact O-N 3.38Å; I242-G245 PolarHBondContact O-N 3.22Å; I242-A246 PolarHBondContact O-N 3.04Å
243V97.9Very high96.2Very high3 Ų332.7 Ų32.72%0.01820%0.195CC..Hα-helixtrans-64.3-42.4179.7176.70000110.8L6 L68 L108 A186 I232 T234 D239 A240 G245 A246 L247L6-V243 HydrophobicContact CD1-CG2 4.25Å; L68-V243 HydrophobicContact CD2-CG2 4.36Å; L108-V243 HydrophobicContact CD2-CG1 4.31Å; A186-V243 HydrophobicContact CB-CG2 3.72Å; I232-V243 HydrophobicContact CD1-CB 4.32Å; I232-V243 HydrophobicContact CD1-CG1 3.95Å; I232-V243 HydrophobicContact CG1-CG1 3.98Å; I232-V243 HydrophobicContact CG2-CB 3.95Å; I232-V243 HydrophobicContact CG2-CG1 3.8Å; T234-V243 HydrophobicContact CG2-CG2 4.47Å; D239-V243 WeakPolarHBondContact O-CG2 3.39Å; D239-V243 PolarHBondContact O-N 3.42Å; A240-V243 PolarHBondContact O-N 3.32Å; V243-G245 VanDerWaalsContact C-N 3.27Å; V243-G245 PolarHBondContact O-N 3.5Å; V243-A246 PolarHBondContact O-N 3.48Å; V243-A246 VanDerWaalsContact O-N 3.14Å; V243-L247 HydrophobicContact CG1-CD1 3.76Å; V243-L247 HydrophobicContact CG1-CG 4.29Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 2.95Å; V243-L247 VanDerWaalsContact O-N 3.15Å
244L97.4Very high96.2Very high13 Ų1333.2 Ų33.27%0.06820%0.198CC..Hα-helixtrans-59.1-40.5176.1-179.563000111.6F208 P210 L214 V215 I232 A240 A241 I242 A246 L247 A248 F266F208-L244 HydrophobicContact CD1-CD2 4.3Å; F208-L244 HydrophobicContact CE1-CD1 4.04Å; F208-L244 HydrophobicContact CE1-CD2 3.5Å; F208-L244 HydrophobicContact CE1-CG 4.32Å; F208-L244 HydrophobicContact CZ-CD2 4.05Å; P210-L244 HydrophobicContact CB-CD1 4.35Å; P210-L244 HydrophobicContact CG-CD1 3.96Å; L214-L244 HydrophobicContact CD2-CD1 4.23Å; V215-L244 HydrophobicContact CG2-CD1 4.08Å; I232-L244 HydrophobicContact CD1-CB 3.81Å; I232-L244 HydrophobicContact CD1-CD1 4.16Å; A240-L244 VanDerWaalsContact O-CB 3.28Å; A240-L244 WeakPolarHBondContact O-CB 3.5Å; A240-L244 PolarHBondContact O-N 2.99Å; A241-L244 PolarHBondContact O-N 2.88Å; I242-L244 PolarHBondContact O-N 3.38Å; L244-A246 VanDerWaalsContact C-N 3.27Å; L244-A246 PolarHBondContact O-N 3.5Å; L244-L247 PolarHBondContact O-N 3.38Å; L244-L247 VanDerWaalsContact O-N 3.08Å; L244-A248 HydrophobicContact CD1-CB 4.24Å; L244-A248 VanDerWaalsContact O-CB 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.38Å; L244-A248 PolarHBondContact O-N 2.96Å; L244-F266 HydrophobicContact CD2-CD1 3.47Å; L244-F266 VanDerWaalsContact CD2-CD1 3.47Å; L244-F266 HydrophobicContact CD2-CE1 3.54Å; L244-F266 HydrophobicContact CD2-CG 4.35Å; L244-F266 HydrophobicContact CD2-CZ 4.46Å; L244-F266 HydrophobicContact CG-CD1 3.81Å; L244-F266 HydrophobicContact CG-CE1 3.78Å; L244-F266 HydrophobicContact CG-CG 4.31Å; L244-F266 HydrophobicContact CG-CZ 4.25Å
245G95.5Very high96.1Very high38 Ų3838.6 Ų38.639%0.39224%0.236SC..Hα-helixtrans-61.7-32.4177.100000114.2A241 I242 V243A241-G245 PolarHBondContact O-N 2.84Å; I242-G245 PolarHBondContact O-N 3.22Å; V243-G245 VanDerWaalsContact C-N 3.27Å; V243-G245 PolarHBondContact O-N 3.5Å
246A95.9Very high96.1Very high18 Ų1838.3 Ų38.315%0.14924%0.239CC..Hα-helixtrans-74.4-3117300000113L68 K107 L108 Q111 I242 V243 L244L68-A246 HydrophobicContact CD1-CB 3.52Å; K107-A246 WeakPolarHBondContact CD-O 3.15Å; L108-A246 HydrophobicContact CD2-CB 4.25Å; Q111-A246 HydrophobicContact CG-CB 4.09Å; I242-A246 PolarHBondContact O-N 3.04Å; V243-A246 PolarHBondContact O-N 3.48Å; V243-A246 VanDerWaalsContact O-N 3.14Å; L244-A246 VanDerWaalsContact C-N 3.27Å; L244-A246 PolarHBondContact O-N 3.5Å
247L96.8Very high96.1Very high2 Ų236.7 Ų36.71%0.0123%0.228CC..Hα-helixtrans-93.2-35.1-170.9-66.2-179.9000114.2V104 K107 L108 L188 V215 I232 V243 L244V104-L247 HydrophobicContact CB-CD2 3.79Å; V104-L247 HydrophobicContact CG1-CD2 4.14Å; V104-L247 VanDerWaalsContact O-CD2 3.28Å; V104-L247 WeakPolarHBondContact O-CD2 3.05Å; K107-L247 HydrophobicContact CB-CD2 4.34Å; K107-L247 WeakPolarHBondContact CD-O 3.44Å; K107-L247 PolarHBondContact NZ-O 2.98Å; L108-L247 HydrophobicContact CD1-CD2 4.13Å; L108-L247 HydrophobicContact CD2-CD2 3.97Å; L108-L247 HydrophobicContact CD2-CG 4.35Å; L108-L247 HydrophobicContact CG-CD2 3.74Å; L188-L247 HydrophobicContact CD2-CD1 3.64Å; V215-L247 HydrophobicContact CG1-CB 4.06Å; V215-L247 HydrophobicContact CG2-CB 4.22Å; I232-L247 HydrophobicContact CD1-CD1 3.98Å; I232-L247 HydrophobicContact CG1-CD1 3.95Å; V243-L247 HydrophobicContact CG1-CD1 3.76Å; V243-L247 HydrophobicContact CG1-CG 4.29Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 2.95Å; V243-L247 VanDerWaalsContact O-N 3.15Å; L244-L247 PolarHBondContact O-N 3.38Å; L244-L247 VanDerWaalsContact O-N 3.08Å
248A95.9Very high96Very high12 Ų1236.1 Ų36.110%0.09923%0.225CC..  trans-65.3154.2-170.700000112.4K107 L214 L244 I262 F266K107-A248 PolarHBondContact NZ-O 3.28Å; L214-A248 HydrophobicContact CD1-CB 3.98Å; L214-A248 HydrophobicContact CG-CB 4.03Å; L214-A248 WeakPolarHBondContact O-CA 3.27Å; L244-A248 HydrophobicContact CD1-CB 4.24Å; L244-A248 VanDerWaalsContact O-CB 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.38Å; L244-A248 PolarHBondContact O-N 2.96Å; A248-I262 HydrophobicContact CB-CD1 3.49Å; A248-I262 VanDerWaalsContact CB-CD1 3.49Å; A248-F266 HydrophobicContact CB-CE1 4.48Å; A248-F266 HydrophobicContact CB-CE2 3.61Å; A248-F266 HydrophobicContact CB-CZ 3.47Å; A248-F266 VanDerWaalsContact CB-CZ 3.47Å
249G93.4Very high95.8Very high7 Ų740.2 Ų40.27%0.07224%0.242CC..SBendtrans115166.7171.600000113.6L214 I262L214-G249 PolarHBondContact O-N 3.1Å; G249-I262 VanDerWaalsContact CA-CD1 3.43Å; G249-I262 VanDerWaalsContact N-CD1 3.32Å
250P94.7Very high95.1Very high66 Ų6647.6 Ų47.643%0.42928%0.276SS..  trans-61.8150.8-171.226-35.1000111.8
251D96.4Very high94Very high6 Ų651.7 Ų51.73%0.03230%0.303CS..  trans-135.2117.5171.7177.913.4000109.2T103 S216 H218 R253 D254 T257T103-D251 VanDerWaalsContact CB-OD2 3.24Å; T103-D251 WeakPolarHBondContact CB-OD2 3.36Å; T103-D251 HydrophobicContact CG2-CB 4.22Å; T103-D251 VanDerWaalsContact CG2-OD2 3.3Å; T103-D251 WeakPolarHBondContact CG2-OD2 3.43Å; T103-D251 PolarHBondContact OG1-OD2 3.5Å; S216-D251 VanDerWaalsContact CB-OD2 3.3Å; S216-D251 WeakPolarHBondContact CB-OD2 3.46Å; S216-D251 PolarHBondContact OG-OD2 2.87Å; H218-D251 WeakPolarHBondContact CB-OD2 3.36Å; D251-R253 PolarHBondContact O-N 3.49Å; D251-R253 WeakPolarHBondContact OD1-CB 3.48Å; D251-R253 PolarHBondContact OD1-N 2.86Å; D251-R253 VanDerWaalsContact OD1-N 3.07Å; D251-R253 IonicContact OD1-NE 2.79Å; D251-R253 PolarHBondContact OD1-NE 2.95Å; D251-R253 IonicContact OD1-NH2 3.33Å; D251-R253 IonicContact OD2-NE 2.78Å; D251-D254 HydrophobicContact CB-CB 4.43Å; D251-D254 CarbonylContact O-C 3.58Å; D251-D254 PolarHBondContact O-N 2.85Å; D251-D254 VanDerWaalsContact O-O 3.05Å; D251-T257 HydrophobicContact CB-CG2 4.14Å; D251-T257 PolarHBondContact N-OG1 3.2Å; D251-T257 PolarHBondContact O-OG1 3.37Å
252P96.1Very high93.3Very high132 Ų13254.4 Ų54.486%0.85732%0.315SS*.THydrogen-bonded Turntrans-62.2-15.4179.626.4-35.5000113.5D254P252-D254 VanDerWaalsContact C-N 3.35Å
253R97.6Very high92.1Very high123 Ų12359.9 Ų59.946%0.46434%0.344SS..THydrogen-bonded Turntrans-87.5-4.6176.2-58.2173.4-72.1-179.7-11.4113.7T103 H218 D251T103-R253 VanDerWaalsContact OG1-CZ 3.27Å; T103-R253 PolarHBondContact OG1-NH2 2.94Å; H218-R253 HydrophobicContact CB-CB 4.1Å; H218-R253 WeakPolarHBondContact ND1-CB 3.05Å; H218-R253 PolarHBondContact ND1-O 2.93Å; D251-R253 PolarHBondContact O-N 3.49Å; D251-R253 WeakPolarHBondContact OD1-CB 3.48Å; D251-R253 PolarHBondContact OD1-N 2.86Å; D251-R253 VanDerWaalsContact OD1-N 3.07Å; D251-R253 IonicContact OD1-NE 2.79Å; D251-R253 PolarHBondContact OD1-NE 2.95Å; D251-R253 IonicContact OD1-NH2 3.33Å; D251-R253 IonicContact OD2-NE 2.78Å
254D97.8Very high91Very high11 Ų1167.9 Ų67.96%0.05938%0.379CS..  trans-13198.8174.7-179.42.2000110S216 R217 H218 D251 P252 T256 T257S216-D254 WeakPolarHBondContact OG-CB 3.35Å; R217-D254 WeakPolarHBondContact CB-OD2 3.46Å; R217-D254 PolarHBondContact N-OD2 3.03Å; R217-D254 IonicContact NH2-OD1 2.98Å; H218-D254 HydrophobicContact CB-CB 4.24Å; D251-D254 HydrophobicContact CB-CB 4.43Å; D251-D254 CarbonylContact O-C 3.58Å; D251-D254 PolarHBondContact O-N 2.85Å; D251-D254 VanDerWaalsContact O-O 3.05Å; P252-D254 VanDerWaalsContact C-N 3.35Å; D254-T256 VanDerWaalsContact CG-OG1 3.32Å; D254-T256 PolarHBondContact O-N 3.14Å; D254-T256 WeakPolarHBondContact OD1-CA 3.5Å; D254-T256 WeakPolarHBondContact OD1-CB 3.47Å; D254-T256 PolarHBondContact OD1-N 3.33Å; D254-T256 PolarHBondContact OD1-OG1 3.45Å; D254-T256 PolarHBondContact OD2-OG1 3.16Å; D254-T257 HydrophobicContact CB-CG2 3.9Å; D254-T257 PolarHBondContact O-N 3.38Å; D254-T257 PolarHBondContact O-OG1 3.1Å
255S97.1Very high89.9Confident113 Ų11372.2 Ų72.279%0.7941%0.407SS*.THydrogen-bonded Turntrans-59.9-11.9176.652.80000114.5
256T97.1Very high89.2Confident43 Ų4373.2 Ų73.226%0.26440%0.401SS..THydrogen-bonded Turntrans-91.7-4.9177.167.70000113.2G213 R217 D254G213-T256 VanDerWaalsContact CA-O 3.31Å; G213-T256 WeakPolarHBondContact CA-O 3.11Å; R217-T256 PolarHBondContact NE-OG1 3.33Å; R217-T256 VanDerWaalsContact NE-OG1 3.1Å; R217-T256 PolarHBondContact NH2-OG1 3.32Å; D254-T256 VanDerWaalsContact CG-OG1 3.32Å; D254-T256 PolarHBondContact O-N 3.14Å; D254-T256 WeakPolarHBondContact OD1-CA 3.5Å; D254-T256 WeakPolarHBondContact OD1-CB 3.47Å; D254-T256 PolarHBondContact OD1-N 3.33Å; D254-T256 PolarHBondContact OD1-OG1 3.45Å; D254-T256 PolarHBondContact OD2-OG1 3.16Å
257T96.3Very high88.4Confident5 Ų577.5 Ų77.53%0.03142%0.419CS..SBendtrans-68.8137.9173.756.10000111.3G213 D251 D254G213-T257 CarbonylContact O-C 3.6Å; G213-T257 VanDerWaalsContact O-CA 3.23Å; G213-T257 WeakPolarHBondContact O-CA 3.36Å; D251-T257 HydrophobicContact CB-CG2 4.14Å; D251-T257 PolarHBondContact N-OG1 3.2Å; D251-T257 PolarHBondContact O-OG1 3.37Å; D254-T257 HydrophobicContact CB-CG2 3.9Å; D254-T257 PolarHBondContact O-N 3.38Å; D254-T257 PolarHBondContact O-OG1 3.1Å
258V92.8Very high87.7Confident72 Ų7280.8 Ų80.844%0.43644%0.437SS..  trans-72.3131.8173.9-79.90000109.6G213 E260G213-V258 WeakPolarHBondContact O-CG2 3.29Å; G213-V258 PolarHBondContact O-N 3.18Å; V258-E260 VanDerWaalsContact C-N 3.28Å; V258-E260 PolarHBondContact O-N 2.81Å
259H87.9Confident87Confident143 Ų14384.2 Ų84.266%0.66246%0.458SS*.  trans-85.72.8-179.2-62.6-58.4000113.7
260E81.3Confident86.2Confident155 Ų15590.4 Ų90.472%0.72450%0.5SS*.  trans-63.4130.6177.3-70.3-170.6173.700110.5V258 I262V258-E260 VanDerWaalsContact C-N 3.28Å; V258-E260 PolarHBondContact O-N 2.81Å; E260-I262 PolarHBondContact O-N 2.76Å
261P74.4Confident85.6Confident90 Ų9094.4 Ų94.458%0.58452%0.517SS*.  trans-66.3131.7179.627-33.2000110.1N263P261-N263 VanDerWaalsContact C-N 3.33Å; P261-N263 WeakPolarHBondContact CB-OD1 3.19Å; P261-N263 PolarHBondContact O-N 3.26Å
262I81.1Confident84.9Confident70 Ų7097.1 Ų97.136%0.35954%0.54SS..  trans-76.191.4173.9-60.5177.6000107.7L214 A248 G249 E260 K264 F266L214-I262 HydrophobicContact CD1-CD1 4.11Å; A248-I262 HydrophobicContact CB-CD1 3.49Å; A248-I262 VanDerWaalsContact CB-CD1 3.49Å; G249-I262 VanDerWaalsContact CA-CD1 3.43Å; G249-I262 VanDerWaalsContact N-CD1 3.32Å; E260-I262 PolarHBondContact O-N 2.76Å; I262-K264 VanDerWaalsContact C-N 3.31Å; I262-K264 WeakPolarHBondContact CG2-O 3.4Å; I262-F266 HydrophobicContact CD1-CE2 4.11Å; I262-F266 HydrophobicContact CD1-CZ 4.09Å; I262-F266 HydrophobicContact CG2-CD2 4.48Å; I262-F266 HydrophobicContact CG2-CE2 3.59Å; I262-F266 HydrophobicContact CG2-CZ 3.88Å
263N71.6Confident84.4Confident135 Ų13596.7 Ų96.772%0.72253%0.53SS*.  trans-86.1-1.8-174.4-65.3-32.1000113.7P261P261-N263 VanDerWaalsContact C-N 3.33Å; P261-N263 WeakPolarHBondContact CB-OD1 3.19Å; P261-N263 PolarHBondContact O-N 3.26Å
264K72.9Confident84Confident172 Ų17294.5 Ų94.575%0.74853%0.531SS*.SBendtrans-130.3134.8-178.4-67.4-175.4-179.5178.90110.7I262I262-K264 VanDerWaalsContact C-N 3.31Å; I262-K264 WeakPolarHBondContact CG2-O 3.4Å
265P74.3Confident83.6Confident103 Ų10398.3 Ų98.367%0.66956%0.558SS**  trans-66.8147.8173.830.2-34.2000109.8M267P265-M267 HydrophobicContact CB-CG 4.1Å; P265-M267 PolarHBondContact O-N 2.81Å
266F82.7Confident83.4Confident59 Ų59102 Ų10226%0.25956%0.56SS.*  trans-79.547.9175.2-62.4-88.1000111.3A241 L244 A248 I262A241-F266 WeakPolarHBondContact CB-O 3.13Å; A241-F266 WeakPolarHBondContact O-CB 3.37Å; L244-F266 HydrophobicContact CD2-CD1 3.47Å; L244-F266 VanDerWaalsContact CD2-CD1 3.47Å; L244-F266 HydrophobicContact CD2-CE1 3.54Å; L244-F266 HydrophobicContact CD2-CG 4.35Å; L244-F266 HydrophobicContact CD2-CZ 4.46Å; L244-F266 HydrophobicContact CG-CD1 3.81Å; L244-F266 HydrophobicContact CG-CE1 3.78Å; L244-F266 HydrophobicContact CG-CG 4.31Å; L244-F266 HydrophobicContact CG-CZ 4.25Å; A248-F266 HydrophobicContact CB-CE1 4.48Å; A248-F266 HydrophobicContact CB-CE2 3.61Å; A248-F266 HydrophobicContact CB-CZ 3.47Å; A248-F266 VanDerWaalsContact CB-CZ 3.47Å; I262-F266 HydrophobicContact CD1-CE2 4.11Å; I262-F266 HydrophobicContact CD1-CZ 4.09Å; I262-F266 HydrophobicContact CG2-CD2 4.48Å; I262-F266 HydrophobicContact CG2-CE2 3.59Å; I262-F266 HydrophobicContact CG2-CZ 3.88Å
267M77.7Confident83.2Confident108 Ų108105.3 Ų105.353%0.53258%0.576SS.*PPolyproline II helixtrans-98.7122.5177.6-69-61.8-66.700109.1P265P265-M267 HydrophobicContact CB-CG 4.1Å; P265-M267 PolarHBondContact O-N 2.81Å
268L81.8Confident83.1Confident72 Ų72111 Ų11138%0.37761%0.614SS.*PPolyproline II helixtrans-84.7139176-63.2174000110.1V237 A241V237-L268 HydrophobicContact CB-CD1 4.4Å; V237-L268 HydrophobicContact CG1-CD1 3.62Å; A241-L268 HydrophobicContact CB-CD1 3.9Å; A241-L268 HydrophobicContact CB-CG 4Å
269P81.3Confident83.1Confident84 Ų84112.2 Ų112.255%0.54562%0.617SS.*PPolyproline II helixtrans-66.7150.3170.431-34.7000109.9L271 A272P269-L271 PolarHBondContact O-N 3.11Å; P269-A272 HydrophobicContact CG-CB 4.13Å
270S77.6Confident83.2Confident137 Ų137108.7 Ų108.796%0.95862%0.619SS**SBendtrans-63.1-31.1175.953.20000112.7
271L81.7Confident83.5Confident150 Ų150105.4 Ų105.479%0.78561%0.606SS**SBendtrans-134.8124.8171.8-156.3100000108.6P269P269-L271 PolarHBondContact O-N 3.11Å
272A81.4Confident83.9Confident62 Ų62104.7 Ų104.751%0.51260%0.601SS.*  trans-101126171.700000109.2P269 V274P269-A272 HydrophobicContact CG-CB 4.13Å; A272-V274 HydrophobicContact CB-CG1 4.42Å; A272-V274 PolarHBondContact O-N 3.27Å
273D85.4Confident84Confident123 Ų123109.3 Ų109.366%0.65862%0.619SS**  trans-72.1110.9167.7177.115.1000109.1S275D273-S275 WeakPolarHBondContact OD1-CB 3.47Å; D273-S275 PolarHBondContact OD1-N 2.78Å; D273-S275 PolarHBondContact OD1-OG 3.39Å; D273-S275 PolarHBondContact OD2-OG 2.83Å
274V88.9Confident84.3Confident77 Ų77107.3 Ų107.347%0.46761%0.611SS.*  trans-104.15.4179-62.50000112.6A272 K276 L277A272-V274 HydrophobicContact CB-CG1 4.42Å; A272-V274 PolarHBondContact O-N 3.27Å; V274-K276 PolarHBondContact O-N 3.31Å; V274-K276 VanDerWaalsContact O-N 3.1Å; V274-L277 HydrophobicContact CB-CB 4.41Å; V274-L277 VanDerWaalsContact O-CB 3.31Å; V274-L277 WeakPolarHBondContact O-CB 3.43Å; V274-L277 PolarHBondContact O-N 3.29Å
275S90.2Very high83.9Confident92 Ų92102.5 Ų102.564%0.64360%0.597SS**THydrogen-bonded Turntrans-60.2-25.1-17562.90000114.1D273D273-S275 WeakPolarHBondContact OD1-CB 3.47Å; D273-S275 PolarHBondContact OD1-N 2.78Å; D273-S275 PolarHBondContact OD1-OG 3.39Å; D273-S275 PolarHBondContact OD2-OG 2.83Å
276K92.4Very high83.2Confident191 Ų191102.3 Ų102.383%0.8359%0.585SS**THydrogen-bonded Turntrans-103.66178.9-61.9-179.6-177.3174.10113.5V274 C278V274-K276 PolarHBondContact O-N 3.31Å; V274-K276 VanDerWaalsContact O-N 3.1Å; K276-C278 PolarHBondContact O-N 2.91Å
277L93.4Very high81.7Confident112 Ų112104.1 Ų104.159%0.58661%0.605SS**  trans-76.2123.3-179.8-172.766.6000110.1V274 I279V274-L277 HydrophobicContact CB-CB 4.41Å; V274-L277 VanDerWaalsContact O-CB 3.31Å; V274-L277 WeakPolarHBondContact O-CB 3.43Å; V274-L277 PolarHBondContact O-N 3.29Å; L277-I279 HydrophobicContact CD2-CD1 4.34Å; L277-I279 HydrophobicContact CD2-CG1 4.1Å; L277-I279 HydrophobicContact CG-CG1 4.15Å
278C94.3Very high80.4Confident123 Ų123105.2 Ų105.283%0.83161%0.607SS**  trans-86.8117.5171.5-172.80000109.7K276K276-C278 PolarHBondContact O-N 2.91Å
279I91.9Very high78.8Confident98 Ų98110.3 Ų110.350%0.50363%0.629SS.*  trans-106.5113.5-179.7-57.3176000108.9L277 I281 F311L277-I279 HydrophobicContact CD2-CD1 4.34Å; L277-I279 HydrophobicContact CD2-CG1 4.1Å; L277-I279 HydrophobicContact CG-CG1 4.15Å; I279-I281 HydrophobicContact CG2-CG1 4.4Å; I279-F311 HydrophobicContact CD1-CE2 4.43Å; I279-F311 HydrophobicContact CD1-CZ 3.92Å
280G91Very high77.2Confident69 Ų69116.2 Ų116.271%0.71164%0.642SS**  trans-80.5124.3172.900000111.1P282G280-P282 WeakPolarHBondContact O-CD 3.36Å
281I88.1Confident75.7Confident86 Ų86113.5 Ų113.544%0.44161%0.613SS.*  trans-107.4105.9176.4-59-170.4000109.1I279 K283 F286 L314I279-I281 HydrophobicContact CG2-CG1 4.4Å; I281-K283 PolarHBondContact O-N 3.01Å; I281-F286 HydrophobicContact CG2-CD2 4.24Å; I281-F286 HydrophobicContact CG2-CE2 3.28Å; I281-F286 HydrophobicContact CG2-CZ 3.86Å; I281-L314 HydrophobicContact CD1-CD2 3.31Å; I281-L314 HydrophobicContact CG1-CD2 4.37Å
282P83.2Confident74.1Confident76 Ų76111.2 Ų111.249%0.49461%0.605SS.*  trans-69.5128.4-178.9-17.731.7000111.5G280 V284 T285G280-P282 WeakPolarHBondContact O-CD 3.36Å; P282-V284 HydrophobicContact CB-CG1 4.22Å; P282-V284 PolarHBondContact O-N 2.93Å; P282-T285 HydrophobicContact CB-CG2 4.36Å; P282-T285 PolarHBondContact O-N 3.29Å; P282-T285 PolarHBondContact O-OG1 2.53Å
283K82.6Confident72.6Confident166 Ų166112 Ų11272%0.72260%0.598SS**G310 helixtrans-59.4-33.6-179.7-66.3-175.8178.3-177.40113.6I281 T285 F286 S287I281-K283 PolarHBondContact O-N 3.01Å; K283-T285 PolarHBondContact O-N 3.08Å; K283-F286 PolarHBondContact O-N 3.49Å; K283-F286 VanDerWaalsContact O-N 3.1Å; K283-S287 PolarHBondContact O-OG 3.21Å
284V77.4Confident71.2Confident94 Ų94111.9 Ų111.957%0.5760%0.596SS**G310 helixtrans-61.9-24.3-177.368.80000113.5P282 F286P282-V284 HydrophobicContact CB-CG1 4.22Å; P282-V284 PolarHBondContact O-N 2.93Å; V284-F286 PolarHBondContact O-N 3.32Å
285T63.8Low69.1Low71 Ų71111.9 Ų111.944%0.43659%0.593SS.*G310 helixtrans-71.6-20.8178.356.50000112.7P282 K283P282-T285 HydrophobicContact CB-CG2 4.36Å; P282-T285 PolarHBondContact O-N 3.29Å; P282-T285 PolarHBondContact O-OG1 2.53Å; K283-T285 PolarHBondContact O-N 3.08Å
286F60.5Low66.8Low98 Ų98111.4 Ų111.443%0.4359%0.59SS.*THydrogen-bonded Turntrans-98.1-14-179.3-65.7-92.9000113.4I281 K283 V284 F288 L295I281-F286 HydrophobicContact CG2-CD2 4.24Å; I281-F286 HydrophobicContact CG2-CE2 3.28Å; I281-F286 HydrophobicContact CG2-CZ 3.86Å; K283-F286 PolarHBondContact O-N 3.49Å; K283-F286 VanDerWaalsContact O-N 3.1Å; V284-F286 PolarHBondContact O-N 3.32Å; F286-F288 VanDerWaalsContact C-N 3.27Å; F286-F288 PolarHBondContact O-N 2.54Å; F286-L295 HydrophobicContact CD1-CD1 3.77Å; F286-L295 HydrophobicContact CD1-CD2 4.17Å; F286-L295 HydrophobicContact CE1-CD1 4.11Å; F286-L295 HydrophobicContact CE1-CD2 3.64Å; F286-L295 HydrophobicContact CZ-CD2 4.44Å
287S51.4Low64.4Low97 Ų97105.9 Ų105.968%0.67858%0.576SS**SBendtrans-77.7-9.2-177.2-54.70000114K283K283-S287 PolarHBondContact O-OG 3.21Å
288F50.3Low61.7Low131 Ų131104.5 Ų104.558%0.57557%0.573SS**SBendtrans-89.2115.9174.3-76.8-83.4000110.5F286 Y290 F291F286-F288 VanDerWaalsContact C-N 3.27Å; F286-F288 PolarHBondContact O-N 2.54Å; F288-Y290 PolarHBondContact O-N 3.2Å; F288-F291 HydrophobicContact CB-CD2 4.45Å
289H47Very low59.1Low180 Ų180104.3 Ų104.383%0.83356%0.563SS**THydrogen-bonded Turntrans-60.53.5-177.5-13573.5000115.6
290Y47.6Very low56.4Low208 Ų208107 Ų10782%0.81657%0.573SS**THydrogen-bonded Turntrans-87.5-0.9-175.1-77.3-83.5000114.5F288F288-Y290 PolarHBondContact O-N 3.2Å
291F48Very low53.8Low80 Ų80107.2 Ų107.235%0.35156%0.564SS.*  trans-108.412.3-166.5-85-83.2000115.2F288 E293 I294 L295F288-F291 HydrophobicContact CB-CD2 4.45Å; F291-E293 PolarHBondContact O-N 3.47Å; F291-I294 HydrophobicContact CD1-CB 3.82Å; F291-I294 HydrophobicContact CD1-CD1 3.8Å; F291-I294 HydrophobicContact CD1-CG1 4.38Å; F291-I294 HydrophobicContact CD1-CG2 3.85Å; F291-I294 HydrophobicContact CE1-CB 4.46Å; F291-I294 HydrophobicContact CE1-CD1 3.78Å; F291-I294 HydrophobicContact CE1-CG2 4.18Å; F291-I294 PolarHBondContact O-N 3.06Å; F291-L295 HydrophobicContact CB-CD1 3.54Å; F291-L295 HydrophobicContact CB-CG 3.84Å; F291-L295 HydrophobicContact CG-CD1 4.47Å; F291-L295 VanDerWaalsContact O-CB 3.29Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 WeakPolarHBondContact O-CG 3.46Å; F291-L295 PolarHBondContact O-N 3.18Å
292T46.4Very low51Low101 Ų101108 Ų10862%0.6257%0.572SS**Hα-helixtrans-58.7-42.9-173.847.60000112.9S296T292-S296 WeakPolarHBondContact O-CB 3.39Å; T292-S296 PolarHBondContact O-N 3.09Å; T292-S296 VanDerWaalsContact O-N 3.08Å; T292-S296 PolarHBondContact O-OG 2.98Å
293E51Low48.6Very low80 Ų80111.6 Ų111.637%0.37459%0.588SS.*Hα-helixtrans-78.3-33.1177.3-74.2-172.8-174.800113.9Y148 K151 F291 S296 S297Y148-E293 WeakPolarHBondContact CE2-OE2 3.47Å; Y148-E293 PolarHBondContact OH-OE2 3.28Å; K151-E293 IonicContact NZ-OE1 3.2Å; K151-E293 PolarHBondContact NZ-OE1 3.03Å; F291-E293 PolarHBondContact O-N 3.47Å; E293-S296 WeakPolarHBondContact CA-OG 2.91Å; E293-S297 PolarHBondContact O-N 2.96Å
294I55.5Low46.5Very low119 Ų119111.1 Ų111.161%0.6159%0.592SS**Hα-helixtrans-70.2-36.9177.9-66.5171.1000111.1F291F291-I294 HydrophobicContact CD1-CB 3.82Å; F291-I294 HydrophobicContact CD1-CD1 3.8Å; F291-I294 HydrophobicContact CD1-CG1 4.38Å; F291-I294 HydrophobicContact CD1-CG2 3.85Å; F291-I294 HydrophobicContact CE1-CB 4.46Å; F291-I294 HydrophobicContact CE1-CD1 3.78Å; F291-I294 HydrophobicContact CE1-CG2 4.18Å; F291-I294 PolarHBondContact O-N 3.06Å
295L45.3Very low44.2Very low77 Ų77109.7 Ų109.740%0.40360%0.597SS.*Hα-helixtrans-85.3-21.4179-65.6172000113.2F286 F291F286-L295 HydrophobicContact CD1-CD1 3.77Å; F286-L295 HydrophobicContact CD1-CD2 4.17Å; F286-L295 HydrophobicContact CE1-CD1 4.11Å; F286-L295 HydrophobicContact CE1-CD2 3.64Å; F286-L295 HydrophobicContact CZ-CD2 4.44Å; F291-L295 HydrophobicContact CB-CD1 3.54Å; F291-L295 HydrophobicContact CB-CG 3.84Å; F291-L295 HydrophobicContact CG-CD1 4.47Å; F291-L295 VanDerWaalsContact O-CB 3.29Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 WeakPolarHBondContact O-CG 3.46Å; F291-L295 PolarHBondContact O-N 3.18Å
296S41.8Very low42.7Very low82 Ų82110.5 Ų110.557%0.57362%0.619SS**Hα-helixtrans-93.7-7.2174.860.10000113.8T292 E293 P298T292-S296 WeakPolarHBondContact O-CB 3.39Å; T292-S296 PolarHBondContact O-N 3.09Å; T292-S296 VanDerWaalsContact O-N 3.08Å; T292-S296 PolarHBondContact O-OG 2.98Å; E293-S296 WeakPolarHBondContact CA-OG 2.91Å; S296-P298 WeakPolarHBondContact O-CD 3.33Å; S296-P298 VanDerWaalsContact O-N 3.07Å
297S41.7Very low41.4Very low76 Ų76108.9 Ų108.953%0.53163%0.63SS.*SBendtrans-56.5116.2158-1740000105.9E293 I299E293-S297 PolarHBondContact O-N 2.96Å; S297-I299 PolarHBondContact O-N 3.01Å; S297-I299 VanDerWaalsContact O-N 3.11Å
298P37.1Very low40.9Very low82 Ų82110.3 Ų110.353%0.53263%0.629SS.*  trans-52130.6171.1-20.832.6000105.8S296 E300S296-P298 WeakPolarHBondContact O-CD 3.33Å; S296-P298 VanDerWaalsContact O-N 3.07Å; P298-E300 HydrophobicContact CB-CB 4.09Å; P298-E300 HydrophobicContact CB-CG 3.75Å; P298-E300 HydrophobicContact CG-CG 4.45Å; P298-E300 PolarHBondContact O-N 3.46Å
299I40.2Very low39.9Very low120 Ų120108.1 Ų108.162%0.61564%0.643SS**  trans-6675145.9-58.5171.8000103.1S297 S301S297-I299 PolarHBondContact O-N 3.01Å; S297-I299 VanDerWaalsContact O-N 3.11Å; I299-S301 PolarHBondContact O-N 3.06Å
300E34.5Very low39.4Very low154 Ų154101.9 Ų101.972%0.7263%0.628SS**  trans-69.274.7159.7-99.7173.7-162.500103.3P298 T302P298-E300 HydrophobicContact CB-CB 4.09Å; P298-E300 HydrophobicContact CB-CG 3.75Å; P298-E300 HydrophobicContact CG-CG 4.45Å; P298-E300 PolarHBondContact O-N 3.46Å; E300-T302 PolarHBondContact O-N 3.41Å
301S35.9Very low38.8Very low74 Ų7497.3 Ų97.352%0.51761%0.613SS.*  trans-5590.8141.354.10000103.7I299 D303I299-S301 PolarHBondContact O-N 3.06Å; S301-D303 PolarHBondContact O-N 3.47Å; S301-D303 VanDerWaalsContact O-N 3.16Å
302T30.5Very low38Very low101 Ų101101.8 Ų101.862%0.6263%0.634SS**  trans-38.9127.9163.931.70000106.4E300 L304E300-T302 PolarHBondContact O-N 3.41Å; T302-L304 PolarHBondContact O-N 3.32Å
303D32.8Very low37.2Very low153 Ų153101.1 Ų101.182%0.81863%0.634SS**  trans-51.375.5176.1-164.57.2000109.9S301 G305S301-D303 PolarHBondContact O-N 3.47Å; S301-D303 VanDerWaalsContact O-N 3.16Å; D303-G305 PolarHBondContact O-N 3.42Å
304L36.8Very low36.4Very low156 Ų156102 Ų10282%0.81764%0.641SS**  trans-86.372167.3-77.5170.9000105.2T302T302-L304 PolarHBondContact O-N 3.32Å
305G30.8Very low35.4Very low64 Ų64100.9 Ų100.966%0.6664%0.636SS**SBendtrans42.589162.800000115.9D303 G307D303-G305 PolarHBondContact O-N 3.42Å; G305-G307 PolarHBondContact O-N 3.36Å; G305-G307 VanDerWaalsContact O-N 3.13Å
306G31.5Very low34.6Very low87 Ų87102.1 Ų102.190%0.89765%0.65SS**SBendtrans58.437143.400000118.5
307G32.3Very low34Very low64 Ų64106.1 Ų106.166%0.6666%0.659SS**  trans-133.5-12.5178.700000117.6G305G305-G307 PolarHBondContact O-N 3.36Å; G305-G307 VanDerWaalsContact O-N 3.13Å
308L42Very low33.7Very low127 Ų127110.4 Ų110.467%0.66567%0.668SS**  trans-121.152-171.3-72.2166.1000112.6G310L308-G310 PolarHBondContact O-N 3.08Å
309G29.2Very low33.7Very low85 Ų85120.6 Ų120.688%0.87670%0.698SS**THydrogen-bonded Turntrans-71.224.9176.800000115.9
310G35.6Very low33.4Very low50 Ų50120.6 Ų120.652%0.51570%0.702SS.*THydrogen-bonded Turntrans-110-17.5-172.100000116.2L308L308-G310 PolarHBondContact O-N 3.08Å
311F35.3Very low33.3Very low112 Ų112118.8 Ų118.849%0.49170%0.701SS.*SBendtrans-95.2-29.4-172.2-98.9-90.8000114.4I279 S313 L314I279-F311 HydrophobicContact CD1-CE2 4.43Å; I279-F311 HydrophobicContact CD1-CZ 3.92Å; F311-S313 VanDerWaalsContact C-N 3.27Å; F311-S313 PolarHBondContact O-N 3.12Å; F311-L314 PolarHBondContact O-N 3.05Å
312E31.8Very low33.2Very low173 Ų173121.3 Ų121.381%0.80871%0.712SS**Hα-helixtrans-66.4-27.7179.5-72.9-174147.100113.1L314E312-L314 VanDerWaalsContact C-N 3.28Å; E312-L314 PolarHBondContact O-N 3.21Å
313S29.4Very low33.3Very low88 Ų88122.5 Ų122.562%0.61572%0.717SS**Hα-helixtrans-71.7-17.3-179.8173.70000114.1F311F311-S313 VanDerWaalsContact C-N 3.27Å; F311-S313 PolarHBondContact O-N 3.12Å
314L34Very low33.4Very low98 Ų98120.6 Ų120.651%0.51371%0.711SS.*Hα-helixtrans-92.3-20.1-170.4-124.494.6000114.1I281 F311 E312I281-L314 HydrophobicContact CD1-CD2 3.31Å; I281-L314 HydrophobicContact CG1-CD2 4.37Å; F311-L314 PolarHBondContact O-N 3.05Å; E312-L314 VanDerWaalsContact C-N 3.28Å; E312-L314 PolarHBondContact O-N 3.21Å
315L34Very low33.1Very low96 Ų96118.3 Ų118.350%0.50370%0.704SS.*Hα-helixtrans-91.5-25-179.5-83.6155.8000113.1H317L315-H317 VanDerWaalsContact C-N 3.29Å; L315-H317 PolarHBondContact O-N 3.48Å
316C28.4Very low33.3Very low103 Ų103122.1 Ų122.170%0.69671%0.707SS**THydrogen-bonded Turntrans-82.39.1-175.7-73.40000115.5
317H29.2Very low33.4Very low165 Ų165124.8 Ų124.876%0.76469%0.692SS**THydrogen-bonded Turntrans-117.613.9179.2-87.921.2000114.5L315L315-H317 VanDerWaalsContact C-N 3.29Å; L315-H317 PolarHBondContact O-N 3.48Å
318F36.2Very low33.5Very low166 Ų166129.9 Ų129.973%0.72870%0.695SS**  trans-123.333.2176.8-75.2-72.6000114.1
319Y37.3Very low32.8Very low296 Ų296130.2 Ų130.2100%1.16170%0.697SS**  trans-115.70158.8-77.9-76000110.3

Retrieved 319 of 319 residues in 67.3 ms (Link to these results)

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