A0A077ZJD7_TRITR Loading...

histidine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZJD7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 608 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
1M77.4Confident88.8Confident161 Ų16178.7 Ų78.779%0.79345%0.447SS*.  0134.90-62.5-81.2-96.800105.1Q114M1-Q114 HydrophobicContact SD-CB 3.86Å; M1-Q114 PolarHBondContact SD-OE1 2.84Å
2N85.4Confident89.3Confident72 Ų7273.8 Ų73.839%0.38542%0.416SS..  trans-125.4136-175.8-61.7-12.9000109.4Y112N2-Y112 WeakPolarHBondContact ND2-CD1 3.17Å; N2-Y112 VanDerWaalsContact ND2-CD2 3.34Å; N2-Y112 WeakPolarHBondContact ND2-CD2 3.5Å; N2-Y112 WeakPolarHBondContact ND2-CE1 3.34Å; N2-Y112 WeakPolarHBondContact ND2-CE2 3.32Å; N2-Y112 VanDerWaalsContact ND2-CG 3.34Å
3D91.4Very high89.7Confident146 Ų14678.2 Ų78.278%0.78143%0.431SS*.PPolyproline II helixtrans-85.3138.7166-59.5-37.9000108.5
4Y90.7Very high90Very high58 Ų5878.5 Ų78.523%0.22742%0.423CS..PPolyproline II helixtrans-102.2116.8169.9-63.6-72.5000108.6W12 H116 E300Y4-W12 HydrophobicContact CD1-CZ2 4.26Å; Y4-W12 AromaticContact CD1-NE1 3.96Å; Y4-W12 AromaticContact CE1-CZ2 3.69Å; Y4-W12 HydrophobicContact CE1-CZ2 3.69Å; Y4-W12 HydrophobicContact CE2-CH2 4.49Å; Y4-W12 HydrophobicContact CE2-CZ2 4.25Å; Y4-W12 AromaticContact CZ-CZ2 3.69Å; Y4-H116 AromaticContact CE2-CE1 3.73Å; Y4-H116 AromaticContact CE2-ND1 3.95Å; Y4-E300 WeakPolarHBondContact OH-CG 3.29Å; Y4-E300 PolarHBondContact OH-OE1 2.83Å
5L92.2Very high90.5Very high109 Ų10973.4 Ų73.457%0.57140%0.395SS*.PPolyproline II helixtrans-79.3160.6-176.4-59.3-178.3000111.2G7 E8 T9L5-G7 PolarHBondContact O-N 3.29Å; L5-E8 PolarHBondContact N-OE2 3.37Å; L5-E8 CarbonylContact O-C 3.58Å; L5-E8 WeakPolarHBondContact O-CA 3.48Å; L5-E8 WeakPolarHBondContact O-CB 3.47Å; L5-E8 PolarHBondContact O-N 2.8Å; L5-T9 PolarHBondContact O-N 3Å
6P88.8Confident90.9Very high103 Ų10371.3 Ų71.367%0.66938%0.382SS*.Hα-helixtrans-50.7-37.6-176.5-32.437.3000115.5E8 T9 A10P6-E8 VanDerWaalsContact C-N 3.32Å; P6-E8 PolarHBondContact O-N 3.2Å; P6-T9 VanDerWaalsContact CA-OG1 3.28Å; P6-T9 WeakPolarHBondContact CA-OG1 3.48Å; P6-T9 PolarHBondContact O-N 3.19Å; P6-T9 PolarHBondContact O-OG1 3.06Å; P6-A10 PolarHBondContact O-N 3.08Å; P6-A10 VanDerWaalsContact O-N 3.16Å
7G84.4Confident91.2Very high63 Ų6368.7 Ų68.765%0.64938%0.376SS*.Hα-helixtrans-66.8-31.7176.500000113.5L5L5-G7 PolarHBondContact O-N 3.29Å
8E89.4Confident91.5Very high84 Ų8466.5 Ų66.539%0.39337%0.365SS..Hα-helixtrans-78.6-44.6173.8-59.4173.6101.400110.1L5 P6 A10 I11 W12L5-E8 PolarHBondContact N-OE2 3.37Å; L5-E8 CarbonylContact O-C 3.58Å; L5-E8 WeakPolarHBondContact O-CA 3.48Å; L5-E8 WeakPolarHBondContact O-CB 3.47Å; L5-E8 PolarHBondContact O-N 2.8Å; P6-E8 VanDerWaalsContact C-N 3.32Å; P6-E8 PolarHBondContact O-N 3.2Å; E8-A10 PolarHBondContact O-N 2.88Å; E8-A10 VanDerWaalsContact O-N 3.09Å; E8-I11 WeakPolarHBondContact O-CG2 3.29Å; E8-I11 PolarHBondContact O-N 3.28Å; E8-W12 VanDerWaalsContact O-CD1 3.24Å; E8-W12 PolarHBondContact O-N 2.94Å
9T93Very high91.9Very high45 Ų4563 Ų6328%0.27635%0.346SS..Hα-helixtrans-61.3-26.7-179.158.50000112.9L5 P6 I11 W12 Q13L5-T9 PolarHBondContact O-N 3Å; P6-T9 VanDerWaalsContact CA-OG1 3.28Å; P6-T9 WeakPolarHBondContact CA-OG1 3.48Å; P6-T9 PolarHBondContact O-N 3.19Å; P6-T9 PolarHBondContact O-OG1 3.06Å; T9-I11 VanDerWaalsContact C-N 3.34Å; T9-I11 PolarHBondContact O-N 3.41Å; T9-W12 WeakPolarHBondContact O-CB 3.09Å; T9-W12 PolarHBondContact O-N 3.36Å; T9-Q13 WeakPolarHBondContact O-CB 3.35Å; T9-Q13 VanDerWaalsContact O-CG 3.22Å; T9-Q13 WeakPolarHBondContact O-CG 3.25Å; T9-Q13 PolarHBondContact O-N 2.79Å
10A91.3Very high92.2Very high15 Ų1563.5 Ų63.512%0.12434%0.344CS..Hα-helixtrans-65.4-36177.600000112.5P6 E8 R14 A315P6-A10 PolarHBondContact O-N 3.08Å; P6-A10 VanDerWaalsContact O-N 3.16Å; E8-A10 PolarHBondContact O-N 2.88Å; E8-A10 VanDerWaalsContact O-N 3.09Å; A10-R14 PolarHBondContact O-N 3.1Å; A10-A315 HydrophobicContact CB-CB 3.59Å
11I93Very high92.4Very high10 Ų1066.4 Ų66.45%0.05136%0.36CS..Hα-helixtrans-72.2-39.5173.9-168.266.8000111.1E8 T9 R14 I15 V303 F313 A315E8-I11 WeakPolarHBondContact O-CG2 3.29Å; E8-I11 PolarHBondContact O-N 3.28Å; T9-I11 VanDerWaalsContact C-N 3.34Å; T9-I11 PolarHBondContact O-N 3.41Å; I11-R14 PolarHBondContact O-N 3.18Å; I11-I15 HydrophobicContact CG1-CD1 4.09Å; I11-I15 WeakPolarHBondContact O-CG1 3.2Å; I11-I15 PolarHBondContact O-N 2.83Å; I11-V303 HydrophobicContact CG2-CG1 4.04Å; I11-F313 HydrophobicContact CD1-CD1 3.56Å; I11-F313 HydrophobicContact CD1-CE1 3.93Å; I11-F313 VanDerWaalsContact CD1-O 3.31Å; I11-F313 WeakPolarHBondContact CD1-O 3.48Å; I11-A315 HydrophobicContact CB-CB 4.48Å
12W95Very high93.4Very high19 Ų1959.3 Ų59.37%0.07233%0.326CS..Hα-helixtrans-58.7-49.6175.3-81.370.9000111.7Y4 E8 T9 R14 I15 E16 H116 L299 E300 V303Y4-W12 HydrophobicContact CD1-CZ2 4.26Å; Y4-W12 AromaticContact CD1-NE1 3.96Å; Y4-W12 AromaticContact CE1-CZ2 3.69Å; Y4-W12 HydrophobicContact CE1-CZ2 3.69Å; Y4-W12 HydrophobicContact CE2-CH2 4.49Å; Y4-W12 HydrophobicContact CE2-CZ2 4.25Å; Y4-W12 AromaticContact CZ-CZ2 3.69Å; E8-W12 VanDerWaalsContact O-CD1 3.24Å; E8-W12 PolarHBondContact O-N 2.94Å; T9-W12 WeakPolarHBondContact O-CB 3.09Å; T9-W12 PolarHBondContact O-N 3.36Å; W12-R14 VanDerWaalsContact C-N 3.3Å; W12-R14 PolarHBondContact O-N 3.36Å; W12-I15 PolarHBondContact O-N 3.09Å; W12-E16 WeakPolarHBondContact O-CB 3.14Å; W12-E16 WeakPolarHBondContact O-CG 3.22Å; W12-E16 PolarHBondContact O-N 3.33Å; W12-H116 HydrophobicContact CH2-CB 4.05Å; W12-H116 AromaticContact CH2-ND1 3.87Å; W12-H116 HydrophobicContact CZ3-CB 3.78Å; W12-H116 AromaticContact CZ3-CG 3.9Å; W12-L299 HydrophobicContact CE3-CB 4.22Å; W12-L299 HydrophobicContact CE3-CD1 4.46Å; W12-L299 HydrophobicContact CH2-CB 3.71Å; W12-L299 HydrophobicContact CZ3-CB 3.4Å; W12-L299 HydrophobicContact CZ3-CD1 3.96Å; W12-L299 HydrophobicContact CZ3-CG 4.34Å; W12-E300 HydrophobicContact CH2-CG 3.85Å; W12-E300 WeakPolarHBondContact CH2-OE1 3.41Å; W12-E300 HydrophobicContact CZ2-CG 3.89Å; W12-V303 HydrophobicContact CD2-CG2 3.87Å; W12-V303 HydrophobicContact CE3-CG2 4.47Å; W12-V303 HydrophobicContact CG-CG2 4.06Å; W12-V303 HydrophobicContact CZ2-CG2 4.15Å
13Q94.3Very high94Very high131 Ų13155.9 Ų55.961%0.61231%0.307SS*.Hα-helixtrans-57.4-41.9178.6-74.9169.4-2.800112.2T9 G17T9-Q13 WeakPolarHBondContact O-CB 3.35Å; T9-Q13 VanDerWaalsContact O-CG 3.22Å; T9-Q13 WeakPolarHBondContact O-CG 3.25Å; T9-Q13 PolarHBondContact O-N 2.79Å; Q13-G17 PolarHBondContact O-N 3.41Å
14R94.2Very high94.3Very high83 Ų8351.4 Ų51.431%0.31330%0.295SS..Hα-helixtrans-65.9-44.6177.1-173-179.7172.5-174-2.3111.7A10 I11 W12 T18 F313 K314A10-R14 PolarHBondContact O-N 3.1Å; I11-R14 PolarHBondContact O-N 3.18Å; W12-R14 VanDerWaalsContact C-N 3.3Å; W12-R14 PolarHBondContact O-N 3.36Å; R14-T18 PolarHBondContact O-N 3.14Å; R14-T18 PolarHBondContact O-OG1 3.13Å; R14-F313 HydrophobicContact CB-CE1 4.18Å; R14-F313 HydrophobicContact CG-CE1 3.74Å; R14-F313 HydrophobicContact CG-CZ 3.8Å; R14-K314 WeakPolarHBondContact CD-O 3.4Å; R14-K314 PolarHBondContact NH1-O 3.44Å
15I96.5Very high94.6Very high2 Ų252 Ų521%0.0131%0.308CS..Hα-helixtrans-61.7-55.5176.7-72.5172000109.8I11 W12 G17 T18 L19 L145 L302 V303 V306 F313I11-I15 HydrophobicContact CG1-CD1 4.09Å; I11-I15 WeakPolarHBondContact O-CG1 3.2Å; I11-I15 PolarHBondContact O-N 2.83Å; W12-I15 PolarHBondContact O-N 3.09Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3.34Å; I15-T18 WeakPolarHBondContact O-CA 3.44Å; I15-T18 VanDerWaalsContact O-CB 3.29Å; I15-T18 WeakPolarHBondContact O-CB 3.36Å; I15-T18 PolarHBondContact O-N 3.06Å; I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 2.89Å; I15-L145 HydrophobicContact CG1-CD2 4.16Å; I15-L145 HydrophobicContact CG2-CD2 4.33Å; I15-L302 HydrophobicContact CG2-CD2 3.69Å; I15-L302 HydrophobicContact CG2-CG 4.39Å; I15-V303 HydrophobicContact CD1-CB 4.26Å; I15-V303 HydrophobicContact CD1-CG2 3.75Å; I15-V306 HydrophobicContact CD1-CB 4.12Å; I15-V306 HydrophobicContact CD1-CG1 4.19Å; I15-V306 HydrophobicContact CD1-CG2 4.17Å; I15-F313 HydrophobicContact CD1-CE1 4.49Å; I15-F313 HydrophobicContact CG1-CD1 4.45Å; I15-F313 HydrophobicContact CG1-CE1 3.65Å; I15-F313 HydrophobicContact CG1-CZ 4.13Å
16E97.6Very high94.8Very high40 Ų4048.8 Ų48.819%0.18729%0.289CS..Hα-helixtrans-57.1-42.4179.2-72.7-177.3-157.900112.7W12 T18 L19 K20 I98 L299W12-E16 WeakPolarHBondContact O-CB 3.14Å; W12-E16 WeakPolarHBondContact O-CG 3.22Å; W12-E16 PolarHBondContact O-N 3.33Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 3.46Å; E16-L19 PolarHBondContact O-N 3.36Å; E16-K20 WeakPolarHBondContact O-CB 3.48Å; E16-K20 WeakPolarHBondContact O-CD 3.43Å; E16-K20 VanDerWaalsContact O-CG 3.24Å; E16-K20 WeakPolarHBondContact O-CG 3.31Å; E16-K20 PolarHBondContact O-N 3.48Å; E16-K20 IonicContact OE2-NZ 3.61Å; E16-K20 PolarHBondContact OE2-NZ 3.02Å; E16-I98 HydrophobicContact CG-CD1 3.8Å; E16-L299 HydrophobicContact CG-CD1 4.4Å
17G96.1Very high95.2Very high27 Ų2746.3 Ų46.328%0.27828%0.282SS..Hα-helixtrans-59.8-41.8175.200000111.8Q13 I15 N21Q13-G17 PolarHBondContact O-N 3.41Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3.34Å; G17-N21 WeakPolarHBondContact O-CB 3.48Å; G17-N21 PolarHBondContact O-N 3.5Å; G17-N21 PolarHBondContact O-ND2 3.38Å
18T96.9Very high95.9Very high29 Ų2943.7 Ų43.718%0.17825%0.252CS..Hα-helixtrans-62.2-44.7174.2-55.60000111.4R14 I15 E16 V22 A144 L145R14-T18 PolarHBondContact O-N 3.14Å; R14-T18 PolarHBondContact O-OG1 3.13Å; I15-T18 WeakPolarHBondContact O-CA 3.44Å; I15-T18 VanDerWaalsContact O-CB 3.29Å; I15-T18 WeakPolarHBondContact O-CB 3.36Å; I15-T18 PolarHBondContact O-N 3.06Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 3.46Å; T18-V22 PolarHBondContact O-N 2.87Å; T18-A144 HydrophobicContact CG2-CB 3.61Å; T18-L145 HydrophobicContact CG2-CD2 4.03Å
19L98.3Very high96.3Very high0 Ų043.1 Ų43.10%026%0.258CS..Hα-helixtrans-63-48.8179.1-60.1178.6000111.4I15 E16 N21 V22 L23 L118 W141 L145 L299 L302I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CG 3.48Å; I15-L19 PolarHBondContact O-N 2.89Å; E16-L19 PolarHBondContact O-N 3.36Å; L19-N21 PolarHBondContact O-N 3.22Å; L19-V22 PolarHBondContact O-N 3.5Å; L19-L23 WeakPolarHBondContact O-CG 3.29Å; L19-L23 PolarHBondContact O-N 3.28Å; L19-L118 HydrophobicContact CB-CD1 4.06Å; L19-L118 HydrophobicContact CD1-CD1 3.94Å; L19-W141 HydrophobicContact CB-CZ2 4.23Å; L19-W141 HydrophobicContact CD2-CB 3.92Å; L19-W141 HydrophobicContact CD2-CD2 3.47Å; L19-W141 VanDerWaalsContact CD2-CD2 3.47Å; L19-W141 HydrophobicContact CD2-CE3 4.03Å; L19-W141 HydrophobicContact CD2-CG 3.42Å; L19-W141 VanDerWaalsContact CD2-CG 3.42Å; L19-W141 HydrophobicContact CD2-CZ2 4.3Å; L19-W141 PolarHBondContact O-NE1 2.73Å; L19-W141 VanDerWaalsContact O-NE1 3.12Å; L19-L145 HydrophobicContact CD2-CD1 4.16Å; L19-L299 HydrophobicContact CD1-CD2 3.89Å; L19-L302 HydrophobicContact CD1-CD2 3.84Å; L19-L302 HydrophobicContact CD2-CD2 4.26Å
20K98.1Very high96.6Very high72 Ų7245 Ų4531%0.31326%0.264SS..Hα-helixtrans-60.4-42.2178.7-72.2165.3-178.3161.70112.2E16 V22 L23 G24 W96E16-K20 WeakPolarHBondContact O-CB 3.48Å; E16-K20 WeakPolarHBondContact O-CD 3.43Å; E16-K20 VanDerWaalsContact O-CG 3.24Å; E16-K20 WeakPolarHBondContact O-CG 3.31Å; E16-K20 PolarHBondContact O-N 3.48Å; E16-K20 IonicContact OE2-NZ 3.61Å; E16-K20 PolarHBondContact OE2-NZ 3.02Å; K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 PolarHBondContact O-N 3.32Å; K20-L23 PolarHBondContact O-N 2.74Å; K20-G24 PolarHBondContact O-N 3.26Å; K20-W96 HydrophobicContact CD-CH2 4.34Å; K20-W96 HydrophobicContact CG-CH2 4Å; K20-W96 HydrophobicContact CG-CZ2 4.36Å; K20-W96 HydrophobicContact CG-CZ3 4.44Å
21N96.7Very high96.9Very high125 Ų12545.5 Ų45.567%0.66826%0.264SS*.Hα-helixtrans-61.9-41.6176.6-74.1-18.2000112G17 L19 S25G17-N21 WeakPolarHBondContact O-CB 3.48Å; G17-N21 PolarHBondContact O-N 3.5Å; G17-N21 PolarHBondContact O-ND2 3.38Å; L19-N21 PolarHBondContact O-N 3.22Å; N21-S25 PolarHBondContact O-N 3.11Å; N21-S25 VanDerWaalsContact O-N 3.11Å
22V97.9Very high97.2Very high13 Ų1354.7 Ų54.78%0.07930%0.298CS..Hα-helixtrans-67.3-431761680000110.7T18 L19 K20 G24 S25 Y26 L137 R140 W141T18-V22 PolarHBondContact O-N 2.87Å; L19-V22 PolarHBondContact O-N 3.5Å; K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 PolarHBondContact O-N 3.32Å; V22-G24 VanDerWaalsContact C-N 3.33Å; V22-G24 PolarHBondContact O-N 3.4Å; V22-S25 WeakPolarHBondContact O-CB 3.27Å; V22-S25 PolarHBondContact O-N 2.99Å; V22-S25 PolarHBondContact O-OG 2.78Å; V22-Y26 HydrophobicContact CG1-CD2 4.2Å; V22-Y26 HydrophobicContact CG1-CE2 4.12Å; V22-Y26 WeakPolarHBondContact O-CD2 3.34Å; V22-Y26 PolarHBondContact O-N 2.84Å; V22-L137 HydrophobicContact CG1-CD2 4.4Å; V22-L137 HydrophobicContact CG1-CG 4.26Å; V22-R140 HydrophobicContact CG1-CB 4.34Å; V22-R140 HydrophobicContact CG1-CG 4.23Å; V22-R140 HydrophobicContact CG2-CG 4.26Å; V22-W141 VanDerWaalsContact CB-CD1 3.42Å; V22-W141 VanDerWaalsContact CB-NE1 3.31Å; V22-W141 VanDerWaalsContact CG1-CD1 3.46Å; V22-W141 HydrophobicContact CG1-CG 4.42Å
23L98.3Very high97.3Very high0 Ų054.8 Ų54.80%030%0.299CS..Hα-helixtrans-56.1-47.2175.3-72.1163.5000112.3L19 K20 S25 Y26 G27 Y28 W96 L118 C120 L137 W141L19-L23 WeakPolarHBondContact O-CG 3.29Å; L19-L23 PolarHBondContact O-N 3.28Å; K20-L23 PolarHBondContact O-N 2.74Å; L23-S25 PolarHBondContact O-N 3.03Å; L23-Y26 PolarHBondContact O-N 3.5Å; L23-G27 PolarHBondContact O-N 3.2Å; L23-Y28 HydrophobicContact CD2-CG 4.33Å; L23-Y28 PolarHBondContact O-N 3.41Å; L23-W96 HydrophobicContact CD1-CB 4.1Å; L23-W96 HydrophobicContact CD1-CD2 3.81Å; L23-W96 HydrophobicContact CD1-CE3 4.14Å; L23-W96 HydrophobicContact CD1-CG 3.78Å; L23-W96 HydrophobicContact CD2-CB 4.21Å; L23-W96 HydrophobicContact CD2-CG 4.43Å; L23-W96 HydrophobicContact CG-CG 4.5Å; L23-L118 HydrophobicContact CD1-CD1 4.17Å; L23-L118 HydrophobicContact CD1-CD2 4.44Å; L23-C120 WeakPolarHBondContact CD2-SG 3.3Å; L23-L137 HydrophobicContact CD2-CD1 4.11Å; L23-L137 HydrophobicContact CD2-CD2 4.29Å; L23-W141 HydrophobicContact CD1-CZ2 3.99Å; L23-W141 HydrophobicContact CD2-CH2 4.37Å; L23-W141 HydrophobicContact CD2-CZ2 3.81Å; L23-W141 HydrophobicContact CG-CZ2 3.73Å
24G97.1Very high97.5Very high51 Ų5151.3 Ų51.353%0.52629%0.288SS..Hα-helixtrans-59.2-35.6175.600000112.6K20 V22 Y26 G27K20-G24 PolarHBondContact O-N 3.26Å; V22-G24 VanDerWaalsContact C-N 3.33Å; V22-G24 PolarHBondContact O-N 3.4Å; G24-Y26 PolarHBondContact O-N 3.44Å; G24-G27 PolarHBondContact O-N 2.96Å; G24-G27 VanDerWaalsContact O-N 3.15Å
25S97.1Very high97.7Very high71 Ų7150.6 Ų50.650%0.49729%0.29SS..Hα-helixtrans-68.5-16.217779.10000114.7N21 V22 L23N21-S25 PolarHBondContact O-N 3.11Å; N21-S25 VanDerWaalsContact O-N 3.11Å; V22-S25 WeakPolarHBondContact O-CB 3.27Å; V22-S25 PolarHBondContact O-N 2.99Å; V22-S25 PolarHBondContact O-OG 2.78Å; L23-S25 PolarHBondContact O-N 3.03Å
26Y97.7Very high97.8Very high42 Ų4253.6 Ų53.617%0.16531%0.308CS..THydrogen-bonded Turntrans-104.73.4174.3-78.3-96.5000112.9V22 L23 G24 E133 L137 R140V22-Y26 HydrophobicContact CG1-CD2 4.2Å; V22-Y26 HydrophobicContact CG1-CE2 4.12Å; V22-Y26 WeakPolarHBondContact O-CD2 3.34Å; V22-Y26 PolarHBondContact O-N 2.84Å; L23-Y26 PolarHBondContact O-N 3.5Å; G24-Y26 PolarHBondContact O-N 3.44Å; Y26-E133 HydrophobicContact CD1-CG 3.73Å; Y26-E133 HydrophobicContact CE1-CG 3.82Å; Y26-L137 HydrophobicContact CD1-CD1 4.47Å; Y26-L137 HydrophobicContact CD2-CB 4.35Å; Y26-L137 HydrophobicContact CD2-CD1 4.07Å; Y26-L137 HydrophobicContact CD2-CG 3.97Å; Y26-L137 HydrophobicContact CE1-CB 4.36Å; Y26-L137 HydrophobicContact CE2-CB 4.16Å; Y26-L137 HydrophobicContact CE2-CG 4.15Å; Y26-L137 HydrophobicContact CG-CD1 3.97Å; Y26-L137 HydrophobicContact CG-CG 4.31Å; Y26-R140 PolarHBondContact OH-NE 2.81Å
27G97.1Very high97.8Very high51 Ų5152.6 Ų52.653%0.52630%0.303SS..THydrogen-bonded Turntrans77.718.8177.700000115.4L23 G24L23-G27 PolarHBondContact O-N 3.2Å; G24-G27 PolarHBondContact O-N 2.96Å; G24-G27 VanDerWaalsContact O-N 3.15Å
28Y98.6Very high97.8Very high7 Ų755.5 Ų55.53%0.02731%0.31CS..  trans-79.5135.9176-72.3-110.9000110.7L23 R94 W96 C120 V122 E133 L134 L137L23-Y28 HydrophobicContact CD2-CG 4.33Å; L23-Y28 PolarHBondContact O-N 3.41Å; Y28-R94 WeakPolarHBondContact CA-O 3.49Å; Y28-R94 HydrophobicContact CD1-CB 3.8Å; Y28-R94 HydrophobicContact CD2-CB 4.33Å; Y28-R94 HydrophobicContact CE1-CB 3.95Å; Y28-R94 HydrophobicContact CE1-CG 4.45Å; Y28-R94 HydrophobicContact CE2-CB 4.45Å; Y28-R94 HydrophobicContact CG-CB 3.98Å; Y28-W96 PolarHBondContact O-NE1 2.85Å; Y28-C120 HydrophobicContact CD1-CB 4.33Å; Y28-C120 HydrophobicContact CE1-CB 4.28Å; Y28-V122 HydrophobicContact CE1-CG2 3.54Å; Y28-V122 VanDerWaalsContact OH-CG2 3.22Å; Y28-V122 WeakPolarHBondContact OH-CG2 3.41Å; Y28-E133 WeakPolarHBondContact CE2-OE1 3.38Å; Y28-E133 PolarHBondContact OH-OE1 3.32Å; Y28-L134 HydrophobicContact CE1-CD2 3.98Å; Y28-L134 VanDerWaalsContact OH-CD2 3.25Å; Y28-L134 WeakPolarHBondContact OH-CD2 3.49Å; Y28-L137 HydrophobicContact CD2-CD1 4.07Å; Y28-L137 HydrophobicContact CE2-CD1 3.8Å
29S98.2Very high97.8Very high73 Ų7354.2 Ų54.251%0.5130%0.302SS..EExtended strand (participates in β ladder)trans-106.4144.9-178-64.50000112.5R94 L95 W96S29-R94 PolarHBondContact N-O 3.23Å; S29-L95 CarbonylContact O-C 3.57Å; S29-L95 WeakPolarHBondContact O-CA 3.49Å; S29-W96 VanDerWaalsContact O-CD1 3.26Å; S29-W96 PolarHBondContact O-N 3.2Å
30E98.6Very high97.7Very high85 Ų8558.1 Ų58.140%0.39733%0.327SS..EExtended strand (participates in β ladder)trans-71.6133.2-179.5-168.1-176.7169.800111R32 W96E30-R32 HydrophobicContact CG-CG 4.46Å; E30-R32 IonicContact OE1-CZ 3.73Å; E30-R32 IonicContact OE1-NE 2.67Å; E30-R32 PolarHBondContact OE1-NE 3.08Å; E30-R32 IonicContact OE1-NH2 3.65Å; E30-R32 PolarHBondContact OE1-NH2 2.78Å; E30-R32 IonicContact OE2-NE 2.75Å; E30-R32 IonicContact OE2-NH2 3.6Å; E30-R32 PolarHBondContact OE2-NH2 2.8Å; E30-W96 CarbonylContact C-O 3.45Å; E30-W96 WeakPolarHBondContact CA-O 3.41Å; E30-W96 HydrophobicContact CB-CD2 4.29Å; E30-W96 HydrophobicContact CB-CH2 3.96Å; E30-W96 HydrophobicContact CB-CZ2 3.44Å; E30-W96 VanDerWaalsContact CB-CZ2 3.44Å; E30-W96 HydrophobicContact CG-CD2 4.35Å; E30-W96 HydrophobicContact CG-CE3 4.33Å; E30-W96 HydrophobicContact CG-CH2 3.55Å; E30-W96 HydrophobicContact CG-CZ2 3.61Å; E30-W96 HydrophobicContact CG-CZ3 3.95Å
31I98.5Very high97.7Very high25 Ų2555.8 Ų55.813%0.12832%0.318CS..  trans-118.3139.1163.4-168.1168.6000109.9L33 A81 L95 W96 Y97I31-L33 HydrophobicContact CD1-CD2 3.98Å; I31-L33 HydrophobicContact CG1-CD2 3.95Å; I31-L33 HydrophobicContact CG2-CD2 4.42Å; I31-A81 HydrophobicContact CD1-CB 3.89Å; I31-L95 HydrophobicContact CD1-CD1 4.16Å; I31-L95 HydrophobicContact CG2-CB 4.14Å; I31-W96 PolarHBondContact N-O 3.46Å; I31-Y97 HydrophobicContact CG2-CD1 4.26Å; I31-Y97 WeakPolarHBondContact O-CB 3.44Å
32R98.3Very high97.6Very high203 Ų20349.8 Ų49.877%0.76629%0.286SS*.  trans-111.1123.7177.2-66.2-173178.8168.97.5110.1E30E30-R32 HydrophobicContact CG-CG 4.46Å; E30-R32 IonicContact OE1-CZ 3.73Å; E30-R32 IonicContact OE1-NE 2.67Å; E30-R32 PolarHBondContact OE1-NE 3.08Å; E30-R32 IonicContact OE1-NH2 3.65Å; E30-R32 PolarHBondContact OE1-NH2 2.78Å; E30-R32 IonicContact OE2-NE 2.75Å; E30-R32 IonicContact OE2-NH2 3.6Å; E30-R32 PolarHBondContact OE2-NH2 2.8Å
33L98.2Very high97.4Very high20 Ų2053.7 Ų53.711%0.10530%0.302CS..  trans-110.6148.6-174.6-51.1171.8000110.2I31 R71 G74 C78 A81 Y97I31-L33 HydrophobicContact CD1-CD2 3.98Å; I31-L33 HydrophobicContact CG1-CD2 3.95Å; I31-L33 HydrophobicContact CG2-CD2 4.42Å; L33-R71 PolarHBondContact O-NH1 3.48Å; L33-G74 VanDerWaalsContact CD1-O 3.28Å; L33-G74 WeakPolarHBondContact CD1-O 3.35Å; L33-C78 HydrophobicContact CD1-CB 4.02Å; L33-A81 HydrophobicContact CD2-CB 3.88Å; L33-Y97 HydrophobicContact CD1-CD1 4Å; L33-Y97 HydrophobicContact CD1-CE1 4.49Å; L33-Y97 HydrophobicContact CD1-CG 4.19Å
34P98Very high97.2Very high58 Ų5860.4 Ų60.438%0.37733%0.327SS..  trans-54.9153.9170.5-2333.4000112.4V36 E37 R71P34-V36 WeakPolarHBondContact CB-O 3.23Å; P34-E37 HydrophobicContact CB-CG 4.25Å; P34-E37 WeakPolarHBondContact CD-OE1 3.46Å; P34-R71 WeakPolarHBondContact O-CD 3.29Å; P34-R71 PolarHBondContact O-NH1 3.39Å
35I98Very high97Very high69 Ų6958 Ų5835%0.35430%0.303SS..SBendtrans-86.1-37.3170.8-67.5172.6000110.4L70 R71 P100 F102I35-L70 HydrophobicContact CG2-CD2 4.25Å; I35-L70 CarbonylContact O-C 3.54Å; I35-L70 WeakPolarHBondContact O-CA 3.45Å; I35-R71 PolarHBondContact O-N 3.42Å; I35-P100 HydrophobicContact CD1-CG 3.85Å; I35-P100 HydrophobicContact CG1-CG 4.32Å; I35-F102 HydrophobicContact CG2-CD2 4.33Å; I35-F102 HydrophobicContact CG2-CE2 3.59Å; I35-F102 HydrophobicContact CG2-CZ 4.26Å
36V97.9Very high96.6Very high64 Ų6454.7 Ų54.739%0.38828%0.279SS..EExtended strand (participates in β ladder)trans-101.9121.8179.1-172.50000107.6P34 F60 L68 L70P34-V36 WeakPolarHBondContact CB-O 3.23Å; V36-F60 HydrophobicContact CG1-CZ 3.91Å; V36-L68 HydrophobicContact CG1-CB 3.78Å; V36-L68 HydrophobicContact CG1-CD1 3.83Å; V36-L68 HydrophobicContact CG1-CG 4.27Å; V36-L70 HydrophobicContact CG2-CD2 3.88Å
37E97.9Very high96Very high19 Ų1953.3 Ų53.39%0.08928%0.278CS..EExtended strand (participates in β ladder)trans-132.2162.8-178.7-71.3-86.6-158.400109.3P34 T39 L41 F42 L68 T69 R80P34-E37 HydrophobicContact CB-CG 4.25Å; P34-E37 WeakPolarHBondContact CD-OE1 3.46Å; E37-T39 PolarHBondContact O-N 2.95Å; E37-L41 HydrophobicContact CB-CD2 4.1Å; E37-L41 HydrophobicContact CG-CD2 4.21Å; E37-F42 HydrophobicContact CB-CE2 3.68Å; E37-F42 HydrophobicContact CB-CZ 3.77Å; E37-F42 HydrophobicContact CG-CE2 4.5Å; E37-F42 HydrophobicContact CG-CZ 4.1Å; E37-L68 WeakPolarHBondContact O-CA 3.34Å; E37-T69 PolarHBondContact N-O 2.87Å; E37-T69 PolarHBondContact O-N 3.32Å; E37-R80 IonicContact OE1-CZ 2.87Å; E37-R80 VanDerWaalsContact OE1-CZ 3.29Å; E37-R80 IonicContact OE1-NE 3.05Å; E37-R80 PolarHBondContact OE1-NE 2.91Å; E37-R80 IonicContact OE1-NH2 2.73Å; E37-R80 PolarHBondContact OE1-NH2 2.95Å; E37-R80 IonicContact OE2-NE 3.24Å; E37-R80 PolarHBondContact OE2-NE 3.06Å; E37-R80 VanDerWaalsContact OE2-NE 3.14Å
38Q97.4Very high95.3Very high88 Ų8857.5 Ų57.541%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-64127.5176.2-71.6-71-5.900110.5P40 L41 S67Q38-P40 VanDerWaalsContact C-N 3.3Å; Q38-L41 WeakPolarHBondContact O-CB 3.27Å; Q38-L41 PolarHBondContact O-N 3.25Å; Q38-S67 PolarHBondContact OE1-O 2.64Å
39T97.1Very high94.5Very high3 Ų359.8 Ų59.82%0.01830%0.298CS..Hα-helixtrans-52.1-39.6-179.1-58.70000114E37 L41 F42 K43 M57 T59 S67 L68 T69E37-T39 PolarHBondContact O-N 2.95Å; T39-L41 PolarHBondContact O-N 3.22Å; T39-L41 VanDerWaalsContact O-N 3.15Å; T39-F42 PolarHBondContact O-N 2.89Å; T39-K43 HydrophobicContact CG2-CD 4.25Å; T39-K43 HydrophobicContact CG2-CG 4.25Å; T39-K43 PolarHBondContact O-N 3.38Å; T39-M57 HydrophobicContact CG2-CE 4.19Å; T39-T59 HydrophobicContact CG2-CG2 3.99Å; T39-T59 WeakPolarHBondContact OG1-CG2 3.42Å; T39-S67 WeakPolarHBondContact CB-O 3.2Å; T39-S67 WeakPolarHBondContact CB-OG 3.48Å; T39-S67 PolarHBondContact N-O 3.42Å; T39-S67 VanDerWaalsContact OG1-C 3.22Å; T39-S67 PolarHBondContact OG1-O 3.1Å; T39-S67 PolarHBondContact OG1-OG 3.05Å; T39-L68 VanDerWaalsContact OG1-C 3.25Å; T39-L68 PolarHBondContact OG1-N 3.45Å; T39-L68 PolarHBondContact OG1-O 3.46Å; T39-T69 WeakPolarHBondContact CB-OG1 3.36Å; T39-T69 PolarHBondContact OG1-OG1 2.82Å
40P95.8Very high93.8Very high82 Ų8256.3 Ų56.353%0.53227%0.274SS..Hα-helixtrans-56-27.7176.3-28.737000114.8Q38 F42 R44Q38-P40 VanDerWaalsContact C-N 3.3Å; P40-F42 PolarHBondContact O-N 2.83Å; P40-R44 WeakPolarHBondContact O-CB 3.39Å; P40-R44 PolarHBondContact O-N 2.87Å
41L96.9Very high93.2Very high22 Ų2254.7 Ų54.712%0.11527%0.268CS..Hα-helixtrans-56.9-51.4176.4175.961.7000110.9E37 Q38 T39 A45 A76 R80 L285E37-L41 HydrophobicContact CB-CD2 4.1Å; E37-L41 HydrophobicContact CG-CD2 4.21Å; Q38-L41 WeakPolarHBondContact O-CB 3.27Å; Q38-L41 PolarHBondContact O-N 3.25Å; T39-L41 PolarHBondContact O-N 3.22Å; T39-L41 VanDerWaalsContact O-N 3.15Å; L41-A45 WeakPolarHBondContact O-CB 3.46Å; L41-A45 PolarHBondContact O-N 3.04Å; L41-A76 HydrophobicContact CD1-CB 4.29Å; L41-A76 HydrophobicContact CG-CB 4.13Å; L41-R80 HydrophobicContact CD1-CB 3.95Å; L41-R80 HydrophobicContact CD2-CB 4.26Å; L41-L285 HydrophobicContact CD1-CD1 3.95Å; L41-L285 HydrophobicContact CD1-CD2 4.05Å
42F96Very high92.7Very high0 Ų054 Ų540%027%0.265CS..Hα-helixtrans-76-38.9-176.2-58.2-62.5000112.5E37 T39 P40 R44 A45 I46 M57 T69 R71 P72 A76E37-F42 HydrophobicContact CB-CE2 3.68Å; E37-F42 HydrophobicContact CB-CZ 3.77Å; E37-F42 HydrophobicContact CG-CE2 4.5Å; E37-F42 HydrophobicContact CG-CZ 4.1Å; T39-F42 PolarHBondContact O-N 2.89Å; P40-F42 PolarHBondContact O-N 2.83Å; F42-R44 VanDerWaalsContact C-N 3.28Å; F42-R44 PolarHBondContact O-N 3.39Å; F42-A45 PolarHBondContact O-N 3.47Å; F42-I46 HydrophobicContact CB-CD1 4.18Å; F42-I46 HydrophobicContact CD1-CD1 4.31Å; F42-I46 WeakPolarHBondContact O-CB 3.4Å; F42-I46 PolarHBondContact O-N 3.37Å; F42-M57 HydrophobicContact CB-SD 3.79Å; F42-T69 HydrophobicContact CD2-CG2 3.69Å; F42-T69 HydrophobicContact CE2-CG2 3.93Å; F42-R71 HydrophobicContact CE1-CB 4.13Å; F42-R71 HydrophobicContact CE2-CB 4.33Å; F42-R71 HydrophobicContact CZ-CB 3.53Å; F42-P72 HydrophobicContact CD1-CG 4.05Å; F42-P72 HydrophobicContact CE1-CG 4.45Å; F42-P72 HydrophobicContact CG-CG 4.17Å; F42-A76 HydrophobicContact CD1-CB 4Å; F42-A76 HydrophobicContact CE1-CB 4.12Å
43K93.7Very high92.2Very high94 Ų9445.2 Ų45.241%0.40923%0.234SC..Hα-helixtrans-56.8-45.9174.4-73.2-170.2171.3-1730111.3T39 G47 V53 M57T39-K43 HydrophobicContact CG2-CD 4.25Å; T39-K43 HydrophobicContact CG2-CG 4.25Å; T39-K43 PolarHBondContact O-N 3.38Å; K43-G47 PolarHBondContact O-N 2.9Å; K43-V53 HydrophobicContact CG-CG1 3.92Å; K43-M57 HydrophobicContact CG-CE 4.17Å
44R92.7Very high91.7Very high142 Ų14248.6 Ų48.654%0.53625%0.249SC..Hα-helixtrans-72.2-41179.6-168.8171.4-179.4-174.7-8.6112.1P40 F42 Q284 L285P40-R44 WeakPolarHBondContact O-CB 3.39Å; P40-R44 PolarHBondContact O-N 2.87Å; F42-R44 VanDerWaalsContact C-N 3.28Å; F42-R44 PolarHBondContact O-N 3.39Å; R44-Q284 HydrophobicContact CG-CG 4.43Å; R44-Q284 PolarHBondContact NE-O 3.4Å; R44-Q284 PolarHBondContact NH2-O 3.28Å; R44-Q284 PolarHBondContact O-NE2 3.19Å; R44-L285 HydrophobicContact CB-CD2 4.12Å; R44-L285 HydrophobicContact CG-CD2 4.04Å
45A92.6Very high91.3Very high1 Ų150.7 Ų50.71%0.00825%0.252CS..Hα-helixtrans-72.6-53.5-177.600000112.9L41 F42 A76 Y253 L281 L285L41-A45 WeakPolarHBondContact O-CB 3.46Å; L41-A45 PolarHBondContact O-N 3.04Å; F42-A45 PolarHBondContact O-N 3.47Å; A45-A76 HydrophobicContact CB-CB 3.52Å; A45-Y253 WeakPolarHBondContact O-CD1 3.12Å; A45-L281 HydrophobicContact CB-CD1 3.87Å; A45-L285 HydrophobicContact CB-CD1 4.21Å; A45-L285 HydrophobicContact CB-CD2 4.17Å
46I90Very high91.1Very high0 Ų049 Ų490%024%0.243CC..Hα-helixtrans-79.9-33.7-167.7-62.2176.2000111.9F42 T50 V52 V53 P72 E73 L251 D252F42-I46 HydrophobicContact CB-CD1 4.18Å; F42-I46 HydrophobicContact CD1-CD1 4.31Å; F42-I46 WeakPolarHBondContact O-CB 3.4Å; F42-I46 PolarHBondContact O-N 3.37Å; I46-T50 HydrophobicContact CG2-CG2 3.88Å; I46-T50 VanDerWaalsContact CG2-OG1 3.28Å; I46-T50 WeakPolarHBondContact CG2-OG1 3.34Å; I46-T50 VanDerWaalsContact O-CG2 3.28Å; I46-T50 WeakPolarHBondContact O-CG2 3.17Å; I46-V52 HydrophobicContact CD1-CG1 3.83Å; I46-V52 HydrophobicContact CG2-CB 4.25Å; I46-V53 HydrophobicContact CB-CG2 3.95Å; I46-V53 HydrophobicContact CG2-CG2 4.05Å; I46-P72 HydrophobicContact CD1-CG 3.87Å; I46-E73 HydrophobicContact CD1-CG 3.74Å; I46-E73 HydrophobicContact CG1-CG 4.35Å; I46-L251 HydrophobicContact CG1-CD2 4.46Å; I46-L251 HydrophobicContact CG2-CD2 3.5Å; I46-L251 VanDerWaalsContact CG2-CD2 3.5Å; I46-D252 PolarHBondContact O-N 3.42Å
47G85.1Confident91Very high13 Ų1347.2 Ų47.213%0.13423%0.23CC..  trans106.3132.8-174.300000112.1K43 V49 T50 V53K43-G47 PolarHBondContact O-N 2.9Å; G47-V49 PolarHBondContact O-N 2.96Å; G47-T50 WeakPolarHBondContact O-CG2 3.46Å; G47-T50 PolarHBondContact O-N 3.19Å; G47-T50 PolarHBondContact O-OG1 2.9Å; G47-V53 WeakPolarHBondContact O-CB 3.33Å; G47-V53 VanDerWaalsContact O-CG2 3.32Å; G47-V53 WeakPolarHBondContact O-CG2 3.32Å
48E82.1Confident91Very high139 Ų13949.4 Ų49.465%0.6524%0.239SC*.THydrogen-bonded Turntrans-65.8-23.5-172.5-63.5-168.7156.300114.3E54E48-E54 WeakPolarHBondContact O-CG 3.28Å
49V81.4Confident90.9Very high56 Ų5648.3 Ų48.334%0.33924%0.238SC..THydrogen-bonded Turntrans-99.114.7-176.5-63.90000113.2G47 N193G47-V49 PolarHBondContact O-N 2.96Å; V49-N193 HydrophobicContact CG2-CB 4.12Å
50T84.4Confident90.9Very high0 Ų052.4 Ų52.40%026%0.255CS..SBendtrans-87.5149.4175.963.30000111I46 G47 V52 V53 E54I46-T50 HydrophobicContact CG2-CG2 3.88Å; I46-T50 VanDerWaalsContact CG2-OG1 3.28Å; I46-T50 WeakPolarHBondContact CG2-OG1 3.34Å; I46-T50 VanDerWaalsContact O-CG2 3.28Å; I46-T50 WeakPolarHBondContact O-CG2 3.17Å; G47-T50 WeakPolarHBondContact O-CG2 3.46Å; G47-T50 PolarHBondContact O-N 3.19Å; G47-T50 PolarHBondContact O-OG1 2.9Å; T50-V52 PolarHBondContact O-N 2.87Å; T50-V52 VanDerWaalsContact O-N 3.17Å; T50-V53 PolarHBondContact O-N 3.47Å; T50-V53 VanDerWaalsContact O-N 3.14Å; T50-V53 WeakPolarHBondContact OG1-CG2 3.44Å; T50-V53 PolarHBondContact OG1-N 2.82Å; T50-E54 WeakPolarHBondContact O-CB 3.39Å; T50-E54 WeakPolarHBondContact O-CG 3.36Å; T50-E54 PolarHBondContact O-N 3.26Å
51D86.2Confident91Very high51 Ų5155.8 Ų55.827%0.27326%0.264SS..Hα-helixtrans-57.5-33.6175.9-71.1-48.5000111.8V53 K55 E56 R189D51-V53 PolarHBondContact O-N 2.92Å; D51-K55 WeakPolarHBondContact O-CB 3.35Å; D51-K55 PolarHBondContact O-N 2.74Å; D51-K55 IonicContact OD1-NZ 3.23Å; D51-K55 PolarHBondContact OD1-NZ 2.84Å; D51-E56 WeakPolarHBondContact O-CG 3.26Å; D51-E56 PolarHBondContact O-N 2.84Å; D51-R189 VanDerWaalsContact CG-NH2 3.28Å; D51-R189 IonicContact OD1-NH2 3.44Å; D51-R189 PolarHBondContact OD1-NH2 3.29Å; D51-R189 VanDerWaalsContact OD1-NH2 3.15Å; D51-R189 IonicContact OD2-CZ 3.56Å; D51-R189 IonicContact OD2-NH1 3.65Å; D51-R189 IonicContact OD2-NH2 2.83Å; D51-R189 PolarHBondContact OD2-NH2 3.48Å
52V86.9Confident90.9Very high10 Ų1056.9 Ų56.96%0.06127%0.27CS..Iπ-helixtrans-57.3-53.6177.3177.40000110.4I46 T50 E56 M57 P72 L251I46-V52 HydrophobicContact CD1-CG1 3.83Å; I46-V52 HydrophobicContact CG2-CB 4.25Å; T50-V52 PolarHBondContact O-N 2.87Å; T50-V52 VanDerWaalsContact O-N 3.17Å; V52-E56 CarbonylContact O-C 3Å; V52-E56 WeakPolarHBondContact O-CA 3.07Å; V52-E56 PolarHBondContact O-N 3.23Å; V52-E56 VanDerWaalsContact O-N 3.07Å; V52-M57 HydrophobicContact CG1-CG 4.42Å; V52-M57 WeakPolarHBondContact O-CG 3.22Å; V52-M57 PolarHBondContact O-N 2.85Å; V52-P72 HydrophobicContact CG1-CB 3.63Å; V52-P72 HydrophobicContact CG1-CG 3.79Å; V52-L251 HydrophobicContact CG2-CD2 4.24Å
53V88Confident90.9Very high18 Ų1868.9 Ų68.911%0.10932%0.316CS..Iπ-helixtrans-74.4-40-176.4174.80000112K43 I46 G47 T50 D51 M57K43-V53 HydrophobicContact CG-CG1 3.92Å; I46-V53 HydrophobicContact CB-CG2 3.95Å; I46-V53 HydrophobicContact CG2-CG2 4.05Å; G47-V53 WeakPolarHBondContact O-CB 3.33Å; G47-V53 VanDerWaalsContact O-CG2 3.32Å; G47-V53 WeakPolarHBondContact O-CG2 3.32Å; T50-V53 PolarHBondContact O-N 3.47Å; T50-V53 VanDerWaalsContact O-N 3.14Å; T50-V53 WeakPolarHBondContact OG1-CG2 3.44Å; T50-V53 PolarHBondContact OG1-N 2.82Å; D51-V53 PolarHBondContact O-N 2.92Å; V53-M57 HydrophobicContact CB-CE 4.31Å; V53-M57 HydrophobicContact CG1-CE 3.86Å; V53-M57 HydrophobicContact CG2-CE 4.47Å; V53-M57 HydrophobicContact CG2-SD 4.26Å
54E88Confident90.9Very high92 Ų9270.9 Ų70.943%0.4333%0.331SS..Iπ-helixtrans-72.5-34.6-176.8-70.1-171.915500113.3E48 T50E48-E54 WeakPolarHBondContact O-CG 3.28Å; T50-E54 WeakPolarHBondContact O-CB 3.39Å; T50-E54 WeakPolarHBondContact O-CG 3.36Å; T50-E54 PolarHBondContact O-N 3.26Å
55K89.5Confident91Very high102 Ų10266.1 Ų66.144%0.44333%0.326SS..Iπ-helixtrans-134.7-22.3-163.2-60.1168.2-165.7156.30114.8D51D51-K55 WeakPolarHBondContact O-CB 3.35Å; D51-K55 PolarHBondContact O-N 2.74Å; D51-K55 IonicContact OD1-NZ 3.23Å; D51-K55 PolarHBondContact OD1-NZ 2.84Å
56E93.3Very high91.2Very high32 Ų3269.8 Ų69.815%0.1535%0.345CS..Iπ-helixtrans-112-14.1-165.7-54.9173.9172.900114.6D51 V52 Y58 R103 H104 E105D51-E56 WeakPolarHBondContact O-CG 3.26Å; D51-E56 PolarHBondContact O-N 2.84Å; V52-E56 CarbonylContact O-C 3Å; V52-E56 WeakPolarHBondContact O-CA 3.07Å; V52-E56 PolarHBondContact O-N 3.23Å; V52-E56 VanDerWaalsContact O-N 3.07Å; E56-Y58 PolarHBondContact O-N 3.49Å; E56-R103 HydrophobicContact CB-CB 4.07Å; E56-R103 CarbonylContact O-C 3.57Å; E56-R103 WeakPolarHBondContact O-CA 2.97Å; E56-H104 PolarHBondContact O-N 3.32Å; E56-E105 HydrophobicContact CG-CG 4.29Å; E56-E105 WeakPolarHBondContact OE1-CG 3.43Å
57M96.1Very high91.6Very high27 Ų2771.9 Ų71.913%0.13336%0.36CS..  trans-68.5135.5179.3-69.7-167-51.300112.5T39 F42 K43 V52 V53 T59 T69 P72T39-M57 HydrophobicContact CG2-CE 4.19Å; F42-M57 HydrophobicContact CB-SD 3.79Å; K43-M57 HydrophobicContact CG-CE 4.17Å; V52-M57 HydrophobicContact CG1-CG 4.42Å; V52-M57 WeakPolarHBondContact O-CG 3.22Å; V52-M57 PolarHBondContact O-N 2.85Å; V53-M57 HydrophobicContact CB-CE 4.31Å; V53-M57 HydrophobicContact CG1-CE 3.86Å; V53-M57 HydrophobicContact CG2-CE 4.47Å; V53-M57 HydrophobicContact CG2-SD 4.26Å; M57-T59 PolarHBondContact O-N 3.13Å; M57-T69 HydrophobicContact CB-CG2 4.08Å; M57-T69 HydrophobicContact CG-CG2 4.21Å; M57-T69 HydrophobicContact SD-CG2 4.05Å; M57-P72 HydrophobicContact CG-CG 4.43Å
58Y96.9Very high92.2Very high66 Ų6672.7 Ų72.726%0.25936%0.361SS..EExtended strand (participates in β ladder)trans-87.985.6165.6-77.2-83.1000109.6E56 T69 L70 F102 H104 R113E56-Y58 PolarHBondContact O-N 3.49Å; Y58-T69 WeakPolarHBondContact O-CA 3.06Å; Y58-L70 HydrophobicContact CG-CD1 4.45Å; Y58-L70 PolarHBondContact O-N 2.9Å; Y58-F102 HydrophobicContact CD2-CB 3.76Å; Y58-F102 HydrophobicContact CE2-CB 4.35Å; Y58-H104 HydrophobicContact CE2-CB 4.07Å; Y58-H104 AromaticContact CZ-CD2 3.87Å; Y58-H104 PolarHBondContact OH-CD2 2.71Å; Y58-R113 HydrophobicContact CE2-CB 4.35Å; Y58-R113 WeakPolarHBondContact OH-CB 3.25Å; Y58-R113 WeakPolarHBondContact OH-CD 3.25Å; Y58-R113 VanDerWaalsContact OH-CG 3.29Å; Y58-R113 WeakPolarHBondContact OH-CG 3.31Å
59T96.8Very high93Very high65 Ų6566.1 Ų66.140%0.39933%0.33SS..EExtended strand (participates in β ladder)trans-102.4138.6-179-58.40000111.4T39 M57 S67 L68 T69T39-T59 HydrophobicContact CG2-CG2 3.99Å; T39-T59 WeakPolarHBondContact OG1-CG2 3.42Å; M57-T59 PolarHBondContact O-N 3.13Å; T59-S67 WeakPolarHBondContact CG2-OG 3.2Å; T59-L68 CarbonylContact C-O 3.59Å; T59-L68 VanDerWaalsContact CA-O 3.29Å; T59-L68 WeakPolarHBondContact CA-O 3.24Å; T59-T69 PolarHBondContact OG1-OG1 2.9Å
60F97.3Very high93.8Very high88 Ų8865.2 Ų65.239%0.38632%0.323SS..EExtended strand (participates in β ladder)trans-147.8157.9177.553.4-87.6000110.7V36 L68 L70V36-F60 HydrophobicContact CG1-CZ 3.91Å; F60-L68 HydrophobicContact CD2-CB 4.24Å; F60-L68 HydrophobicContact CE2-CB 3.79Å; F60-L68 HydrophobicContact CE2-CD1 4.12Å; F60-L68 HydrophobicContact CZ-CB 4.01Å; F60-L68 PolarHBondContact N-O 3.22Å; F60-L68 PolarHBondContact O-N 2.87Å; F60-L68 VanDerWaalsContact O-O 3.12Å; F60-L70 HydrophobicContact CE1-CD2 3.88Å; F60-L70 HydrophobicContact CE1-CG 4.06Å; F60-L70 HydrophobicContact CZ-CD2 4.28Å
61E97.5Very high94.4Very high153 Ų15365.8 Ų65.872%0.71533%0.326SS*.EExtended strand (participates in β ladder)trans-85137.5170.2-67.6-179.8173.400109.7D66E61-D66 CarbonylContact C-O 3.49Å; E61-D66 WeakPolarHBondContact CA-O 3.3Å
62D95Very high94.9Very high46 Ų4663.4 Ų63.425%0.24631%0.313CS..  trans-75.9-176.8168.995.9-28.1000110.9N64 G65 D66 L68D62-N64 PolarHBondContact O-N 3.46Å; D62-N64 VanDerWaalsContact OD1-CA 3.3Å; D62-N64 WeakPolarHBondContact OD1-CA 3.43Å; D62-N64 WeakPolarHBondContact OD1-CB 3.33Å; D62-N64 PolarHBondContact OD1-N 2.99Å; D62-N64 PolarHBondContact OD2-ND2 2.81Å; D62-G65 PolarHBondContact O-N 2.85Å; D62-G65 PolarHBondContact OD1-N 3.26Å; D62-D66 PolarHBondContact N-O 2.91Å; D62-D66 WeakPolarHBondContact OD1-CB 3.34Å; D62-D66 PolarHBondContact OD1-N 3.28Å; D62-L68 HydrophobicContact CB-CD1 3.62Å; D62-L68 HydrophobicContact CB-CG 4.15Å
63R94.8Very high95.3Very high252 Ų25263.1 Ų63.195%0.95131%0.311SS*.THydrogen-bonded Turntrans-67.8-18-179.1-70.1-176178.3-177.2-0.4114
64N95Very high95.8Very high136 Ų13662.2 Ų62.273%0.72731%0.306SS*.THydrogen-bonded Turntrans-97.5-4.1178.6-54.9-50.1000112.3D62D62-N64 PolarHBondContact O-N 3.46Å; D62-N64 VanDerWaalsContact OD1-CA 3.3Å; D62-N64 WeakPolarHBondContact OD1-CA 3.43Å; D62-N64 WeakPolarHBondContact OD1-CB 3.33Å; D62-N64 PolarHBondContact OD1-N 2.99Å; D62-N64 PolarHBondContact OD2-ND2 2.81Å
65G95.2Very high96.3Very high42 Ų4258 Ų5843%0.43329%0.286SS..SBendtrans88.57.3-174.700000114D62D62-G65 PolarHBondContact O-N 2.85Å; D62-G65 PolarHBondContact OD1-N 3.26Å
66D96.7Very high96.7Very high77 Ų7753.1 Ų53.141%0.41227%0.265SS..  trans-70.5132.1174.7-69.1-35.4000109.9E61 D62 L68E61-D66 CarbonylContact C-O 3.49Å; E61-D66 WeakPolarHBondContact CA-O 3.3Å; D62-D66 PolarHBondContact N-O 2.91Å; D62-D66 WeakPolarHBondContact OD1-CB 3.34Å; D62-D66 PolarHBondContact OD1-N 3.28Å; D66-L68 PolarHBondContact O-N 3.32Å
67S97.8Very high96.9Very high45 Ų4551.8 Ų51.832%0.31526%0.259SS..EExtended strand (participates in β ladder)trans-80.6111.4178.8-172.90000110.6Q38 T39 T59Q38-S67 PolarHBondContact OE1-O 2.64Å; T39-S67 WeakPolarHBondContact CB-O 3.2Å; T39-S67 WeakPolarHBondContact CB-OG 3.48Å; T39-S67 PolarHBondContact N-O 3.42Å; T39-S67 VanDerWaalsContact OG1-C 3.22Å; T39-S67 PolarHBondContact OG1-O 3.1Å; T39-S67 PolarHBondContact OG1-OG 3.05Å; T59-S67 WeakPolarHBondContact CG2-OG 3.2Å
68L97.9Very high97Very high30 Ų3050.5 Ų50.516%0.15725%0.253CS..EExtended strand (participates in β ladder)trans-109.8150.9178.8-59-177.7000111.2V36 E37 T39 T59 F60 D62 D66V36-L68 HydrophobicContact CG1-CB 3.78Å; V36-L68 HydrophobicContact CG1-CD1 3.83Å; V36-L68 HydrophobicContact CG1-CG 4.27Å; E37-L68 WeakPolarHBondContact O-CA 3.34Å; T39-L68 VanDerWaalsContact OG1-C 3.25Å; T39-L68 PolarHBondContact OG1-N 3.45Å; T39-L68 PolarHBondContact OG1-O 3.46Å; T59-L68 CarbonylContact C-O 3.59Å; T59-L68 VanDerWaalsContact CA-O 3.29Å; T59-L68 WeakPolarHBondContact CA-O 3.24Å; F60-L68 HydrophobicContact CD2-CB 4.24Å; F60-L68 HydrophobicContact CE2-CB 3.79Å; F60-L68 HydrophobicContact CE2-CD1 4.12Å; F60-L68 HydrophobicContact CZ-CB 4.01Å; F60-L68 PolarHBondContact N-O 3.22Å; F60-L68 PolarHBondContact O-N 2.87Å; F60-L68 VanDerWaalsContact O-O 3.12Å; D62-L68 HydrophobicContact CB-CD1 3.62Å; D62-L68 HydrophobicContact CB-CG 4.15Å; D66-L68 PolarHBondContact O-N 3.32Å
69T98.1Very high97.1Very high0 Ų047.3 Ų47.30%024%0.241CC..EExtended strand (participates in β ladder)trans-134137178.6-70.50000110.7E37 T39 F42 M57 Y58 T59 R71E37-T69 PolarHBondContact N-O 2.87Å; E37-T69 PolarHBondContact O-N 3.32Å; T39-T69 WeakPolarHBondContact CB-OG1 3.36Å; T39-T69 PolarHBondContact OG1-OG1 2.82Å; F42-T69 HydrophobicContact CD2-CG2 3.69Å; F42-T69 HydrophobicContact CE2-CG2 3.93Å; M57-T69 HydrophobicContact CB-CG2 4.08Å; M57-T69 HydrophobicContact CG-CG2 4.21Å; M57-T69 HydrophobicContact SD-CG2 4.05Å; Y58-T69 WeakPolarHBondContact O-CA 3.06Å; T59-T69 PolarHBondContact OG1-OG1 2.9Å; T69-R71 PolarHBondContact O-N 3.48Å
70L98.1Very high97.1Very high37 Ų3745.9 Ų45.919%0.19423%0.228CC..EExtended strand (participates in β ladder)trans-69.9125.4164.8-54.2-176.6000108.6I35 V36 Y58 F60 P72 F102I35-L70 HydrophobicContact CG2-CD2 4.25Å; I35-L70 CarbonylContact O-C 3.54Å; I35-L70 WeakPolarHBondContact O-CA 3.45Å; V36-L70 HydrophobicContact CG2-CD2 3.88Å; Y58-L70 HydrophobicContact CG-CD1 4.45Å; Y58-L70 PolarHBondContact O-N 2.9Å; F60-L70 HydrophobicContact CE1-CD2 3.88Å; F60-L70 HydrophobicContact CE1-CG 4.06Å; F60-L70 HydrophobicContact CZ-CD2 4.28Å; L70-P72 WeakPolarHBondContact O-CD 3.39Å; L70-F102 HydrophobicContact CB-CB 3.76Å; L70-F102 HydrophobicContact CB-CD1 4.38Å; L70-F102 HydrophobicContact CB-CD2 3.65Å; L70-F102 HydrophobicContact CB-CE2 4.37Å; L70-F102 HydrophobicContact CB-CG 3.67Å; L70-F102 HydrophobicContact CD1-CB 4.33Å; L70-F102 HydrophobicContact CD1-CD1 3.65Å; L70-F102 HydrophobicContact CD1-CD2 4.27Å; L70-F102 HydrophobicContact CD1-CE1 3.94Å; L70-F102 HydrophobicContact CD1-CG 3.82Å; L70-F102 HydrophobicContact CD1-CZ 4.39Å; L70-F102 HydrophobicContact CG-CG 4.39Å
71R97.5Very high97.2Very high13 Ų1341.9 Ų41.95%0.04921%0.211CC..  trans-54.2124.7-171.765.1171.6-174-149.98.3112.6L33 P34 I35 F42 T69 P100 M101 F102L33-R71 PolarHBondContact O-NH1 3.48Å; P34-R71 WeakPolarHBondContact O-CD 3.29Å; P34-R71 PolarHBondContact O-NH1 3.39Å; I35-R71 PolarHBondContact O-N 3.42Å; F42-R71 HydrophobicContact CE1-CB 4.13Å; F42-R71 HydrophobicContact CE2-CB 4.33Å; F42-R71 HydrophobicContact CZ-CB 3.53Å; T69-R71 PolarHBondContact O-N 3.48Å; R71-P100 PolarHBondContact NE-O 3.07Å; R71-P100 PolarHBondContact NH2-O 3.43Å; R71-P100 VanDerWaalsContact NH2-O 3.07Å; R71-M101 VanDerWaalsContact CD-SD 3.51Å; R71-M101 HydrophobicContact CG-SD 3.66Å; R71-M101 PolarHBondContact NE-SD 2.83Å; R71-M101 CarbonylContact O-C 3.3Å; R71-M101 WeakPolarHBondContact O-CA 3.47Å; R71-F102 PolarHBondContact O-N 3.42Å
72P96.9Very high97.2Very high0 Ų034.6 Ų34.60%018%0.177CC..SBendtrans-83.4-15.7175.232.4-34.5000113.1F42 I46 V52 M57 L70 F102 R103F42-P72 HydrophobicContact CD1-CG 4.05Å; F42-P72 HydrophobicContact CE1-CG 4.45Å; F42-P72 HydrophobicContact CG-CG 4.17Å; I46-P72 HydrophobicContact CD1-CG 3.87Å; V52-P72 HydrophobicContact CG1-CB 3.63Å; V52-P72 HydrophobicContact CG1-CG 3.79Å; M57-P72 HydrophobicContact CG-CG 4.43Å; L70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-F102 VanDerWaalsContact CA-O 3.24Å; P72-F102 WeakPolarHBondContact CA-O 3.48Å; P72-F102 WeakPolarHBondContact CB-O 3.31Å; P72-R103 HydrophobicContact CB-CG 4Å; P72-R103 PolarHBondContact O-NE 3.42Å; P72-R103 PolarHBondContact O-NH2 2.83Å; P72-R103 VanDerWaalsContact O-NH2 3.1Å
73E95.9Very high97.3Very high4 Ų434.8 Ų34.82%0.01918%0.178CC..  trans-161.3170.3-17862.985.4-14600110.1I46 T75 A76 M101I46-E73 HydrophobicContact CD1-CG 3.74Å; I46-E73 HydrophobicContact CG1-CG 4.35Å; E73-T75 WeakPolarHBondContact OE2-CA 3.43Å; E73-T75 WeakPolarHBondContact OE2-CB 3.38Å; E73-T75 PolarHBondContact OE2-N 3.24Å; E73-T75 PolarHBondContact OE2-OG1 3.2Å; E73-A76 WeakPolarHBondContact OE1-CB 3.38Å; E73-A76 PolarHBondContact OE1-N 2.63Å; E73-M101 VanDerWaalsContact C-SD 3.54Å
74G97.7Very high97.4Very high0 Ų028.9 Ų28.90%016%0.161CC..SBendtrans-105.2-19.1-171.800000115.8L33 G77 C78 Y97L33-G74 VanDerWaalsContact CD1-O 3.28Å; L33-G74 WeakPolarHBondContact CD1-O 3.35Å; G74-G77 PolarHBondContact O-N 3.03Å; G74-C78 WeakPolarHBondContact O-CB 3.28Å; G74-C78 PolarHBondContact O-N 2.95Å; G74-Y97 VanDerWaalsContact C-CZ 3.48Å; G74-Y97 VanDerWaalsContact CA-CZ 3.5Å
75T98.1Very high97.5Very high3 Ų328.9 Ų28.92%0.01816%0.156CC..Hα-helixtrans-62.8-48.4-175.4-55.60000110.8E73 G77 C78 V79 Y97 E121 Y278 L281E73-T75 WeakPolarHBondContact OE2-CA 3.43Å; E73-T75 WeakPolarHBondContact OE2-CB 3.38Å; E73-T75 PolarHBondContact OE2-N 3.24Å; E73-T75 PolarHBondContact OE2-OG1 3.2Å; T75-G77 VanDerWaalsContact C-N 3.34Å; T75-G77 PolarHBondContact O-N 2.85Å; T75-C78 WeakPolarHBondContact O-CB 3.4Å; T75-C78 PolarHBondContact O-N 3.45Å; T75-C78 VanDerWaalsContact O-N 3.11Å; T75-V79 HydrophobicContact CG2-CG2 4.45Å; T75-V79 WeakPolarHBondContact O-CG2 3.08Å; T75-V79 PolarHBondContact O-N 3.02Å; T75-Y97 PolarHBondContact N-OH 3.33Å; T75-Y97 PolarHBondContact OG1-OH 2.98Å; T75-E121 WeakPolarHBondContact CA-OE1 3.12Å; T75-E121 WeakPolarHBondContact CB-OE1 3.24Å; T75-E121 PolarHBondContact OG1-OE1 3.34Å; T75-Y278 HydrophobicContact CG2-CD2 4.37Å; T75-Y278 HydrophobicContact CG2-CE1 4.25Å; T75-Y278 HydrophobicContact CG2-CE2 3.92Å; T75-L281 HydrophobicContact CG2-CD2 3.89Å
76A97.3Very high97.5Very high0 Ų028.9 Ų28.90%016%0.157CC..Hα-helixtrans-60.8-42.1179.400000112.6L41 F42 A45 E73 C78 V79 R80L41-A76 HydrophobicContact CD1-CB 4.29Å; L41-A76 HydrophobicContact CG-CB 4.13Å; F42-A76 HydrophobicContact CD1-CB 4Å; F42-A76 HydrophobicContact CE1-CB 4.12Å; A45-A76 HydrophobicContact CB-CB 3.52Å; E73-A76 WeakPolarHBondContact OE1-CB 3.38Å; E73-A76 PolarHBondContact OE1-N 2.63Å; A76-C78 VanDerWaalsContact C-N 3.33Å; A76-C78 PolarHBondContact O-N 2.93Å; A76-V79 PolarHBondContact O-N 2.96Å; A76-R80 WeakPolarHBondContact O-CB 3.47Å; A76-R80 PolarHBondContact O-N 3.38Å
77G98.1Very high97.5Very high3 Ų327.7 Ų27.73%0.03115%0.15CC..Hα-helixtrans-64.1-38.5175.300000112.3G74 T75 R80 A81G74-G77 PolarHBondContact O-N 3.03Å; T75-G77 VanDerWaalsContact C-N 3.34Å; T75-G77 PolarHBondContact O-N 2.85Å; G77-R80 PolarHBondContact O-NH2 3.12Å; G77-A81 WeakPolarHBondContact O-CB 3.32Å; G77-A81 PolarHBondContact O-N 2.84Å
78C98.5Very high97.4Very high0 Ų025.9 Ų25.90%014%0.136CC..Hα-helixtrans-65.2-44.7176.4-167.60000111.6L33 G74 T75 A76 A81 G82 Y97 E121L33-C78 HydrophobicContact CD1-CB 4.02Å; G74-C78 WeakPolarHBondContact O-CB 3.28Å; G74-C78 PolarHBondContact O-N 2.95Å; T75-C78 WeakPolarHBondContact O-CB 3.4Å; T75-C78 PolarHBondContact O-N 3.45Å; T75-C78 VanDerWaalsContact O-N 3.11Å; A76-C78 VanDerWaalsContact C-N 3.33Å; A76-C78 PolarHBondContact O-N 2.93Å; C78-A81 PolarHBondContact O-N 3.12Å; C78-G82 PolarHBondContact O-N 2.82Å; C78-Y97 HydrophobicContact CB-CD1 4.28Å; C78-Y97 HydrophobicContact CB-CE1 4.05Å; C78-E121 HydrophobicContact CB-CG 4.14Å
79V98.3Very high96.9Very high0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-63-47.9176.9175.20000110.8T75 A76 A81 G82 I83 F123 L281 V282 L285T75-V79 HydrophobicContact CG2-CG2 4.45Å; T75-V79 WeakPolarHBondContact O-CG2 3.08Å; T75-V79 PolarHBondContact O-N 3.02Å; A76-V79 PolarHBondContact O-N 2.96Å; V79-A81 PolarHBondContact O-N 3.46Å; V79-G82 PolarHBondContact O-N 3.4Å; V79-I83 HydrophobicContact CG1-CD1 3.76Å; V79-I83 HydrophobicContact CG1-CG1 4.39Å; V79-I83 WeakPolarHBondContact O-CG1 3.42Å; V79-I83 PolarHBondContact O-N 3.1Å; V79-F123 HydrophobicContact CG2-CE1 3.84Å; V79-F123 HydrophobicContact CG2-CZ 3.95Å; V79-L281 HydrophobicContact CG2-CD2 3.98Å; V79-L281 HydrophobicContact CG2-CG 4.26Å; V79-V282 HydrophobicContact CG1-CB 4.34Å; V79-V282 HydrophobicContact CG1-CG2 4Å; V79-L285 HydrophobicContact CB-CD1 3.93Å; V79-L285 HydrophobicContact CG1-CB 4.31Å; V79-L285 HydrophobicContact CG1-CD1 3.65Å; V79-L285 HydrophobicContact CG1-CG 4.49Å
80R98.1Very high96.3Very high34 Ų3437.7 Ų37.713%0.12819%0.191CC..Hα-helixtrans-53.4-52.7174.9178.5-153.248.9626.9110.9E37 L41 A76 G77 G82 I83 E84E37-R80 IonicContact OE1-CZ 2.87Å; E37-R80 VanDerWaalsContact OE1-CZ 3.29Å; E37-R80 IonicContact OE1-NE 3.05Å; E37-R80 PolarHBondContact OE1-NE 2.91Å; E37-R80 IonicContact OE1-NH2 2.73Å; E37-R80 PolarHBondContact OE1-NH2 2.95Å; E37-R80 IonicContact OE2-NE 3.24Å; E37-R80 PolarHBondContact OE2-NE 3.06Å; E37-R80 VanDerWaalsContact OE2-NE 3.14Å; L41-R80 HydrophobicContact CD1-CB 3.95Å; L41-R80 HydrophobicContact CD2-CB 4.26Å; A76-R80 WeakPolarHBondContact O-CB 3.47Å; A76-R80 PolarHBondContact O-N 3.38Å; G77-R80 PolarHBondContact O-NH2 3.12Å; R80-G82 VanDerWaalsContact C-N 3.27Å; R80-G82 PolarHBondContact O-N 3.01Å; R80-I83 PolarHBondContact O-N 2.88Å; R80-I83 VanDerWaalsContact O-N 3.13Å; R80-E84 HydrophobicContact CG-CG 4.27Å; R80-E84 WeakPolarHBondContact CG-OE1 3.27Å; R80-E84 IonicContact CZ-OE2 2.64Å; R80-E84 IonicContact NH1-OE2 3.98Å; R80-E84 PolarHBondContact NH1-OE2 3.37Å; R80-E84 WeakPolarHBondContact O-CG 3.5Å; R80-E84 PolarHBondContact O-N 3.3Å
81A98.2Very high96Very high5 Ų540.4 Ų40.44%0.04120%0.203CC..Hα-helixtrans-59.5-40.6-179.700000111.9I31 L33 G77 C78 V79 I83 H85I31-A81 HydrophobicContact CD1-CB 3.89Å; L33-A81 HydrophobicContact CD2-CB 3.88Å; G77-A81 WeakPolarHBondContact O-CB 3.32Å; G77-A81 PolarHBondContact O-N 2.84Å; C78-A81 PolarHBondContact O-N 3.12Å; V79-A81 PolarHBondContact O-N 3.46Å; A81-I83 PolarHBondContact O-N 3.48Å; A81-H85 WeakPolarHBondContact O-CB 2.94Å; A81-H85 PolarHBondContact O-CD2 3.04Å; A81-H85 VanDerWaalsContact O-CD2 3.26Å; A81-H85 PolarHBondContact O-N 3.22Å; A81-H85 VanDerWaalsContact O-N 3.08Å
82G97.9Very high95.9Very high0 Ų044.2 Ų44.20%022%0.221CC..Hα-helixtrans-61.8-40.7175.500000113.3C78 V79 R80 G86 L87C78-G82 PolarHBondContact O-N 2.82Å; V79-G82 PolarHBondContact O-N 3.4Å; R80-G82 VanDerWaalsContact C-N 3.27Å; R80-G82 PolarHBondContact O-N 3.01Å; G82-G86 PolarHBondContact O-N 2.98Å; G82-L87 PolarHBondContact O-N 3.24Å
83I97.4Very high95.9Very high50 Ų5046.1 Ų46.126%0.25623%0.23SC..Hα-helixtrans-68.4-53.6177.6-66165.5000110.6V79 R80 A81 H85 G86 L88 V282 L285V79-I83 HydrophobicContact CG1-CD1 3.76Å; V79-I83 HydrophobicContact CG1-CG1 4.39Å; V79-I83 WeakPolarHBondContact O-CG1 3.42Å; V79-I83 PolarHBondContact O-N 3.1Å; R80-I83 PolarHBondContact O-N 2.88Å; R80-I83 VanDerWaalsContact O-N 3.13Å; A81-I83 PolarHBondContact O-N 3.48Å; I83-H85 VanDerWaalsContact C-N 3.26Å; I83-H85 PolarHBondContact O-N 3.48Å; I83-G86 PolarHBondContact O-N 3.05Å; I83-G86 VanDerWaalsContact O-N 3.15Å; I83-L88 HydrophobicContact CG1-CD1 4.05Å; I83-V282 HydrophobicContact CD1-CG1 4.21Å; I83-V282 HydrophobicContact CG1-CG1 4.12Å; I83-L285 HydrophobicContact CD1-CB 3.91Å
84E97.4Very high96.1Very high128 Ų12848.7 Ų48.760%0.59824%0.24SC*.Hα-helixtrans-63.2-31.7-174.6-72.8176.2173.100113R80R80-E84 HydrophobicContact CG-CG 4.27Å; R80-E84 WeakPolarHBondContact CG-OE1 3.27Å; R80-E84 IonicContact CZ-OE2 2.64Å; R80-E84 IonicContact NH1-OE2 3.98Å; R80-E84 PolarHBondContact NH1-OE2 3.37Å; R80-E84 WeakPolarHBondContact O-CG 3.5Å; R80-E84 PolarHBondContact O-N 3.3Å
85H97.1Very high96.1Very high135 Ų13549.2 Ų49.263%0.62524%0.242SC*.THydrogen-bonded Turntrans-100.98.7179.1-63-65.8000113.8A81 I83 L87A81-H85 WeakPolarHBondContact O-CB 2.94Å; A81-H85 PolarHBondContact O-CD2 3.04Å; A81-H85 VanDerWaalsContact O-CD2 3.26Å; A81-H85 PolarHBondContact O-N 3.22Å; A81-H85 VanDerWaalsContact O-N 3.08Å; I83-H85 VanDerWaalsContact C-N 3.26Å; I83-H85 PolarHBondContact O-N 3.48Å; H85-L87 VanDerWaalsContact C-N 3.28Å; H85-L87 HydrophobicContact CB-CD1 4.47Å; H85-L87 HydrophobicContact CB-CD2 4.5Å; H85-L87 HydrophobicContact CB-CG 4.1Å; H85-L87 PolarHBondContact O-N 2.82Å
86G95.7Very high96.1Very high43 Ų4350.1 Ų50.144%0.44325%0.245SC..THydrogen-bonded Turntrans64.627.5174.400000114.7G82 I83 Q91G82-G86 PolarHBondContact O-N 2.98Å; I83-G86 PolarHBondContact O-N 3.05Å; I83-G86 VanDerWaalsContact O-N 3.15Å; G86-Q91 PolarHBondContact O-NE2 2.96Å; G86-Q91 VanDerWaalsContact O-NE2 3.17Å
87L96.3Very high96.2Very high52 Ų5250.2 Ų50.227%0.27225%0.246SC..  trans-78.6-24.6-176.2-56.8-179.7000112.9G82 H85 Q91 Q93G82-L87 PolarHBondContact O-N 3.24Å; H85-L87 VanDerWaalsContact C-N 3.28Å; H85-L87 HydrophobicContact CB-CD1 4.47Å; H85-L87 HydrophobicContact CB-CD2 4.5Å; H85-L87 HydrophobicContact CB-CG 4.1Å; H85-L87 PolarHBondContact O-N 2.82Å; L87-Q91 WeakPolarHBondContact O-CB 3.03Å; L87-Q93 HydrophobicContact CB-CG 4.24Å; L87-Q93 WeakPolarHBondContact O-CG 3.35Å; L87-Q93 PolarHBondContact O-NE2 3.23Å
88L94.8Very high96.2Very high6 Ų651.9 Ų51.93%0.03125%0.254CS..SBendtrans-94.4-30.5-166.2-53.9-174.4000114.3I83 N90 Q93 F123 V282 T290I83-L88 HydrophobicContact CG1-CD1 4.05Å; L88-N90 PolarHBondContact O-N 3.44Å; L88-Q93 HydrophobicContact CD2-CG 4.42Å; L88-F123 HydrophobicContact CD1-CD1 4.3Å; L88-F123 HydrophobicContact CD1-CE1 4.45Å; L88-F123 HydrophobicContact CD2-CB 3.81Å; L88-F123 HydrophobicContact CD2-CD1 3.93Å; L88-F123 HydrophobicContact CD2-CD2 3.65Å; L88-F123 HydrophobicContact CD2-CE1 4.43Å; L88-F123 HydrophobicContact CD2-CE2 4.17Å; L88-F123 HydrophobicContact CD2-CG 3.51Å; L88-V282 HydrophobicContact CD1-CG1 3.7Å; L88-V282 HydrophobicContact CD1-CG2 4.04Å; L88-T290 HydrophobicContact CB-CG2 4.31Å
89Y87Confident96.2Very high130 Ų13052.4 Ų52.451%0.5126%0.259SS..THydrogen-bonded Turntrans-72.2122.3-171.8177.6-117.4000111.6Q91 R288Y89-Q91 PolarHBondContact O-N 2.88Å; Y89-Q91 PolarHBondContact O-NE2 3Å; Y89-R288 HydrophobicContact CD2-CB 4.1Å; Y89-R288 HydrophobicContact CD2-CG 4.24Å; Y89-R288 PolarHBondContact OH-NH1 3.32Å
90N86.5Confident96.1Very high149 Ų14953.6 Ų53.680%0.79727%0.267SS*.THydrogen-bonded Turntrans53.233178.2-162.145.5000113.6L88L88-N90 PolarHBondContact O-N 3.44Å
91Q91.1Very high96.1Very high93 Ų9352 Ų5244%0.43526%0.26SS..  trans-138.3146.1-177.3-74.3174.17900109.8G86 L87 Y89G86-Q91 PolarHBondContact O-NE2 2.96Å; G86-Q91 VanDerWaalsContact O-NE2 3.17Å; L87-Q91 WeakPolarHBondContact O-CB 3.03Å; Y89-Q91 PolarHBondContact O-N 2.88Å; Y89-Q91 PolarHBondContact O-NE2 3Å
92E95.7Very high96Very high94 Ų9452.7 Ų52.744%0.43926%0.263SS..  trans-86.4130.6164.2178.4-177.9159.200108.7R94 F123 L125E92-R94 IonicContact OE1-CZ 3.83Å; E92-R94 VanDerWaalsContact OE1-CZ 3.24Å; E92-R94 IonicContact OE1-NE 3.75Å; E92-R94 PolarHBondContact OE1-NE 2.94Å; E92-R94 IonicContact OE1-NH2 3.98Å; E92-R94 PolarHBondContact OE1-NH2 2.78Å; E92-F123 WeakPolarHBondContact CA-O 3.43Å; E92-L125 HydrophobicContact CG-CD1 4.03Å; E92-L125 HydrophobicContact CG-CD2 4.38Å; E92-L125 HydrophobicContact CG-CG 4.02Å
93Q97.8Very high95.9Very high40 Ų4054.9 Ų54.919%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-128.8132.8174.2-64.4-64.7-18.900110.2L87 L88 L95 V122 F123L87-Q93 HydrophobicContact CB-CG 4.24Å; L87-Q93 WeakPolarHBondContact O-CG 3.35Å; L87-Q93 PolarHBondContact O-NE2 3.23Å; L88-Q93 HydrophobicContact CD2-CG 4.42Å; Q93-L95 HydrophobicContact CB-CD1 4.38Å; Q93-L95 HydrophobicContact CB-CG 4.26Å; Q93-V122 CarbonylContact O-C 3.51Å; Q93-V122 VanDerWaalsContact O-CA 3.26Å; Q93-V122 WeakPolarHBondContact O-CA 3.4Å; Q93-F123 HydrophobicContact CB-CB 4.3Å; Q93-F123 HydrophobicContact CB-CD2 4.15Å; Q93-F123 PolarHBondContact N-O 3.12Å; Q93-F123 VanDerWaalsContact N-O 3.07Å; Q93-F123 PolarHBondContact O-N 3.48Å
94R98.6Very high95.7Very high58 Ų5856.7 Ų56.722%0.21928%0.278CS..EExtended strand (participates in β ladder)trans-120.6100.2174.4-62.3-178.7-173.8-141.7-6.6109Y28 S29 E92 V122 E133Y28-R94 WeakPolarHBondContact CA-O 3.49Å; Y28-R94 HydrophobicContact CD1-CB 3.8Å; Y28-R94 HydrophobicContact CD2-CB 4.33Å; Y28-R94 HydrophobicContact CE1-CB 3.95Å; Y28-R94 HydrophobicContact CE1-CG 4.45Å; Y28-R94 HydrophobicContact CE2-CB 4.45Å; Y28-R94 HydrophobicContact CG-CB 3.98Å; S29-R94 PolarHBondContact N-O 3.23Å; E92-R94 IonicContact OE1-CZ 3.83Å; E92-R94 VanDerWaalsContact OE1-CZ 3.24Å; E92-R94 IonicContact OE1-NE 3.75Å; E92-R94 PolarHBondContact OE1-NE 2.94Å; E92-R94 IonicContact OE1-NH2 3.98Å; E92-R94 PolarHBondContact OE1-NH2 2.78Å; R94-V122 HydrophobicContact CG-CG1 4.22Å; R94-V122 HydrophobicContact CG-CG2 4.37Å; R94-E133 IonicContact CZ-OE1 3.51Å; R94-E133 IonicContact CZ-OE2 3.6Å; R94-E133 IonicContact NH1-OE1 2.67Å; R94-E133 PolarHBondContact NH1-OE1 3.32Å; R94-E133 IonicContact NH1-OE2 3.06Å; R94-E133 PolarHBondContact NH1-OE2 3.32Å; R94-E133 IonicContact NH2-OE2 2.62Å
95L98.7Very high95Very high11 Ų1151.6 Ų51.66%0.05825%0.254CS..EExtended strand (participates in β ladder)trans-117147.7-170-59.1175.9000110.6S29 I31 Q93 C120 E121 F123S29-L95 CarbonylContact O-C 3.57Å; S29-L95 WeakPolarHBondContact O-CA 3.49Å; I31-L95 HydrophobicContact CD1-CD1 4.16Å; I31-L95 HydrophobicContact CG2-CB 4.14Å; Q93-L95 HydrophobicContact CB-CD1 4.38Å; Q93-L95 HydrophobicContact CB-CG 4.26Å; L95-C120 CarbonylContact O-C 3.43Å; L95-C120 WeakPolarHBondContact O-CA 3.31Å; L95-E121 PolarHBondContact N-O 2.78Å; L95-E121 PolarHBondContact O-N 3.07Å; L95-F123 HydrophobicContact CD1-CE2 4.29Å
96W98.7Very high94.5Very high21 Ų2155 Ų558%0.0826%0.262CS..EExtended strand (participates in β ladder)trans-135.2151.8168.771.1-90.9000110.9K20 L23 Y28 S29 E30 I31 I98 G119K20-W96 HydrophobicContact CD-CH2 4.34Å; K20-W96 HydrophobicContact CG-CH2 4Å; K20-W96 HydrophobicContact CG-CZ2 4.36Å; K20-W96 HydrophobicContact CG-CZ3 4.44Å; L23-W96 HydrophobicContact CD1-CB 4.1Å; L23-W96 HydrophobicContact CD1-CD2 3.81Å; L23-W96 HydrophobicContact CD1-CE3 4.14Å; L23-W96 HydrophobicContact CD1-CG 3.78Å; L23-W96 HydrophobicContact CD2-CB 4.21Å; L23-W96 HydrophobicContact CD2-CG 4.43Å; L23-W96 HydrophobicContact CG-CG 4.5Å; Y28-W96 PolarHBondContact O-NE1 2.85Å; S29-W96 VanDerWaalsContact O-CD1 3.26Å; S29-W96 PolarHBondContact O-N 3.2Å; E30-W96 CarbonylContact C-O 3.45Å; E30-W96 WeakPolarHBondContact CA-O 3.41Å; E30-W96 HydrophobicContact CB-CD2 4.29Å; E30-W96 HydrophobicContact CB-CH2 3.96Å; E30-W96 HydrophobicContact CB-CZ2 3.44Å; E30-W96 VanDerWaalsContact CB-CZ2 3.44Å; E30-W96 HydrophobicContact CG-CD2 4.35Å; E30-W96 HydrophobicContact CG-CE3 4.33Å; E30-W96 HydrophobicContact CG-CH2 3.55Å; E30-W96 HydrophobicContact CG-CZ2 3.61Å; E30-W96 HydrophobicContact CG-CZ3 3.95Å; I31-W96 PolarHBondContact N-O 3.46Å; W96-I98 HydrophobicContact CE3-CB 4.48Å; W96-I98 HydrophobicContact CH2-CG2 4.41Å; W96-I98 HydrophobicContact CZ3-CB 3.96Å; W96-I98 HydrophobicContact CZ3-CG2 3.63Å; W96-G119 VanDerWaalsContact CA-O 3.22Å; W96-G119 WeakPolarHBondContact CA-O 3.36Å; W96-G119 WeakPolarHBondContact CB-O 3.38Å
97Y98.8Very high93.9Very high3 Ų356.7 Ų56.71%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-136.8155.9174.552.7-101.2000110.4I31 L33 G74 T75 C78 M101 L118 G119 E121I31-Y97 HydrophobicContact CG2-CD1 4.26Å; I31-Y97 WeakPolarHBondContact O-CB 3.44Å; L33-Y97 HydrophobicContact CD1-CD1 4Å; L33-Y97 HydrophobicContact CD1-CE1 4.49Å; L33-Y97 HydrophobicContact CD1-CG 4.19Å; G74-Y97 VanDerWaalsContact C-CZ 3.48Å; G74-Y97 VanDerWaalsContact CA-CZ 3.5Å; T75-Y97 PolarHBondContact N-OH 3.33Å; T75-Y97 PolarHBondContact OG1-OH 2.98Å; C78-Y97 HydrophobicContact CB-CD1 4.28Å; C78-Y97 HydrophobicContact CB-CE1 4.05Å; Y97-M101 HydrophobicContact CD2-CE 4.18Å; Y97-M101 HydrophobicContact CE2-CE 3.96Å; Y97-L118 WeakPolarHBondContact O-CA 3.5Å; Y97-G119 PolarHBondContact N-O 3.42Å; Y97-G119 PolarHBondContact O-N 2.95Å; Y97-E121 HydrophobicContact CE1-CG 3.71Å; Y97-E121 VanDerWaalsContact CE1-OE1 3.31Å; Y97-E121 WeakPolarHBondContact CE1-OE1 3.43Å; Y97-E121 PolarHBondContact OH-OE1 3.46Å
98I98.3Very high93.3Very high38 Ų3858.6 Ų58.620%0.19527%0.272CS..EExtended strand (participates in β ladder)trans-139.9139.7172.7-167.8175.1000109.4E16 W96 Q117 L118 L299E16-I98 HydrophobicContact CG-CD1 3.8Å; W96-I98 HydrophobicContact CE3-CB 4.48Å; W96-I98 HydrophobicContact CH2-CG2 4.41Å; W96-I98 HydrophobicContact CZ3-CB 3.96Å; W96-I98 HydrophobicContact CZ3-CG2 3.63Å; I98-Q117 WeakPolarHBondContact CA-O 3.49Å; I98-L118 HydrophobicContact CD1-CD1 4.33Å; I98-L118 HydrophobicContact CG1-CB 4.33Å; I98-L299 HydrophobicContact CD1-CD1 3.62Å; I98-L299 HydrophobicContact CG1-CD1 3.82Å
99G97.3Very high92.7Very high10 Ų1066.3 Ų66.310%0.10331%0.306CS..EExtended strand (participates in β ladder)trans159.9-172.6171.600000114.1H116 Q117G99-H116 WeakPolarHBondContact O-CA 3.12Å; G99-Q117 PolarHBondContact N-O 2.8Å; G99-Q117 PolarHBondContact O-N 3.09Å
100P97.2Very high92.6Very high26 Ų2660.5 Ų60.517%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-71.9147.6-177.630.2-35.5000111.9I35 R71 F102 Q114 F115I35-P100 HydrophobicContact CD1-CG 3.85Å; I35-P100 HydrophobicContact CG1-CG 4.32Å; R71-P100 PolarHBondContact NE-O 3.07Å; R71-P100 PolarHBondContact NH2-O 3.43Å; R71-P100 VanDerWaalsContact NH2-O 3.07Å; P100-F102 HydrophobicContact CB-CE2 4.03Å; P100-F102 HydrophobicContact CB-CZ 4.17Å; P100-F102 HydrophobicContact CG-CE2 4.41Å; P100-Q114 HydrophobicContact CB-CG 4.24Å; P100-F115 CarbonylContact C-O 3.56Å; P100-F115 VanDerWaalsContact CA-O 3.28Å; P100-F115 WeakPolarHBondContact CA-O 3.43Å
101M97.4Very high92.5Very high0 Ų057 Ų570%026%0.261CS..EExtended strand (participates in β ladder)trans-134.5155.3173.5-58.3-60.2-18000109R71 E73 Y97 Q114 F115 Q117R71-M101 VanDerWaalsContact CD-SD 3.51Å; R71-M101 HydrophobicContact CG-SD 3.66Å; R71-M101 PolarHBondContact NE-SD 2.83Å; R71-M101 CarbonylContact O-C 3.3Å; R71-M101 WeakPolarHBondContact O-CA 3.47Å; E73-M101 VanDerWaalsContact C-SD 3.54Å; Y97-M101 HydrophobicContact CD2-CE 4.18Å; Y97-M101 HydrophobicContact CE2-CE 3.96Å; M101-Q114 WeakPolarHBondContact O-CA 3.47Å; M101-F115 HydrophobicContact CB-CD1 4.26Å; M101-F115 HydrophobicContact CB-CD2 4.32Å; M101-F115 HydrophobicContact CB-CE1 3.72Å; M101-F115 HydrophobicContact CB-CE2 3.79Å; M101-F115 HydrophobicContact CB-CZ 3.46Å; M101-F115 VanDerWaalsContact CB-CZ 3.46Å; M101-F115 HydrophobicContact CG-CE2 4.24Å; M101-F115 HydrophobicContact CG-CZ 4.26Å; M101-F115 PolarHBondContact N-O 3.03Å; M101-F115 WeakPolarHBondContact O-CD1 3.25Å; M101-F115 PolarHBondContact O-N 3.5Å; M101-Q117 HydrophobicContact CE-CB 3.94Å; M101-Q117 HydrophobicContact CE-CG 4.44Å; M101-Q117 HydrophobicContact CG-CB 3.43Å; M101-Q117 VanDerWaalsContact CG-CB 3.43Å; M101-Q117 HydrophobicContact CG-CG 4.36Å
102F97.2Very high92.5Very high20 Ų2055 Ų559%0.08825%0.25CC..EExtended strand (participates in β ladder)trans-131.8119-169.4-60.9-95.8000112.1I35 Y58 L70 R71 P72 P100 R113 Q114I35-F102 HydrophobicContact CG2-CD2 4.33Å; I35-F102 HydrophobicContact CG2-CE2 3.59Å; I35-F102 HydrophobicContact CG2-CZ 4.26Å; Y58-F102 HydrophobicContact CD2-CB 3.76Å; Y58-F102 HydrophobicContact CE2-CB 4.35Å; L70-F102 HydrophobicContact CB-CB 3.76Å; L70-F102 HydrophobicContact CB-CD1 4.38Å; L70-F102 HydrophobicContact CB-CD2 3.65Å; L70-F102 HydrophobicContact CB-CE2 4.37Å; L70-F102 HydrophobicContact CB-CG 3.67Å; L70-F102 HydrophobicContact CD1-CB 4.33Å; L70-F102 HydrophobicContact CD1-CD1 3.65Å; L70-F102 HydrophobicContact CD1-CD2 4.27Å; L70-F102 HydrophobicContact CD1-CE1 3.94Å; L70-F102 HydrophobicContact CD1-CG 3.82Å; L70-F102 HydrophobicContact CD1-CZ 4.39Å; L70-F102 HydrophobicContact CG-CG 4.39Å; R71-F102 PolarHBondContact O-N 3.42Å; P72-F102 VanDerWaalsContact CA-O 3.24Å; P72-F102 WeakPolarHBondContact CA-O 3.48Å; P72-F102 WeakPolarHBondContact CB-O 3.31Å; P100-F102 HydrophobicContact CB-CE2 4.03Å; P100-F102 HydrophobicContact CB-CZ 4.17Å; P100-F102 HydrophobicContact CG-CE2 4.41Å; F102-R113 CarbonylContact C-O 3.57Å; F102-R113 VanDerWaalsContact CA-O 3.26Å; F102-R113 WeakPolarHBondContact CA-O 3.13Å; F102-Q114 HydrophobicContact CD1-CB 3.94Å; F102-Q114 HydrophobicContact CD1-CG 4.12Å; F102-Q114 HydrophobicContact CE1-CB 3.77Å; F102-Q114 HydrophobicContact CE1-CG 3.57Å; F102-Q114 HydrophobicContact CZ-CG 3.89Å
103R95.1Very high92.4Very high45 Ų4555.1 Ų55.117%0.1725%0.246CC..  trans-138.7130.2176.1-66.9178.1-166.5179.4-2.4110.1E56 P72 E105 R113 F115E56-R103 HydrophobicContact CB-CB 4.07Å; E56-R103 CarbonylContact O-C 3.57Å; E56-R103 WeakPolarHBondContact O-CA 2.97Å; P72-R103 HydrophobicContact CB-CG 4Å; P72-R103 PolarHBondContact O-NE 3.42Å; P72-R103 PolarHBondContact O-NH2 2.83Å; P72-R103 VanDerWaalsContact O-NH2 3.1Å; R103-E105 HydrophobicContact CB-CG 4.01Å; R103-E105 WeakPolarHBondContact CD-OE1 3.22Å; R103-E105 IonicContact NH1-OE1 3.09Å; R103-E105 PolarHBondContact O-N 2.85Å; R103-R113 PolarHBondContact N-O 3.16Å; R103-R113 WeakPolarHBondContact O-CA 3.16Å; R103-F115 HydrophobicContact CB-CE1 4.23Å; R103-F115 HydrophobicContact CG-CE1 3.9Å; R103-F115 HydrophobicContact CG-CZ 4.43Å
104H92.8Very high92.3Very high88 Ų8856.1 Ų56.141%0.40725%0.251SS..  trans-74.540.7176.5-168.7-93.3000112.1E56 Y58 R113E56-H104 PolarHBondContact O-N 3.32Å; Y58-H104 HydrophobicContact CE2-CB 4.07Å; Y58-H104 AromaticContact CZ-CD2 3.87Å; Y58-H104 PolarHBondContact OH-CD2 2.71Å; H104-R113 PolarHBondContact NE2-NH2 2.84Å
105E83.8Confident92.1Very high22 Ų2254.4 Ų54.410%0.10325%0.245CC..PPolyproline II helixtrans-66.8152.5172.6-72.8-174.6-154.700110.8E56 R103 P107 R111E56-E105 HydrophobicContact CG-CG 4.29Å; E56-E105 WeakPolarHBondContact OE1-CG 3.43Å; R103-E105 HydrophobicContact CB-CG 4.01Å; R103-E105 WeakPolarHBondContact CD-OE1 3.22Å; R103-E105 IonicContact NH1-OE1 3.09Å; R103-E105 PolarHBondContact O-N 2.85Å; E105-P107 WeakPolarHBondContact O-CD 2.95Å; E105-R111 VanDerWaalsContact CD-NH1 3.3Å; E105-R111 IonicContact OE1-NH1 3.91Å; E105-R111 PolarHBondContact OE1-NH1 3.06Å; E105-R111 VanDerWaalsContact OE2-CD 3.31Å; E105-R111 WeakPolarHBondContact OE2-CD 3.42Å; E105-R111 IonicContact OE2-CZ 3.01Å; E105-R111 IonicContact OE2-NE 3.72Å; E105-R111 IonicContact OE2-NH1 2.86Å; E105-R111 PolarHBondContact OE2-NH1 3.34Å
106R85.2Confident92.1Very high207 Ų20756 Ų5678%0.78125%0.252SS*.PPolyproline II helixtrans-64.4122.7170.9-175.3175.7179.3-178.30.5108.6Q108R106-Q108 PolarHBondContact O-N 2.83Å
107P83.6Confident92Very high78 Ų7855.4 Ų55.451%0.50625%0.25SC..PPolyproline II helixtrans-58.4130.2-178.7-26.335.3000112.5E105 R111E105-P107 WeakPolarHBondContact O-CD 2.95Å; P107-R111 WeakPolarHBondContact CA-O 3.19Å
108Q83.9Confident92Very high91 Ų9155.2 Ų55.243%0.42525%0.249SC..BIsolated β-bridgetrans-140.6169173.4-60.6176.511.800108.9R106 G110 R111R106-Q108 PolarHBondContact O-N 2.83Å; Q108-G110 PolarHBondContact O-N 2.82Å; Q108-R111 HydrophobicContact CB-CB 4.28Å; Q108-R111 PolarHBondContact N-O 3.46Å; Q108-R111 CarbonylContact O-C 3.6Å; Q108-R111 PolarHBondContact O-N 3.16Å
109K82.5Confident92Very high169 Ų16953.4 Ų53.474%0.73524%0.24SC*.THydrogen-bonded Turntrans-58.5116.3177.1-170.1178.1179.7-177.80109.8R111 L304K109-R111 VanDerWaalsContact C-N 3.3Å; K109-R111 PolarHBondContact O-N 3.33Å; K109-L304 HydrophobicContact CG-CD1 3.91Å
110G83.8Confident92.1Very high8 Ų853 Ų538%0.08224%0.235CC..THydrogen-bonded Turntrans76.44.8-176.700000116Q108Q108-G110 PolarHBondContact O-N 2.82Å
111R85.4Confident92.1Very high74 Ų7451.7 Ų51.728%0.27923%0.227SC..BIsolated β-bridgetrans-123106.7167.3-76.7-177.6178.5-1055.2108.5E105 P107 Q108 K109 R301E105-R111 VanDerWaalsContact CD-NH1 3.3Å; E105-R111 IonicContact OE1-NH1 3.91Å; E105-R111 PolarHBondContact OE1-NH1 3.06Å; E105-R111 VanDerWaalsContact OE2-CD 3.31Å; E105-R111 WeakPolarHBondContact OE2-CD 3.42Å; E105-R111 IonicContact OE2-CZ 3.01Å; E105-R111 IonicContact OE2-NE 3.72Å; E105-R111 IonicContact OE2-NH1 2.86Å; E105-R111 PolarHBondContact OE2-NH1 3.34Å; P107-R111 WeakPolarHBondContact CA-O 3.19Å; Q108-R111 HydrophobicContact CB-CB 4.28Å; Q108-R111 PolarHBondContact N-O 3.46Å; Q108-R111 CarbonylContact O-C 3.6Å; Q108-R111 PolarHBondContact O-N 3.16Å; K109-R111 VanDerWaalsContact C-N 3.3Å; K109-R111 PolarHBondContact O-N 3.33Å; R111-R301 VanDerWaalsContact CG-NH2 3.31Å
112Y90.4Very high92.2Very high52 Ų5251.8 Ų51.820%0.20423%0.227CC..  trans-121.9161.3-178.9-54.5-57.5000110.3N2 Q114 E300N2-Y112 WeakPolarHBondContact ND2-CD1 3.17Å; N2-Y112 VanDerWaalsContact ND2-CD2 3.34Å; N2-Y112 WeakPolarHBondContact ND2-CD2 3.5Å; N2-Y112 WeakPolarHBondContact ND2-CE1 3.34Å; N2-Y112 WeakPolarHBondContact ND2-CE2 3.32Å; N2-Y112 VanDerWaalsContact ND2-CG 3.34Å; Y112-Q114 VanDerWaalsContact C-N 3.31Å; Y112-Q114 VanDerWaalsContact CB-O 3.28Å; Y112-Q114 WeakPolarHBondContact CB-O 3.02Å; Y112-Q114 PolarHBondContact O-N 3.09Å; Y112-E300 HydrophobicContact CD2-CB 4.5Å; Y112-E300 HydrophobicContact CD2-CG 3.85Å; Y112-E300 HydrophobicContact CE2-CB 4.28Å; Y112-E300 HydrophobicContact CE2-CG 3.85Å
113R94.4Very high92.3Very high97 Ų9750.8 Ų50.837%0.36622%0.223SC..SBendtrans-64.7-37.2179.3-76.3166.2166.1-170.6-0.8113.7Y58 F102 R103 H104Y58-R113 HydrophobicContact CE2-CB 4.35Å; Y58-R113 WeakPolarHBondContact OH-CB 3.25Å; Y58-R113 WeakPolarHBondContact OH-CD 3.25Å; Y58-R113 VanDerWaalsContact OH-CG 3.29Å; Y58-R113 WeakPolarHBondContact OH-CG 3.31Å; F102-R113 CarbonylContact C-O 3.57Å; F102-R113 VanDerWaalsContact CA-O 3.26Å; F102-R113 WeakPolarHBondContact CA-O 3.13Å; R103-R113 PolarHBondContact N-O 3.16Å; R103-R113 WeakPolarHBondContact O-CA 3.16Å; H104-R113 PolarHBondContact NE2-NH2 2.84Å
114Q95.3Very high92.4Very high60 Ų6050.2 Ų50.228%0.2823%0.231SC..EExtended strand (participates in β ladder)trans-112.6125.7164.3176.8-178-26.800106.6M1 P100 M101 F102 Y112M1-Q114 HydrophobicContact SD-CB 3.86Å; M1-Q114 PolarHBondContact SD-OE1 2.84Å; P100-Q114 HydrophobicContact CB-CG 4.24Å; M101-Q114 WeakPolarHBondContact O-CA 3.47Å; F102-Q114 HydrophobicContact CD1-CB 3.94Å; F102-Q114 HydrophobicContact CD1-CG 4.12Å; F102-Q114 HydrophobicContact CE1-CB 3.77Å; F102-Q114 HydrophobicContact CE1-CG 3.57Å; F102-Q114 HydrophobicContact CZ-CG 3.89Å; Y112-Q114 VanDerWaalsContact C-N 3.31Å; Y112-Q114 VanDerWaalsContact CB-O 3.28Å; Y112-Q114 WeakPolarHBondContact CB-O 3.02Å; Y112-Q114 PolarHBondContact O-N 3.09Å
115F95.3Very high92.6Very high23 Ų2348.1 Ų48.110%0.10122%0.223CC..EExtended strand (participates in β ladder)trans-139.9165.5179.267.1-82.9000109.5P100 M101 R103 Q117 E300P100-F115 CarbonylContact C-O 3.56Å; P100-F115 VanDerWaalsContact CA-O 3.28Å; P100-F115 WeakPolarHBondContact CA-O 3.43Å; M101-F115 HydrophobicContact CB-CD1 4.26Å; M101-F115 HydrophobicContact CB-CD2 4.32Å; M101-F115 HydrophobicContact CB-CE1 3.72Å; M101-F115 HydrophobicContact CB-CE2 3.79Å; M101-F115 HydrophobicContact CB-CZ 3.46Å; M101-F115 VanDerWaalsContact CB-CZ 3.46Å; M101-F115 HydrophobicContact CG-CE2 4.24Å; M101-F115 HydrophobicContact CG-CZ 4.26Å; M101-F115 PolarHBondContact N-O 3.03Å; M101-F115 WeakPolarHBondContact O-CD1 3.25Å; M101-F115 PolarHBondContact O-N 3.5Å; R103-F115 HydrophobicContact CB-CE1 4.23Å; R103-F115 HydrophobicContact CG-CE1 3.9Å; R103-F115 HydrophobicContact CG-CZ 4.43Å; F115-Q117 HydrophobicContact CE2-CB 4.21Å; F115-E300 WeakPolarHBondContact CA-OE1 3.39Å; F115-E300 WeakPolarHBondContact CB-OE2 3.14Å
116H96.9Very high93.1Very high44 Ų4453.3 Ų53.320%0.20425%0.247CC..EExtended strand (participates in β ladder)trans-103.6132.9179.8-61.776.8000110.1Y4 W12 G99 G298 L299 E300Y4-H116 AromaticContact CE2-CE1 3.73Å; Y4-H116 AromaticContact CE2-ND1 3.95Å; W12-H116 HydrophobicContact CH2-CB 4.05Å; W12-H116 AromaticContact CH2-ND1 3.87Å; W12-H116 HydrophobicContact CZ3-CB 3.78Å; W12-H116 AromaticContact CZ3-CG 3.9Å; G99-H116 WeakPolarHBondContact O-CA 3.12Å; H116-G298 CarbonylContact O-C 3.47Å; H116-G298 WeakPolarHBondContact O-CA 3.42Å; H116-L299 HydrophobicContact CB-CB 4.11Å; H116-L299 HydrophobicContact CB-CD1 3.97Å; H116-L299 HydrophobicContact CB-CG 4.3Å; H116-L299 PolarHBondContact O-N 3.37Å; H116-E300 IonicContact CE1-OE1 2.6Å; H116-E300 IonicContact CG-OE1 3.93Å; H116-E300 VanDerWaalsContact N-CD 3.27Å; H116-E300 PolarHBondContact N-OE1 3.27Å; H116-E300 PolarHBondContact N-OE2 2.91Å; H116-E300 IonicContact ND1-OE1 3.62Å; H116-E300 PolarHBondContact ND1-OE1 3.29Å
117Q97.5Very high93.7Very high8 Ų844.6 Ų44.64%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-119.6138.4179-167.9-178.6114.800109.5I98 G99 M101 F115 A296 M297I98-Q117 WeakPolarHBondContact CA-O 3.49Å; G99-Q117 PolarHBondContact N-O 2.8Å; G99-Q117 PolarHBondContact O-N 3.09Å; M101-Q117 HydrophobicContact CE-CB 3.94Å; M101-Q117 HydrophobicContact CE-CG 4.44Å; M101-Q117 HydrophobicContact CG-CB 3.43Å; M101-Q117 VanDerWaalsContact CG-CB 3.43Å; M101-Q117 HydrophobicContact CG-CG 4.36Å; F115-Q117 HydrophobicContact CE2-CB 4.21Å; Q117-A296 HydrophobicContact CG-CB 3.9Å; Q117-A296 VanDerWaalsContact OE1-CB 3.29Å; Q117-M297 VanDerWaalsContact CA-O 3.31Å; Q117-M297 WeakPolarHBondContact CA-O 3.39Å
118L98.7Very high94.3Very high0 Ų042.3 Ų42.30%021%0.207CC..EExtended strand (participates in β ladder)trans-109.1132.6160.5-177.1154.2000107.7L19 L23 Y97 I98 W141 F295 A296 M297 L299L19-L118 HydrophobicContact CB-CD1 4.06Å; L19-L118 HydrophobicContact CD1-CD1 3.94Å; L23-L118 HydrophobicContact CD1-CD1 4.17Å; L23-L118 HydrophobicContact CD1-CD2 4.44Å; Y97-L118 WeakPolarHBondContact O-CA 3.5Å; I98-L118 HydrophobicContact CD1-CD1 4.33Å; I98-L118 HydrophobicContact CG1-CB 4.33Å; L118-W141 HydrophobicContact CD2-CH2 3.36Å; L118-W141 HydrophobicContact CD2-CZ2 4.01Å; L118-W141 HydrophobicContact CD2-CZ3 4.19Å; L118-F295 HydrophobicContact CD2-CE2 4.38Å; L118-A296 CarbonylContact O-C 3.55Å; L118-A296 WeakPolarHBondContact O-CA 3.22Å; L118-M297 HydrophobicContact CB-CG 4.23Å; L118-M297 PolarHBondContact N-O 3.21Å; L118-M297 PolarHBondContact O-N 3.41Å; L118-L299 HydrophobicContact CB-CD2 3.97Å; L118-L299 HydrophobicContact CB-CG 4.46Å
119G98.5Very high95Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-134.1156.4175.600000112.4W96 Y97 F295W96-G119 VanDerWaalsContact CA-O 3.22Å; W96-G119 WeakPolarHBondContact CA-O 3.36Å; W96-G119 WeakPolarHBondContact CB-O 3.38Å; Y97-G119 PolarHBondContact N-O 3.42Å; Y97-G119 PolarHBondContact O-N 2.95Å; G119-F295 CarbonylContact C-O 3.55Å; G119-F295 WeakPolarHBondContact CA-O 3.37Å
120C98.7Very high95.8Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-135.3130.8178.2-61.30000108.9L23 Y28 L95 L134 G294 F295L23-C120 WeakPolarHBondContact CD2-SG 3.3Å; Y28-C120 HydrophobicContact CD1-CB 4.33Å; Y28-C120 HydrophobicContact CE1-CB 4.28Å; L95-C120 CarbonylContact O-C 3.43Å; L95-C120 WeakPolarHBondContact O-CA 3.31Å; C120-L134 HydrophobicContact CB-CD2 4.33Å; C120-G294 CarbonylContact O-C 3.58Å; C120-G294 WeakPolarHBondContact O-CA 3.05Å; C120-F295 HydrophobicContact CB-CD1 4.29Å; C120-F295 HydrophobicContact CB-CE1 3.75Å; C120-F295 HydrophobicContact CB-CE2 4.12Å; C120-F295 HydrophobicContact CB-CZ 3.63Å; C120-F295 PolarHBondContact N-O 3.49Å; C120-F295 PolarHBondContact O-N 3Å; C120-F295 WeakPolarHBondContact SG-CZ 3.04Å
121E98.7Very high96.5Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-130.3132.6-174.7-44.5-61.7-177.900108.7T75 C78 L95 Y97 F123 Y278 G294T75-E121 WeakPolarHBondContact CA-OE1 3.12Å; T75-E121 WeakPolarHBondContact CB-OE1 3.24Å; T75-E121 PolarHBondContact OG1-OE1 3.34Å; C78-E121 HydrophobicContact CB-CG 4.14Å; L95-E121 PolarHBondContact N-O 2.78Å; L95-E121 PolarHBondContact O-N 3.07Å; Y97-E121 HydrophobicContact CE1-CG 3.71Å; Y97-E121 VanDerWaalsContact CE1-OE1 3.31Å; Y97-E121 WeakPolarHBondContact CE1-OE1 3.43Å; Y97-E121 PolarHBondContact OH-OE1 3.46Å; E121-F123 HydrophobicContact CB-CD2 4.44Å; E121-F123 HydrophobicContact CB-CE2 3.53Å; E121-F123 HydrophobicContact CB-CZ 3.78Å; E121-Y278 WeakPolarHBondContact CB-OH 3.22Å; E121-Y278 PolarHBondContact OE2-OH 2.92Å; E121-G294 WeakPolarHBondContact OE2-CA 3.12Å
122V98.7Very high97.1Very high1 Ų131.1 Ų31.11%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-118.7135173.9-173.10000109.2Y28 Q93 R94 L125 I130 L134 A292 V293Y28-V122 HydrophobicContact CE1-CG2 3.54Å; Y28-V122 VanDerWaalsContact OH-CG2 3.22Å; Y28-V122 WeakPolarHBondContact OH-CG2 3.41Å; Q93-V122 CarbonylContact O-C 3.51Å; Q93-V122 VanDerWaalsContact O-CA 3.26Å; Q93-V122 WeakPolarHBondContact O-CA 3.4Å; R94-V122 HydrophobicContact CG-CG1 4.22Å; R94-V122 HydrophobicContact CG-CG2 4.37Å; V122-L125 HydrophobicContact CG1-CD1 4.05Å; V122-L125 HydrophobicContact CG1-CG 4.47Å; V122-I130 HydrophobicContact CB-CD1 4.38Å; V122-I130 HydrophobicContact CB-CG1 4.02Å; V122-I130 HydrophobicContact CG1-CD1 3.92Å; V122-I130 HydrophobicContact CG1-CG1 3.7Å; V122-I130 HydrophobicContact CG2-CD1 4.03Å; V122-I130 HydrophobicContact CG2-CG1 4.09Å; V122-L134 HydrophobicContact CG2-CD1 4.38Å; V122-L134 HydrophobicContact CG2-CD2 4.15Å; V122-L134 HydrophobicContact CG2-CG 4.47Å; V122-A292 WeakPolarHBondContact O-CA 3.44Å; V122-V293 HydrophobicContact CB-CG1 4.02Å; V122-V293 PolarHBondContact N-O 2.67Å; V122-V293 PolarHBondContact O-N 3.42Å
123F98.5Very high97.5Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-125.7145.1-179.6-57.6-84.4000110.5V79 L88 E92 Q93 L95 E121 Y278 V282 T290 P291 A292V79-F123 HydrophobicContact CG2-CE1 3.84Å; V79-F123 HydrophobicContact CG2-CZ 3.95Å; L88-F123 HydrophobicContact CD1-CD1 4.3Å; L88-F123 HydrophobicContact CD1-CE1 4.45Å; L88-F123 HydrophobicContact CD2-CB 3.81Å; L88-F123 HydrophobicContact CD2-CD1 3.93Å; L88-F123 HydrophobicContact CD2-CD2 3.65Å; L88-F123 HydrophobicContact CD2-CE1 4.43Å; L88-F123 HydrophobicContact CD2-CE2 4.17Å; L88-F123 HydrophobicContact CD2-CG 3.51Å; E92-F123 WeakPolarHBondContact CA-O 3.43Å; Q93-F123 HydrophobicContact CB-CB 4.3Å; Q93-F123 HydrophobicContact CB-CD2 4.15Å; Q93-F123 PolarHBondContact N-O 3.12Å; Q93-F123 VanDerWaalsContact N-O 3.07Å; Q93-F123 PolarHBondContact O-N 3.48Å; L95-F123 HydrophobicContact CD1-CE2 4.29Å; E121-F123 HydrophobicContact CB-CD2 4.44Å; E121-F123 HydrophobicContact CB-CE2 3.53Å; E121-F123 HydrophobicContact CB-CZ 3.78Å; F123-Y278 HydrophobicContact CE1-CE2 4.08Å; F123-V282 HydrophobicContact CD1-CG2 4.04Å; F123-V282 HydrophobicContact CE1-CG2 4.04Å; F123-T290 HydrophobicContact CB-CG2 4.09Å; F123-P291 CarbonylContact C-O 3.41Å; F123-P291 WeakPolarHBondContact CA-O 3.25Å; F123-A292 HydrophobicContact CD1-CB 3.63Å; F123-A292 HydrophobicContact CE1-CB 3.85Å
124G97.4Very high97.7Very high33 Ų3325.9 Ų25.934%0.3414%0.143SC..SBendtrans91.50.3173.900000115.4P291G124-P291 PolarHBondContact N-O 3.35Å
125L97.4Very high97.9Very high44 Ų4423 Ų2323%0.2313%0.13CC..  trans-118.3127.2-179.7-64179.9000112.9E92 V122 I130 R277E92-L125 HydrophobicContact CG-CD1 4.03Å; E92-L125 HydrophobicContact CG-CD2 4.38Å; E92-L125 HydrophobicContact CG-CG 4.02Å; V122-L125 HydrophobicContact CG1-CD1 4.05Å; V122-L125 HydrophobicContact CG1-CG 4.47Å; L125-I130 HydrophobicContact CB-CB 4.18Å; L125-I130 HydrophobicContact CB-CG1 4.36Å; L125-I130 HydrophobicContact CB-CG2 3.82Å; L125-I130 HydrophobicContact CD1-CB 4.09Å; L125-I130 HydrophobicContact CD1-CD1 3.86Å; L125-I130 HydrophobicContact CD1-CG1 3.89Å; L125-R277 PolarHBondContact O-NH1 3.28Å; L125-R277 VanDerWaalsContact O-NH1 3.09Å; L125-R277 PolarHBondContact O-NH2 3.49Å
126Q94.9Very high98Very high130 Ų13024.4 Ų24.461%0.60714%0.137SC*.  trans-99.7-24.6-174.8-65.3-160.4-4.800115.4H226 R277 P291Q126-H226 PolarHBondContact O-NE2 2.99Å; Q126-R277 VanDerWaalsContact C-NH2 3.28Å; Q126-R277 PolarHBondContact O-NH2 3.37Å; Q126-R277 VanDerWaalsContact O-NH2 3.16Å; Q126-P291 HydrophobicContact CG-CB 3.62Å; Q126-P291 HydrophobicContact CG-CG 3.54Å
127G96.4Very high98.1Very high24 Ų2422.3 Ų22.325%0.24713%0.128CC..SBendtrans-70.4157.7-169.600000113.8D129 I130 R277G127-D129 WeakPolarHBondContact CA-OD1 3.22Å; G127-D129 PolarHBondContact O-N 2.99Å; G127-I130 VanDerWaalsContact O-CG2 3.27Å; G127-I130 WeakPolarHBondContact O-CG2 3.25Å; G127-I130 PolarHBondContact O-N 2.84Å; G127-R277 PolarHBondContact O-NH2 3.37Å
128P97.9Very high98.1Very high31 Ų3121.9 Ų21.920%0.20113%0.126CC..Hα-helixtrans-68.2-10.4173.528.9-34.9000113.4D131 A132 H226 L230P128-D131 PolarHBondContact O-N 3.01Å; P128-A132 WeakPolarHBondContact O-CB 3.41Å; P128-A132 PolarHBondContact O-N 3.02Å; P128-H226 WeakPolarHBondContact CA-NE2 3.47Å; P128-H226 VanDerWaalsContact CB-O 3.29Å; P128-H226 WeakPolarHBondContact CB-O 3.47Å; P128-L230 HydrophobicContact CB-CB 3.93Å
129D98.1Very high98.1Very high99 Ų9922.1 Ų22.153%0.52913%0.128SC..Hα-helixtrans-63.2-40.9175.357.1-17.2000113.2G127 A132 E133 L233G127-D129 WeakPolarHBondContact CA-OD1 3.22Å; G127-D129 PolarHBondContact O-N 2.99Å; D129-A132 WeakPolarHBondContact O-CB 3.49Å; D129-A132 PolarHBondContact O-N 3.37Å; D129-E133 PolarHBondContact O-N 2.93Å; D129-L233 HydrophobicContact CB-CD1 4.08Å
130I98.4Very high98.1Very high4 Ų427 Ų272%0.02115%0.146CC..Hα-helixtrans-72.5-33.3177.2-171.263.3000112.4V122 L125 G127 A132 E133 L134 V293V122-I130 HydrophobicContact CB-CD1 4.38Å; V122-I130 HydrophobicContact CB-CG1 4.02Å; V122-I130 HydrophobicContact CG1-CD1 3.92Å; V122-I130 HydrophobicContact CG1-CG1 3.7Å; V122-I130 HydrophobicContact CG2-CD1 4.03Å; V122-I130 HydrophobicContact CG2-CG1 4.09Å; L125-I130 HydrophobicContact CB-CB 4.18Å; L125-I130 HydrophobicContact CB-CG1 4.36Å; L125-I130 HydrophobicContact CB-CG2 3.82Å; L125-I130 HydrophobicContact CD1-CB 4.09Å; L125-I130 HydrophobicContact CD1-CD1 3.86Å; L125-I130 HydrophobicContact CD1-CG1 3.89Å; G127-I130 VanDerWaalsContact O-CG2 3.27Å; G127-I130 WeakPolarHBondContact O-CG2 3.25Å; G127-I130 PolarHBondContact O-N 2.84Å; I130-A132 VanDerWaalsContact C-N 3.31Å; I130-A132 PolarHBondContact O-N 2.95Å; I130-E133 HydrophobicContact CD1-CB 4.24Å; I130-E133 PolarHBondContact O-N 3.37Å; I130-L134 PolarHBondContact O-N 3.29Å; I130-L134 VanDerWaalsContact O-N 3.11Å; I130-V293 HydrophobicContact CB-CG1 4.48Å; I130-V293 HydrophobicContact CG1-CG1 3.93Å; I130-V293 HydrophobicContact CG2-CG1 3.86Å
131D98.6Very high98.1Very high2 Ų227 Ų271%0.01115%0.146CC..Hα-helixtrans-61.1-45.2171.3-57.144.6000109.9P128 E133 L134 I135 H226 L230 T257 R277P128-D131 PolarHBondContact O-N 3.01Å; D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 PolarHBondContact O-N 3.01Å; D131-L134 PolarHBondContact O-N 3.28Å; D131-I135 WeakPolarHBondContact O-CG1 3.32Å; D131-I135 PolarHBondContact O-N 2.88Å; D131-I135 VanDerWaalsContact O-N 3.15Å; D131-H226 IonicContact OD1-CE1 2.67Å; D131-H226 IonicContact OD1-NE2 3.27Å; D131-H226 IonicContact OD2-CE1 3.23Å; D131-H226 PolarHBondContact OD2-CE1 2.65Å; D131-H226 VanDerWaalsContact OD2-CE1 3.29Å; D131-L230 HydrophobicContact CB-CD1 3.92Å; D131-L230 HydrophobicContact CB-CD2 4.12Å; D131-T257 HydrophobicContact CB-CG2 4.42Å; D131-T257 WeakPolarHBondContact OD2-CB 3.19Å; D131-T257 PolarHBondContact OD2-OG1 3.01Å; D131-R277 VanDerWaalsContact CG-NE 3.3Å; D131-R277 IonicContact OD1-CZ 3.43Å; D131-R277 IonicContact OD1-NE 2.64Å; D131-R277 PolarHBondContact OD1-NE 2.86Å; D131-R277 IonicContact OD1-NH2 2.86Å; D131-R277 PolarHBondContact OD1-NH2 3.39Å; D131-R277 WeakPolarHBondContact OD2-CD 3.36Å; D131-R277 IonicContact OD2-NE 2.68Å; D131-R277 PolarHBondContact OD2-NE 3.08Å
132A98.7Very high98.1Very high1 Ų127 Ų271%0.00815%0.146CC..Hα-helixtrans-62.7-41.1176.900000111.2P128 D129 I130 L134 I135 M136 L230 L233 L234P128-A132 WeakPolarHBondContact O-CB 3.41Å; P128-A132 PolarHBondContact O-N 3.02Å; D129-A132 WeakPolarHBondContact O-CB 3.49Å; D129-A132 PolarHBondContact O-N 3.37Å; I130-A132 VanDerWaalsContact C-N 3.31Å; I130-A132 PolarHBondContact O-N 2.95Å; A132-L134 PolarHBondContact O-N 3.41Å; A132-I135 PolarHBondContact O-N 3.18Å; A132-M136 HydrophobicContact CB-CE 3.99Å; A132-M136 WeakPolarHBondContact O-CB 3.28Å; A132-M136 VanDerWaalsContact O-CG 3.23Å; A132-M136 WeakPolarHBondContact O-CG 3.28Å; A132-M136 PolarHBondContact O-N 3.41Å; A132-L230 HydrophobicContact CB-CD1 3.7Å; A132-L233 HydrophobicContact CB-CB 3.84Å; A132-L233 HydrophobicContact CB-CD1 4.01Å; A132-L234 HydrophobicContact CB-CD2 4.32Å
133E98.5Very high98Very high39 Ų3933.7 Ų33.718%0.18217%0.171CC..Hα-helixtrans-59.6-46.6176.9-170.7-169.198.100112Y26 Y28 R94 D129 I130 D131 I135 M136 L137Y26-E133 HydrophobicContact CD1-CG 3.73Å; Y26-E133 HydrophobicContact CE1-CG 3.82Å; Y28-E133 WeakPolarHBondContact CE2-OE1 3.38Å; Y28-E133 PolarHBondContact OH-OE1 3.32Å; R94-E133 IonicContact CZ-OE1 3.51Å; R94-E133 IonicContact CZ-OE2 3.6Å; R94-E133 IonicContact NH1-OE1 2.67Å; R94-E133 PolarHBondContact NH1-OE1 3.32Å; R94-E133 IonicContact NH1-OE2 3.06Å; R94-E133 PolarHBondContact NH1-OE2 3.32Å; R94-E133 IonicContact NH2-OE2 2.62Å; D129-E133 PolarHBondContact O-N 2.93Å; I130-E133 HydrophobicContact CD1-CB 4.24Å; I130-E133 PolarHBondContact O-N 3.37Å; D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 PolarHBondContact O-N 3.01Å; E133-I135 VanDerWaalsContact C-N 3.28Å; E133-I135 PolarHBondContact O-N 3.17Å; E133-M136 CarbonylContact O-C 3.6Å; E133-M136 PolarHBondContact O-N 2.86Å; E133-M136 VanDerWaalsContact O-N 3.14Å; E133-L137 VanDerWaalsContact O-CB 3.3Å; E133-L137 WeakPolarHBondContact O-CB 3.29Å; E133-L137 PolarHBondContact O-N 2.79Å
134L98.7Very high97.8Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-61.4-38.2177.9-73.2173.7000111.9Y28 C120 V122 I130 D131 A132 T138 V293 F295Y28-L134 HydrophobicContact CE1-CD2 3.98Å; Y28-L134 VanDerWaalsContact OH-CD2 3.25Å; Y28-L134 WeakPolarHBondContact OH-CD2 3.49Å; C120-L134 HydrophobicContact CB-CD2 4.33Å; V122-L134 HydrophobicContact CG2-CD1 4.38Å; V122-L134 HydrophobicContact CG2-CD2 4.15Å; V122-L134 HydrophobicContact CG2-CG 4.47Å; I130-L134 PolarHBondContact O-N 3.29Å; I130-L134 VanDerWaalsContact O-N 3.11Å; D131-L134 PolarHBondContact O-N 3.28Å; A132-L134 PolarHBondContact O-N 3.41Å; L134-T138 WeakPolarHBondContact O-CG2 3.26Å; L134-T138 PolarHBondContact O-N 3.43Å; L134-T138 VanDerWaalsContact O-N 3.08Å; L134-T138 PolarHBondContact O-OG1 3.03Å; L134-T138 VanDerWaalsContact O-OG1 3.07Å; L134-V293 HydrophobicContact CD1-CB 4.16Å; L134-V293 HydrophobicContact CD1-CG1 3.69Å; L134-V293 HydrophobicContact CD1-CG2 3.72Å; L134-F295 HydrophobicContact CB-CD1 4.08Å; L134-F295 HydrophobicContact CB-CE1 4.23Å; L134-F295 HydrophobicContact CD2-CD1 3.91Å; L134-F295 HydrophobicContact CD2-CE1 3.66Å; L134-F295 HydrophobicContact CG-CD1 4.43Å
135I98.7Very high97.7Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-69.1-40.4174.2-67.9171.7000111.2D131 A132 E133 L137 T138 A139 L153 L155 L230 L234 I239 F259 W261D131-I135 WeakPolarHBondContact O-CG1 3.32Å; D131-I135 PolarHBondContact O-N 2.88Å; D131-I135 VanDerWaalsContact O-N 3.15Å; A132-I135 PolarHBondContact O-N 3.18Å; E133-I135 VanDerWaalsContact C-N 3.28Å; E133-I135 PolarHBondContact O-N 3.17Å; I135-L137 VanDerWaalsContact C-N 3.34Å; I135-L137 PolarHBondContact O-N 3.01Å; I135-T138 WeakPolarHBondContact CA-OG1 3.38Å; I135-T138 PolarHBondContact O-N 2.93Å; I135-T138 PolarHBondContact O-OG1 3.04Å; I135-A139 VanDerWaalsContact O-CB 3.3Å; I135-A139 WeakPolarHBondContact O-CB 3.21Å; I135-A139 PolarHBondContact O-N 2.85Å; I135-L153 HydrophobicContact CD1-CD2 4.44Å; I135-L153 HydrophobicContact CG2-CD2 3.46Å; I135-L153 VanDerWaalsContact CG2-CD2 3.46Å; I135-L155 HydrophobicContact CD1-CD1 4.1Å; I135-L230 HydrophobicContact CD1-CD1 4.3Å; I135-L234 HydrophobicContact CB-CD2 3.95Å; I135-L234 HydrophobicContact CD1-CD1 4.03Å; I135-L234 HydrophobicContact CD1-CD2 4.35Å; I135-L234 HydrophobicContact CG2-CD1 4.42Å; I135-L234 HydrophobicContact CG2-CD2 3.55Å; I135-I239 HydrophobicContact CG2-CD1 4.26Å; I135-I239 HydrophobicContact CG2-CG2 4.28Å; I135-F259 HydrophobicContact CD1-CB 4.43Å; I135-F259 HydrophobicContact CD1-CD1 4.27Å; I135-F259 HydrophobicContact CD1-CG 4.25Å; I135-F259 HydrophobicContact CG1-CD1 4.18Å; I135-F259 HydrophobicContact CG1-CD2 4.28Å; I135-F259 HydrophobicContact CG1-CE1 4.22Å; I135-F259 HydrophobicContact CG1-CE2 4.32Å; I135-F259 HydrophobicContact CG1-CG 4.2Å; I135-F259 HydrophobicContact CG1-CZ 4.27Å; I135-W261 HydrophobicContact CG2-CZ2 4.06Å
136M98.6Very high97.7Very high52 Ų5234.3 Ų34.326%0.25618%0.183SC..Hα-helixtrans-65.8-37175.8-71.3-178.9-154.700112.4A132 E133 A139 R140 A237 I239A132-M136 HydrophobicContact CB-CE 3.99Å; A132-M136 WeakPolarHBondContact O-CB 3.28Å; A132-M136 VanDerWaalsContact O-CG 3.23Å; A132-M136 WeakPolarHBondContact O-CG 3.28Å; A132-M136 PolarHBondContact O-N 3.41Å; E133-M136 CarbonylContact O-C 3.6Å; E133-M136 PolarHBondContact O-N 2.86Å; E133-M136 VanDerWaalsContact O-N 3.14Å; M136-A139 PolarHBondContact O-N 2.86Å; M136-R140 WeakPolarHBondContact O-CB 3.37Å; M136-R140 PolarHBondContact O-N 3.32Å; M136-A237 HydrophobicContact CE-CB 3.47Å; M136-A237 VanDerWaalsContact CE-CB 3.47Å; M136-A237 HydrophobicContact CG-CB 4.3Å; M136-A237 HydrophobicContact SD-CB 3.98Å; M136-I239 HydrophobicContact CB-CD1 4.25Å; M136-I239 HydrophobicContact CG-CD1 3.61Å
137L98.6Very high97.7Very high0 Ų028.1 Ų28.10%015%0.154CC..Hα-helixtrans-62.3-51.5175.5-176163.4000110.1V22 L23 Y26 Y28 E133 I135 A139 R140 W141 F295V22-L137 HydrophobicContact CG1-CD2 4.4Å; V22-L137 HydrophobicContact CG1-CG 4.26Å; L23-L137 HydrophobicContact CD2-CD1 4.11Å; L23-L137 HydrophobicContact CD2-CD2 4.29Å; Y26-L137 HydrophobicContact CD1-CD1 4.47Å; Y26-L137 HydrophobicContact CD2-CB 4.35Å; Y26-L137 HydrophobicContact CD2-CD1 4.07Å; Y26-L137 HydrophobicContact CD2-CG 3.97Å; Y26-L137 HydrophobicContact CE1-CB 4.36Å; Y26-L137 HydrophobicContact CE2-CB 4.16Å; Y26-L137 HydrophobicContact CE2-CG 4.15Å; Y26-L137 HydrophobicContact CG-CD1 3.97Å; Y26-L137 HydrophobicContact CG-CG 4.31Å; Y28-L137 HydrophobicContact CD2-CD1 4.07Å; Y28-L137 HydrophobicContact CE2-CD1 3.8Å; E133-L137 VanDerWaalsContact O-CB 3.3Å; E133-L137 WeakPolarHBondContact O-CB 3.29Å; E133-L137 PolarHBondContact O-N 2.79Å; I135-L137 VanDerWaalsContact C-N 3.34Å; I135-L137 PolarHBondContact O-N 3.01Å; L137-A139 PolarHBondContact O-N 2.94Å; L137-R140 WeakPolarHBondContact O-CB 3.42Å; L137-R140 PolarHBondContact O-N 3.45Å; L137-R140 VanDerWaalsContact O-N 3.09Å; L137-W141 HydrophobicContact CD2-CD2 3.9Å; L137-W141 HydrophobicContact CD2-CE3 4.16Å; L137-W141 HydrophobicContact CD2-CH2 3.74Å; L137-W141 HydrophobicContact CD2-CZ2 3.5Å; L137-W141 VanDerWaalsContact CD2-CZ2 3.5Å; L137-W141 HydrophobicContact CD2-CZ3 4.08Å; L137-W141 PolarHBondContact O-N 2.91Å; L137-W141 VanDerWaalsContact O-N 3.07Å; L137-F295 HydrophobicContact CD2-CE1 4.36Å; L137-F295 HydrophobicContact CD2-CZ 3.99Å
138T98.5Very high97.7Very high0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-63.3-41.1176.550.60000111.7L134 I135 R140 W141 W142 W261 F295L134-T138 WeakPolarHBondContact O-CG2 3.26Å; L134-T138 PolarHBondContact O-N 3.43Å; L134-T138 VanDerWaalsContact O-N 3.08Å; L134-T138 PolarHBondContact O-OG1 3.03Å; L134-T138 VanDerWaalsContact O-OG1 3.07Å; I135-T138 WeakPolarHBondContact CA-OG1 3.38Å; I135-T138 PolarHBondContact O-N 2.93Å; I135-T138 PolarHBondContact O-OG1 3.04Å; T138-R140 VanDerWaalsContact C-N 3.26Å; T138-R140 PolarHBondContact O-N 2.76Å; T138-W141 HydrophobicContact CG2-CE3 3.89Å; T138-W141 HydrophobicContact CG2-CZ3 3.83Å; T138-W141 WeakPolarHBondContact O-CB 3.24Å; T138-W141 PolarHBondContact O-N 3.44Å; T138-W141 VanDerWaalsContact O-N 3.07Å; T138-W142 VanDerWaalsContact O-CD1 3.28Å; T138-W142 VanDerWaalsContact O-CD2 3.26Å; T138-W142 VanDerWaalsContact O-CG 3.23Å; T138-W142 PolarHBondContact O-N 2.85Å; T138-W142 VanDerWaalsContact O-N 3.1Å; T138-W142 PolarHBondContact O-NE1 3.24Å; T138-W261 PolarHBondContact OG1-NE1 3.16Å; T138-F295 HydrophobicContact CG2-CD1 4.02Å; T138-F295 HydrophobicContact CG2-CD2 4.19Å; T138-F295 HydrophobicContact CG2-CE1 3.63Å; T138-F295 HydrophobicContact CG2-CE2 3.88Å; T138-F295 HydrophobicContact CG2-CG 4.28Å; T138-F295 HydrophobicContact CG2-CZ 3.57Å
139A98.4Very high97.5Very high5 Ų534.9 Ų34.94%0.04118%0.182CC..Hα-helixtrans-59.1-35.1172.400000112.9I135 M136 L137 W142 R143 I239 W261I135-A139 VanDerWaalsContact O-CB 3.3Å; I135-A139 WeakPolarHBondContact O-CB 3.21Å; I135-A139 PolarHBondContact O-N 2.85Å; M136-A139 PolarHBondContact O-N 2.86Å; L137-A139 PolarHBondContact O-N 2.94Å; A139-W142 PolarHBondContact O-N 2.92Å; A139-R143 PolarHBondContact O-N 2.76Å; A139-I239 HydrophobicContact CB-CD1 3.91Å; A139-I239 HydrophobicContact CB-CG1 4.48Å; A139-W261 HydrophobicContact CB-CH2 4.11Å; A139-W261 HydrophobicContact CB-CZ2 4.01Å
140R98.1Very high97.4Very high101 Ų10133.4 Ų33.438%0.38117%0.172SC..Hα-helixtrans-67.4-38.7174.2-173.8176.9-64.4-161.4-7.9111.7V22 Y26 M136 L137 T138 W142 R143 A144V22-R140 HydrophobicContact CG1-CB 4.34Å; V22-R140 HydrophobicContact CG1-CG 4.23Å; V22-R140 HydrophobicContact CG2-CG 4.26Å; Y26-R140 PolarHBondContact OH-NE 2.81Å; M136-R140 WeakPolarHBondContact O-CB 3.37Å; M136-R140 PolarHBondContact O-N 3.32Å; L137-R140 WeakPolarHBondContact O-CB 3.42Å; L137-R140 PolarHBondContact O-N 3.45Å; L137-R140 VanDerWaalsContact O-N 3.09Å; T138-R140 VanDerWaalsContact C-N 3.26Å; T138-R140 PolarHBondContact O-N 2.76Å; R140-W142 VanDerWaalsContact C-N 3.33Å; R140-W142 PolarHBondContact O-N 3.01Å; R140-R143 PolarHBondContact O-N 3.04Å; R140-A144 WeakPolarHBondContact O-CB 3.36Å; R140-A144 PolarHBondContact O-N 2.85Å
141W98.1Very high97.3Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-59.5-44.7172.2-70.7-30.3000112L19 V22 L23 L118 L137 T138 R143 A144 L145 F295 M297L19-W141 HydrophobicContact CB-CZ2 4.23Å; L19-W141 HydrophobicContact CD2-CB 3.92Å; L19-W141 HydrophobicContact CD2-CD2 3.47Å; L19-W141 VanDerWaalsContact CD2-CD2 3.47Å; L19-W141 HydrophobicContact CD2-CE3 4.03Å; L19-W141 HydrophobicContact CD2-CG 3.42Å; L19-W141 VanDerWaalsContact CD2-CG 3.42Å; L19-W141 HydrophobicContact CD2-CZ2 4.3Å; L19-W141 PolarHBondContact O-NE1 2.73Å; L19-W141 VanDerWaalsContact O-NE1 3.12Å; V22-W141 VanDerWaalsContact CB-CD1 3.42Å; V22-W141 VanDerWaalsContact CB-NE1 3.31Å; V22-W141 VanDerWaalsContact CG1-CD1 3.46Å; V22-W141 HydrophobicContact CG1-CG 4.42Å; L23-W141 HydrophobicContact CD1-CZ2 3.99Å; L23-W141 HydrophobicContact CD2-CH2 4.37Å; L23-W141 HydrophobicContact CD2-CZ2 3.81Å; L23-W141 HydrophobicContact CG-CZ2 3.73Å; L118-W141 HydrophobicContact CD2-CH2 3.36Å; L118-W141 HydrophobicContact CD2-CZ2 4.01Å; L118-W141 HydrophobicContact CD2-CZ3 4.19Å; L137-W141 HydrophobicContact CD2-CD2 3.9Å; L137-W141 HydrophobicContact CD2-CE3 4.16Å; L137-W141 HydrophobicContact CD2-CH2 3.74Å; L137-W141 HydrophobicContact CD2-CZ2 3.5Å; L137-W141 VanDerWaalsContact CD2-CZ2 3.5Å; L137-W141 HydrophobicContact CD2-CZ3 4.08Å; L137-W141 PolarHBondContact O-N 2.91Å; L137-W141 VanDerWaalsContact O-N 3.07Å; T138-W141 HydrophobicContact CG2-CE3 3.89Å; T138-W141 HydrophobicContact CG2-CZ3 3.83Å; T138-W141 WeakPolarHBondContact O-CB 3.24Å; T138-W141 PolarHBondContact O-N 3.44Å; T138-W141 VanDerWaalsContact O-N 3.07Å; W141-R143 PolarHBondContact O-N 3.09Å; W141-A144 PolarHBondContact O-N 3.03Å; W141-A144 VanDerWaalsContact O-N 3.12Å; W141-L145 WeakPolarHBondContact O-CB 3.21Å; W141-L145 VanDerWaalsContact O-CG 3.3Å; W141-L145 WeakPolarHBondContact O-CG 3.42Å; W141-L145 PolarHBondContact O-N 3.41Å; W141-F295 AromaticContact CH2-CE2 3.48Å; W141-F295 HydrophobicContact CH2-CE2 3.48Å; W141-F295 VanDerWaalsContact CH2-CE2 3.48Å; W141-F295 AromaticContact CH2-CZ 3.4Å; W141-F295 HydrophobicContact CH2-CZ 3.4Å; W141-F295 HydrophobicContact CZ2-CZ 4.47Å; W141-F295 AromaticContact CZ3-CE2 3.35Å; W141-F295 HydrophobicContact CZ3-CE2 3.35Å; W141-F295 AromaticContact CZ3-CZ 3.47Å; W141-F295 HydrophobicContact CZ3-CZ 3.47Å; W141-F295 VanDerWaalsContact CZ3-CZ 3.47Å; W141-M297 HydrophobicContact CE3-SD 3.97Å; W141-M297 HydrophobicContact CH2-SD 4.4Å; W141-M297 HydrophobicContact CZ3-SD 3.59Å; W141-M297 VanDerWaalsContact CZ3-SD 3.59Å
142W98Very high97.2Very high1 Ų136.9 Ų36.90%0.00419%0.194CC..Hα-helixtrans-59.9-38.6179.9-47.6149.1000111.9T138 A139 R140 L145 G146 I147 S148 V151 W261 V272 C273 M297 L302T138-W142 VanDerWaalsContact O-CD1 3.28Å; T138-W142 VanDerWaalsContact O-CD2 3.26Å; T138-W142 VanDerWaalsContact O-CG 3.23Å; T138-W142 PolarHBondContact O-N 2.85Å; T138-W142 VanDerWaalsContact O-N 3.1Å; T138-W142 PolarHBondContact O-NE1 3.24Å; A139-W142 PolarHBondContact O-N 2.92Å; R140-W142 VanDerWaalsContact C-N 3.33Å; R140-W142 PolarHBondContact O-N 3.01Å; W142-L145 HydrophobicContact CE3-CD1 4.49Å; W142-G146 PolarHBondContact O-N 3.06Å; W142-G146 VanDerWaalsContact O-N 3.08Å; W142-I147 HydrophobicContact CB-CG1 4.12Å; W142-I147 HydrophobicContact CD2-CD1 4.48Å; W142-I147 HydrophobicContact CE3-CD1 3.73Å; W142-I147 HydrophobicContact CE3-CG1 4.18Å; W142-I147 HydrophobicContact CZ3-CD1 4.25Å; W142-I147 PolarHBondContact O-N 3.29Å; W142-S148 PolarHBondContact O-N 2.73Å; W142-S148 PolarHBondContact O-OG 3.19Å; W142-V151 HydrophobicContact CB-CG2 4.01Å; W142-V151 HydrophobicContact CD2-CG2 4.33Å; W142-V151 HydrophobicContact CG-CG2 3.69Å; W142-W261 AromaticContact CD1-CD2 3.9Å; W142-W261 AromaticContact CD1-CE2 3.99Å; W142-W261 AromaticContact CD1-CE3 3.8Å; W142-W261 AromaticContact CD1-CH2 3.93Å; W142-W261 AromaticContact CD1-CZ3 3.81Å; W142-W261 AromaticContact CE2-CG 3.98Å; W142-W261 HydrophobicContact CZ2-CB 4.13Å; W142-W261 AromaticContact CZ2-CD1 3.92Å; W142-W261 HydrophobicContact CZ2-CD2 4.48Å; W142-W261 AromaticContact CZ2-CG 3.91Å; W142-W261 HydrophobicContact CZ2-CG 3.91Å; W142-W261 AromaticContact NE1-CD1 3.76Å; W142-W261 AromaticContact NE1-CD2 3.1Å; W142-W261 AromaticContact NE1-CE2 3.24Å; W142-W261 AromaticContact NE1-CE3 3.46Å; W142-W261 AromaticContact NE1-CG 3.46Å; W142-W261 AromaticContact NE1-CZ2 3.71Å; W142-W261 AromaticContact NE1-CZ3 3.89Å; W142-W261 AromaticContact NE1-NE1 3.61Å; W142-V272 HydrophobicContact CH2-CG1 3.92Å; W142-V272 HydrophobicContact CZ2-CG1 4.48Å; W142-V272 HydrophobicContact CZ3-CG1 4.3Å; W142-C273 HydrophobicContact CH2-CB 3.88Å; W142-C273 HydrophobicContact CZ2-CB 3.72Å; W142-M297 HydrophobicContact CH2-CE 3.66Å; W142-M297 HydrophobicContact CH2-SD 4.25Å; W142-M297 HydrophobicContact CZ3-CE 3.91Å; W142-L302 HydrophobicContact CE3-CD1 4.37Å; W142-L302 HydrophobicContact CH2-CD1 4.45Å; W142-L302 HydrophobicContact CZ3-CD1 3.63Å
143R96.8Very high97.2Very high142 Ų14236.9 Ų36.954%0.53619%0.193SC..Hα-helixtrans-67.1-46.9173.7-70.9-170.5-62.7-87.61.8111.9A139 R140 W141 L145 G146 S148A139-R143 PolarHBondContact O-N 2.76Å; R140-R143 PolarHBondContact O-N 3.04Å; W141-R143 PolarHBondContact O-N 3.09Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 2.88Å; R143-G146 PolarHBondContact O-N 2.83Å; R143-S148 VanDerWaalsContact CA-OG 3.31Å; R143-S148 WeakPolarHBondContact CA-OG 2.94Å; R143-S148 WeakPolarHBondContact CG-OG 3.32Å; R143-S148 PolarHBondContact N-OG 2.71Å
144A95.1Very high97.1Very high49 Ų4937.3 Ų37.341%0.40520%0.196SC..Hα-helixtrans-64.4-31.2-178.800000112.9T18 R140 W141T18-A144 HydrophobicContact CG2-CB 3.61Å; R140-A144 WeakPolarHBondContact O-CB 3.36Å; R140-A144 PolarHBondContact O-N 2.85Å; W141-A144 PolarHBondContact O-N 3.03Å; W141-A144 VanDerWaalsContact O-N 3.12Å
145L95.7Very high97.1Very high0 Ų037.3 Ų37.30%020%0.196CC..THydrogen-bonded Turntrans-87.1-7.3175.3-63.7176.4000113.1I15 T18 L19 W141 W142 R143 I147 L302 V306 N310 F313I15-L145 HydrophobicContact CG1-CD2 4.16Å; I15-L145 HydrophobicContact CG2-CD2 4.33Å; T18-L145 HydrophobicContact CG2-CD2 4.03Å; L19-L145 HydrophobicContact CD2-CD1 4.16Å; W141-L145 WeakPolarHBondContact O-CB 3.21Å; W141-L145 VanDerWaalsContact O-CG 3.3Å; W141-L145 WeakPolarHBondContact O-CG 3.42Å; W141-L145 PolarHBondContact O-N 3.41Å; W142-L145 HydrophobicContact CE3-CD1 4.49Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 2.88Å; L145-I147 HydrophobicContact CB-CD1 4.48Å; L145-I147 HydrophobicContact CB-CG1 4.17Å; L145-I147 HydrophobicContact CD1-CD1 4.5Å; L145-L302 HydrophobicContact CD1-CD1 3.88Å; L145-L302 HydrophobicContact CD1-CD2 3.87Å; L145-L302 HydrophobicContact CD1-CG 4.18Å; L145-V306 HydrophobicContact CB-CG2 4.2Å; L145-V306 HydrophobicContact CD1-CG2 4.24Å; L145-N310 PolarHBondContact O-ND2 2.8Å; L145-F313 HydrophobicContact CD2-CE2 3.86Å; L145-F313 HydrophobicContact CD2-CZ 3.75Å
146G96Very high97Very high40 Ų4037.4 Ų37.441%0.41220%0.196SC..THydrogen-bonded Turntrans67.235.4-178.600000114W142 R143W142-G146 PolarHBondContact O-N 3.06Å; W142-G146 VanDerWaalsContact O-N 3.08Å; R143-G146 PolarHBondContact O-N 2.83Å
147I95.8Very high96.8Very high0 Ų035 Ų350%018%0.184CC..  trans-121.67.7-178.266.5170.8000114W142 L145 E149 H150 V151 L302 L305 V306 V309 N310W142-I147 HydrophobicContact CB-CG1 4.12Å; W142-I147 HydrophobicContact CD2-CD1 4.48Å; W142-I147 HydrophobicContact CE3-CD1 3.73Å; W142-I147 HydrophobicContact CE3-CG1 4.18Å; W142-I147 HydrophobicContact CZ3-CD1 4.25Å; W142-I147 PolarHBondContact O-N 3.29Å; L145-I147 HydrophobicContact CB-CD1 4.48Å; L145-I147 HydrophobicContact CB-CG1 4.17Å; L145-I147 HydrophobicContact CD1-CD1 4.5Å; I147-E149 PolarHBondContact O-N 3.29Å; I147-E149 VanDerWaalsContact O-N 3.14Å; I147-H150 PolarHBondContact O-N 2.68Å; I147-V151 HydrophobicContact CD1-CG1 4.5Å; I147-L302 HydrophobicContact CD1-CD1 3.83Å; I147-L305 HydrophobicContact CD1-CD2 3.8Å; I147-L305 HydrophobicContact CD1-CG 4.22Å; I147-V306 HydrophobicContact CD1-CG2 4.31Å; I147-V306 HydrophobicContact CG2-CB 4.49Å; I147-V306 HydrophobicContact CG2-CG2 3.95Å; I147-V309 HydrophobicContact CB-CG2 4.06Å; I147-V309 HydrophobicContact CG2-CG2 3.55Å; I147-N310 HydrophobicContact CG2-CB 4.41Å
148S96.2Very high96.6Very high51 Ų5135.1 Ų35.136%0.35719%0.185SC..G310 helixtrans-53.6-35.1-175.6-67.60000114.8W142 R143 H150W142-S148 PolarHBondContact O-N 2.73Å; W142-S148 PolarHBondContact O-OG 3.19Å; R143-S148 VanDerWaalsContact CA-OG 3.31Å; R143-S148 WeakPolarHBondContact CA-OG 2.94Å; R143-S148 WeakPolarHBondContact CG-OG 3.32Å; R143-S148 PolarHBondContact N-OG 2.71Å; S148-H150 PolarHBondContact O-N 2.86Å
149E93.7Very high96.3Very high147 Ų14735.1 Ų35.169%0.68719%0.185SC*.G310 helixtrans-75.3-11.6-179.6-57.5-166.1156.300113.4I147I147-E149 PolarHBondContact O-N 3.29Å; I147-E149 VanDerWaalsContact O-N 3.14Å
150H95.3Very high95.9Very high68 Ų6836.1 Ų36.132%0.31519%0.192SC..G310 helixtrans-107.65.7-174.5-59.4-75000112.9I147 S148 T263 L305 V309I147-H150 PolarHBondContact O-N 2.68Å; S148-H150 PolarHBondContact O-N 2.86Å; H150-T263 WeakPolarHBondContact O-CB 3.39Å; H150-T263 PolarHBondContact O-OG1 3.35Å; H150-L305 HydrophobicContact CB-CD1 4.49Å; H150-V309 HydrophobicContact CB-CB 4.36Å; H150-V309 HydrophobicContact CB-CG1 4.16Å; H150-V309 HydrophobicContact CB-CG2 4.07Å; H150-V309 VanDerWaalsContact CD2-CG2 3.44Å; H150-V309 WeakPolarHBondContact CD2-CG2 3.44Å
151V96.7Very high95.3Very high11 Ų1137.1 Ų37.17%0.06720%0.204CC..  trans-128.4142.6177.3-63.80000110.5W142 I147 W261 V262 V272 L305W142-V151 HydrophobicContact CB-CG2 4.01Å; W142-V151 HydrophobicContact CD2-CG2 4.33Å; W142-V151 HydrophobicContact CG-CG2 3.69Å; I147-V151 HydrophobicContact CD1-CG1 4.5Å; V151-W261 HydrophobicContact CB-CE3 4.1Å; V151-W261 HydrophobicContact CG2-CE3 3.93Å; V151-W261 HydrophobicContact CG2-CZ3 4.16Å; V151-V262 CarbonylContact C-O 3.49Å; V151-V262 VanDerWaalsContact CA-O 3.26Å; V151-V262 WeakPolarHBondContact CA-O 3.44Å; V151-V272 HydrophobicContact CG1-CG2 4.18Å; V151-L305 HydrophobicContact CG1-CD2 3.79Å
152T97.3Very high94.8Very high68 Ų6844.7 Ų44.742%0.41724%0.239SC..EExtended strand (participates in β ladder)trans-126.2137.2178.8-56.30000109W261 V262T152-W261 CarbonylContact O-C 3.47Å; T152-W261 WeakPolarHBondContact O-CA 3.37Å; T152-V262 PolarHBondContact N-O 3.42Å; T152-V262 PolarHBondContact O-N 3.05Å
153L98.4Very high94.4Very high0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans-87.3118.3176178.559.1000109.8I135 L234 I239 Y241 T242 F259 W261I135-L153 HydrophobicContact CD1-CD2 4.44Å; I135-L153 HydrophobicContact CG2-CD2 3.46Å; I135-L153 VanDerWaalsContact CG2-CD2 3.46Å; L153-L234 HydrophobicContact CD2-CD1 4.18Å; L153-I239 HydrophobicContact CD2-CG2 3.85Å; L153-Y241 CarbonylContact O-C 3.37Å; L153-Y241 VanDerWaalsContact O-CA 3.28Å; L153-Y241 WeakPolarHBondContact O-CA 3.46Å; L153-T242 PolarHBondContact O-N 3.11Å; L153-F259 HydrophobicContact CD1-CB 3.97Å; L153-F259 HydrophobicContact CD1-CD2 4Å; L153-F259 HydrophobicContact CD1-CG 4.38Å; L153-W261 HydrophobicContact CB-CD2 4.25Å; L153-W261 HydrophobicContact CB-CE3 3.91Å; L153-W261 HydrophobicContact CB-CH2 3.83Å; L153-W261 HydrophobicContact CB-CZ2 4.16Å; L153-W261 HydrophobicContact CB-CZ3 3.7Å; L153-W261 HydrophobicContact CD1-CD2 4.21Å; L153-W261 HydrophobicContact CD1-CZ2 4.25Å; L153-W261 HydrophobicContact CD2-CH2 4.32Å; L153-W261 HydrophobicContact CD2-CZ2 4.16Å; L153-W261 HydrophobicContact CG-CZ2 4.45Å
154E97.5Very high94Very high49 Ų4939.8 Ų39.823%0.22922%0.222CC..EExtended strand (participates in β ladder)trans-99.8133.3164.5-66.2-171.9-171.400109.3T242 N244 L247 F259 E260 V262E154-T242 WeakPolarHBondContact CA-O 3.31Å; E154-N244 HydrophobicContact CB-CB 4.29Å; E154-N244 PolarHBondContact OE2-ND2 3.08Å; E154-L247 HydrophobicContact CB-CD2 4.37Å; E154-F259 CarbonylContact O-C 3.59Å; E154-F259 VanDerWaalsContact O-CA 3.27Å; E154-F259 WeakPolarHBondContact O-CA 3.36Å; E154-E260 PolarHBondContact N-O 2.68Å; E154-E260 PolarHBondContact O-N 2.86Å; E154-V262 HydrophobicContact CG-CG2 4.08Å
155L97.3Very high93.6Very high0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-130.8143.1-172.8-170.968.5000110.4I135 F227 L230 L234 Y241 T242 V243 N244 T257 F259I135-L155 HydrophobicContact CD1-CD1 4.1Å; L155-F227 HydrophobicContact CD2-CE2 3.8Å; L155-F227 HydrophobicContact CD2-CZ 4.07Å; L155-F227 HydrophobicContact CG-CE2 3.72Å; L155-F227 HydrophobicContact CG-CZ 4.14Å; L155-L230 HydrophobicContact CD1-CD2 3.91Å; L155-L230 HydrophobicContact CD2-CD2 4.12Å; L155-L230 HydrophobicContact CD2-CG 4.32Å; L155-L234 HydrophobicContact CD2-CD1 3.95Å; L155-Y241 HydrophobicContact CB-CD2 4.19Å; L155-Y241 HydrophobicContact CD2-CD2 4.03Å; L155-Y241 HydrophobicContact CD2-CE2 4.28Å; L155-Y241 HydrophobicContact CD2-CG 4.46Å; L155-T242 PolarHBondContact N-O 3.31Å; L155-V243 CarbonylContact O-C 3.46Å; L155-V243 VanDerWaalsContact O-CA 3.28Å; L155-V243 WeakPolarHBondContact O-CA 3.4Å; L155-N244 PolarHBondContact O-N 3.34Å; L155-T257 HydrophobicContact CD1-CG2 4.11Å; L155-F259 HydrophobicContact CD1-CB 3.78Å
156N96Very high93.4Very high1 Ų143.7 Ų43.71%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-151.3164.1171.6-164.322000111.3F227 N244 Q245 L247 V258N156-F227 VanDerWaalsContact C-CE2 3.42Å; N156-N244 VanDerWaalsContact CB-O 3.3Å; N156-N244 WeakPolarHBondContact CB-O 3.48Å; N156-N244 VanDerWaalsContact CG-O 3.27Å; N156-N244 PolarHBondContact ND2-O 3.15Å; N156-Q245 PolarHBondContact ND2-O 2.76Å; N156-L247 HydrophobicContact CB-CB 3.9Å; N156-L247 HydrophobicContact CB-CD2 4.28Å; N156-L247 HydrophobicContact CB-CG 4.35Å; N156-L247 PolarHBondContact ND2-O 3.34Å; N156-V258 HydrophobicContact CB-CG2 3.83Å; N156-V258 PolarHBondContact N-O 3.44Å; N156-V258 PolarHBondContact O-N 2.83Å; N156-V258 VanDerWaalsContact O-O 3.07Å
157S95.8Very high93.3Very high1 Ų142 Ų421%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-117.9124.9164.8-179.70000108.5L215 R256S157-L215 WeakPolarHBondContact O-CD2 3.45Å; S157-R256 CarbonylContact C-O 3.55Å; S157-R256 VanDerWaalsContact CA-O 3.26Å; S157-R256 WeakPolarHBondContact CA-O 3.43Å
158I93.5Very high93.1Very high3 Ų347.6 Ų47.62%0.01524%0.243CC..  trans-99.618.5177.656.9173.1000113.1R164 L215 V248 R256 V258I158-R164 PolarHBondContact O-NH2 3.12Å; I158-L215 HydrophobicContact CB-CD1 4.49Å; I158-L215 HydrophobicContact CG2-CD1 4.12Å; I158-V248 HydrophobicContact CG2-CG1 4.13Å; I158-R256 WeakPolarHBondContact CG1-O 3.47Å; I158-R256 PolarHBondContact N-O 2.87Å; I158-V258 HydrophobicContact CD1-CG1 3.6Å; I158-V258 HydrophobicContact CG1-CG1 3.97Å; I158-V258 HydrophobicContact CG1-CG2 4.48Å; I158-V258 HydrophobicContact CG2-CG2 3.9Å
159G93.4Very high93Very high0 Ų049.6 Ų49.60%025%0.25CC..  trans66.7-179.4173.500000115.8L219 R256G159-L219 VanDerWaalsContact CA-CD2 3.45Å; G159-R256 PolarHBondContact O-N 3.17Å
160S89.7Confident93Very high27 Ų2743.6 Ų43.619%0.18923%0.225CC..  trans-63.3170.1162.665.70000111.5E162 A163 R164 D220 S223S160-E162 PolarHBondContact O-N 2.92Å; S160-A163 PolarHBondContact O-N 3.02Å; S160-A163 WeakPolarHBondContact OG-CB 3.29Å; S160-A163 PolarHBondContact OG-N 3.45Å; S160-A163 VanDerWaalsContact OG-N 3.13Å; S160-R164 VanDerWaalsContact O-CB 3.31Å; S160-R164 WeakPolarHBondContact O-CB 3.37Å; S160-R164 PolarHBondContact O-N 3.06Å; S160-D220 WeakPolarHBondContact CB-OD2 3.36Å; S160-D220 PolarHBondContact N-OD2 2.9Å; S160-D220 VanDerWaalsContact N-OD2 3.08Å; S160-D220 PolarHBondContact OG-OD2 2.86Å; S160-S223 PolarHBondContact N-OG 3.45Å
161L85.3Confident93Very high121 Ų12140.3 Ų40.363%0.63421%0.21SC*.Hα-helixtrans-60.2-34.1174-66.6175.4000112.1A165L161-A165 PolarHBondContact O-N 2.86Å
162E86.9Confident92.9Very high159 Ų15941 Ų4174%0.74321%0.214SC*.Hα-helixtrans-72.4-49178.3-64.3-179177.600111.9S160 R164 A165 N166S160-E162 PolarHBondContact O-N 2.92Å; E162-R164 PolarHBondContact O-N 3.2Å; E162-A165 WeakPolarHBondContact O-CB 3.36Å; E162-A165 PolarHBondContact O-N 3.31Å; E162-N166 PolarHBondContact O-N 3.04Å; E162-N166 VanDerWaalsContact O-N 3.08Å
163A89.2Confident92.8Very high7 Ų740 Ų406%0.05821%0.212CC..Hα-helixtrans-56.5-40.4174.300000111.6S160 N166 Y167 Y218 D220S160-A163 PolarHBondContact O-N 3.02Å; S160-A163 WeakPolarHBondContact OG-CB 3.29Å; S160-A163 PolarHBondContact OG-N 3.45Å; S160-A163 VanDerWaalsContact OG-N 3.13Å; A163-N166 PolarHBondContact O-N 2.96Å; A163-Y167 PolarHBondContact O-N 3.01Å; A163-Y218 WeakPolarHBondContact CB-O 3.34Å; A163-D220 HydrophobicContact CB-CB 4.41Å; A163-D220 WeakPolarHBondContact CB-OD2 3.41Å
164R88.5Confident92.7Very high34 Ų3441 Ų4113%0.12822%0.216CC..Hα-helixtrans-63.2-40.5174.4-178176.7-61.6163.726112.9I158 S160 E162 N166 Y167 R168 L195 D252 Y254I158-R164 PolarHBondContact O-NH2 3.12Å; S160-R164 VanDerWaalsContact O-CB 3.31Å; S160-R164 WeakPolarHBondContact O-CB 3.37Å; S160-R164 PolarHBondContact O-N 3.06Å; E162-R164 PolarHBondContact O-N 3.2Å; R164-N166 VanDerWaalsContact C-N 3.33Å; R164-Y167 PolarHBondContact O-N 3.44Å; R164-R168 VanDerWaalsContact O-CB 3.27Å; R164-R168 WeakPolarHBondContact O-CB 3.44Å; R164-R168 PolarHBondContact O-N 2.87Å; R164-L195 HydrophobicContact CG-CD1 3.8Å; R164-D252 PolarHBondContact NH1-O 2.94Å; R164-Y254 PolarHBondContact NH1-O 3.17Å; R164-Y254 PolarHBondContact NH2-O 3.31Å
165A88.4Confident92.5Very high31 Ų3138.6 Ų38.626%0.25621%0.205SC..Hα-helixtrans-62.8-42.4177.600000111.2L161 E162 R168 D169L161-A165 PolarHBondContact O-N 2.86Å; E162-A165 WeakPolarHBondContact O-CB 3.36Å; E162-A165 PolarHBondContact O-N 3.31Å; A165-R168 WeakPolarHBondContact O-CB 3.36Å; A165-R168 PolarHBondContact O-N 2.88Å; A165-D169 PolarHBondContact O-N 3.27Å
166N91.6Very high92.4Very high99 Ų9943.1 Ų43.153%0.52923%0.227SC..Hα-helixtrans-63.7-44.9175.8-64.3-27.3000112E162 A163 R164 R168 D169 A170 Y218E162-N166 PolarHBondContact O-N 3.04Å; E162-N166 VanDerWaalsContact O-N 3.08Å; A163-N166 PolarHBondContact O-N 2.96Å; R164-N166 VanDerWaalsContact C-N 3.33Å; N166-R168 VanDerWaalsContact C-N 3.31Å; N166-R168 PolarHBondContact O-N 2.83Å; N166-D169 PolarHBondContact O-N 3.35Å; N166-A170 PolarHBondContact O-N 2.82Å; N166-Y218 HydrophobicContact CB-CD1 4.34Å
167Y93.6Very high92.3Very high4 Ų450.1 Ų50.12%0.01626%0.259CS..Hα-helixtrans-64-38.4176.7179.6-109.9000112.2A163 R164 D169 A170 L171 L195 L198 P213 L215 Y218A163-Y167 PolarHBondContact O-N 3.01Å; R164-Y167 PolarHBondContact O-N 3.44Å; Y167-D169 VanDerWaalsContact C-N 3.32Å; Y167-D169 PolarHBondContact O-N 3.23Å; Y167-A170 PolarHBondContact O-N 2.71Å; Y167-L171 HydrophobicContact CE1-CB 4.33Å; Y167-L171 HydrophobicContact CE1-CD2 4Å; Y167-L171 WeakPolarHBondContact O-CB 3.24Å; Y167-L171 PolarHBondContact O-N 2.85Å; Y167-L195 HydrophobicContact CD1-CD2 3.53Å; Y167-L195 HydrophobicContact CE1-CD2 3.59Å; Y167-L198 HydrophobicContact CE1-CD1 3.91Å; Y167-P213 HydrophobicContact CE2-CB 4.16Å; Y167-P213 WeakPolarHBondContact CE2-O 3.23Å; Y167-P213 PolarHBondContact OH-O 3.32Å; Y167-L215 HydrophobicContact CD1-CB 4.32Å; Y167-L215 HydrophobicContact CD1-CD1 3.67Å; Y167-L215 HydrophobicContact CD1-CG 3.8Å; Y167-L215 HydrophobicContact CD2-CB 4.29Å; Y167-L215 HydrophobicContact CD2-CG 4.33Å; Y167-L215 HydrophobicContact CE1-CB 3.99Å; Y167-L215 HydrophobicContact CE1-CD1 3.62Å; Y167-L215 HydrophobicContact CE1-CG 3.9Å; Y167-L215 HydrophobicContact CE2-CB 3.95Å; Y167-L215 HydrophobicContact CE2-CG 4.39Å; Y167-L215 HydrophobicContact CG-CB 4.45Å; Y167-L215 HydrophobicContact CG-CD1 4.39Å; Y167-L215 HydrophobicContact CG-CG 4.02Å; Y167-Y218 AromaticContact CD2-CD2 3.57Å; Y167-Y218 HydrophobicContact CD2-CD2 3.57Å; Y167-Y218 HydrophobicContact CD2-CE2 4.05Å; Y167-Y218 AromaticContact CD2-CG 3.83Å; Y167-Y218 HydrophobicContact CD2-CG 3.83Å; Y167-Y218 HydrophobicContact CE2-CD2 4.27Å; Y167-Y218 HydrophobicContact CG-CG 4.42Å
168R91.8Very high92.2Very high119 Ų11952.5 Ų52.545%0.44927%0.27SS..Hα-helixtrans-55.5-49.7175.9175.8177.673-159.3-3.7110.9R164 A165 N166 A170 L171 V172 P194R164-R168 VanDerWaalsContact O-CB 3.27Å; R164-R168 WeakPolarHBondContact O-CB 3.44Å; R164-R168 PolarHBondContact O-N 2.87Å; A165-R168 WeakPolarHBondContact O-CB 3.36Å; A165-R168 PolarHBondContact O-N 2.88Å; N166-R168 VanDerWaalsContact C-N 3.31Å; N166-R168 PolarHBondContact O-N 2.83Å; R168-A170 VanDerWaalsContact C-N 3.3Å; R168-A170 PolarHBondContact O-N 3.07Å; R168-L171 PolarHBondContact O-N 3.29Å; R168-V172 HydrophobicContact CG-CG2 4.41Å; R168-V172 VanDerWaalsContact O-CG2 3.32Å; R168-V172 WeakPolarHBondContact O-CG2 3.45Å; R168-V172 PolarHBondContact O-N 3.02Å; R168-P194 HydrophobicContact CG-CG 3.42Å; R168-P194 VanDerWaalsContact CG-CG 3.42Å
169D93Very high92.1Very high93 Ų9356.7 Ų56.750%0.49729%0.288SS..Hα-helixtrans-64.1-39.6-176.8-64.1-9.8000110.9A165 N166 Y167 V172 A173A165-D169 PolarHBondContact O-N 3.27Å; N166-D169 PolarHBondContact O-N 3.35Å; Y167-D169 VanDerWaalsContact C-N 3.32Å; Y167-D169 PolarHBondContact O-N 3.23Å; D169-V172 PolarHBondContact O-N 3.02Å; D169-A173 WeakPolarHBondContact O-CB 3.32Å; D169-A173 PolarHBondContact O-N 2.85Å
170A94.1Very high92Very high20 Ų2065.8 Ų65.817%0.16533%0.331CS..Hα-helixtrans-64.2-42.7173.400000113N166 Y167 R168 A173 F174 P213 Y218N166-A170 PolarHBondContact O-N 2.82Å; Y167-A170 PolarHBondContact O-N 2.71Å; R168-A170 VanDerWaalsContact C-N 3.3Å; R168-A170 PolarHBondContact O-N 3.07Å; A170-A173 PolarHBondContact O-N 2.9Å; A170-F174 PolarHBondContact O-N 3.02Å; A170-P213 HydrophobicContact CB-CG 4.46Å; A170-Y218 HydrophobicContact CB-CE1 3.62Å; A170-Y218 HydrophobicContact CB-CE2 4.38Å; A170-Y218 VanDerWaalsContact CB-CZ 3.49Å; A170-Y218 WeakPolarHBondContact CB-OH 3.49Å
171L94.7Very high92Very high0 Ų070.2 Ų70.20%035%0.346CS..Hα-helixtrans-65.4-42.2178-179.259.7000111.2Y167 R168 F174 L175 P194 L195 L198 A212Y167-L171 HydrophobicContact CE1-CB 4.33Å; Y167-L171 HydrophobicContact CE1-CD2 4Å; Y167-L171 WeakPolarHBondContact O-CB 3.24Å; Y167-L171 PolarHBondContact O-N 2.85Å; R168-L171 PolarHBondContact O-N 3.29Å; L171-F174 PolarHBondContact O-N 3.07Å; L171-L175 HydrophobicContact CD1-CD1 4.1Å; L171-L175 HydrophobicContact CD1-CG 4.06Å; L171-L175 HydrophobicContact CG-CD1 3.9Å; L171-L175 HydrophobicContact CG-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.49Å; L171-P194 HydrophobicContact CD2-CB 4.17Å; L171-P194 WeakPolarHBondContact CD2-O 3.35Å; L171-P194 HydrophobicContact CG-CB 4.46Å; L171-L195 HydrophobicContact CD2-CD2 4.31Å; L171-L198 HydrophobicContact CD1-CD2 4.3Å; L171-L198 HydrophobicContact CD2-CD1 4.27Å; L171-L198 HydrophobicContact CD2-CD2 4.39Å; L171-L198 HydrophobicContact CD2-CG 4.11Å; L171-A212 HydrophobicContact CD1-CB 4.46Å
172V94.7Very high92.3Very high26 Ų2664.7 Ų64.716%0.15832%0.318CS..Hα-helixtrans-60.9-48.7175173.80000110.5R168 D169 F174 L175 E176 M190 Y191 P194R168-V172 HydrophobicContact CG-CG2 4.41Å; R168-V172 VanDerWaalsContact O-CG2 3.32Å; R168-V172 WeakPolarHBondContact O-CG2 3.45Å; R168-V172 PolarHBondContact O-N 3.02Å; D169-V172 PolarHBondContact O-N 3.02Å; V172-F174 VanDerWaalsContact C-N 3.26Å; V172-F174 PolarHBondContact O-N 3.47Å; V172-L175 PolarHBondContact O-N 2.77Å; V172-L175 VanDerWaalsContact O-N 3.13Å; V172-E176 HydrophobicContact CG1-CG 4.26Å; V172-E176 WeakPolarHBondContact O-CG 2.97Å; V172-E176 PolarHBondContact O-N 2.87Å; V172-M190 WeakPolarHBondContact CG2-O 3.47Å; V172-Y191 HydrophobicContact CG1-CE1 4.33Å; V172-P194 HydrophobicContact CG2-CB 3.89Å; V172-P194 HydrophobicContact CG2-CG 3.79Å
173A95.7Very high92.5Very high45 Ų4559.4 Ų59.437%0.37229%0.294SS..Hα-helixtrans-58.8-37.5178.800000112.7D169 A170 Q177D169-A173 WeakPolarHBondContact O-CB 3.32Å; D169-A173 PolarHBondContact O-N 2.85Å; A170-A173 PolarHBondContact O-N 2.9Å; A173-Q177 WeakPolarHBondContact O-CG 3.4Å; A173-Q177 PolarHBondContact O-NE2 2.84Å
174F95.4Very high92.6Very high21 Ų2165.5 Ų65.59%0.09232%0.322CS..Hα-helixtrans-67-48.9173.1174.3-96.5000112A170 L171 V172 E176 Q177 H178 L208 D211 A212 P213A170-F174 PolarHBondContact O-N 3.02Å; L171-F174 PolarHBondContact O-N 3.07Å; V172-F174 VanDerWaalsContact C-N 3.26Å; V172-F174 PolarHBondContact O-N 3.47Å; F174-E176 VanDerWaalsContact C-N 3.3Å; F174-E176 PolarHBondContact O-N 3.02Å; F174-Q177 WeakPolarHBondContact O-CB 3.31Å; F174-Q177 PolarHBondContact O-N 3.31Å; F174-H178 AromaticContact CE2-CD2 3.63Å; F174-H178 AromaticContact CE2-NE2 3.61Å; F174-H178 AromaticContact CZ-CD2 3.62Å; F174-H178 AromaticContact CZ-NE2 3.93Å; F174-H178 PolarHBondContact O-CD2 3.32Å; F174-H178 VanDerWaalsContact O-CD2 3.28Å; F174-L208 HydrophobicContact CE1-CD1 4.15Å; F174-L208 HydrophobicContact CE1-CG 4.06Å; F174-L208 HydrophobicContact CZ-CD1 3.88Å; F174-L208 HydrophobicContact CZ-CG 4.23Å; F174-D211 HydrophobicContact CE2-CB 4.19Å; F174-D211 WeakPolarHBondContact CE2-O 3.27Å; F174-D211 HydrophobicContact CZ-CB 4.07Å; F174-A212 HydrophobicContact CD1-CB 3.85Å; F174-A212 HydrophobicContact CE1-CB 3.62Å; F174-A212 HydrophobicContact CG-CB 4.48Å; F174-A212 HydrophobicContact CZ-CB 4.07Å; F174-P213 HydrophobicContact CB-CG 4.32Å
175L94.8Very high92.6Very high0 Ų066.5 Ų66.50%033%0.33CS..Hα-helixtrans-64.5-33.4-177.9-69.3173.7000112.4L171 V172 Q177 H178 K179 L182 M190 P194 V197 L209L171-L175 HydrophobicContact CD1-CD1 4.1Å; L171-L175 HydrophobicContact CD1-CG 4.06Å; L171-L175 HydrophobicContact CG-CD1 3.9Å; L171-L175 HydrophobicContact CG-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 3.49Å; V172-L175 PolarHBondContact O-N 2.77Å; V172-L175 VanDerWaalsContact O-N 3.13Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; L175-Q177 PolarHBondContact O-N 2.73Å; L175-H178 CarbonylContact O-C 3.41Å; L175-H178 VanDerWaalsContact O-C 3.3Å; L175-H178 PolarHBondContact O-N 3.38Å; L175-H178 VanDerWaalsContact O-N 3.09Å; L175-K179 PolarHBondContact O-N 2.84Å; L175-L182 HydrophobicContact CB-CD1 4.16Å; L175-L182 HydrophobicContact CD2-CD1 4.18Å; L175-L182 HydrophobicContact CD2-CD2 4Å; L175-M190 HydrophobicContact CB-CG 3.77Å; L175-M190 HydrophobicContact CB-SD 3.37Å; L175-M190 WeakPolarHBondContact CB-SD 3.42Å; L175-M190 HydrophobicContact CD1-CB 4.34Å; L175-M190 HydrophobicContact CD1-CG 3.88Å; L175-M190 HydrophobicContact CD1-SD 4.5Å; L175-P194 HydrophobicContact CD1-CB 4.48Å; L175-V197 HydrophobicContact CD1-CB 4.04Å; L175-V197 HydrophobicContact CD1-CG1 4.05Å; L175-V197 HydrophobicContact CD1-CG2 3.94Å; L175-V197 HydrophobicContact CD2-CG1 3.84Å; L175-L209 HydrophobicContact CD2-CD2 4.41Å
176E95.1Very high92.7Very high95 Ų9565.2 Ų65.244%0.44432%0.318SS..Hα-helixtrans-63-36.3175.7-76-170.3147.500112.8V172 F174 H178 K179 M190 Y191V172-E176 HydrophobicContact CG1-CG 4.26Å; V172-E176 WeakPolarHBondContact O-CG 2.97Å; V172-E176 PolarHBondContact O-N 2.87Å; F174-E176 VanDerWaalsContact C-N 3.3Å; F174-E176 PolarHBondContact O-N 3.02Å; E176-H178 PolarHBondContact O-N 2.87Å; E176-K179 PolarHBondContact O-N 3.46Å; E176-M190 HydrophobicContact CG-CE 4.14Å; E176-M190 HydrophobicContact CG-SD 4.18Å; E176-Y191 VanDerWaalsContact OE1-CE1 3.23Å; E176-Y191 WeakPolarHBondContact OE1-CE1 3.49Å; E176-Y191 PolarHBondContact OE1-OH 3.24Å
177Q94.3Very high92.7Very high148 Ų14863.1 Ų63.169%0.69231%0.305SS*.Hα-helixtrans-67.8-19.3175.6-65.1172.437.200112.6A173 F174 L175A173-Q177 WeakPolarHBondContact O-CG 3.4Å; A173-Q177 PolarHBondContact O-NE2 2.84Å; F174-Q177 WeakPolarHBondContact O-CB 3.31Å; F174-Q177 PolarHBondContact O-N 3.31Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; L175-Q177 PolarHBondContact O-N 2.73Å
178H93.6Very high92.5Very high51 Ų5168 Ų6824%0.23632%0.323CS..THydrogen-bonded Turntrans-12220.2-175.8-60.5-61.4000112.9F174 L175 E176 E180 K181 L208F174-H178 AromaticContact CE2-CD2 3.63Å; F174-H178 AromaticContact CE2-NE2 3.61Å; F174-H178 AromaticContact CZ-CD2 3.62Å; F174-H178 AromaticContact CZ-NE2 3.93Å; F174-H178 PolarHBondContact O-CD2 3.32Å; F174-H178 VanDerWaalsContact O-CD2 3.28Å; L175-H178 CarbonylContact O-C 3.41Å; L175-H178 VanDerWaalsContact O-C 3.3Å; L175-H178 PolarHBondContact O-N 3.38Å; L175-H178 VanDerWaalsContact O-N 3.09Å; E176-H178 PolarHBondContact O-N 2.87Å; H178-E180 PolarHBondContact O-N 3.28Å; H178-K181 PolarHBondContact O-N 2.8Å; H178-L208 HydrophobicContact CB-CD1 3.62Å; H178-L208 HydrophobicContact CB-CD2 3.63Å; H178-L208 HydrophobicContact CB-CG 4.24Å; H178-L208 VanDerWaalsContact CG-CD1 3.42Å
179K90.5Very high92.4Very high91 Ų9164.2 Ų64.240%0.39631%0.309SS..G310 helixtrans-53.8-31.6-173.7-172.6173.6-176.3169.20114.2L175 E176 K181 L182 K187 M190L175-K179 PolarHBondContact O-N 2.84Å; E176-K179 PolarHBondContact O-N 3.46Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.95Å; K179-L182 PolarHBondContact O-N 3.42Å; K179-K187 HydrophobicContact CG-CG 4.47Å; K179-K187 WeakPolarHBondContact O-CE 3.44Å; K179-M190 HydrophobicContact CD-CE 4.29Å; K179-M190 HydrophobicContact CG-CE 4.42Å
180E91.3Very high92.3Very high191 Ų19159.8 Ų59.889%0.89329%0.285SS*.G310 helixtrans-68.8-25.3179-62.4-172.4164.300113.5H178H178-E180 PolarHBondContact O-N 3.28Å
181K89.8Confident92.1Very high119 Ų11964.8 Ų64.852%0.51730%0.301SS..G310 helixtrans-88.6-5178.5-61.9-176.7179.3179.90113.3H178 K179 L208H178-K181 PolarHBondContact O-N 2.8Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.95Å; K181-L208 HydrophobicContact CB-CD2 4.35Å; K181-L208 HydrophobicContact CD-CD1 4.41Å
182L91.3Very high91.8Very high6 Ų668.5 Ų68.53%0.03132%0.323CS..SBendtrans-86.9138.1178.9-59.8-178.5000110L175 K179 C186 K187 M190 V205 L208L175-L182 HydrophobicContact CB-CD1 4.16Å; L175-L182 HydrophobicContact CD2-CD1 4.18Å; L175-L182 HydrophobicContact CD2-CD2 4Å; K179-L182 PolarHBondContact O-N 3.42Å; L182-C186 HydrophobicContact CB-CB 3.99Å; L182-C186 HydrophobicContact CD2-CB 4.19Å; L182-C186 HydrophobicContact CG-CB 4.48Å; L182-K187 HydrophobicContact CB-CG 3.81Å; L182-K187 WeakPolarHBondContact O-CE 3.4Å; L182-M190 HydrophobicContact CD1-SD 3.87Å; L182-V205 HydrophobicContact CD2-CG1 4.25Å; L182-V205 HydrophobicContact CD2-CG2 4.23Å; L182-L208 HydrophobicContact CD2-CD2 3.79Å
183D91.7Very high91.4Very high47 Ų4768.1 Ų68.125%0.25132%0.32SS..  trans-69.5166.8164.859.958.5000111.5D185 C186 K187 N202D183-D185 PolarHBondContact O-N 3.43Å; D183-D185 PolarHBondContact OD1-N 3.34Å; D183-D185 VanDerWaalsContact OD1-N 3.17Å; D183-C186 PolarHBondContact O-N 3.36Å; D183-C186 WeakPolarHBondContact OD1-CB 3.47Å; D183-C186 PolarHBondContact OD1-N 2.92Å; D183-C186 PolarHBondContact OD1-SG 3.35Å; D183-K187 WeakPolarHBondContact O-CG 3.24Å; D183-K187 PolarHBondContact O-N 2.94Å; D183-N202 WeakPolarHBondContact OD2-CB 3.3Å; D183-N202 PolarHBondContact OD2-ND2 3.21Å
184E91.1Very high91.2Very high136 Ų13666.1 Ų66.164%0.63630%0.304SS*.Hα-helixtrans-61.8-29.1-175.6-64.4-55.6119.600113.4K187 R188E184-K187 IonicContact OE1-NZ 3.9Å; E184-K187 PolarHBondContact OE1-NZ 3.14Å; E184-R188 PolarHBondContact O-N 2.91Å; E184-R188 VanDerWaalsContact O-N 3.12Å
185D88.3Confident90.9Very high55 Ų5565.8 Ų65.829%0.29430%0.303SS..Hα-helixtrans-73.1-43.6177.2-165.165.2000110.8D183 R188 R189D183-D185 PolarHBondContact O-N 3.43Å; D183-D185 PolarHBondContact OD1-N 3.34Å; D183-D185 VanDerWaalsContact OD1-N 3.17Å; D185-R188 PolarHBondContact O-N 3.27Å; D185-R188 IonicContact OD1-CZ 3.77Å; D185-R188 IonicContact OD1-NH1 2.74Å; D185-R188 PolarHBondContact OD1-NH1 3.5Å; D185-R188 IonicContact OD1-NH2 2.71Å; D185-R188 PolarHBondContact OD1-NH2 2.84Å; D185-R189 WeakPolarHBondContact O-CB 3.4Å; D185-R189 WeakPolarHBondContact O-CG 3.47Å; D185-R189 PolarHBondContact O-N 3.35Å; D185-R189 IonicContact OD1-NE 3.64Å; D185-R189 WeakPolarHBondContact OD2-CD 3.45Å; D185-R189 IonicContact OD2-CZ 3.73Å; D185-R189 VanDerWaalsContact OD2-CZ 3.29Å; D185-R189 IonicContact OD2-NE 2.77Å; D185-R189 PolarHBondContact OD2-NE 2.77Å; D185-R189 IonicContact OD2-NH2 2.82Å
186C90.9Very high90.5Very high3 Ų366.8 Ų66.82%0.0231%0.307CS..Hα-helixtrans-62.6-42.3173.9-65.60000111.6L182 D183 R188 R189 M190 V197L182-C186 HydrophobicContact CB-CB 3.99Å; L182-C186 HydrophobicContact CD2-CB 4.19Å; L182-C186 HydrophobicContact CG-CB 4.48Å; D183-C186 PolarHBondContact O-N 3.36Å; D183-C186 WeakPolarHBondContact OD1-CB 3.47Å; D183-C186 PolarHBondContact OD1-N 2.92Å; D183-C186 PolarHBondContact OD1-SG 3.35Å; C186-R188 VanDerWaalsContact C-N 3.32Å; C186-R188 PolarHBondContact O-N 2.86Å; C186-R189 PolarHBondContact O-N 3.06Å; C186-M190 WeakPolarHBondContact O-CB 3.34Å; C186-M190 PolarHBondContact O-N 3.24Å; C186-V197 HydrophobicContact CB-CG1 4.22Å; C186-V197 HydrophobicContact CB-CG2 4.46Å
187K92Very high90.3Very high56 Ų5662.3 Ų62.324%0.24329%0.286CS..Hα-helixtrans-59.8-40.4175.2-72.9176.4-173157.70112.4K179 L182 D183 E184K179-K187 HydrophobicContact CG-CG 4.47Å; K179-K187 WeakPolarHBondContact O-CE 3.44Å; L182-K187 HydrophobicContact CB-CG 3.81Å; L182-K187 WeakPolarHBondContact O-CE 3.4Å; D183-K187 WeakPolarHBondContact O-CG 3.24Å; D183-K187 PolarHBondContact O-N 2.94Å; E184-K187 IonicContact OE1-NZ 3.9Å; E184-K187 PolarHBondContact OE1-NZ 3.14Å
188R89.2Confident90.1Very high105 Ų10555.5 Ų55.540%0.39625%0.254SS..Hα-helixtrans-65.2-48.8175.8-171.5178.279.2-106.2-5.3110.8E184 D185 C186 M190 T192E184-R188 PolarHBondContact O-N 2.91Å; E184-R188 VanDerWaalsContact O-N 3.12Å; D185-R188 PolarHBondContact O-N 3.27Å; D185-R188 IonicContact OD1-CZ 3.77Å; D185-R188 IonicContact OD1-NH1 2.74Å; D185-R188 PolarHBondContact OD1-NH1 3.5Å; D185-R188 IonicContact OD1-NH2 2.71Å; D185-R188 PolarHBondContact OD1-NH2 2.84Å; C186-R188 VanDerWaalsContact C-N 3.32Å; C186-R188 PolarHBondContact O-N 2.86Å; R188-M190 VanDerWaalsContact C-N 3.32Å; R188-M190 PolarHBondContact O-N 3.32Å; R188-T192 PolarHBondContact O-OG1 3.33Å
189R89.6Confident89.8Confident41 Ų4156.3 Ų56.316%0.15526%0.26CS..Hα-helixtrans-67.4-29.5-177.5-71.6173.4-176.8-133.6-11.8113.2D51 D185 C186 Y191 T192 N193 P194 R196 V197D51-R189 VanDerWaalsContact CG-NH2 3.28Å; D51-R189 IonicContact OD1-NH2 3.44Å; D51-R189 PolarHBondContact OD1-NH2 3.29Å; D51-R189 VanDerWaalsContact OD1-NH2 3.15Å; D51-R189 IonicContact OD2-CZ 3.56Å; D51-R189 IonicContact OD2-NH1 3.65Å; D51-R189 IonicContact OD2-NH2 2.83Å; D51-R189 PolarHBondContact OD2-NH2 3.48Å; D185-R189 WeakPolarHBondContact O-CB 3.4Å; D185-R189 WeakPolarHBondContact O-CG 3.47Å; D185-R189 PolarHBondContact O-N 3.35Å; D185-R189 IonicContact OD1-NE 3.64Å; D185-R189 WeakPolarHBondContact OD2-CD 3.45Å; D185-R189 IonicContact OD2-CZ 3.73Å; D185-R189 VanDerWaalsContact OD2-CZ 3.29Å; D185-R189 IonicContact OD2-NE 2.77Å; D185-R189 PolarHBondContact OD2-NE 2.77Å; D185-R189 IonicContact OD2-NH2 2.82Å; C186-R189 PolarHBondContact O-N 3.06Å; R189-Y191 PolarHBondContact O-N 2.84Å; R189-Y191 VanDerWaalsContact O-N 3.1Å; R189-T192 PolarHBondContact O-N 3.12Å; R189-N193 CarbonylContact O-C 3.57Å; R189-N193 WeakPolarHBondContact O-CA 3.47Å; R189-N193 PolarHBondContact O-N 2.94Å; R189-P194 WeakPolarHBondContact O-CA 3.47Å; R189-R196 HydrophobicContact CB-CB 4.41Å; R189-R196 HydrophobicContact CG-CB 4.33Å; R189-V197 HydrophobicContact CB-CG2 4.01Å
190M91.4Very high89.6Confident0 Ų052.8 Ų52.80%025%0.247CC..Hα-helixtrans-50.9-36.7179.3-176.417470.800112.8V172 L175 E176 K179 L182 C186 R188 P194V172-M190 WeakPolarHBondContact CG2-O 3.47Å; L175-M190 HydrophobicContact CB-CG 3.77Å; L175-M190 HydrophobicContact CB-SD 3.37Å; L175-M190 WeakPolarHBondContact CB-SD 3.42Å; L175-M190 HydrophobicContact CD1-CB 4.34Å; L175-M190 HydrophobicContact CD1-CG 3.88Å; L175-M190 HydrophobicContact CD1-SD 4.5Å; E176-M190 HydrophobicContact CG-CE 4.14Å; E176-M190 HydrophobicContact CG-SD 4.18Å; K179-M190 HydrophobicContact CD-CE 4.29Å; K179-M190 HydrophobicContact CG-CE 4.42Å; L182-M190 HydrophobicContact CD1-SD 3.87Å; C186-M190 WeakPolarHBondContact O-CB 3.34Å; C186-M190 PolarHBondContact O-N 3.24Å; R188-M190 VanDerWaalsContact C-N 3.32Å; R188-M190 PolarHBondContact O-N 3.32Å; M190-P194 WeakPolarHBondContact O-CB 3.44Å
191Y89.6Confident89.3Confident125 Ų12551.3 Ų51.349%0.4924%0.237SC..Hα-helixtrans-98-24.9179.6-63.3-64.4000114.2V172 E176 R189V172-Y191 HydrophobicContact CG1-CE1 4.33Å; E176-Y191 VanDerWaalsContact OE1-CE1 3.23Å; E176-Y191 WeakPolarHBondContact OE1-CE1 3.49Å; E176-Y191 PolarHBondContact OE1-OH 3.24Å; R189-Y191 PolarHBondContact O-N 2.84Å; R189-Y191 VanDerWaalsContact O-N 3.1Å
192T87.9Confident89.2Confident77 Ų7747.5 Ų47.547%0.47222%0.223SC..Hα-helixtrans-94.5-43.6-176590000113R188 R189R188-T192 PolarHBondContact O-OG1 3.33Å; R189-T192 PolarHBondContact O-N 3.12Å
193N86.9Confident89.1Confident18 Ų1852.2 Ų52.210%0.09625%0.254CS..  trans-154.171.3-179.3-166.9-12.6000110.2V49 R189 L195 R196 D252V49-N193 HydrophobicContact CG2-CB 4.12Å; R189-N193 CarbonylContact O-C 3.57Å; R189-N193 WeakPolarHBondContact O-CA 3.47Å; R189-N193 PolarHBondContact O-N 2.94Å; N193-L195 VanDerWaalsContact C-N 3.26Å; N193-L195 PolarHBondContact O-N 3.42Å; N193-R196 HydrophobicContact CB-CG 3.8Å; N193-R196 WeakPolarHBondContact ND2-CG 3.34Å; N193-R196 PolarHBondContact ND2-NE 2.84Å; N193-R196 WeakPolarHBondContact O-CB 3.29Å; N193-R196 VanDerWaalsContact O-CG 3.25Å; N193-R196 WeakPolarHBondContact O-CG 3.48Å; N193-R196 PolarHBondContact O-N 3.25Å; N193-D252 VanDerWaalsContact ND2-CG 3.31Å; N193-D252 PolarHBondContact ND2-OD1 3.4Å; N193-D252 PolarHBondContact ND2-OD2 2.6Å; N193-D252 VanDerWaalsContact ND2-OD2 3.17Å
194P89.9Confident89.1Confident4 Ų456.4 Ų56.43%0.02627%0.272CS..G310 helixtrans-62.3-26.7-170.220-34.1000114.3R168 L171 V172 L175 R189 M190 R196 V197R168-P194 HydrophobicContact CG-CG 3.42Å; R168-P194 VanDerWaalsContact CG-CG 3.42Å; L171-P194 HydrophobicContact CD2-CB 4.17Å; L171-P194 WeakPolarHBondContact CD2-O 3.35Å; L171-P194 HydrophobicContact CG-CB 4.46Å; V172-P194 HydrophobicContact CG2-CB 3.89Å; V172-P194 HydrophobicContact CG2-CG 3.79Å; L175-P194 HydrophobicContact CD1-CB 4.48Å; R189-P194 WeakPolarHBondContact O-CA 3.47Å; M190-P194 WeakPolarHBondContact O-CB 3.44Å; P194-R196 PolarHBondContact O-N 3.06Å; P194-R196 VanDerWaalsContact O-N 3.13Å; P194-V197 VanDerWaalsContact O-CB 3.25Å; P194-V197 WeakPolarHBondContact O-CB 3.33Å; P194-V197 WeakPolarHBondContact O-CG2 3.41Å; P194-V197 PolarHBondContact O-N 3.12Å
195L89.3Confident89.1Confident14 Ų1450 Ų507%0.07324%0.242CC..G310 helixtrans-55.1-33.8173.8-67.7-173.1000111.6R164 Y167 L171 N193 V197 L198 L215 V248R164-L195 HydrophobicContact CG-CD1 3.8Å; Y167-L195 HydrophobicContact CD1-CD2 3.53Å; Y167-L195 HydrophobicContact CE1-CD2 3.59Å; L171-L195 HydrophobicContact CD2-CD2 4.31Å; N193-L195 VanDerWaalsContact C-N 3.26Å; N193-L195 PolarHBondContact O-N 3.42Å; L195-V197 PolarHBondContact O-N 3.21Å; L195-V197 VanDerWaalsContact O-N 3.12Å; L195-L198 HydrophobicContact CD2-CD1 4.31Å; L195-L198 VanDerWaalsContact O-CB 3.24Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 WeakPolarHBondContact O-CG 3.41Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-L215 HydrophobicContact CD2-CD1 4.42Å; L195-V248 HydrophobicContact CB-CB 4.33Å; L195-V248 HydrophobicContact CB-CG1 4.27Å; L195-V248 HydrophobicContact CB-CG2 4.36Å; L195-V248 WeakPolarHBondContact O-CG2 3.44Å
196R87.5Confident89.2Confident21 Ų2149.5 Ų49.58%0.07924%0.238CC..G310 helixtrans-61.4-20.9177.9-61.2-67.7-177.8177.3-4.6114.2R189 N193 P194 L198 D199 R249 G250 L251 D252R189-R196 HydrophobicContact CB-CB 4.41Å; R189-R196 HydrophobicContact CG-CB 4.33Å; N193-R196 HydrophobicContact CB-CG 3.8Å; N193-R196 WeakPolarHBondContact ND2-CG 3.34Å; N193-R196 PolarHBondContact ND2-NE 2.84Å; N193-R196 WeakPolarHBondContact O-CB 3.29Å; N193-R196 VanDerWaalsContact O-CG 3.25Å; N193-R196 WeakPolarHBondContact O-CG 3.48Å; N193-R196 PolarHBondContact O-N 3.25Å; P194-R196 PolarHBondContact O-N 3.06Å; P194-R196 VanDerWaalsContact O-N 3.13Å; R196-L198 PolarHBondContact O-N 2.6Å; R196-D199 PolarHBondContact O-N 3.23Å; R196-R249 PolarHBondContact NH1-O 3.22Å; R196-G250 VanDerWaalsContact CZ-C 3.43Å; R196-G250 VanDerWaalsContact CZ-O 3.28Å; R196-G250 PolarHBondContact NH1-O 3.26Å; R196-G250 VanDerWaalsContact NH1-O 3.12Å; R196-G250 PolarHBondContact NH2-O 3.42Å; R196-L251 VanDerWaalsContact NH2-N 3.16Å; R196-D252 IonicContact CZ-OD1 3.68Å; R196-D252 IonicContact NE-OD1 3.32Å; R196-D252 IonicContact NH2-OD1 2.71Å; R196-D252 PolarHBondContact NH2-OD1 3.1Å
197V90.9Very high89.2Confident1 Ų152 Ų521%0.00626%0.259CS..G310 helixtrans-66.5-32.2175.8-177.40000109.9L175 C186 R189 P194 L195 D199 S200 V205 L209L175-V197 HydrophobicContact CD1-CB 4.04Å; L175-V197 HydrophobicContact CD1-CG1 4.05Å; L175-V197 HydrophobicContact CD1-CG2 3.94Å; L175-V197 HydrophobicContact CD2-CG1 3.84Å; C186-V197 HydrophobicContact CB-CG1 4.22Å; C186-V197 HydrophobicContact CB-CG2 4.46Å; R189-V197 HydrophobicContact CB-CG2 4.01Å; P194-V197 VanDerWaalsContact O-CB 3.25Å; P194-V197 WeakPolarHBondContact O-CB 3.33Å; P194-V197 WeakPolarHBondContact O-CG2 3.41Å; P194-V197 PolarHBondContact O-N 3.12Å; L195-V197 PolarHBondContact O-N 3.21Å; L195-V197 VanDerWaalsContact O-N 3.12Å; V197-D199 PolarHBondContact O-N 3.2Å; V197-D199 VanDerWaalsContact O-N 3.16Å; V197-S200 VanDerWaalsContact O-CB 3.25Å; V197-S200 WeakPolarHBondContact O-CB 3.3Å; V197-S200 PolarHBondContact O-N 3.47Å; V197-V205 HydrophobicContact CG1-CG1 4.04Å; V197-L209 HydrophobicContact CG1-CD2 4.49Å; V197-L209 WeakPolarHBondContact O-CD1 3.41Å
198L90.5Very high89.1Confident4 Ų449.7 Ų49.72%0.02125%0.249CC..G310 helixtrans-59.8-27.5178.8-63172.4000113.6Y167 L171 L195 R196 Q206 L209 R246 V248Y167-L198 HydrophobicContact CE1-CD1 3.91Å; L171-L198 HydrophobicContact CD1-CD2 4.3Å; L171-L198 HydrophobicContact CD2-CD1 4.27Å; L171-L198 HydrophobicContact CD2-CD2 4.39Å; L171-L198 HydrophobicContact CD2-CG 4.11Å; L195-L198 HydrophobicContact CD2-CD1 4.31Å; L195-L198 VanDerWaalsContact O-CB 3.24Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 WeakPolarHBondContact O-CG 3.41Å; L195-L198 PolarHBondContact O-N 3.45Å; R196-L198 PolarHBondContact O-N 2.6Å; L198-Q206 PolarHBondContact O-NE2 3.01Å; L198-L209 HydrophobicContact CD2-CD2 3.91Å; L198-R246 HydrophobicContact CB-CB 4.31Å; L198-V248 HydrophobicContact CD1-CG1 3.71Å
199D86Confident89.2Confident69 Ų6945.1 Ų45.137%0.36923%0.233SC..G310 helixtrans-95.510.3179-169.330.2000113.5R196 V197 K201R196-D199 PolarHBondContact O-N 3.23Å; V197-D199 PolarHBondContact O-N 3.2Å; V197-D199 VanDerWaalsContact O-N 3.16Å; D199-K201 PolarHBondContact O-N 2.95Å; D199-K201 IonicContact OD1-NZ 3.34Å; D199-K201 PolarHBondContact OD1-NZ 3.28Å
200S87.6Confident89.2Confident16 Ų1648.5 Ų48.511%0.11225%0.254CS..  trans-56.9136.2179.8-179.60000111.6V197 N202 Q206V197-S200 VanDerWaalsContact O-CB 3.25Å; V197-S200 WeakPolarHBondContact O-CB 3.3Å; V197-S200 PolarHBondContact O-N 3.47Å; S200-N202 VanDerWaalsContact C-N 3.3Å; S200-N202 WeakPolarHBondContact OG-CB 3.33Å; S200-N202 PolarHBondContact OG-N 2.97Å; S200-Q206 VanDerWaalsContact O-CG 3.29Å; S200-Q206 WeakPolarHBondContact O-CG 3.31Å; S200-Q206 PolarHBondContact O-NE2 3Å
201K84.7Confident89.2Confident160 Ų16054.6 Ų54.670%0.69629%0.286SS*.  trans-89.21.9175.3-54.5-49.9-177.9-157.30113.1D199 P203D199-K201 PolarHBondContact O-N 2.95Å; D199-K201 IonicContact OD1-NZ 3.34Å; D199-K201 PolarHBondContact OD1-NZ 3.28Å; K201-P203 WeakPolarHBondContact O-CD 3.49Å
202N88.2Confident89.3Confident40 Ų4049.4 Ų49.421%0.21427%0.269CS..  trans-73.4120.6177.4-178.4-19.4000110D183 S200 E204 V205 Q206D183-N202 WeakPolarHBondContact OD2-CB 3.3Å; D183-N202 PolarHBondContact OD2-ND2 3.21Å; S200-N202 VanDerWaalsContact C-N 3.3Å; S200-N202 WeakPolarHBondContact OG-CB 3.33Å; S200-N202 PolarHBondContact OG-N 2.97Å; N202-E204 VanDerWaalsContact C-N 3.28Å; N202-E204 PolarHBondContact O-N 2.64Å; N202-E204 PolarHBondContact OD1-N 2.76Å; N202-V205 HydrophobicContact CB-CB 4.02Å; N202-V205 HydrophobicContact CB-CG2 3.83Å; N202-V205 PolarHBondContact O-N 3.04Å; N202-Q206 WeakPolarHBondContact O-CG 3.3Å; N202-Q206 PolarHBondContact O-N 2.87Å
203P89Confident89.4Confident105 Ų10547.3 Ų47.368%0.68226%0.257SS*.Hα-helixtrans-57.9-35.4-179.6-25.835.4000114.4K201 Q206 A207K201-P203 WeakPolarHBondContact O-CD 3.49Å; P203-Q206 PolarHBondContact O-N 2.78Å; P203-A207 WeakPolarHBondContact O-CB 3.42Å; P203-A207 PolarHBondContact O-N 2.81Å
204E89.9Confident89.5Confident135 Ų13548.3 Ų48.363%0.63127%0.268SS*.Hα-helixtrans-68.8-41.7179-65-177.7177.500111N202 A207 L208N202-E204 VanDerWaalsContact C-N 3.28Å; N202-E204 PolarHBondContact O-N 2.64Å; N202-E204 PolarHBondContact OD1-N 2.76Å; E204-A207 PolarHBondContact O-N 2.98Å; E204-L208 WeakPolarHBondContact O-CB 3.06Å; E204-L208 PolarHBondContact O-N 2.69Å
205V91.1Very high89.4Confident0 Ų048.4 Ų48.40%027%0.268CS..Hα-helixtrans-67.2-42.3174.8-179.30000110.3L182 V197 N202 A207 L208 L209L182-V205 HydrophobicContact CD2-CG1 4.25Å; L182-V205 HydrophobicContact CD2-CG2 4.23Å; V197-V205 HydrophobicContact CG1-CG1 4.04Å; N202-V205 HydrophobicContact CB-CB 4.02Å; N202-V205 HydrophobicContact CB-CG2 3.83Å; N202-V205 PolarHBondContact O-N 3.04Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 PolarHBondContact O-N 3.25Å; V205-L208 WeakPolarHBondContact O-CB 3.16Å; V205-L208 PolarHBondContact O-N 2.69Å; V205-L209 HydrophobicContact CG1-CD1 3.92Å; V205-L209 HydrophobicContact CG1-CG 4.18Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 2.85Å
206Q91.1Very high89.4Confident46 Ų4648.6 Ų48.622%0.21527%0.273CS..Hα-helixtrans-61.2-38.7176.2-79-69.5-3100112.6L198 S200 N202 P203 L209 N210 R246L198-Q206 PolarHBondContact O-NE2 3.01Å; S200-Q206 VanDerWaalsContact O-CG 3.29Å; S200-Q206 WeakPolarHBondContact O-CG 3.31Å; S200-Q206 PolarHBondContact O-NE2 3Å; N202-Q206 WeakPolarHBondContact O-CG 3.3Å; N202-Q206 PolarHBondContact O-N 2.87Å; P203-Q206 PolarHBondContact O-N 2.78Å; Q206-L209 PolarHBondContact O-N 3.09Å; Q206-N210 PolarHBondContact O-OD1 2.84Å; Q206-R246 VanDerWaalsContact OE1-CZ 3.27Å
207A90Very high89.6Confident56 Ų5653.6 Ų53.646%0.46330%0.302SS..Hα-helixtrans-65.7-44.9174.400000111.5P203 E204 V205 L209 N210P203-A207 WeakPolarHBondContact O-CB 3.42Å; P203-A207 PolarHBondContact O-N 2.81Å; E204-A207 PolarHBondContact O-N 2.98Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 PolarHBondContact O-N 3.25Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.42Å; A207-N210 WeakPolarHBondContact O-CB 3.15Å; A207-N210 PolarHBondContact O-N 2.86Å; A207-N210 PolarHBondContact O-ND2 3.23Å
208L91.4Very high89.7Confident7 Ų757.7 Ų57.74%0.03732%0.317CS..Hα-helixtrans-59.2-41.9175.7172.166.9000112.2F174 H178 K181 L182 E204 V205 N210 D211F174-L208 HydrophobicContact CE1-CD1 4.15Å; F174-L208 HydrophobicContact CE1-CG 4.06Å; F174-L208 HydrophobicContact CZ-CD1 3.88Å; F174-L208 HydrophobicContact CZ-CG 4.23Å; H178-L208 HydrophobicContact CB-CD1 3.62Å; H178-L208 HydrophobicContact CB-CD2 3.63Å; H178-L208 HydrophobicContact CB-CG 4.24Å; H178-L208 VanDerWaalsContact CG-CD1 3.42Å; K181-L208 HydrophobicContact CB-CD2 4.35Å; K181-L208 HydrophobicContact CD-CD1 4.41Å; L182-L208 HydrophobicContact CD2-CD2 3.79Å; E204-L208 WeakPolarHBondContact O-CB 3.06Å; E204-L208 PolarHBondContact O-N 2.69Å; V205-L208 WeakPolarHBondContact O-CB 3.16Å; V205-L208 PolarHBondContact O-N 2.69Å; L208-N210 PolarHBondContact O-N 3.17Å; L208-N210 VanDerWaalsContact O-N 3.16Å; L208-D211 PolarHBondContact O-N 3.1Å; L208-D211 VanDerWaalsContact O-N 3.09Å
209L91.2Very high89.8Confident9 Ų958.4 Ų58.45%0.04732%0.321CS..G310 helixtrans-68.1-11-177.5-72.7172.5000114.1L175 V197 L198 V205 Q206 A207 D211 A212L175-L209 HydrophobicContact CD2-CD2 4.41Å; V197-L209 HydrophobicContact CG1-CD2 4.49Å; V197-L209 WeakPolarHBondContact O-CD1 3.41Å; L198-L209 HydrophobicContact CD2-CD2 3.91Å; V205-L209 HydrophobicContact CG1-CD1 3.92Å; V205-L209 HydrophobicContact CG1-CG 4.18Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 2.85Å; Q206-L209 PolarHBondContact O-N 3.09Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.42Å; L209-D211 PolarHBondContact O-N 2.69Å; L209-A212 HydrophobicContact CD2-CB 4.06Å; L209-A212 WeakPolarHBondContact O-CB 3.41Å; L209-A212 PolarHBondContact O-N 2.74Å
210N90.1Very high90.2Very high112 Ų11257 Ų5760%0.59931%0.314SS*.G310 helixtrans-66.9-24.7171.2-62.8-34000111.9Q206 A207 L208 R246Q206-N210 PolarHBondContact O-OD1 2.84Å; A207-N210 WeakPolarHBondContact O-CB 3.15Å; A207-N210 PolarHBondContact O-N 2.86Å; A207-N210 PolarHBondContact O-ND2 3.23Å; L208-N210 PolarHBondContact O-N 3.17Å; L208-N210 VanDerWaalsContact O-N 3.16Å; N210-R246 PolarHBondContact OD1-NH1 2.8Å; N210-R246 VanDerWaalsContact OD1-NH1 3.16Å
211D90.6Very high90.6Very high127 Ų12761.2 Ų61.268%0.67933%0.331SS*.G310 helixtrans-96.40.3177.6-57.2-43.9000112.4F174 L208 L209F174-D211 HydrophobicContact CE2-CB 4.19Å; F174-D211 WeakPolarHBondContact CE2-O 3.27Å; F174-D211 HydrophobicContact CZ-CB 4.07Å; L208-D211 PolarHBondContact O-N 3.1Å; L208-D211 VanDerWaalsContact O-N 3.09Å; L209-D211 PolarHBondContact O-N 2.69Å
212A91.1Very high91.2Very high17 Ų1759.5 Ų59.514%0.1433%0.326CS..SBendtrans-71.4152.9179.900000111.3L171 F174 L209 A214L171-A212 HydrophobicContact CD1-CB 4.46Å; F174-A212 HydrophobicContact CD1-CB 3.85Å; F174-A212 HydrophobicContact CE1-CB 3.62Å; F174-A212 HydrophobicContact CG-CB 4.48Å; F174-A212 HydrophobicContact CZ-CB 4.07Å; L209-A212 HydrophobicContact CD2-CB 4.06Å; L209-A212 WeakPolarHBondContact O-CB 3.41Å; L209-A212 PolarHBondContact O-N 2.74Å; A212-A214 PolarHBondContact O-N 2.82Å
213P90.8Very high91.5Very high33 Ų3357.6 Ų57.621%0.21432%0.316CS..PPolyproline II helixtrans-52.3134.2172-24.232.8000111.1Y167 A170 F174 Y218Y167-P213 HydrophobicContact CE2-CB 4.16Å; Y167-P213 WeakPolarHBondContact CE2-O 3.23Å; Y167-P213 PolarHBondContact OH-O 3.32Å; A170-P213 HydrophobicContact CB-CG 4.46Å; F174-P213 HydrophobicContact CB-CG 4.32Å; P213-Y218 HydrophobicContact CB-CE2 3.84Å
214A88.9Confident91.9Very high39 Ų3957.5 Ų57.532%0.32230%0.302SS..PPolyproline II helixtrans-76128.8178.800000109.8A212 G216 D217 Y218A212-A214 PolarHBondContact O-N 2.82Å; A214-G216 PolarHBondContact O-N 2.81Å; A214-D217 PolarHBondContact O-N 2.95Å; A214-D217 VanDerWaalsContact O-N 3.13Å; A214-Y218 WeakPolarHBondContact O-CD2 3.31Å
215L88.2Confident92.3Very high6 Ų656.9 Ų56.93%0.03130%0.299CS..G310 helixtrans-60.2-37.2-177.8-168.8154.5000111.8S157 I158 Y167 L195 D217 Y218 L219 V248S157-L215 WeakPolarHBondContact O-CD2 3.45Å; I158-L215 HydrophobicContact CB-CD1 4.49Å; I158-L215 HydrophobicContact CG2-CD1 4.12Å; Y167-L215 HydrophobicContact CD1-CB 4.32Å; Y167-L215 HydrophobicContact CD1-CD1 3.67Å; Y167-L215 HydrophobicContact CD1-CG 3.8Å; Y167-L215 HydrophobicContact CD2-CB 4.29Å; Y167-L215 HydrophobicContact CD2-CG 4.33Å; Y167-L215 HydrophobicContact CE1-CB 3.99Å; Y167-L215 HydrophobicContact CE1-CD1 3.62Å; Y167-L215 HydrophobicContact CE1-CG 3.9Å; Y167-L215 HydrophobicContact CE2-CB 3.95Å; Y167-L215 HydrophobicContact CE2-CG 4.39Å; Y167-L215 HydrophobicContact CG-CB 4.45Å; Y167-L215 HydrophobicContact CG-CD1 4.39Å; Y167-L215 HydrophobicContact CG-CG 4.02Å; L195-L215 HydrophobicContact CD2-CD1 4.42Å; L215-D217 PolarHBondContact O-N 3.49Å; L215-D217 VanDerWaalsContact O-N 3.13Å; L215-Y218 PolarHBondContact O-N 3.15Å; L215-L219 HydrophobicContact CD2-CD2 3.93Å; L215-V248 HydrophobicContact CD1-CG1 4.42Å
216G88.3Confident92.6Very high17 Ų1757.5 Ų57.518%0.17530%0.302CS..G310 helixtrans-52.6-30.9176.100000115A214 Y218 L219A214-G216 PolarHBondContact O-N 2.81Å; G216-Y218 PolarHBondContact O-N 3.17Å; G216-L219 WeakPolarHBondContact O-CG 3.37Å
217D91.6Very high92.9Very high127 Ų12756.6 Ų56.668%0.67930%0.297SS*.G310 helixtrans-74.3-16.6-178.7-62.3-22.1000112.7A214 L215A214-D217 PolarHBondContact O-N 2.95Å; A214-D217 VanDerWaalsContact O-N 3.13Å; L215-D217 PolarHBondContact O-N 3.49Å; L215-D217 VanDerWaalsContact O-N 3.13Å
218Y92.9Very high93.3Very high86 Ų8656.8 Ų56.834%0.33730%0.299SS..G310 helixtrans-103.50.1-177.3-70.7-101.2000113.3A163 N166 Y167 A170 P213 A214 L215 G216A163-Y218 WeakPolarHBondContact CB-O 3.34Å; N166-Y218 HydrophobicContact CB-CD1 4.34Å; Y167-Y218 AromaticContact CD2-CD2 3.57Å; Y167-Y218 HydrophobicContact CD2-CD2 3.57Å; Y167-Y218 HydrophobicContact CD2-CE2 4.05Å; Y167-Y218 AromaticContact CD2-CG 3.83Å; Y167-Y218 HydrophobicContact CD2-CG 3.83Å; Y167-Y218 HydrophobicContact CE2-CD2 4.27Å; Y167-Y218 HydrophobicContact CG-CG 4.42Å; A170-Y218 HydrophobicContact CB-CE1 3.62Å; A170-Y218 HydrophobicContact CB-CE2 4.38Å; A170-Y218 VanDerWaalsContact CB-CZ 3.49Å; A170-Y218 WeakPolarHBondContact CB-OH 3.49Å; P213-Y218 HydrophobicContact CB-CE2 3.84Å; A214-Y218 WeakPolarHBondContact O-CD2 3.31Å; L215-Y218 PolarHBondContact O-N 3.15Å; G216-Y218 PolarHBondContact O-N 3.17Å
219L93.6Very high93.6Very high19 Ų1957.5 Ų57.510%0.09931%0.308CS..  trans-61143177.8-64.2178.8000110.8G159 L215 G216 R224G159-L219 VanDerWaalsContact CA-CD2 3.45Å; L215-L219 HydrophobicContact CD2-CD2 3.93Å; G216-L219 WeakPolarHBondContact O-CG 3.37Å; L219-R224 HydrophobicContact CB-CG 3.76Å; L219-R224 HydrophobicContact CD1-CG 4.19Å; L219-R224 PolarHBondContact O-NH1 3.02Å
220D94.7Very high94Very high40 Ų4057.1 Ų57.121%0.21431%0.306CS..  trans-70.9161.8162.852.786.2000110.7S160 A163 E222 S223 R224S160-D220 WeakPolarHBondContact CB-OD2 3.36Å; S160-D220 PolarHBondContact N-OD2 2.9Å; S160-D220 VanDerWaalsContact N-OD2 3.08Å; S160-D220 PolarHBondContact OG-OD2 2.86Å; A163-D220 HydrophobicContact CB-CB 4.41Å; A163-D220 WeakPolarHBondContact CB-OD2 3.41Å; D220-E222 VanDerWaalsContact C-N 3.33Å; D220-E222 PolarHBondContact O-N 2.9Å; D220-S223 PolarHBondContact O-N 3.14Å; D220-S223 VanDerWaalsContact OD1-CB 3.23Å; D220-S223 WeakPolarHBondContact OD1-CB 3.35Å; D220-S223 PolarHBondContact OD1-N 3.33Å; D220-S223 PolarHBondContact OD1-OG 3.14Å; D220-S223 PolarHBondContact OD2-OG 2.87Å; D220-R224 PolarHBondContact O-N 3.19Å
221E96Very high94.4Very high104 Ų10452.4 Ų52.449%0.48628%0.282SS..Hα-helixtrans-59.2-43.8-177.2-170.759.8-153.800111.9S223 R224 E225E221-S223 VanDerWaalsContact C-N 3.3Å; E221-S223 PolarHBondContact O-N 3.24Å; E221-R224 WeakPolarHBondContact O-CB 3.37Å; E221-R224 PolarHBondContact O-N 3.15Å; E221-R224 VanDerWaalsContact O-N 3.12Å; E221-R224 IonicContact OE2-CZ 2.81Å; E221-R224 VanDerWaalsContact OE2-CZ 3.27Å; E221-R224 IonicContact OE2-NE 3.29Å; E221-R224 PolarHBondContact OE2-NE 2.98Å; E221-R224 IonicContact OE2-NH2 3.14Å; E221-R224 PolarHBondContact OE2-NH2 3.25Å; E221-E225 HydrophobicContact CG-CG 4.43Å; E221-E225 WeakPolarHBondContact O-CG 3.47Å; E221-E225 PolarHBondContact O-N 2.97Å
222E95.7Very high94.7Very high125 Ų12553.2 Ų53.258%0.58428%0.279SS*.Hα-helixtrans-60.4-40.7178.5-60.8-174.2179.800112D220 E225 H226 R256D220-E222 VanDerWaalsContact C-N 3.33Å; D220-E222 PolarHBondContact O-N 2.9Å; E222-E225 PolarHBondContact O-N 3.09Å; E222-H226 WeakPolarHBondContact O-CB 3.28Å; E222-H226 PolarHBondContact O-N 3.3Å; E222-R256 IonicContact OE2-NH2 2.82Å; E222-R256 PolarHBondContact OE2-NH2 2.86Å
223S96Very high95.1Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-69.5-32.5177.4-62.80000112.6S160 D220 E221 F227S160-S223 PolarHBondContact N-OG 3.45Å; D220-S223 PolarHBondContact O-N 3.14Å; D220-S223 VanDerWaalsContact OD1-CB 3.23Å; D220-S223 WeakPolarHBondContact OD1-CB 3.35Å; D220-S223 PolarHBondContact OD1-N 3.33Å; D220-S223 PolarHBondContact OD1-OG 3.14Å; D220-S223 PolarHBondContact OD2-OG 2.87Å; E221-S223 VanDerWaalsContact C-N 3.3Å; E221-S223 PolarHBondContact O-N 3.24Å; S223-F227 VanDerWaalsContact O-CB 3.31Å; S223-F227 WeakPolarHBondContact O-CB 3.47Å; S223-F227 PolarHBondContact O-N 2.77Å; S223-F227 VanDerWaalsContact O-N 3.1Å
224R96.3Very high95.5Very high102 Ų10253.8 Ų53.839%0.38528%0.278SS..Hα-helixtrans-67.5-49.2171.5-78.2-167.5-73.3-85.6-7.5111.6L219 D220 E221 H226 F227 A228L219-R224 HydrophobicContact CB-CG 3.76Å; L219-R224 HydrophobicContact CD1-CG 4.19Å; L219-R224 PolarHBondContact O-NH1 3.02Å; D220-R224 PolarHBondContact O-N 3.19Å; E221-R224 WeakPolarHBondContact O-CB 3.37Å; E221-R224 PolarHBondContact O-N 3.15Å; E221-R224 VanDerWaalsContact O-N 3.12Å; E221-R224 IonicContact OE2-CZ 2.81Å; E221-R224 VanDerWaalsContact OE2-CZ 3.27Å; E221-R224 IonicContact OE2-NE 3.29Å; E221-R224 PolarHBondContact OE2-NE 2.98Å; E221-R224 IonicContact OE2-NH2 3.14Å; E221-R224 PolarHBondContact OE2-NH2 3.25Å; R224-H226 VanDerWaalsContact C-N 3.33Å; R224-H226 PolarHBondContact O-N 3.4Å; R224-F227 PolarHBondContact O-N 2.91Å; R224-A228 WeakPolarHBondContact O-CB 3.43Å; R224-A228 PolarHBondContact O-N 3.41Å
225E97.8Very high95.9Very high123 Ų12357.7 Ų57.758%0.57529%0.289SS*.Hα-helixtrans-61-43.8179.1-72.6-176.5164.500111.4E221 E222 A228 G229E221-E225 HydrophobicContact CG-CG 4.43Å; E221-E225 WeakPolarHBondContact O-CG 3.47Å; E221-E225 PolarHBondContact O-N 2.97Å; E222-E225 PolarHBondContact O-N 3.09Å; E225-A228 PolarHBondContact O-N 3.24Å; E225-G229 PolarHBondContact O-N 2.97Å
226H97.9Very high96.3Very high12 Ų1262 Ų626%0.05632%0.32CS..Hα-helixtrans-60.2-48.7176.3-172.1-76.3000111.3Q126 P128 D131 E222 R224 A228 G229 L230 R277Q126-H226 PolarHBondContact O-NE2 2.99Å; P128-H226 WeakPolarHBondContact CA-NE2 3.47Å; P128-H226 VanDerWaalsContact CB-O 3.29Å; P128-H226 WeakPolarHBondContact CB-O 3.47Å; D131-H226 IonicContact OD1-CE1 2.67Å; D131-H226 IonicContact OD1-NE2 3.27Å; D131-H226 IonicContact OD2-CE1 3.23Å; D131-H226 PolarHBondContact OD2-CE1 2.65Å; D131-H226 VanDerWaalsContact OD2-CE1 3.29Å; E222-H226 WeakPolarHBondContact O-CB 3.28Å; E222-H226 PolarHBondContact O-N 3.3Å; R224-H226 VanDerWaalsContact C-N 3.33Å; R224-H226 PolarHBondContact O-N 3.4Å; H226-A228 PolarHBondContact O-N 3.47Å; H226-G229 PolarHBondContact O-N 3.17Å; H226-L230 PolarHBondContact O-N 2.89Å; H226-R277 PolarHBondContact CE1-NE 3.11Å; H226-R277 VanDerWaalsContact CE1-NE 3.34Å; H226-R277 PolarHBondContact NE2-NE 2.93Å; H226-R277 VanDerWaalsContact NE2-NE 3.18Å
227F97.9Very high96.7Very high28 Ų2863.5 Ų63.512%0.12333%0.331CS..Hα-helixtrans-63.6-42.2178.7-170.2-111.3000113L155 N156 S223 R224 G229 L230 C231 V243L155-F227 HydrophobicContact CD2-CE2 3.8Å; L155-F227 HydrophobicContact CD2-CZ 4.07Å; L155-F227 HydrophobicContact CG-CE2 3.72Å; L155-F227 HydrophobicContact CG-CZ 4.14Å; N156-F227 VanDerWaalsContact C-CE2 3.42Å; S223-F227 VanDerWaalsContact O-CB 3.31Å; S223-F227 WeakPolarHBondContact O-CB 3.47Å; S223-F227 PolarHBondContact O-N 2.77Å; S223-F227 VanDerWaalsContact O-N 3.1Å; R224-F227 PolarHBondContact O-N 2.91Å; F227-G229 VanDerWaalsContact C-N 3.34Å; F227-L230 PolarHBondContact O-N 3.49Å; F227-C231 WeakPolarHBondContact O-CB 3.36Å; F227-C231 PolarHBondContact O-N 2.75Å; F227-C231 PolarHBondContact O-SG 2.83Å; F227-V243 HydrophobicContact CE1-CG1 4.37Å; F227-V243 HydrophobicContact CE1-CG2 4.29Å; F227-V243 HydrophobicContact CZ-CG1 4.13Å; F227-V243 HydrophobicContact CZ-CG2 4.11Å
228A98Very high96.9Very high59 Ų5960.7 Ų60.749%0.48833%0.332SS..Hα-helixtrans-63.4-40.6175.600000111.7R224 E225 H226 C231 K232R224-A228 WeakPolarHBondContact O-CB 3.43Å; R224-A228 PolarHBondContact O-N 3.41Å; E225-A228 PolarHBondContact O-N 3.24Å; H226-A228 PolarHBondContact O-N 3.47Å; A228-C231 PolarHBondContact O-N 3.49Å; A228-K232 WeakPolarHBondContact O-CB 3.49Å; A228-K232 PolarHBondContact O-N 3.27Å
229G98.4Very high97.1Very high23 Ų2357.5 Ų57.524%0.23732%0.321CS..Hα-helixtrans-59.8-44.3173.500000112.4E225 H226 F227 K232 L233E225-G229 PolarHBondContact O-N 2.97Å; H226-G229 PolarHBondContact O-N 3.17Å; F227-G229 VanDerWaalsContact C-N 3.34Å; G229-K232 PolarHBondContact O-N 2.75Å; G229-L233 VanDerWaalsContact O-CG 3.32Å; G229-L233 WeakPolarHBondContact O-CG 3.45Å; G229-L233 PolarHBondContact O-N 2.79Å; G229-L233 VanDerWaalsContact O-N 3.11Å
230L98.5Very high97.2Very high0 Ų060.8 Ų60.80%035%0.35CS..Hα-helixtrans-61.6-51.3175.8174.956.1000111.4P128 D131 A132 I135 L155 H226 F227 K232 L233 L234 T257P128-L230 HydrophobicContact CB-CB 3.93Å; D131-L230 HydrophobicContact CB-CD1 3.92Å; D131-L230 HydrophobicContact CB-CD2 4.12Å; A132-L230 HydrophobicContact CB-CD1 3.7Å; I135-L230 HydrophobicContact CD1-CD1 4.3Å; L155-L230 HydrophobicContact CD1-CD2 3.91Å; L155-L230 HydrophobicContact CD2-CD2 4.12Å; L155-L230 HydrophobicContact CD2-CG 4.32Å; H226-L230 PolarHBondContact O-N 2.89Å; F227-L230 PolarHBondContact O-N 3.49Å; L230-K232 VanDerWaalsContact C-N 3.31Å; L230-K232 PolarHBondContact O-N 2.81Å; L230-L233 PolarHBondContact O-N 3.5Å; L230-L233 VanDerWaalsContact O-N 3.11Å; L230-L234 HydrophobicContact CD1-CD1 4.02Å; L230-L234 HydrophobicContact CD1-CD2 4.38Å; L230-L234 HydrophobicContact CD1-CG 3.96Å; L230-L234 HydrophobicContact CG-CD1 4.14Å; L230-L234 HydrophobicContact CG-CG 4.47Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.84Å; L230-T257 HydrophobicContact CD2-CG2 3.46Å; L230-T257 VanDerWaalsContact CD2-CG2 3.46Å
231C98.4Very high97.4Very high13 Ų1361.4 Ų61.49%0.08835%0.35CS..Hα-helixtrans-53.8-48178.6-70.90000111.6F227 A228 L233 L234 E235 Y241F227-C231 WeakPolarHBondContact O-CB 3.36Å; F227-C231 PolarHBondContact O-N 2.75Å; F227-C231 PolarHBondContact O-SG 2.83Å; A228-C231 PolarHBondContact O-N 3.49Å; C231-L233 VanDerWaalsContact C-N 3.34Å; C231-L233 PolarHBondContact O-N 3.4Å; C231-L234 PolarHBondContact O-N 3.31Å; C231-E235 WeakPolarHBondContact O-CG 3.2Å; C231-E235 PolarHBondContact O-N 3.07Å; C231-Y241 VanDerWaalsContact CB-OH 3.24Å; C231-Y241 WeakPolarHBondContact CB-OH 3.29Å
232K98.5Very high97.4Very high144 Ų14460.3 Ų60.363%0.62635%0.35SS*.Hα-helixtrans-60-40.4177.5-177.8-179.9178.5-178.70113.1A228 G229 L230 S236A228-K232 WeakPolarHBondContact O-CB 3.49Å; A228-K232 PolarHBondContact O-N 3.27Å; G229-K232 PolarHBondContact O-N 2.75Å; L230-K232 VanDerWaalsContact C-N 3.31Å; L230-K232 PolarHBondContact O-N 2.81Å; K232-S236 WeakPolarHBondContact O-CB 3.4Å; K232-S236 PolarHBondContact O-N 3.09Å; K232-S236 PolarHBondContact O-OG 2.88Å
233L98.5Very high97.4Very high63 Ų6357.2 Ų57.233%0.3334%0.34SS..Hα-helixtrans-68.6-40.3178-72.7168.3000111.7D129 A132 G229 L230 C231 S236 A237D129-L233 HydrophobicContact CB-CD1 4.08Å; A132-L233 HydrophobicContact CB-CB 3.84Å; A132-L233 HydrophobicContact CB-CD1 4.01Å; G229-L233 VanDerWaalsContact O-CG 3.32Å; G229-L233 WeakPolarHBondContact O-CG 3.45Å; G229-L233 PolarHBondContact O-N 2.79Å; G229-L233 VanDerWaalsContact O-N 3.11Å; L230-L233 PolarHBondContact O-N 3.5Å; L230-L233 VanDerWaalsContact O-N 3.11Å; C231-L233 VanDerWaalsContact C-N 3.34Å; C231-L233 PolarHBondContact O-N 3.4Å; L233-S236 PolarHBondContact O-N 3.47Å; L233-A237 WeakPolarHBondContact O-CB 3.43Å; L233-A237 PolarHBondContact O-N 3.48Å
234L98.4Very high97.2Very high0 Ų059.1 Ų59.10%035%0.35CS..Hα-helixtrans-66.2-41.9176.5-65.5179.9000111.9A132 I135 L153 L155 L230 C231 A237 G238 I239 Y241A132-L234 HydrophobicContact CB-CD2 4.32Å; I135-L234 HydrophobicContact CB-CD2 3.95Å; I135-L234 HydrophobicContact CD1-CD1 4.03Å; I135-L234 HydrophobicContact CD1-CD2 4.35Å; I135-L234 HydrophobicContact CG2-CD1 4.42Å; I135-L234 HydrophobicContact CG2-CD2 3.55Å; L153-L234 HydrophobicContact CD2-CD1 4.18Å; L155-L234 HydrophobicContact CD2-CD1 3.95Å; L230-L234 HydrophobicContact CD1-CD1 4.02Å; L230-L234 HydrophobicContact CD1-CD2 4.38Å; L230-L234 HydrophobicContact CD1-CG 3.96Å; L230-L234 HydrophobicContact CG-CD1 4.14Å; L230-L234 HydrophobicContact CG-CG 4.47Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.84Å; C231-L234 PolarHBondContact O-N 3.31Å; L234-A237 CarbonylContact O-C 3.59Å; L234-A237 PolarHBondContact O-N 3.07Å; L234-G238 PolarHBondContact O-N 3.45Å; L234-G238 VanDerWaalsContact O-N 3.13Å; L234-I239 HydrophobicContact CB-CB 4.39Å; L234-I239 HydrophobicContact CD2-CB 4.4Å; L234-I239 HydrophobicContact CD2-CD1 4.15Å; L234-I239 HydrophobicContact CD2-CG2 4.47Å; L234-I239 PolarHBondContact O-N 2.65Å; L234-Y241 HydrophobicContact CB-CD1 4.18Å; L234-Y241 HydrophobicContact CB-CE1 4.21Å; L234-Y241 HydrophobicContact CD1-CD1 4.23Å
235E97.8Very high96.9Very high120 Ų12057.6 Ų57.656%0.56135%0.348SS*.Hα-helixtrans-59.8-46.3173.2-74.9163.5-158.700111.4C231 A237 G238 Y241C231-E235 WeakPolarHBondContact O-CG 3.2Å; C231-E235 PolarHBondContact O-N 3.07Å; E235-A237 PolarHBondContact O-N 3.29Å; E235-G238 PolarHBondContact O-N 3.08Å; E235-Y241 HydrophobicContact CG-CE1 4.12Å; E235-Y241 PolarHBondContact OE1-OH 2.9Å
236S97.5Very high96.5Very high98 Ų9855.7 Ų55.769%0.68534%0.335SS*.Hα-helixtrans-62.2-31.3177.3-58.80000112.4K232 L233 G238K232-S236 WeakPolarHBondContact O-CB 3.4Å; K232-S236 PolarHBondContact O-N 3.09Å; K232-S236 PolarHBondContact O-OG 2.88Å; L233-S236 PolarHBondContact O-N 3.47Å; S236-G238 VanDerWaalsContact C-N 3.32Å
237A95.8Very high96.2Very high47 Ų4755.5 Ų55.539%0.38833%0.334SS..THydrogen-bonded Turntrans-84.5-1.4175.600000113.9M136 L233 L234 E235 I239M136-A237 HydrophobicContact CE-CB 3.47Å; M136-A237 VanDerWaalsContact CE-CB 3.47Å; M136-A237 HydrophobicContact CG-CB 4.3Å; M136-A237 HydrophobicContact SD-CB 3.98Å; L233-A237 WeakPolarHBondContact O-CB 3.43Å; L233-A237 PolarHBondContact O-N 3.48Å; L234-A237 CarbonylContact O-C 3.59Å; L234-A237 PolarHBondContact O-N 3.07Å; E235-A237 PolarHBondContact O-N 3.29Å; A237-I239 VanDerWaalsContact C-N 3.32Å; A237-I239 HydrophobicContact CB-CD1 4.38Å; A237-I239 HydrophobicContact CB-CG1 4.29Å; A237-I239 PolarHBondContact O-N 3.03Å
238G96.6Very high95.7Very high69 Ų6954.7 Ų54.771%0.71133%0.332SS*.THydrogen-bonded Turntrans68.727.1-17800000113.9L234 E235 S236L234-G238 PolarHBondContact O-N 3.45Å; L234-G238 VanDerWaalsContact O-N 3.13Å; E235-G238 PolarHBondContact O-N 3.08Å; S236-G238 VanDerWaalsContact C-N 3.32Å
239I96.7Very high95.1Very high19 Ų1954 Ų5410%0.09732%0.317CS..  trans-93.4112.4177.2-63.2-179.7000108.9I135 M136 A139 L153 L234 A237 W261I135-I239 HydrophobicContact CG2-CD1 4.26Å; I135-I239 HydrophobicContact CG2-CG2 4.28Å; M136-I239 HydrophobicContact CB-CD1 4.25Å; M136-I239 HydrophobicContact CG-CD1 3.61Å; A139-I239 HydrophobicContact CB-CD1 3.91Å; A139-I239 HydrophobicContact CB-CG1 4.48Å; L153-I239 HydrophobicContact CD2-CG2 3.85Å; L234-I239 HydrophobicContact CB-CB 4.39Å; L234-I239 HydrophobicContact CD2-CB 4.4Å; L234-I239 HydrophobicContact CD2-CD1 4.15Å; L234-I239 HydrophobicContact CD2-CG2 4.47Å; L234-I239 PolarHBondContact O-N 2.65Å; A237-I239 VanDerWaalsContact C-N 3.32Å; A237-I239 HydrophobicContact CB-CD1 4.38Å; A237-I239 HydrophobicContact CB-CG1 4.29Å; A237-I239 PolarHBondContact O-N 3.03Å; I239-W261 HydrophobicContact CG2-CH2 4.28Å
240A96.1Very high94.1Very high87 Ų8754.5 Ų54.572%0.71932%0.321SS*.  trans-73.2137.9173.500000111
241Y97.7Very high93.1Very high53 Ų5355.3 Ų55.321%0.20833%0.325CS..EExtended strand (participates in β ladder)trans-143.3162.217763.6-85.9000111L153 L155 C231 L234 E235 V243L153-Y241 CarbonylContact O-C 3.37Å; L153-Y241 VanDerWaalsContact O-CA 3.28Å; L153-Y241 WeakPolarHBondContact O-CA 3.46Å; L155-Y241 HydrophobicContact CB-CD2 4.19Å; L155-Y241 HydrophobicContact CD2-CD2 4.03Å; L155-Y241 HydrophobicContact CD2-CE2 4.28Å; L155-Y241 HydrophobicContact CD2-CG 4.46Å; C231-Y241 VanDerWaalsContact CB-OH 3.24Å; C231-Y241 WeakPolarHBondContact CB-OH 3.29Å; L234-Y241 HydrophobicContact CB-CD1 4.18Å; L234-Y241 HydrophobicContact CB-CE1 4.21Å; L234-Y241 HydrophobicContact CD1-CD1 4.23Å; E235-Y241 HydrophobicContact CG-CE1 4.12Å; E235-Y241 PolarHBondContact OE1-OH 2.9Å; Y241-V243 HydrophobicContact CD2-CG2 4.08Å; Y241-V243 HydrophobicContact CE2-CG2 3.74Å
242T97.1Very high92.4Very high81 Ų8157 Ų5750%0.49733%0.333SS..EExtended strand (participates in β ladder)trans-119.3130.7168.5-62.20000108.8L153 E154 L155 N244L153-T242 PolarHBondContact O-N 3.11Å; E154-T242 WeakPolarHBondContact CA-O 3.31Å; L155-T242 PolarHBondContact N-O 3.31Å; T242-N244 PolarHBondContact O-N 3.39Å
243V95.5Very high92Very high60 Ų6050.7 Ų50.736%0.36431%0.306SS..EExtended strand (participates in β ladder)trans-76.9115.1173.5-179.30000108.9L155 F227 Y241L155-V243 CarbonylContact O-C 3.46Å; L155-V243 VanDerWaalsContact O-CA 3.28Å; L155-V243 WeakPolarHBondContact O-CA 3.4Å; F227-V243 HydrophobicContact CE1-CG1 4.37Å; F227-V243 HydrophobicContact CE1-CG2 4.29Å; F227-V243 HydrophobicContact CZ-CG1 4.13Å; F227-V243 HydrophobicContact CZ-CG2 4.11Å; Y241-V243 HydrophobicContact CD2-CG2 4.08Å; Y241-V243 HydrophobicContact CE2-CG2 3.74Å
244N92.6Very high91.7Very high41 Ų4148.1 Ų48.122%0.21929%0.292CS..  trans-110.896.6176.6-179.21.6000109.9E154 L155 N156 T242 R246 L247E154-N244 HydrophobicContact CB-CB 4.29Å; E154-N244 PolarHBondContact OE2-ND2 3.08Å; L155-N244 PolarHBondContact O-N 3.34Å; N156-N244 VanDerWaalsContact CB-O 3.3Å; N156-N244 WeakPolarHBondContact CB-O 3.48Å; N156-N244 VanDerWaalsContact CG-O 3.27Å; N156-N244 PolarHBondContact ND2-O 3.15Å; T242-N244 PolarHBondContact O-N 3.39Å; N244-R246 PolarHBondContact O-N 2.8Å; N244-R246 WeakPolarHBondContact OD1-CB 3.32Å; N244-R246 PolarHBondContact OD1-N 3.27Å; N244-R246 VanDerWaalsContact OD1-N 3.08Å; N244-L247 HydrophobicContact CB-CB 4.22Å; N244-L247 VanDerWaalsContact O-CB 3.24Å; N244-L247 WeakPolarHBondContact O-CB 3.43Å; N244-L247 PolarHBondContact O-N 2.89Å
245Q89.3Confident91.4Very high70 Ų7048.8 Ų48.833%0.32730%0.296SS..THydrogen-bonded Turntrans-60.5-15.6-178.5-65.4-69.1-30.100114.1N156N156-Q245 PolarHBondContact ND2-O 2.76Å
246R89.1Confident91.3Very high82 Ų8244.8 Ų44.831%0.30928%0.275SS..THydrogen-bonded Turntrans-90.8-4.2178.1-62.5-176-71.8-152.7-4.7113.4L198 Q206 N210 N244 V248L198-R246 HydrophobicContact CB-CB 4.31Å; Q206-R246 VanDerWaalsContact OE1-CZ 3.27Å; N210-R246 PolarHBondContact OD1-NH1 2.8Å; N210-R246 VanDerWaalsContact OD1-NH1 3.16Å; N244-R246 PolarHBondContact O-N 2.8Å; N244-R246 WeakPolarHBondContact OD1-CB 3.32Å; N244-R246 PolarHBondContact OD1-N 3.27Å; N244-R246 VanDerWaalsContact OD1-N 3.08Å; R246-V248 PolarHBondContact O-N 3.07Å
247L91.6Very high91.3Very high8 Ų840.1 Ų40.14%0.04224%0.243CC..  trans-75.6110.2-179.5175.562.3000110.6E154 N156 N244 V258 E260E154-L247 HydrophobicContact CB-CD2 4.37Å; N156-L247 HydrophobicContact CB-CB 3.9Å; N156-L247 HydrophobicContact CB-CD2 4.28Å; N156-L247 HydrophobicContact CB-CG 4.35Å; N156-L247 PolarHBondContact ND2-O 3.34Å; N244-L247 HydrophobicContact CB-CB 4.22Å; N244-L247 VanDerWaalsContact O-CB 3.24Å; N244-L247 WeakPolarHBondContact O-CB 3.43Å; N244-L247 PolarHBondContact O-N 2.89Å; L247-V258 HydrophobicContact CD2-CG2 4.22Å; L247-V258 HydrophobicContact CG-CG2 3.97Å; L247-V258 WeakPolarHBondContact O-CG2 3.35Å; L247-E260 HydrophobicContact CD1-CB 4.42Å; L247-E260 VanDerWaalsContact CD1-CD 3.47Å; L247-E260 HydrophobicContact CD1-CG 3.65Å; L247-E260 WeakPolarHBondContact CD1-OE1 3.46Å; L247-E260 HydrophobicContact CD2-CG 4.38Å
248V87.8Confident91.3Very high12 Ų1237.9 Ų37.97%0.07322%0.224CC..  trans-127.1-0.9-178.2-63.90000115.5I158 L195 L198 L215 R246I158-V248 HydrophobicContact CG2-CG1 4.13Å; L195-V248 HydrophobicContact CB-CB 4.33Å; L195-V248 HydrophobicContact CB-CG1 4.27Å; L195-V248 HydrophobicContact CB-CG2 4.36Å; L195-V248 WeakPolarHBondContact O-CG2 3.44Å; L198-V248 HydrophobicContact CD1-CG1 3.71Å; L215-V248 HydrophobicContact CD1-CG1 4.42Å; R246-V248 PolarHBondContact O-N 3.07Å
249R85.7Confident91.4Very high45 Ų4534.8 Ų34.817%0.1719%0.191CC..  trans61.6166.8177.8-63.9-59.1-54.2147.50.2116.6R196 Y254 V258 E260R196-R249 PolarHBondContact NH1-O 3.22Å; R249-Y254 HydrophobicContact CB-CD2 3.57Å; R249-Y254 HydrophobicContact CB-CE2 3.7Å; R249-Y254 HydrophobicContact CG-CD2 4.12Å; R249-Y254 HydrophobicContact CG-CE2 4.12Å; R249-V258 HydrophobicContact CG-CB 3.78Å; R249-V258 HydrophobicContact CG-CG1 3.8Å; R249-E260 WeakPolarHBondContact CD-OE1 3.35Å; R249-E260 IonicContact CZ-OE1 3.07Å; R249-E260 IonicContact NE-OE1 2.76Å; R249-E260 IonicContact NH1-OE1 2.67Å; R249-E260 PolarHBondContact NH1-OE1 3.42Å; R249-E260 IonicContact NH1-OE2 3.29Å
250G77.4Confident91.4Very high32 Ų3234.7 Ų34.733%0.3319%0.191SC..SBendtrans-75.7-12.4-174.300000116.5R196R196-G250 VanDerWaalsContact CZ-C 3.43Å; R196-G250 VanDerWaalsContact CZ-O 3.28Å; R196-G250 PolarHBondContact NH1-O 3.26Å; R196-G250 VanDerWaalsContact NH1-O 3.12Å; R196-G250 PolarHBondContact NH2-O 3.42Å
251L78.1Confident91.5Very high17 Ų1731.2 Ų31.29%0.08916%0.159CC..  trans-136.3139-165.5-51.6168.2000109.4I46 V52 R196 Y253 Y254I46-L251 HydrophobicContact CG1-CD2 4.46Å; I46-L251 HydrophobicContact CG2-CD2 3.5Å; I46-L251 VanDerWaalsContact CG2-CD2 3.5Å; V52-L251 HydrophobicContact CG2-CD2 4.24Å; R196-L251 VanDerWaalsContact NH2-N 3.16Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 HydrophobicContact CB-CD1 3.91Å; L251-Y253 HydrophobicContact CB-CE1 3.54Å; L251-Y253 HydrophobicContact CB-CE2 4.39Å; L251-Y253 HydrophobicContact CB-CG 4.5Å; L251-Y253 HydrophobicContact CD1-CE1 3.63Å; L251-Y253 VanDerWaalsContact CD1-CZ 3.49Å; L251-Y253 WeakPolarHBondContact CD1-OH 3.26Å; L251-Y253 HydrophobicContact CG-CE1 4.09Å; L251-Y253 PolarHBondContact O-N 3.02Å; L251-Y254 HydrophobicContact CB-CD2 4.26Å; L251-Y254 HydrophobicContact CB-CE2 4Å; L251-Y254 HydrophobicContact CD1-CE2 4.3Å; L251-Y254 HydrophobicContact CG-CE2 4.45Å; L251-Y254 WeakPolarHBondContact O-CD2 3.21Å
252D82.7Confident91.4Very high48 Ų4829.6 Ų29.626%0.25715%0.154SC..THydrogen-bonded Turntrans-80.7-15.9-165.6-67.4-13.6000113.6I46 R164 N193 R196 Y254I46-D252 PolarHBondContact O-N 3.42Å; R164-D252 PolarHBondContact NH1-O 2.94Å; N193-D252 VanDerWaalsContact ND2-CG 3.31Å; N193-D252 PolarHBondContact ND2-OD1 3.4Å; N193-D252 PolarHBondContact ND2-OD2 2.6Å; N193-D252 VanDerWaalsContact ND2-OD2 3.17Å; R196-D252 IonicContact CZ-OD1 3.68Å; R196-D252 IonicContact NE-OD1 3.32Å; R196-D252 IonicContact NH2-OD1 2.71Å; R196-D252 PolarHBondContact NH2-OD1 3.1Å; D252-Y254 PolarHBondContact O-N 2.92Å
253Y89.9Confident91.3Very high13 Ų1325.9 Ų25.95%0.05113%0.132CC..THydrogen-bonded Turntrans-71.5-12-176.458.8-117.3000114.8A45 L251 Y278 L281A45-Y253 WeakPolarHBondContact O-CD1 3.12Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 HydrophobicContact CB-CD1 3.91Å; L251-Y253 HydrophobicContact CB-CE1 3.54Å; L251-Y253 HydrophobicContact CB-CE2 4.39Å; L251-Y253 HydrophobicContact CB-CG 4.5Å; L251-Y253 HydrophobicContact CD1-CE1 3.63Å; L251-Y253 VanDerWaalsContact CD1-CZ 3.49Å; L251-Y253 WeakPolarHBondContact CD1-OH 3.26Å; L251-Y253 HydrophobicContact CG-CE1 4.09Å; L251-Y253 PolarHBondContact O-N 3.02Å; Y253-Y278 VanDerWaalsContact CD2-CB 3.44Å; Y253-Y278 HydrophobicContact CD2-CD1 4.44Å; Y253-Y278 HydrophobicContact CD2-CG 4.04Å; Y253-Y278 HydrophobicContact CE2-CD1 4.1Å; Y253-Y278 HydrophobicContact CE2-CG 4.1Å; Y253-Y278 WeakPolarHBondContact O-CA 3.36Å; Y253-Y278 WeakPolarHBondContact O-CB 3.31Å; Y253-L281 HydrophobicContact CD1-CD2 4.23Å; Y253-L281 HydrophobicContact CD2-CD2 4.32Å; Y253-L281 HydrophobicContact CG-CD1 4.49Å; Y253-L281 HydrophobicContact CG-CD2 4.1Å
254Y92.8Very high91.1Very high8 Ų830.3 Ų30.33%0.03115%0.153CC..  trans-67.7152.6-177-73-67.2000111.5R164 R249 L251 D252 V258 R277 Y278R164-Y254 PolarHBondContact NH1-O 3.17Å; R164-Y254 PolarHBondContact NH2-O 3.31Å; R249-Y254 HydrophobicContact CB-CD2 3.57Å; R249-Y254 HydrophobicContact CB-CE2 3.7Å; R249-Y254 HydrophobicContact CG-CD2 4.12Å; R249-Y254 HydrophobicContact CG-CE2 4.12Å; L251-Y254 HydrophobicContact CB-CD2 4.26Å; L251-Y254 HydrophobicContact CB-CE2 4Å; L251-Y254 HydrophobicContact CD1-CE2 4.3Å; L251-Y254 HydrophobicContact CG-CE2 4.45Å; L251-Y254 WeakPolarHBondContact O-CD2 3.21Å; D252-Y254 PolarHBondContact O-N 2.92Å; Y254-V258 HydrophobicContact CD1-CG1 4.41Å; Y254-V258 HydrophobicContact CG-CG1 4.1Å; Y254-R277 CarbonylContact C-O 3.59Å; Y254-R277 WeakPolarHBondContact CA-O 3.32Å; Y254-R277 VanDerWaalsContact CD1-O 3.32Å; Y254-R277 WeakPolarHBondContact CD1-O 3.4Å; Y254-Y278 HydrophobicContact CD1-CD1 4.38Å; Y254-Y278 HydrophobicContact CE1-CD1 4.17Å
255N92.6Very high91Very high15 Ų1530.8 Ų30.88%0.0816%0.16CC..EExtended strand (participates in β ladder)trans-146.6163.5170.770.1-72000110T257 R277 Y278 D279N255-T257 PolarHBondContact O-N 2.91Å; N255-R277 PolarHBondContact N-O 2.74Å; N255-R277 CarbonylContact O-C 3.55Å; N255-R277 WeakPolarHBondContact O-CB 3.4Å; N255-R277 VanDerWaalsContact O-O 3.11Å; N255-R277 PolarHBondContact OD1-O 2.93Å; N255-Y278 WeakPolarHBondContact OD1-CA 3.3Å; N255-Y278 PolarHBondContact OD1-N 2.9Å; N255-D279 PolarHBondContact ND2-OD2 2.93Å; N255-D279 PolarHBondContact OD1-N 2.82Å
256R94.5Very high90.9Very high35 Ų3529.9 Ų29.913%0.13216%0.157CC..EExtended strand (participates in β ladder)trans48-122.4-179.1-64.8-179.5174.5-175.5-0.3111.4S157 I158 G159 E222 V258 R277S157-R256 CarbonylContact C-O 3.55Å; S157-R256 VanDerWaalsContact CA-O 3.26Å; S157-R256 WeakPolarHBondContact CA-O 3.43Å; I158-R256 WeakPolarHBondContact CG1-O 3.47Å; I158-R256 PolarHBondContact N-O 2.87Å; G159-R256 PolarHBondContact O-N 3.17Å; E222-R256 IonicContact OE2-NH2 2.82Å; E222-R256 PolarHBondContact OE2-NH2 2.86Å; R256-V258 PolarHBondContact O-N 3.29Å; R256-R277 HydrophobicContact CB-CB 4.42Å
257T96.9Very high90.4Very high1 Ų128.4 Ų28.41%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-57.2131.7-177.7-53.20000112.8D131 L155 L230 N255 G276 R277D131-T257 HydrophobicContact CB-CG2 4.42Å; D131-T257 WeakPolarHBondContact OD2-CB 3.19Å; D131-T257 PolarHBondContact OD2-OG1 3.01Å; L155-T257 HydrophobicContact CD1-CG2 4.11Å; L230-T257 HydrophobicContact CD2-CG2 3.46Å; L230-T257 VanDerWaalsContact CD2-CG2 3.46Å; N255-T257 PolarHBondContact O-N 2.91Å; T257-G276 CarbonylContact O-C 3.6Å; T257-G276 WeakPolarHBondContact O-CA 3.15Å; T257-R277 PolarHBondContact O-N 3.2Å
258V97.2Very high89.3Confident0 Ų033.6 Ų33.60%020%0.204CC..EExtended strand (participates in β ladder)trans-133.7144.9160.1-69.80000109.6N156 I158 L247 R249 Y254 R256 G275N156-V258 HydrophobicContact CB-CG2 3.83Å; N156-V258 PolarHBondContact N-O 3.44Å; N156-V258 PolarHBondContact O-N 2.83Å; N156-V258 VanDerWaalsContact O-O 3.07Å; I158-V258 HydrophobicContact CD1-CG1 3.6Å; I158-V258 HydrophobicContact CG1-CG1 3.97Å; I158-V258 HydrophobicContact CG1-CG2 4.48Å; I158-V258 HydrophobicContact CG2-CG2 3.9Å; L247-V258 HydrophobicContact CD2-CG2 4.22Å; L247-V258 HydrophobicContact CG-CG2 3.97Å; L247-V258 WeakPolarHBondContact O-CG2 3.35Å; R249-V258 HydrophobicContact CG-CB 3.78Å; R249-V258 HydrophobicContact CG-CG1 3.8Å; Y254-V258 HydrophobicContact CD1-CG1 4.41Å; Y254-V258 HydrophobicContact CG-CG1 4.1Å; R256-V258 PolarHBondContact O-N 3.29Å; V258-G275 WeakPolarHBondContact CA-O 3.35Å
259F97.9Very high88.3Confident3 Ų335.7 Ų35.71%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-145.5154.5-179.774.1-90.4000112.7I135 L153 E154 L155 W261 A274 G275 F295I135-F259 HydrophobicContact CD1-CB 4.43Å; I135-F259 HydrophobicContact CD1-CD1 4.27Å; I135-F259 HydrophobicContact CD1-CG 4.25Å; I135-F259 HydrophobicContact CG1-CD1 4.18Å; I135-F259 HydrophobicContact CG1-CD2 4.28Å; I135-F259 HydrophobicContact CG1-CE1 4.22Å; I135-F259 HydrophobicContact CG1-CE2 4.32Å; I135-F259 HydrophobicContact CG1-CG 4.2Å; I135-F259 HydrophobicContact CG1-CZ 4.27Å; L153-F259 HydrophobicContact CD1-CB 3.97Å; L153-F259 HydrophobicContact CD1-CD2 4Å; L153-F259 HydrophobicContact CD1-CG 4.38Å; E154-F259 CarbonylContact O-C 3.59Å; E154-F259 VanDerWaalsContact O-CA 3.27Å; E154-F259 WeakPolarHBondContact O-CA 3.36Å; L155-F259 HydrophobicContact CD1-CB 3.78Å; F259-W261 AromaticContact CE2-CD1 3.96Å; F259-A274 WeakPolarHBondContact O-CA 2.99Å; F259-G275 PolarHBondContact N-O 2.77Å; F259-G275 PolarHBondContact O-N 2.7Å; F259-F295 HydrophobicContact CE1-CB 4.34Å; F259-F295 HydrophobicContact CE2-CB 4.4Å; F259-F295 HydrophobicContact CZ-CB 3.64Å; F259-F295 HydrophobicContact CZ-CD1 4.18Å; F259-F295 HydrophobicContact CZ-CG 4.2Å
260E97.1Very high88.3Confident18 Ų1834.4 Ų34.48%0.08421%0.214CC..EExtended strand (participates in β ladder)trans-137133.7172.3-72.5-169.8-15400110.9E154 L247 R249 V262 T271 A274E154-E260 PolarHBondContact N-O 2.68Å; E154-E260 PolarHBondContact O-N 2.86Å; L247-E260 HydrophobicContact CD1-CB 4.42Å; L247-E260 VanDerWaalsContact CD1-CD 3.47Å; L247-E260 HydrophobicContact CD1-CG 3.65Å; L247-E260 WeakPolarHBondContact CD1-OE1 3.46Å; L247-E260 HydrophobicContact CD2-CG 4.38Å; R249-E260 WeakPolarHBondContact CD-OE1 3.35Å; R249-E260 IonicContact CZ-OE1 3.07Å; R249-E260 IonicContact NE-OE1 2.76Å; R249-E260 IonicContact NH1-OE1 2.67Å; R249-E260 PolarHBondContact NH1-OE1 3.42Å; R249-E260 IonicContact NH1-OE2 3.29Å; E260-V262 HydrophobicContact CB-CG1 4.02Å; E260-T271 HydrophobicContact CB-CG2 4.38Å; E260-T271 HydrophobicContact CG-CG2 4.11Å; E260-T271 VanDerWaalsContact OE2-CG2 3.23Å; E260-T271 WeakPolarHBondContact OE2-CG2 3.3Å; E260-T271 PolarHBondContact OE2-OG1 3.21Å; E260-A274 HydrophobicContact CG-CB 3.78Å
261W97.8Very high89Confident14 Ų1434.8 Ų34.85%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-88.8115159.4-70.299.5000108.4I135 T138 A139 W142 V151 T152 L153 I239 F259 V272 C273I135-W261 HydrophobicContact CG2-CZ2 4.06Å; T138-W261 PolarHBondContact OG1-NE1 3.16Å; A139-W261 HydrophobicContact CB-CH2 4.11Å; A139-W261 HydrophobicContact CB-CZ2 4.01Å; W142-W261 AromaticContact CD1-CD2 3.9Å; W142-W261 AromaticContact CD1-CE2 3.99Å; W142-W261 AromaticContact CD1-CE3 3.8Å; W142-W261 AromaticContact CD1-CH2 3.93Å; W142-W261 AromaticContact CD1-CZ3 3.81Å; W142-W261 AromaticContact CE2-CG 3.98Å; W142-W261 HydrophobicContact CZ2-CB 4.13Å; W142-W261 AromaticContact CZ2-CD1 3.92Å; W142-W261 HydrophobicContact CZ2-CD2 4.48Å; W142-W261 AromaticContact CZ2-CG 3.91Å; W142-W261 HydrophobicContact CZ2-CG 3.91Å; W142-W261 AromaticContact NE1-CD1 3.76Å; W142-W261 AromaticContact NE1-CD2 3.1Å; W142-W261 AromaticContact NE1-CE2 3.24Å; W142-W261 AromaticContact NE1-CE3 3.46Å; W142-W261 AromaticContact NE1-CG 3.46Å; W142-W261 AromaticContact NE1-CZ2 3.71Å; W142-W261 AromaticContact NE1-CZ3 3.89Å; W142-W261 AromaticContact NE1-NE1 3.61Å; V151-W261 HydrophobicContact CB-CE3 4.1Å; V151-W261 HydrophobicContact CG2-CE3 3.93Å; V151-W261 HydrophobicContact CG2-CZ3 4.16Å; T152-W261 CarbonylContact O-C 3.47Å; T152-W261 WeakPolarHBondContact O-CA 3.37Å; L153-W261 HydrophobicContact CB-CD2 4.25Å; L153-W261 HydrophobicContact CB-CE3 3.91Å; L153-W261 HydrophobicContact CB-CH2 3.83Å; L153-W261 HydrophobicContact CB-CZ2 4.16Å; L153-W261 HydrophobicContact CB-CZ3 3.7Å; L153-W261 HydrophobicContact CD1-CD2 4.21Å; L153-W261 HydrophobicContact CD1-CZ2 4.25Å; L153-W261 HydrophobicContact CD2-CH2 4.32Å; L153-W261 HydrophobicContact CD2-CZ2 4.16Å; L153-W261 HydrophobicContact CG-CZ2 4.45Å; I239-W261 HydrophobicContact CG2-CH2 4.28Å; F259-W261 AromaticContact CE2-CD1 3.96Å; W261-V272 PolarHBondContact O-N 3.49Å; W261-C273 HydrophobicContact CB-CB 4.23Å; W261-C273 PolarHBondContact N-O 3.01Å
262V95.7Very high89.8Confident19 Ų1934.1 Ų34.112%0.11521%0.207CC..EExtended strand (participates in β ladder)trans-109.8153.7-179-60.40000111.6V151 T152 E154 E260 G270V151-V262 CarbonylContact C-O 3.49Å; V151-V262 VanDerWaalsContact CA-O 3.26Å; V151-V262 WeakPolarHBondContact CA-O 3.44Å; T152-V262 PolarHBondContact N-O 3.42Å; T152-V262 PolarHBondContact O-N 3.05Å; E154-V262 HydrophobicContact CG-CG2 4.08Å; E260-V262 HydrophobicContact CB-CG1 4.02Å; V262-G270 CarbonylContact C-O 3.42Å; V262-G270 VanDerWaalsContact CA-O 3.27Å; V262-G270 WeakPolarHBondContact CA-O 3.48Å
263T94.9Very high90.5Very high3 Ų332 Ų322%0.01820%0.195CC..  trans-134.5143174.1-170.60000111.2H150 S265 L266 G270 V272 L305H150-T263 WeakPolarHBondContact O-CB 3.39Å; H150-T263 PolarHBondContact O-OG1 3.35Å; T263-S265 WeakPolarHBondContact OG1-CB 3.44Å; T263-S265 PolarHBondContact OG1-N 2.66Å; T263-S265 VanDerWaalsContact OG1-N 3.12Å; T263-S265 PolarHBondContact OG1-OG 3.45Å; T263-L266 HydrophobicContact CG2-CB 4.2Å; T263-L266 HydrophobicContact CG2-CD1 4.09Å; T263-L266 HydrophobicContact CG2-CG 3.98Å; T263-G270 PolarHBondContact N-O 3.36Å; T263-G270 WeakPolarHBondContact O-CA 3.48Å; T263-V272 HydrophobicContact CG2-CG2 3.68Å; T263-L305 HydrophobicContact CG2-CD1 4.18Å; T263-L305 HydrophobicContact CG2-CD2 4.26Å
264N92Very high90.9Very high152 Ų15231.5 Ų31.581%0.81319%0.194SC*.SBendtrans-90.5-4.9169.5-65.2-34.1000112.3L266N264-L266 VanDerWaalsContact C-N 3.27Å; N264-L266 PolarHBondContact O-N 2.62Å
265S90.8Very high91.1Very high52 Ų5231.1 Ų31.136%0.36419%0.193SC..THydrogen-bonded Turntrans-77.3-11.5-173.2-47.50000113.7T263T263-S265 WeakPolarHBondContact OG1-CB 3.44Å; T263-S265 PolarHBondContact OG1-N 2.66Å; T263-S265 VanDerWaalsContact OG1-N 3.12Å; T263-S265 PolarHBondContact OG1-OG 3.45Å
266L85.7Confident91.3Very high50 Ų5030.4 Ų30.426%0.26219%0.189SC..THydrogen-bonded Turntrans-112.812.5-178.1-62.5-178000113.6T263 N264 R301 L304 L305T263-L266 HydrophobicContact CG2-CB 4.2Å; T263-L266 HydrophobicContact CG2-CD1 4.09Å; T263-L266 HydrophobicContact CG2-CG 3.98Å; N264-L266 VanDerWaalsContact C-N 3.27Å; N264-L266 PolarHBondContact O-N 2.62Å; L266-R301 HydrophobicContact CD1-CG 3.52Å; L266-L304 HydrophobicContact CD2-CB 4.35Å; L266-L305 HydrophobicContact CD1-CB 4.16Å; L266-L305 HydrophobicContact CG-CD1 4.46Å
267G78.9Confident91.4Very high51 Ų5128.8 Ų28.853%0.52618%0.183SC..SBendtrans80-140.1-18000000113.2Q269G267-Q269 PolarHBondContact O-N 3.19Å
268S68.4Low91.4Very high118 Ų11828.8 Ų28.883%0.82518%0.183SC*.SBendtrans-69.5-2.8-171.860.20000115.5
269Q67.9Low91.3Very high56 Ų5630.3 Ų30.326%0.26219%0.191SC..  trans-120.885.2-176.2-69.6-67.4-46.200109.7G267G267-Q269 PolarHBondContact O-N 3.19Å
270G85.9Confident91.1Very high18 Ų1831.5 Ų31.519%0.18620%0.204CC..  trans-90.3-24-167.100000116.7V262 T263 V272V262-G270 CarbonylContact C-O 3.42Å; V262-G270 VanDerWaalsContact CA-O 3.27Å; V262-G270 WeakPolarHBondContact CA-O 3.48Å; T263-G270 PolarHBondContact N-O 3.36Å; T263-G270 WeakPolarHBondContact O-CA 3.48Å; G270-V272 PolarHBondContact O-N 2.73Å
271T92Very high91Very high39 Ų3930.6 Ų30.624%0.23920%0.2CC..EExtended strand (participates in β ladder)trans-68.8118.7-173.1-44.60000112.1E260 A274 R301E260-T271 HydrophobicContact CB-CG2 4.38Å; E260-T271 HydrophobicContact CG-CG2 4.11Å; E260-T271 VanDerWaalsContact OE2-CG2 3.23Å; E260-T271 WeakPolarHBondContact OE2-CG2 3.3Å; E260-T271 PolarHBondContact OE2-OG1 3.21Å; T271-A274 HydrophobicContact CG2-CB 3.91Å; T271-R301 WeakPolarHBondContact O-CD 3.1Å; T271-R301 PolarHBondContact O-NH1 2.96Å
272V95Very high90.9Very high4 Ų430 Ų302%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-94.6-46.5178.7-177.50000111.2W142 V151 W261 T263 G270 M297 L302 L305W142-V272 HydrophobicContact CH2-CG1 3.92Å; W142-V272 HydrophobicContact CZ2-CG1 4.48Å; W142-V272 HydrophobicContact CZ3-CG1 4.3Å; V151-V272 HydrophobicContact CG1-CG2 4.18Å; W261-V272 PolarHBondContact O-N 3.49Å; T263-V272 HydrophobicContact CG2-CG2 3.68Å; G270-V272 PolarHBondContact O-N 2.73Å; V272-M297 WeakPolarHBondContact O-CB 3.43Å; V272-L302 HydrophobicContact CG1-CD1 4.18Å; V272-L305 HydrophobicContact CG1-CD2 4.11Å; V272-L305 HydrophobicContact CG2-CD2 3.68Å
273C97.3Very high90.9Very high2 Ų234.8 Ų34.81%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-145.5145.6-179.6176.10000107.9W142 W261 F295 M297W142-C273 HydrophobicContact CH2-CB 3.88Å; W142-C273 HydrophobicContact CZ2-CB 3.72Å; W261-C273 HydrophobicContact CB-CB 4.23Å; W261-C273 PolarHBondContact N-O 3.01Å; C273-F295 VanDerWaalsContact SG-CD2 3.51Å; C273-M297 HydrophobicContact CB-CB 3.9Å
274A96.8Very high90.9Very high4 Ų438.4 Ų38.43%0.03324%0.235CC..EExtended strand (participates in β ladder)trans-153.6150.8178.600000112.1F259 E260 T271 F295 A296F259-A274 WeakPolarHBondContact O-CA 2.99Å; E260-A274 HydrophobicContact CG-CB 3.78Å; T271-A274 HydrophobicContact CG2-CB 3.91Å; A274-F295 VanDerWaalsContact O-CA 3.3Å; A274-F295 WeakPolarHBondContact O-CA 3.45Å; A274-F295 WeakPolarHBondContact O-CB 3.33Å; A274-A296 PolarHBondContact N-O 3.06Å; A274-A296 VanDerWaalsContact N-O 3.09Å; A274-A296 PolarHBondContact O-N 3.12Å
275G97.5Very high91.1Very high0 Ų032.4 Ų32.40%020%0.203CC..EExtended strand (participates in β ladder)trans-163.7-170.2-175.500000113V258 F259 G294V258-G275 WeakPolarHBondContact CA-O 3.35Å; F259-G275 PolarHBondContact N-O 2.77Å; F259-G275 PolarHBondContact O-N 2.7Å; G275-G294 CarbonylContact C-O 3.6Å; G275-G294 WeakPolarHBondContact CA-O 3.3Å
276G97.4Very high91.3Very high0 Ų032.7 Ų32.70%021%0.214CC..EExtended strand (participates in β ladder)trans163.7178-178.800000112.3T257 Y278 G294T257-G276 CarbonylContact O-C 3.6Å; T257-G276 WeakPolarHBondContact O-CA 3.15Å; G276-Y278 WeakPolarHBondContact O-CD1 3.45Å; G276-G294 PolarHBondContact N-O 3.2Å; G276-G294 PolarHBondContact O-N 3.24Å; G276-G294 VanDerWaalsContact O-N 3.12Å
277R97.2Very high91.8Very high1 Ų131.1 Ų31.10%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-81.6146.3175.3-90.3-176.7176.1-75.5-7.6111.6L125 Q126 G127 D131 H226 Y254 N255 R256 T257 D279 A292 V293L125-R277 PolarHBondContact O-NH1 3.28Å; L125-R277 VanDerWaalsContact O-NH1 3.09Å; L125-R277 PolarHBondContact O-NH2 3.49Å; Q126-R277 VanDerWaalsContact C-NH2 3.28Å; Q126-R277 PolarHBondContact O-NH2 3.37Å; Q126-R277 VanDerWaalsContact O-NH2 3.16Å; G127-R277 PolarHBondContact O-NH2 3.37Å; D131-R277 VanDerWaalsContact CG-NE 3.3Å; D131-R277 IonicContact OD1-CZ 3.43Å; D131-R277 IonicContact OD1-NE 2.64Å; D131-R277 PolarHBondContact OD1-NE 2.86Å; D131-R277 IonicContact OD1-NH2 2.86Å; D131-R277 PolarHBondContact OD1-NH2 3.39Å; D131-R277 WeakPolarHBondContact OD2-CD 3.36Å; D131-R277 IonicContact OD2-NE 2.68Å; D131-R277 PolarHBondContact OD2-NE 3.08Å; H226-R277 PolarHBondContact CE1-NE 3.11Å; H226-R277 VanDerWaalsContact CE1-NE 3.34Å; H226-R277 PolarHBondContact NE2-NE 2.93Å; H226-R277 VanDerWaalsContact NE2-NE 3.18Å; Y254-R277 CarbonylContact C-O 3.59Å; Y254-R277 WeakPolarHBondContact CA-O 3.32Å; Y254-R277 VanDerWaalsContact CD1-O 3.32Å; Y254-R277 WeakPolarHBondContact CD1-O 3.4Å; N255-R277 PolarHBondContact N-O 2.74Å; N255-R277 CarbonylContact O-C 3.55Å; N255-R277 WeakPolarHBondContact O-CB 3.4Å; N255-R277 VanDerWaalsContact O-O 3.11Å; N255-R277 PolarHBondContact OD1-O 2.93Å; R256-R277 HydrophobicContact CB-CB 4.42Å; T257-R277 PolarHBondContact O-N 3.2Å; R277-D279 IonicContact NH1-OD1 3.06Å; R277-D279 PolarHBondContact NH1-OD1 3.4Å; R277-A292 CarbonylContact C-O 3.52Å; R277-A292 WeakPolarHBondContact CA-O 3.15Å; R277-V293 HydrophobicContact CG-CB 3.74Å; R277-V293 HydrophobicContact CG-CG2 3.7Å
278Y96.2Very high92.6Very high1 Ų136.3 Ų36.30%0.00421%0.214CC..  trans-148.949.1-178.553.3-95.6000111.6T75 E121 F123 Y253 Y254 N255 G276 G280 L281 A292 V293 G294T75-Y278 HydrophobicContact CG2-CD2 4.37Å; T75-Y278 HydrophobicContact CG2-CE1 4.25Å; T75-Y278 HydrophobicContact CG2-CE2 3.92Å; E121-Y278 WeakPolarHBondContact CB-OH 3.22Å; E121-Y278 PolarHBondContact OE2-OH 2.92Å; F123-Y278 HydrophobicContact CE1-CE2 4.08Å; Y253-Y278 VanDerWaalsContact CD2-CB 3.44Å; Y253-Y278 HydrophobicContact CD2-CD1 4.44Å; Y253-Y278 HydrophobicContact CD2-CG 4.04Å; Y253-Y278 HydrophobicContact CE2-CD1 4.1Å; Y253-Y278 HydrophobicContact CE2-CG 4.1Å; Y253-Y278 WeakPolarHBondContact O-CA 3.36Å; Y253-Y278 WeakPolarHBondContact O-CB 3.31Å; Y254-Y278 HydrophobicContact CD1-CD1 4.38Å; Y254-Y278 HydrophobicContact CE1-CD1 4.17Å; N255-Y278 WeakPolarHBondContact OD1-CA 3.3Å; N255-Y278 PolarHBondContact OD1-N 2.9Å; G276-Y278 WeakPolarHBondContact O-CD1 3.45Å; Y278-G280 PolarHBondContact O-N 2.98Å; Y278-L281 HydrophobicContact CD2-CB 3.91Å; Y278-L281 HydrophobicContact CD2-CD2 3.83Å; Y278-L281 HydrophobicContact CD2-CG 4.49Å; Y278-L281 HydrophobicContact CE2-CD2 4.38Å; Y278-L281 HydrophobicContact CG-CD2 4.47Å; Y278-L281 WeakPolarHBondContact O-CB 3.46Å; Y278-L281 PolarHBondContact O-N 2.92Å; Y278-A292 HydrophobicContact CD2-CB 3.58Å; Y278-A292 HydrophobicContact CE2-CB 3.23Å; Y278-A292 HydrophobicContact CG-CB 4.39Å; Y278-A292 PolarHBondContact N-O 2.95Å; Y278-V293 PolarHBondContact OH-O 3.32Å; Y278-G294 VanDerWaalsContact CE1-N 3.33Å
279D95.1Very high93.9Very high32 Ų3234 Ų3417%0.17120%0.202CC..THydrogen-bonded Turntrans-56.5-28.8-171.4-58.5-48.6000113.6N255 R277 P291 A292N255-D279 PolarHBondContact ND2-OD2 2.93Å; N255-D279 PolarHBondContact OD1-N 2.82Å; R277-D279 IonicContact NH1-OD1 3.06Å; R277-D279 PolarHBondContact NH1-OD1 3.4Å; D279-P291 WeakPolarHBondContact OD1-CA 3.34Å; D279-P291 VanDerWaalsContact OD1-CB 3.3Å; D279-P291 WeakPolarHBondContact OD1-CB 3.47Å; D279-A292 PolarHBondContact OD1-N 3.39Å
280G93.5Very high95.3Very high27 Ų2731.8 Ų31.828%0.27819%0.192SC..THydrogen-bonded Turntrans-79.1-17.6179.400000114.8Y278 V282 E283 Q284Y278-G280 PolarHBondContact O-N 2.98Å; G280-V282 PolarHBondContact O-N 3.38Å; G280-E283 PolarHBondContact O-N 2.75Å; G280-Q284 VanDerWaalsContact O-CB 3.22Å; G280-Q284 WeakPolarHBondContact O-CB 3.37Å; G280-Q284 PolarHBondContact O-N 3.44Å
281L95.5Very high95.8Very high0 Ų032 Ų320%019%0.19CC..Hα-helixtrans-66.7-36.1-168.3-177.357.3000113.1A45 T75 V79 Y253 Y278 Q284 L285A45-L281 HydrophobicContact CB-CD1 3.87Å; T75-L281 HydrophobicContact CG2-CD2 3.89Å; V79-L281 HydrophobicContact CG2-CD2 3.98Å; V79-L281 HydrophobicContact CG2-CG 4.26Å; Y253-L281 HydrophobicContact CD1-CD2 4.23Å; Y253-L281 HydrophobicContact CD2-CD2 4.32Å; Y253-L281 HydrophobicContact CG-CD1 4.49Å; Y253-L281 HydrophobicContact CG-CD2 4.1Å; Y278-L281 HydrophobicContact CD2-CB 3.91Å; Y278-L281 HydrophobicContact CD2-CD2 3.83Å; Y278-L281 HydrophobicContact CD2-CG 4.49Å; Y278-L281 HydrophobicContact CE2-CD2 4.38Å; Y278-L281 HydrophobicContact CG-CD2 4.47Å; Y278-L281 WeakPolarHBondContact O-CB 3.46Å; Y278-L281 PolarHBondContact O-N 2.92Å; L281-Q284 PolarHBondContact O-N 2.85Å; L281-L285 HydrophobicContact CD1-CD1 4.09Å; L281-L285 HydrophobicContact CD1-CG 4.15Å; L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CG 3.25Å; L281-L285 PolarHBondContact O-N 3.12Å
282V96.5Very high96.1Very high1 Ų130.1 Ų30.11%0.00618%0.179CC..Hα-helixtrans-65.3-47.2-179-178.80000110.9V79 I83 L88 F123 G280 L285 G286 G287 R288V79-V282 HydrophobicContact CG1-CB 4.34Å; V79-V282 HydrophobicContact CG1-CG2 4Å; I83-V282 HydrophobicContact CD1-CG1 4.21Å; I83-V282 HydrophobicContact CG1-CG1 4.12Å; L88-V282 HydrophobicContact CD1-CG1 3.7Å; L88-V282 HydrophobicContact CD1-CG2 4.04Å; F123-V282 HydrophobicContact CD1-CG2 4.04Å; F123-V282 HydrophobicContact CE1-CG2 4.04Å; G280-V282 PolarHBondContact O-N 3.38Å; V282-L285 PolarHBondContact O-N 2.96Å; V282-G286 PolarHBondContact O-N 2.9Å; V282-G287 WeakPolarHBondContact O-CA 3.29Å; V282-G287 PolarHBondContact O-N 3.41Å; V282-R288 WeakPolarHBondContact CG1-O 3.31Å
283E95.6Very high96.2Very high120 Ų12030 Ų3056%0.56118%0.178SC*.Hα-helixtrans-65.8-41.7174.7-178.9171.9-141.700111.2G280 L285 G286 G287G280-E283 PolarHBondContact O-N 2.75Å; E283-L285 PolarHBondContact O-N 3.29Å; E283-L285 VanDerWaalsContact O-N 3.16Å; E283-G286 PolarHBondContact O-N 2.83Å; E283-G287 WeakPolarHBondContact CA-O 3.38Å
284Q94.3Very high96.3Very high78 Ų7830 Ų3036%0.36418%0.178SC..Hα-helixtrans-57.3-30.6175.7179.5171.5-14.500112R44 G280 L281R44-Q284 HydrophobicContact CG-CG 4.43Å; R44-Q284 PolarHBondContact NE-O 3.4Å; R44-Q284 PolarHBondContact NH2-O 3.28Å; R44-Q284 PolarHBondContact O-NE2 3.19Å; G280-Q284 VanDerWaalsContact O-CB 3.22Å; G280-Q284 WeakPolarHBondContact O-CB 3.37Å; G280-Q284 PolarHBondContact O-N 3.44Å; L281-Q284 PolarHBondContact O-N 2.85Å
285L96Very high96.3Very high27 Ų2729.8 Ų29.814%0.14118%0.177CC..THydrogen-bonded Turntrans-91.29.4175.4-68.8179.5000114.4L41 R44 A45 V79 I83 L281 V282 E283L41-L285 HydrophobicContact CD1-CD1 3.95Å; L41-L285 HydrophobicContact CD1-CD2 4.05Å; R44-L285 HydrophobicContact CB-CD2 4.12Å; R44-L285 HydrophobicContact CG-CD2 4.04Å; A45-L285 HydrophobicContact CB-CD1 4.21Å; A45-L285 HydrophobicContact CB-CD2 4.17Å; V79-L285 HydrophobicContact CB-CD1 3.93Å; V79-L285 HydrophobicContact CG1-CB 4.31Å; V79-L285 HydrophobicContact CG1-CD1 3.65Å; V79-L285 HydrophobicContact CG1-CG 4.49Å; I83-L285 HydrophobicContact CD1-CB 3.91Å; L281-L285 HydrophobicContact CD1-CD1 4.09Å; L281-L285 HydrophobicContact CD1-CG 4.15Å; L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CG 3.25Å; L281-L285 PolarHBondContact O-N 3.12Å; V282-L285 PolarHBondContact O-N 2.96Å; E283-L285 PolarHBondContact O-N 3.29Å; E283-L285 VanDerWaalsContact O-N 3.16Å
286G95.4Very high96.4Very high57 Ų5730.9 Ų30.959%0.58819%0.186SC*.THydrogen-bonded Turntrans91.77.7175.900000114.8V282 E283V282-G286 PolarHBondContact O-N 2.9Å; E283-G286 PolarHBondContact O-N 2.83Å
287G95.8Very high96.3Very high18 Ų1831.1 Ų31.119%0.18619%0.187CC..SBendtrans-78.7-179.3169.600000112.4V282 E283V282-G287 WeakPolarHBondContact O-CA 3.29Å; V282-G287 PolarHBondContact O-N 3.41Å; E283-G287 WeakPolarHBondContact CA-O 3.38Å
288R95.8Very high96.2Very high159 Ų15932.1 Ų32.160%0.620%0.197SC*.  trans-80145.8168.3-67.7179.1177.1-141.73.1109.5Y89 V282 T290Y89-R288 HydrophobicContact CD2-CB 4.1Å; Y89-R288 HydrophobicContact CD2-CG 4.24Å; Y89-R288 PolarHBondContact OH-NH1 3.32Å; V282-R288 WeakPolarHBondContact CG1-O 3.31Å; R288-T290 PolarHBondContact O-N 3.38Å; R288-T290 PolarHBondContact O-OG1 2.88Å
289A95.3Very high96.2Very high71 Ų7132.1 Ų32.159%0.58720%0.198SC*.  trans-46.8115.9175.800000110.8
290T96.7Very high96.2Very high9 Ų930.9 Ų30.96%0.05519%0.191CC..  trans-142117.3-174.1-56.70000108L88 F123 R288L88-T290 HydrophobicContact CB-CG2 4.31Å; F123-T290 HydrophobicContact CB-CG2 4.09Å; R288-T290 PolarHBondContact O-N 3.38Å; R288-T290 PolarHBondContact O-OG1 2.88Å
291P96.6Very high96.1Very high21 Ų2130.9 Ų30.914%0.13618%0.182CC..  trans-64.7145.1178.230.1-36.9000110.5F123 G124 Q126 D279F123-P291 CarbonylContact C-O 3.41Å; F123-P291 WeakPolarHBondContact CA-O 3.25Å; G124-P291 PolarHBondContact N-O 3.35Å; Q126-P291 HydrophobicContact CG-CB 3.62Å; Q126-P291 HydrophobicContact CG-CG 3.54Å; D279-P291 WeakPolarHBondContact OD1-CA 3.34Å; D279-P291 VanDerWaalsContact OD1-CB 3.3Å; D279-P291 WeakPolarHBondContact OD1-CB 3.47Å
292A97.9Very high96.2Very high1 Ų130.9 Ų30.91%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-151.7145-171.900000112.9V122 F123 R277 Y278 D279V122-A292 WeakPolarHBondContact O-CA 3.44Å; F123-A292 HydrophobicContact CD1-CB 3.63Å; F123-A292 HydrophobicContact CE1-CB 3.85Å; R277-A292 CarbonylContact C-O 3.52Å; R277-A292 WeakPolarHBondContact CA-O 3.15Å; Y278-A292 HydrophobicContact CD2-CB 3.58Å; Y278-A292 HydrophobicContact CE2-CB 3.23Å; Y278-A292 HydrophobicContact CG-CB 4.39Å; Y278-A292 PolarHBondContact N-O 2.95Å; D279-A292 PolarHBondContact OD1-N 3.39Å
293V98.4Very high96.1Very high1 Ų131.1 Ų31.11%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-149145178.862.80000109.7V122 I130 L134 R277 Y278V122-V293 HydrophobicContact CB-CG1 4.02Å; V122-V293 PolarHBondContact N-O 2.67Å; V122-V293 PolarHBondContact O-N 3.42Å; I130-V293 HydrophobicContact CB-CG1 4.48Å; I130-V293 HydrophobicContact CG1-CG1 3.93Å; I130-V293 HydrophobicContact CG2-CG1 3.86Å; L134-V293 HydrophobicContact CD1-CB 4.16Å; L134-V293 HydrophobicContact CD1-CG1 3.69Å; L134-V293 HydrophobicContact CD1-CG2 3.72Å; R277-V293 HydrophobicContact CG-CB 3.74Å; R277-V293 HydrophobicContact CG-CG2 3.7Å; Y278-V293 PolarHBondContact OH-O 3.32Å
294G98.4Very high96Very high1 Ų127.2 Ų27.21%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-173.9177.2-175.200000113.6C120 E121 G275 G276 Y278C120-G294 CarbonylContact O-C 3.58Å; C120-G294 WeakPolarHBondContact O-CA 3.05Å; E121-G294 WeakPolarHBondContact OE2-CA 3.12Å; G275-G294 CarbonylContact C-O 3.6Å; G275-G294 WeakPolarHBondContact CA-O 3.3Å; G276-G294 PolarHBondContact N-O 3.2Å; G276-G294 PolarHBondContact O-N 3.24Å; G276-G294 VanDerWaalsContact O-N 3.12Å; Y278-G294 VanDerWaalsContact CE1-N 3.33Å
295F98.3Very high96Very high1 Ų123.5 Ų23.50%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-148.9162.4177.668.6-103000111.2L118 G119 C120 L134 L137 T138 W141 F259 C273 A274L118-F295 HydrophobicContact CD2-CE2 4.38Å; G119-F295 CarbonylContact C-O 3.55Å; G119-F295 WeakPolarHBondContact CA-O 3.37Å; C120-F295 HydrophobicContact CB-CD1 4.29Å; C120-F295 HydrophobicContact CB-CE1 3.75Å; C120-F295 HydrophobicContact CB-CE2 4.12Å; C120-F295 HydrophobicContact CB-CZ 3.63Å; C120-F295 PolarHBondContact N-O 3.49Å; C120-F295 PolarHBondContact O-N 3Å; C120-F295 WeakPolarHBondContact SG-CZ 3.04Å; L134-F295 HydrophobicContact CB-CD1 4.08Å; L134-F295 HydrophobicContact CB-CE1 4.23Å; L134-F295 HydrophobicContact CD2-CD1 3.91Å; L134-F295 HydrophobicContact CD2-CE1 3.66Å; L134-F295 HydrophobicContact CG-CD1 4.43Å; L137-F295 HydrophobicContact CD2-CE1 4.36Å; L137-F295 HydrophobicContact CD2-CZ 3.99Å; T138-F295 HydrophobicContact CG2-CD1 4.02Å; T138-F295 HydrophobicContact CG2-CD2 4.19Å; T138-F295 HydrophobicContact CG2-CE1 3.63Å; T138-F295 HydrophobicContact CG2-CE2 3.88Å; T138-F295 HydrophobicContact CG2-CG 4.28Å; T138-F295 HydrophobicContact CG2-CZ 3.57Å; W141-F295 AromaticContact CH2-CE2 3.48Å; W141-F295 HydrophobicContact CH2-CE2 3.48Å; W141-F295 VanDerWaalsContact CH2-CE2 3.48Å; W141-F295 AromaticContact CH2-CZ 3.4Å; W141-F295 HydrophobicContact CH2-CZ 3.4Å; W141-F295 HydrophobicContact CZ2-CZ 4.47Å; W141-F295 AromaticContact CZ3-CE2 3.35Å; W141-F295 HydrophobicContact CZ3-CE2 3.35Å; W141-F295 AromaticContact CZ3-CZ 3.47Å; W141-F295 HydrophobicContact CZ3-CZ 3.47Å; W141-F295 VanDerWaalsContact CZ3-CZ 3.47Å; F259-F295 HydrophobicContact CE1-CB 4.34Å; F259-F295 HydrophobicContact CE2-CB 4.4Å; F259-F295 HydrophobicContact CZ-CB 3.64Å; F259-F295 HydrophobicContact CZ-CD1 4.18Å; F259-F295 HydrophobicContact CZ-CG 4.2Å; C273-F295 VanDerWaalsContact SG-CD2 3.51Å; A274-F295 VanDerWaalsContact O-CA 3.3Å; A274-F295 WeakPolarHBondContact O-CA 3.45Å; A274-F295 WeakPolarHBondContact O-CB 3.33Å
296A97.7Very high96Very high23 Ų2322.2 Ų22.219%0.1914%0.142CC..EExtended strand (participates in β ladder)trans-138.1154.2170.800000111.5Q117 L118 A274Q117-A296 HydrophobicContact CG-CB 3.9Å; Q117-A296 VanDerWaalsContact OE1-CB 3.29Å; L118-A296 CarbonylContact O-C 3.55Å; L118-A296 WeakPolarHBondContact O-CA 3.22Å; A274-A296 PolarHBondContact N-O 3.06Å; A274-A296 VanDerWaalsContact N-O 3.09Å; A274-A296 PolarHBondContact O-N 3.12Å
297M96.7Very high95.8Very high4 Ų424.3 Ų24.32%0.0214%0.137CC..EExtended strand (participates in β ladder)trans-142.6141.7176.563.9-179.6-55.600112.2Q117 L118 W141 W142 V272 C273 L302Q117-M297 VanDerWaalsContact CA-O 3.31Å; Q117-M297 WeakPolarHBondContact CA-O 3.39Å; L118-M297 HydrophobicContact CB-CG 4.23Å; L118-M297 PolarHBondContact N-O 3.21Å; L118-M297 PolarHBondContact O-N 3.41Å; W141-M297 HydrophobicContact CE3-SD 3.97Å; W141-M297 HydrophobicContact CH2-SD 4.4Å; W141-M297 HydrophobicContact CZ3-SD 3.59Å; W141-M297 VanDerWaalsContact CZ3-SD 3.59Å; W142-M297 HydrophobicContact CH2-CE 3.66Å; W142-M297 HydrophobicContact CH2-SD 4.25Å; W142-M297 HydrophobicContact CZ3-CE 3.91Å; V272-M297 WeakPolarHBondContact O-CB 3.43Å; C273-M297 HydrophobicContact CB-CB 3.9Å; M297-L302 HydrophobicContact CE-CB 3.75Å; M297-L302 HydrophobicContact CE-CD1 3.78Å; M297-L302 HydrophobicContact CE-CD2 3.27Å; M297-L302 HydrophobicContact CE-CG 3.76Å; M297-L302 HydrophobicContact SD-CD2 4.37Å
298G95.2Very high95.7Very high22 Ų2226.5 Ų26.523%0.22715%0.153CC..EExtended strand (participates in β ladder)trans-81.3121.117300000110.8H116 R301 L302H116-G298 CarbonylContact O-C 3.47Å; H116-G298 WeakPolarHBondContact O-CA 3.42Å; G298-R301 PolarHBondContact O-N 2.65Å; G298-L302 PolarHBondContact O-N 3.16Å
299L96.4Very high95.6Very high2 Ų220.3 Ų20.31%0.0113%0.133CC..Hα-helixtrans-70.7-33.3-176.1-63.8-177.2000112.3W12 E16 L19 I98 H116 L118 R301 L302 V303W12-L299 HydrophobicContact CE3-CB 4.22Å; W12-L299 HydrophobicContact CE3-CD1 4.46Å; W12-L299 HydrophobicContact CH2-CB 3.71Å; W12-L299 HydrophobicContact CZ3-CB 3.4Å; W12-L299 HydrophobicContact CZ3-CD1 3.96Å; W12-L299 HydrophobicContact CZ3-CG 4.34Å; E16-L299 HydrophobicContact CG-CD1 4.4Å; L19-L299 HydrophobicContact CD1-CD2 3.89Å; I98-L299 HydrophobicContact CD1-CD1 3.62Å; I98-L299 HydrophobicContact CG1-CD1 3.82Å; H116-L299 HydrophobicContact CB-CB 4.11Å; H116-L299 HydrophobicContact CB-CD1 3.97Å; H116-L299 HydrophobicContact CB-CG 4.3Å; H116-L299 PolarHBondContact O-N 3.37Å; L118-L299 HydrophobicContact CB-CD2 3.97Å; L118-L299 HydrophobicContact CB-CG 4.46Å; L299-R301 VanDerWaalsContact C-N 3.26Å; L299-R301 PolarHBondContact O-N 3.22Å; L299-L302 HydrophobicContact CD2-CD2 4.47Å; L299-L302 PolarHBondContact O-N 3.25Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.09Å
300E93.9Very high95.5Very high6 Ų618.4 Ų18.43%0.02811%0.113CC..Hα-helixtrans-55.1-45.3173.9-75.379.7-175.600111.9Y4 W12 Y112 F115 H116 L304Y4-E300 WeakPolarHBondContact OH-CG 3.29Å; Y4-E300 PolarHBondContact OH-OE1 2.83Å; W12-E300 HydrophobicContact CH2-CG 3.85Å; W12-E300 WeakPolarHBondContact CH2-OE1 3.41Å; W12-E300 HydrophobicContact CZ2-CG 3.89Å; Y112-E300 HydrophobicContact CD2-CB 4.5Å; Y112-E300 HydrophobicContact CD2-CG 3.85Å; Y112-E300 HydrophobicContact CE2-CB 4.28Å; Y112-E300 HydrophobicContact CE2-CG 3.85Å; F115-E300 WeakPolarHBondContact CA-OE1 3.39Å; F115-E300 WeakPolarHBondContact CB-OE2 3.14Å; H116-E300 IonicContact CE1-OE1 2.6Å; H116-E300 IonicContact CG-OE1 3.93Å; H116-E300 VanDerWaalsContact N-CD 3.27Å; H116-E300 PolarHBondContact N-OE1 3.27Å; H116-E300 PolarHBondContact N-OE2 2.91Å; H116-E300 IonicContact ND1-OE1 3.62Å; H116-E300 PolarHBondContact ND1-OE1 3.29Å; E300-L304 WeakPolarHBondContact O-CB 3.34Å; E300-L304 VanDerWaalsContact O-CG 3.25Å; E300-L304 WeakPolarHBondContact O-CG 3.49Å; E300-L304 PolarHBondContact O-N 3.32Å
301R92.4Very high95Very high27 Ų2721.5 Ų21.510%0.10213%0.133CC..Hα-helixtrans-69.7-39.6-179.9-174.7167.4-71.8162.7-0.4111.4R111 L266 T271 G298 L299 L304 L305R111-R301 VanDerWaalsContact CG-NH2 3.31Å; L266-R301 HydrophobicContact CD1-CG 3.52Å; T271-R301 WeakPolarHBondContact O-CD 3.1Å; T271-R301 PolarHBondContact O-NH1 2.96Å; G298-R301 PolarHBondContact O-N 2.65Å; L299-R301 VanDerWaalsContact C-N 3.26Å; L299-R301 PolarHBondContact O-N 3.22Å; R301-L304 PolarHBondContact O-N 3.3Å; R301-L305 WeakPolarHBondContact O-CB 3.47Å; R301-L305 PolarHBondContact O-N 3.41Å
302L95.9Very high94.6Very high0 Ų027.5 Ų27.50%016%0.159CC..Hα-helixtrans-61.4-47.3175.7-177.562.9000111.6I15 L19 W142 L145 I147 V272 M297 G298 L299 L304 L305 V306I15-L302 HydrophobicContact CG2-CD2 3.69Å; I15-L302 HydrophobicContact CG2-CG 4.39Å; L19-L302 HydrophobicContact CD1-CD2 3.84Å; L19-L302 HydrophobicContact CD2-CD2 4.26Å; W142-L302 HydrophobicContact CE3-CD1 4.37Å; W142-L302 HydrophobicContact CH2-CD1 4.45Å; W142-L302 HydrophobicContact CZ3-CD1 3.63Å; L145-L302 HydrophobicContact CD1-CD1 3.88Å; L145-L302 HydrophobicContact CD1-CD2 3.87Å; L145-L302 HydrophobicContact CD1-CG 4.18Å; I147-L302 HydrophobicContact CD1-CD1 3.83Å; V272-L302 HydrophobicContact CG1-CD1 4.18Å; M297-L302 HydrophobicContact CE-CB 3.75Å; M297-L302 HydrophobicContact CE-CD1 3.78Å; M297-L302 HydrophobicContact CE-CD2 3.27Å; M297-L302 HydrophobicContact CE-CG 3.76Å; M297-L302 HydrophobicContact SD-CD2 4.37Å; G298-L302 PolarHBondContact O-N 3.16Å; L299-L302 HydrophobicContact CD2-CD2 4.47Å; L299-L302 PolarHBondContact O-N 3.25Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.04Å; L302-L305 PolarHBondContact O-N 2.9Å; L302-V306 HydrophobicContact CD1-CG2 4.33Å; L302-V306 HydrophobicContact CG-CG2 4.45Å; L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 3.03Å
303V94.9Very high94.2Very high6 Ų628.2 Ų28.24%0.03616%0.162CC..Hα-helixtrans-59.4-46.6178.3172.70000110.2I11 W12 I15 L299 L305 V306 Q307I11-V303 HydrophobicContact CG2-CG1 4.04Å; W12-V303 HydrophobicContact CD2-CG2 3.87Å; W12-V303 HydrophobicContact CE3-CG2 4.47Å; W12-V303 HydrophobicContact CG-CG2 4.06Å; W12-V303 HydrophobicContact CZ2-CG2 4.15Å; I15-V303 HydrophobicContact CD1-CB 4.26Å; I15-V303 HydrophobicContact CD1-CG2 3.75Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.09Å; V303-L305 VanDerWaalsContact C-N 3.32Å; V303-L305 PolarHBondContact O-N 3.33Å; V303-V306 PolarHBondContact O-N 3.22Å; V303-Q307 HydrophobicContact CG1-CG 4.43Å; V303-Q307 WeakPolarHBondContact O-CB 3.28Å; V303-Q307 VanDerWaalsContact O-CG 3.31Å; V303-Q307 WeakPolarHBondContact O-CG 3.45Å; V303-Q307 PolarHBondContact O-N 3.14Å
304L93.1Very high93.6Very high37 Ų3733.9 Ų33.919%0.19419%0.187CC..Hα-helixtrans-59.6-41.6176.3-74.3174.1000112.5K109 L266 E300 R301 L302 A308K109-L304 HydrophobicContact CG-CD1 3.91Å; L266-L304 HydrophobicContact CD2-CB 4.35Å; E300-L304 WeakPolarHBondContact O-CB 3.34Å; E300-L304 VanDerWaalsContact O-CG 3.25Å; E300-L304 WeakPolarHBondContact O-CG 3.49Å; E300-L304 PolarHBondContact O-N 3.32Å; R301-L304 PolarHBondContact O-N 3.3Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.04Å; L304-A308 VanDerWaalsContact O-CB 3.24Å; L304-A308 WeakPolarHBondContact O-CB 3.28Å; L304-A308 PolarHBondContact O-N 2.91Å
305L95.1Very high92.9Very high0 Ų035.6 Ų35.60%020%0.201CC..Hα-helixtrans-64.1-51.2177.3178.757.1000111.2I147 H150 V151 T263 L266 V272 R301 L302 V303 Q307 A308 V309I147-L305 HydrophobicContact CD1-CD2 3.8Å; I147-L305 HydrophobicContact CD1-CG 4.22Å; H150-L305 HydrophobicContact CB-CD1 4.49Å; V151-L305 HydrophobicContact CG1-CD2 3.79Å; T263-L305 HydrophobicContact CG2-CD1 4.18Å; T263-L305 HydrophobicContact CG2-CD2 4.26Å; L266-L305 HydrophobicContact CD1-CB 4.16Å; L266-L305 HydrophobicContact CG-CD1 4.46Å; V272-L305 HydrophobicContact CG1-CD2 4.11Å; V272-L305 HydrophobicContact CG2-CD2 3.68Å; R301-L305 WeakPolarHBondContact O-CB 3.47Å; R301-L305 PolarHBondContact O-N 3.41Å; L302-L305 PolarHBondContact O-N 2.9Å; V303-L305 VanDerWaalsContact C-N 3.32Å; V303-L305 PolarHBondContact O-N 3.33Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.16Å; L305-A308 PolarHBondContact O-N 3.44Å; L305-A308 VanDerWaalsContact O-N 3.08Å; L305-V309 HydrophobicContact CD1-CG1 3.84Å; L305-V309 HydrophobicContact CD1-CG2 4.21Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 2.85Å
306V95.4Very high92.1Very high0 Ų039.5 Ų39.50%022%0.222CC..Hα-helixtrans-56.7-46.6179.1172.40000110.7I15 L145 I147 L302 V303 A308 N310 F313I15-V306 HydrophobicContact CD1-CB 4.12Å; I15-V306 HydrophobicContact CD1-CG1 4.19Å; I15-V306 HydrophobicContact CD1-CG2 4.17Å; L145-V306 HydrophobicContact CB-CG2 4.2Å; L145-V306 HydrophobicContact CD1-CG2 4.24Å; I147-V306 HydrophobicContact CD1-CG2 4.31Å; I147-V306 HydrophobicContact CG2-CB 4.49Å; I147-V306 HydrophobicContact CG2-CG2 3.95Å; L302-V306 HydrophobicContact CD1-CG2 4.33Å; L302-V306 HydrophobicContact CG-CG2 4.45Å; L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 3.03Å; V303-V306 PolarHBondContact O-N 3.22Å; V306-A308 VanDerWaalsContact C-N 3.31Å; V306-A308 PolarHBondContact O-N 2.91Å; V306-N310 CarbonylContact O-C 3.53Å; V306-N310 WeakPolarHBondContact O-CA 3.34Å; V306-N310 PolarHBondContact O-N 3.47Å; V306-F313 HydrophobicContact CG1-CB 3.77Å; V306-F313 HydrophobicContact CG1-CD1 3.72Å; V306-F313 HydrophobicContact CG1-CD2 4.41Å; V306-F313 HydrophobicContact CG1-CE1 4.42Å; V306-F313 HydrophobicContact CG1-CG 3.71Å
307Q92.8Very high91Very high101 Ų10141.1 Ų41.147%0.47223%0.231SC..Hα-helixtrans-64.2-34.2177.8-72.3178.9-40.200113.2V303 L305V303-Q307 HydrophobicContact CG1-CG 4.43Å; V303-Q307 WeakPolarHBondContact O-CB 3.28Å; V303-Q307 VanDerWaalsContact O-CG 3.31Å; V303-Q307 WeakPolarHBondContact O-CG 3.45Å; V303-Q307 PolarHBondContact O-N 3.14Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.16Å
308A92.6Very high90.3Very high64 Ų6445 Ų4553%0.52925%0.254SS..Hα-helixtrans-74.6-38.2-178.400000112.9L304 L305 V306L304-A308 VanDerWaalsContact O-CB 3.24Å; L304-A308 WeakPolarHBondContact O-CB 3.28Å; L304-A308 PolarHBondContact O-N 2.91Å; L305-A308 PolarHBondContact O-N 3.44Å; L305-A308 VanDerWaalsContact O-N 3.08Å; V306-A308 VanDerWaalsContact C-N 3.31Å; V306-A308 PolarHBondContact O-N 2.91Å
309V93.7Very high90.1Very high30 Ų3044 Ų4418%0.18224%0.244CC..Hα-helixtrans-111.6-18.7-169.7-50.20000114.2I147 H150 L305I147-V309 HydrophobicContact CB-CG2 4.06Å; I147-V309 HydrophobicContact CG2-CG2 3.55Å; H150-V309 HydrophobicContact CB-CB 4.36Å; H150-V309 HydrophobicContact CB-CG1 4.16Å; H150-V309 HydrophobicContact CB-CG2 4.07Å; H150-V309 VanDerWaalsContact CD2-CG2 3.44Å; H150-V309 WeakPolarHBondContact CD2-CG2 3.44Å; L305-V309 HydrophobicContact CD1-CG1 3.84Å; L305-V309 HydrophobicContact CD1-CG2 4.21Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 2.85Å
310N92.5Very high89.9Confident30 Ų3045.6 Ų45.616%0.1625%0.252CS..  trans-126.673.5177.6-171-1.1000110.9L145 I147 V306 E312 F313L145-N310 PolarHBondContact O-ND2 2.8Å; I147-N310 HydrophobicContact CG2-CB 4.41Å; V306-N310 CarbonylContact O-C 3.53Å; V306-N310 WeakPolarHBondContact O-CA 3.34Å; V306-N310 PolarHBondContact O-N 3.47Å; N310-E312 PolarHBondContact O-N 2.82Å; N310-E312 VanDerWaalsContact O-N 3.12Å; N310-E312 PolarHBondContact OD1-N 3.27Å; N310-F313 HydrophobicContact CB-CB 4.23Å; N310-F313 WeakPolarHBondContact O-CB 3.18Å; N310-F313 PolarHBondContact O-N 2.93Å; N310-F313 PolarHBondContact OD1-N 3.37Å
311P88.1Confident90Very high74 Ų7445.3 Ų45.348%0.48125%0.251SS..THydrogen-bonded Turntrans-62.5-19179.926.4-35.2000113.3F313 K314P311-F313 VanDerWaalsContact C-N 3.31Å; P311-K314 WeakPolarHBondContact O-CD 3.2Å; P311-K314 WeakPolarHBondContact O-CE 3.47Å; P311-K314 PolarHBondContact O-NZ 2.95Å
312E87.9Confident90.3Very high147 Ų14744.4 Ų44.469%0.68725%0.248SC*.THydrogen-bonded Turntrans-77.6-14.9175.6-62.4-53.3125.600112.9N310 K314N310-E312 PolarHBondContact O-N 2.82Å; N310-E312 VanDerWaalsContact O-N 3.12Å; N310-E312 PolarHBondContact OD1-N 3.27Å; E312-K314 PolarHBondContact O-N 3.2Å
313F88.7Confident90.4Very high16 Ų1644.4 Ų44.47%0.0725%0.248CC..  trans-73.479.6169.8-158.5-80.2000109.7I11 R14 I15 L145 V306 N310 P311I11-F313 HydrophobicContact CD1-CD1 3.56Å; I11-F313 HydrophobicContact CD1-CE1 3.93Å; I11-F313 VanDerWaalsContact CD1-O 3.31Å; I11-F313 WeakPolarHBondContact CD1-O 3.48Å; R14-F313 HydrophobicContact CB-CE1 4.18Å; R14-F313 HydrophobicContact CG-CE1 3.74Å; R14-F313 HydrophobicContact CG-CZ 3.8Å; I15-F313 HydrophobicContact CD1-CE1 4.49Å; I15-F313 HydrophobicContact CG1-CD1 4.45Å; I15-F313 HydrophobicContact CG1-CE1 3.65Å; I15-F313 HydrophobicContact CG1-CZ 4.13Å; L145-F313 HydrophobicContact CD2-CE2 3.86Å; L145-F313 HydrophobicContact CD2-CZ 3.75Å; V306-F313 HydrophobicContact CG1-CB 3.77Å; V306-F313 HydrophobicContact CG1-CD1 3.72Å; V306-F313 HydrophobicContact CG1-CD2 4.41Å; V306-F313 HydrophobicContact CG1-CE1 4.42Å; V306-F313 HydrophobicContact CG1-CG 3.71Å; N310-F313 HydrophobicContact CB-CB 4.23Å; N310-F313 WeakPolarHBondContact O-CB 3.18Å; N310-F313 PolarHBondContact O-N 2.93Å; N310-F313 PolarHBondContact OD1-N 3.37Å; P311-F313 VanDerWaalsContact C-N 3.31Å
314K85.4Confident90.5Very high120 Ų12044.1 Ų44.152%0.52225%0.246SC..PPolyproline II helixtrans-81.2155.9178.9-58.2-55.5-173.4-166.90112.1R14 P311 E312R14-K314 WeakPolarHBondContact CD-O 3.4Å; R14-K314 PolarHBondContact NH1-O 3.44Å; P311-K314 WeakPolarHBondContact O-CD 3.2Å; P311-K314 WeakPolarHBondContact O-CE 3.47Å; P311-K314 PolarHBondContact O-NZ 2.95Å; E312-K314 PolarHBondContact O-N 3.2Å
315A85.2Confident90.6Very high38 Ų3842.4 Ų42.431%0.31424%0.238SC..PPolyproline II helixtrans-64153.1166.700000110.6A10 I11A10-A315 HydrophobicContact CB-CB 3.59Å; I11-A315 HydrophobicContact CB-CB 4.48Å
316D80.2Confident90.6Very high83 Ų8344 Ų4444%0.44425%0.248SC..PPolyproline II helixtrans-62145.1168.7-69.6-24000109.5V318D316-V318 PolarHBondContact O-N 2.86Å
317P75.8Confident90.4Very high57 Ų5746 Ų4637%0.3727%0.269SS..PPolyproline II helixtrans-58.1142.1174.325.1-32.9000110.1V319 K349P317-V319 PolarHBondContact O-N 3.49Å; P317-K349 WeakPolarHBondContact O-CD 3.45Å; P317-K349 PolarHBondContact O-NZ 3.35Å
318V81.2Confident90.2Very high85 Ų8544.3 Ų44.352%0.51527%0.273SS..SBendtrans-68.4-31.1177.4-178.70000110.4D316 K349 W369D316-V318 PolarHBondContact O-N 2.86Å; V318-K349 WeakPolarHBondContact O-CB 3.25Å; V318-K349 VanDerWaalsContact O-CD 3.29Å; V318-K349 WeakPolarHBondContact O-CD 3.46Å; V318-W369 HydrophobicContact CG1-CE3 4.3Å; V318-W369 HydrophobicContact CG1-CZ3 4.38Å
319V91.8Very high89.9Confident2 Ų248 Ų481%0.01228%0.283CS..  trans-131128-178.2179.90000108.9P317 I321 Y322 M351 W369 A371P317-V319 PolarHBondContact O-N 3.49Å; V319-I321 VanDerWaalsContact CG1-C 3.48Å; V319-I321 WeakPolarHBondContact CG1-O 3.37Å; V319-Y322 HydrophobicContact CG1-CD2 4.34Å; V319-M351 HydrophobicContact CB-CB 4.48Å; V319-M351 HydrophobicContact CG1-CB 3.82Å; V319-M351 HydrophobicContact CG2-CB 3.75Å; V319-M351 HydrophobicContact CG2-CE 3.69Å; V319-M351 HydrophobicContact CG2-SD 4.06Å; V319-W369 HydrophobicContact CB-CB 4.26Å; V319-W369 HydrophobicContact CG2-CB 3.93Å; V319-W369 HydrophobicContact CG2-CG 4.4Å; V319-A371 HydrophobicContact CB-CB 4.43Å; V319-A371 HydrophobicContact CG1-CB 3.97Å; V319-A371 WeakPolarHBondContact O-CA 3.44Å
320D92.6Very high89.9Confident34 Ų3446.8 Ų46.818%0.18228%0.276CS..SBendtrans-85.3-45.3170.5-63.1-56.1000110V348 K349 R372 V373D320-V348 HydrophobicContact CB-CG1 3.95Å; D320-K349 PolarHBondContact N-O 2.79Å; D320-K349 WeakPolarHBondContact OD2-CB 3.22Å; D320-K349 WeakPolarHBondContact OD2-CG 3.33Å; D320-K349 PolarHBondContact OD2-N 2.8Å; D320-R372 PolarHBondContact O-N 3.38Å; D320-V373 PolarHBondContact O-N 2.91Å; D320-V373 VanDerWaalsContact O-N 3.12Å
321I95.6Very high89.9Confident0 Ų047.9 Ų47.90%028%0.28CS..EExtended strand (participates in β ladder)trans-125.7128.9-174.2-55.4-178.3000110.3V319 V348 K349 L350 M351 V373 V375 L409 L413V319-I321 VanDerWaalsContact CG1-C 3.48Å; V319-I321 WeakPolarHBondContact CG1-O 3.37Å; I321-V348 HydrophobicContact CD1-CG1 3.54Å; I321-V348 HydrophobicContact CG1-CG1 3.81Å; I321-K349 PolarHBondContact N-O 3.14Å; I321-K349 VanDerWaalsContact N-O 3.12Å; I321-L350 HydrophobicContact CB-CB 4.47Å; I321-L350 HydrophobicContact CB-CD1 4.48Å; I321-L350 HydrophobicContact CB-CG 4.27Å; I321-L350 HydrophobicContact CG2-CD1 4.21Å; I321-L350 HydrophobicContact CG2-CG 4.27Å; I321-L350 WeakPolarHBondContact O-CA 3.41Å; I321-M351 PolarHBondContact O-N 2.92Å; I321-V373 CarbonylContact C-O 3.57Å; I321-V373 WeakPolarHBondContact CA-O 3.49Å; I321-V373 HydrophobicContact CG1-CB 4.46Å; I321-V375 HydrophobicContact CG2-CG2 3.72Å; I321-L409 HydrophobicContact CD1-CB 4.29Å; I321-L409 HydrophobicContact CD1-CD1 3.51Å; I321-L409 HydrophobicContact CD1-CD2 3.65Å; I321-L409 HydrophobicContact CD1-CG 4.01Å; I321-L409 HydrophobicContact CG1-CD2 4.41Å; I321-L413 HydrophobicContact CD1-CD1 4.18Å
322Y97.3Very high90.1Very high8 Ų848.6 Ų48.63%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-111.4118.1172.6-158.4-92.6000111.2V319 V324 M351 N353 R365 A366 W369 V373 A374 V375V319-Y322 HydrophobicContact CG1-CD2 4.34Å; Y322-V324 HydrophobicContact CD1-CG1 3.62Å; Y322-V324 HydrophobicContact CE1-CG1 3.99Å; Y322-M351 CarbonylContact C-O 3.54Å; Y322-M351 VanDerWaalsContact CA-O 3.28Å; Y322-M351 WeakPolarHBondContact CA-O 3.47Å; Y322-M351 HydrophobicContact CD2-CB 3.91Å; Y322-M351 HydrophobicContact CD2-CG 4.08Å; Y322-M351 HydrophobicContact CD2-SD 4.22Å; Y322-M351 HydrophobicContact CE2-CB 4.11Å; Y322-M351 HydrophobicContact CE2-CG 3.73Å; Y322-M351 HydrophobicContact CE2-SD 3.64Å; Y322-N353 HydrophobicContact CE1-CB 3.78Å; Y322-N353 PolarHBondContact OH-OD1 3.2Å; Y322-R365 HydrophobicContact CE1-CB 4.3Å; Y322-A366 HydrophobicContact CD1-CB 3.48Å; Y322-A366 VanDerWaalsContact CD1-CB 3.48Å; Y322-A366 HydrophobicContact CD2-CB 4.29Å; Y322-A366 HydrophobicContact CE1-CB 4.19Å; Y322-A366 HydrophobicContact CG-CB 3.52Å; Y322-W369 AromaticContact CE2-CD1 3.73Å; Y322-V373 PolarHBondContact N-O 3.17Å; Y322-A374 CarbonylContact O-C 3.54Å; Y322-A374 WeakPolarHBondContact O-CA 3.24Å; Y322-V375 PolarHBondContact O-N 2.77Å
323L97.8Very high90.4Very high0 Ų042.6 Ų42.60%026%0.263CS..EExtended strand (participates in β ladder)trans-89.4116.3178.7-161.8170.9000109.7A325 A334 L337 A338 L350 M351 T352 N353 V375 L377L323-A325 HydrophobicContact CD2-CB 4.34Å; L323-A334 HydrophobicContact CD1-CB 4.44Å; L323-A334 VanDerWaalsContact CD1-O 3.26Å; L323-A334 WeakPolarHBondContact CD1-O 3.24Å; L323-A334 HydrophobicContact CD2-CB 3.46Å; L323-A334 VanDerWaalsContact CD2-CB 3.46Å; L323-L337 HydrophobicContact CD1-CB 4.4Å; L323-L337 HydrophobicContact CD1-CD2 4.39Å; L323-L337 HydrophobicContact CD1-CG 4.38Å; L323-A338 HydrophobicContact CD1-CB 3.91Å; L323-L350 HydrophobicContact CB-CD2 4.46Å; L323-M351 PolarHBondContact N-O 3.38Å; L323-T352 HydrophobicContact CB-CG2 4.31Å; L323-T352 HydrophobicContact CD2-CG2 4.38Å; L323-N353 PolarHBondContact O-N 3.06Å; L323-V375 CarbonylContact C-O 3.46Å; L323-V375 WeakPolarHBondContact CA-O 3.37Å; L323-V375 HydrophobicContact CG-CB 4.18Å; L323-V375 HydrophobicContact CG-CG1 4.29Å; L323-L377 HydrophobicContact CD2-CD1 4.32Å
324V97.4Very high90.7Very high0 Ų041.9 Ų41.90%026%0.259CS..EExtended strand (participates in β ladder)trans-104.1137.2176.6-56.70000110.5Y322 F359 Q362 F363 V375 V376 L377Y322-V324 HydrophobicContact CD1-CG1 3.62Å; Y322-V324 HydrophobicContact CE1-CG1 3.99Å; V324-F359 HydrophobicContact CB-CD1 4.45Å; V324-F359 HydrophobicContact CG2-CD1 4.14Å; V324-F359 HydrophobicContact CG2-CE1 4.27Å; V324-Q362 HydrophobicContact CB-CB 4.01Å; V324-Q362 VanDerWaalsContact CB-OE1 3.32Å; V324-Q362 HydrophobicContact CG1-CB 3.71Å; V324-F363 HydrophobicContact CG2-CE1 4.21Å; V324-F363 HydrophobicContact CG2-CZ 4.08Å; V324-V375 PolarHBondContact N-O 3.46Å; V324-V376 HydrophobicContact CG2-CB 3.79Å; V324-V376 HydrophobicContact CG2-CG1 3.79Å; V324-V376 HydrophobicContact CG2-CG2 3.59Å; V324-V376 WeakPolarHBondContact O-CA 3.36Å; V324-L377 PolarHBondContact O-N 2.88Å
325A96.2Very high91.2Very high2 Ų240.7 Ų40.72%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-143.4127.8-178.200000111.2L323 A334 Q362 L377L323-A325 HydrophobicContact CD2-CB 4.34Å; A325-A334 HydrophobicContact CB-CB 3.56Å; A325-Q362 PolarHBondContact O-NE2 2.78Å; A325-Q362 PolarHBondContact O-OE1 2.91Å; A325-L377 VanDerWaalsContact CA-O 3.22Å; A325-L377 WeakPolarHBondContact CA-O 3.32Å; A325-L377 HydrophobicContact CB-CB 4.37Å
326S94.9Very high91.7Very high33 Ų3341.9 Ų41.923%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-144.4126-178.8-154.80000111.2T330 G357 F359 L377 G378S326-T330 PolarHBondContact N-OG1 2.85Å; S326-G357 PolarHBondContact OG-O 3.49Å; S326-F359 VanDerWaalsContact CB-CZ 3.43Å; S326-L377 PolarHBondContact N-O 3.35Å; S326-G378 WeakPolarHBondContact O-CA 3.45Å
327G91.5Very high92.4Very high41 Ų4138 Ų3842%0.42325%0.246SC..SBendtrans136.3176.8-176.600000112.3T330 E379G327-T330 PolarHBondContact N-OG1 3.35Å; G327-T330 PolarHBondContact O-OG1 2.93Å; G327-E379 VanDerWaalsContact CA-OE1 3.29Å; G327-E379 WeakPolarHBondContact CA-OE1 3.44Å
328A87.6Confident93.4Very high67 Ų6735.3 Ų35.355%0.55423%0.229SC*.SBendtrans-65.3138.2169.800000110.6T330 E379A328-T330 WeakPolarHBondContact O-CG2 3.43Å; A328-T330 PolarHBondContact O-N 2.89Å; A328-E379 PolarHBondContact N-OE1 3.3Å
329D86.5Confident94.2Very high142 Ų14236.4 Ų36.476%0.75923%0.228SC*.SBendtrans56.3-1.2178.2-58.2-34.8000117.2Q331 S332D329-Q331 PolarHBondContact O-N 3.29Å; D329-S332 PolarHBondContact O-N 3.15Å
330T93.5Very high94.4Very high3 Ų339.4 Ų39.42%0.01824%0.239CC..Hα-helixtrans-65.4-27.5-178.763.40000112.8S326 G327 A328 A333 A334 E379 V382S326-T330 PolarHBondContact N-OG1 2.85Å; G327-T330 PolarHBondContact N-OG1 3.35Å; G327-T330 PolarHBondContact O-OG1 2.93Å; A328-T330 WeakPolarHBondContact O-CG2 3.43Å; A328-T330 PolarHBondContact O-N 2.89Å; T330-A333 PolarHBondContact O-N 3.11Å; T330-A334 WeakPolarHBondContact O-CB 3.41Å; T330-A334 PolarHBondContact O-N 3.39Å; T330-E379 HydrophobicContact CG2-CG 4.16Å; T330-V382 HydrophobicContact CG2-CG2 4.09Å
331Q93Very high94.6Very high53 Ų5338 Ų3825%0.24823%0.231CC..Hα-helixtrans-67-37.8-178.8-169.9694500112.1D329 A334 M335 N353 H354D329-Q331 PolarHBondContact O-N 3.29Å; Q331-A334 PolarHBondContact O-N 3.16Å; Q331-M335 VanDerWaalsContact O-CG 3.31Å; Q331-M335 WeakPolarHBondContact O-CG 3.29Å; Q331-M335 PolarHBondContact O-N 3.44Å; Q331-N353 PolarHBondContact NE2-O 3.17Å; Q331-N353 PolarHBondContact OE1-O 2.85Å; Q331-H354 PolarHBondContact NE2-ND1 3.29Å; Q331-H354 VanDerWaalsContact NE2-ND1 3.11Å
332S92.6Very high94.6Very high89 Ų8942.2 Ų42.262%0.62225%0.247SC*.Hα-helixtrans-68.2-46.1177.8-175.70000110.5D329 A334 M335 A336D329-S332 PolarHBondContact O-N 3.15Å; S332-A334 VanDerWaalsContact C-N 3.31Å; S332-A334 PolarHBondContact O-N 3.49Å; S332-M335 PolarHBondContact O-N 3.08Å; S332-A336 PolarHBondContact O-N 2.89Å
333A93.5Very high94.6Very high22 Ų2248.1 Ų48.118%0.18228%0.279CS..Hα-helixtrans-59.8-40.9174.500000112.2T330 A336 L337 L377 V382T330-A333 PolarHBondContact O-N 3.11Å; A333-A336 PolarHBondContact O-N 3.16Å; A333-L337 WeakPolarHBondContact O-CB 3.49Å; A333-L337 PolarHBondContact O-N 3.49Å; A333-L377 HydrophobicContact CB-CD1 4.48Å; A333-V382 HydrophobicContact CB-CB 4.49Å; A333-V382 HydrophobicContact CB-CG1 3.97Å; A333-V382 HydrophobicContact CB-CG2 3.67Å
334A95.6Very high94.5Very high0 Ų051.8 Ų51.80%030%0.297CS..Hα-helixtrans-62.5-41.7174.900000113.4L323 A325 T330 Q331 S332 A338 T352 L377L323-A334 HydrophobicContact CD1-CB 4.44Å; L323-A334 VanDerWaalsContact CD1-O 3.26Å; L323-A334 WeakPolarHBondContact CD1-O 3.24Å; L323-A334 HydrophobicContact CD2-CB 3.46Å; L323-A334 VanDerWaalsContact CD2-CB 3.46Å; A325-A334 HydrophobicContact CB-CB 3.56Å; T330-A334 WeakPolarHBondContact O-CB 3.41Å; T330-A334 PolarHBondContact O-N 3.39Å; Q331-A334 PolarHBondContact O-N 3.16Å; S332-A334 VanDerWaalsContact C-N 3.31Å; S332-A334 PolarHBondContact O-N 3.49Å; A334-A338 VanDerWaalsContact O-CB 3.23Å; A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 2.99Å; A334-T352 HydrophobicContact CB-CG2 4.42Å; A334-L377 HydrophobicContact CB-CD1 4Å
335M95.3Very high94.3Very high96 Ų9652.2 Ų52.247%0.47330%0.299SS..Hα-helixtrans-65.6-45.9175.8-72.5176.766.200111.1Q331 S332 L337 A338 E339Q331-M335 VanDerWaalsContact O-CG 3.31Å; Q331-M335 WeakPolarHBondContact O-CG 3.29Å; Q331-M335 PolarHBondContact O-N 3.44Å; S332-M335 PolarHBondContact O-N 3.08Å; M335-L337 PolarHBondContact O-N 2.95Å; M335-A338 PolarHBondContact O-N 2.88Å; M335-E339 PolarHBondContact O-N 3.09Å
336A95.4Very high94Very high63 Ų6357.4 Ų57.452%0.52133%0.332SS..Hα-helixtrans-61.9-43.6177.600000112.4S332 A333 R340S332-A336 PolarHBondContact O-N 2.89Å; A333-A336 PolarHBondContact O-N 3.16Å; A336-R340 PolarHBondContact O-N 2.92Å
337L96Very high93.7Very high1 Ų159.5 Ų59.51%0.00536%0.359CS..Hα-helixtrans-63.7-43.3174.7179.760.8000111.2L323 A333 M335 E339 R340 L341 V375 L377 A387 Q402L323-L337 HydrophobicContact CD1-CB 4.4Å; L323-L337 HydrophobicContact CD1-CD2 4.39Å; L323-L337 HydrophobicContact CD1-CG 4.38Å; A333-L337 WeakPolarHBondContact O-CB 3.49Å; A333-L337 PolarHBondContact O-N 3.49Å; M335-L337 PolarHBondContact O-N 2.95Å; L337-E339 PolarHBondContact O-N 3.12Å; L337-R340 PolarHBondContact O-N 2.78Å; L337-L341 HydrophobicContact CD1-CD1 4.12Å; L337-L341 HydrophobicContact CD1-CD2 4.34Å; L337-L341 HydrophobicContact CD1-CG 3.96Å; L337-L341 HydrophobicContact CG-CD1 3.93Å; L337-L341 HydrophobicContact CG-CG 4.2Å; L337-L341 WeakPolarHBondContact O-CB 3.45Å; L337-L341 VanDerWaalsContact O-CG 3.22Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.37Å; L337-V375 HydrophobicContact CD2-CG1 3.91Å; L337-L377 HydrophobicContact CB-CD1 4.46Å; L337-L377 HydrophobicContact CD2-CD1 3.89Å; L337-L377 HydrophobicContact CD2-CD2 4.35Å; L337-L377 HydrophobicContact CD2-CG 4.32Å; L337-A387 HydrophobicContact CD2-CB 4.28Å; L337-Q402 HydrophobicContact CD1-CB 4.35Å; L337-Q402 HydrophobicContact CD2-CG 4.47Å
338A97Very high93.7Very high1 Ų159.1 Ų59.11%0.00835%0.349CS..Hα-helixtrans-59.4-45.6178.200000112.8L323 A334 M335 L341 R342 L350 T352L323-A338 HydrophobicContact CD1-CB 3.91Å; A334-A338 VanDerWaalsContact O-CB 3.23Å; A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 2.99Å; M335-A338 PolarHBondContact O-N 2.88Å; A338-L341 PolarHBondContact O-N 2.75Å; A338-R342 WeakPolarHBondContact O-CG 3.45Å; A338-R342 PolarHBondContact O-N 3.12Å; A338-R342 PolarHBondContact O-NH1 3.19Å; A338-L350 HydrophobicContact CB-CD2 3.69Å; A338-T352 VanDerWaalsContact CB-OG1 3.3Å; A338-T352 WeakPolarHBondContact CB-OG1 3.49Å
339E97.2Very high93.9Very high108 Ų10859.9 Ų59.951%0.50534%0.339SS..Hα-helixtrans-61-50.3177.5-67.8-51.2131.600111.3M335 L337 L341 R342 D343M335-E339 PolarHBondContact O-N 3.09Å; L337-E339 PolarHBondContact O-N 3.12Å; E339-L341 VanDerWaalsContact C-N 3.3Å; E339-L341 PolarHBondContact O-N 2.98Å; E339-R342 WeakPolarHBondContact O-CB 3.3Å; E339-R342 PolarHBondContact O-N 3.13Å; E339-R342 IonicContact OE1-CZ 2.63Å; E339-R342 IonicContact OE1-NH1 3.74Å; E339-R342 PolarHBondContact OE1-NH1 3.27Å; E339-R342 IonicContact OE2-NH1 2.64Å; E339-D343 PolarHBondContact O-N 3.22Å; E339-D343 VanDerWaalsContact O-N 3.1Å
340R96.5Very high94.4Very high65 Ų6554.1 Ų54.125%0.24531%0.309CS..Hα-helixtrans-57.4-42.2176.3175.1174.946.9164.4-8.7112.8A336 L337 R342 D343 E344 D403A336-R340 PolarHBondContact O-N 2.92Å; L337-R340 PolarHBondContact O-N 2.78Å; R340-R342 VanDerWaalsContact C-N 3.28Å; R340-R342 PolarHBondContact O-N 3.01Å; R340-D343 PolarHBondContact O-N 2.88Å; R340-E344 WeakPolarHBondContact CD-OE1 3.27Å; R340-E344 HydrophobicContact CG-CG 4.42Å; R340-E344 WeakPolarHBondContact CG-OE1 3.36Å; R340-E344 WeakPolarHBondContact O-CG 3.3Å; R340-E344 PolarHBondContact O-N 3.27Å; R340-D403 IonicContact CZ-OD1 2.86Å; R340-D403 IonicContact NH1-OD1 2.87Å; R340-D403 PolarHBondContact NH1-OD1 3.28Å
341L96.7Very high94.5Very high3 Ų356.6 Ų56.62%0.01632%0.321CS..Hα-helixtrans-64.7-32.5177.1-71.2179.5000112.3L337 A338 E339 L345 L350 V405 A406 L409L337-L341 HydrophobicContact CD1-CD1 4.12Å; L337-L341 HydrophobicContact CD1-CD2 4.34Å; L337-L341 HydrophobicContact CD1-CG 3.96Å; L337-L341 HydrophobicContact CG-CD1 3.93Å; L337-L341 HydrophobicContact CG-CG 4.2Å; L337-L341 WeakPolarHBondContact O-CB 3.45Å; L337-L341 VanDerWaalsContact O-CG 3.22Å; L337-L341 WeakPolarHBondContact O-CG 3.4Å; L337-L341 PolarHBondContact O-N 3.37Å; A338-L341 PolarHBondContact O-N 2.75Å; E339-L341 VanDerWaalsContact C-N 3.3Å; E339-L341 PolarHBondContact O-N 2.98Å; L341-L345 VanDerWaalsContact O-CB 3.24Å; L341-L345 WeakPolarHBondContact O-CB 3.28Å; L341-L345 PolarHBondContact O-N 2.94Å; L341-L350 HydrophobicContact CB-CD1 3.78Å; L341-L350 HydrophobicContact CD1-CD1 3.77Å; L341-L350 HydrophobicContact CG-CD1 4.44Å; L341-V405 HydrophobicContact CD1-CG1 3.96Å; L341-V405 HydrophobicContact CD2-CB 4.16Å; L341-V405 HydrophobicContact CD2-CG1 3.85Å; L341-A406 HydrophobicContact CD2-CB 3.75Å; L341-L409 HydrophobicContact CD1-CD1 4.04Å; L341-L409 HydrophobicContact CD2-CD1 4.08Å
342R96.3Very high94.6Very high89 Ų8954.5 Ų54.534%0.33631%0.311SS..Hα-helixtrans-68.4-38.3174.4-70.3-177.3-162.7100.6-8.3111.8A338 E339 R340A338-R342 WeakPolarHBondContact O-CG 3.45Å; A338-R342 PolarHBondContact O-N 3.12Å; A338-R342 PolarHBondContact O-NH1 3.19Å; E339-R342 WeakPolarHBondContact O-CB 3.3Å; E339-R342 PolarHBondContact O-N 3.13Å; E339-R342 IonicContact OE1-CZ 2.63Å; E339-R342 IonicContact OE1-NH1 3.74Å; E339-R342 PolarHBondContact OE1-NH1 3.27Å; E339-R342 IonicContact OE2-NH1 2.64Å; R340-R342 VanDerWaalsContact C-N 3.28Å; R340-R342 PolarHBondContact O-N 3.01Å
343D96.5Very high94.7Very high132 Ų13250.2 Ų50.271%0.70628%0.282SS*.Hα-helixtrans-65.6-43.2175.2-69.5-24.9000111.7E339 R340E339-D343 PolarHBondContact O-N 3.22Å; E339-D343 VanDerWaalsContact O-N 3.1Å; R340-D343 PolarHBondContact O-N 2.88Å
344E96.2Very high94.6Very high77 Ų7754.2 Ų54.236%0.3630%0.296SS..Hα-helixtrans-82.9-18.2-175.3-67.5179.7-15100114R340 A406 R410R340-E344 WeakPolarHBondContact CD-OE1 3.27Å; R340-E344 HydrophobicContact CG-CG 4.42Å; R340-E344 WeakPolarHBondContact CG-OE1 3.36Å; R340-E344 WeakPolarHBondContact O-CG 3.3Å; R340-E344 PolarHBondContact O-N 3.27Å; E344-A406 HydrophobicContact CB-CB 3.72Å; E344-A406 HydrophobicContact CG-CB 4.47Å; E344-A406 WeakPolarHBondContact OE2-CB 3.44Å; E344-R410 PolarHBondContact O-NH2 3.42Å
345L93.2Very high94.2Very high9 Ų958 Ų585%0.04734%0.336CS..SBendtrans-127.865.5-178.6-57.7173.5000112.1L341 G347 V348 A406 L409 R410L341-L345 VanDerWaalsContact O-CB 3.24Å; L341-L345 WeakPolarHBondContact O-CB 3.28Å; L341-L345 PolarHBondContact O-N 2.94Å; L345-G347 PolarHBondContact O-N 3.46Å; L345-V348 HydrophobicContact CB-CB 4.07Å; L345-V348 HydrophobicContact CB-CG2 3.81Å; L345-V348 WeakPolarHBondContact O-CB 3.44Å; L345-V348 PolarHBondContact O-N 3.23Å; L345-V348 VanDerWaalsContact O-N 3.16Å; L345-A406 HydrophobicContact CD1-CB 4.33Å; L345-A406 HydrophobicContact CD2-CB 4.37Å; L345-A406 HydrophobicContact CG-CB 4.14Å; L345-L409 HydrophobicContact CD1-CB 3.81Å; L345-L409 HydrophobicContact CD1-CD1 3.82Å; L345-R410 HydrophobicContact CD2-CB 3.94Å
346P89.3Confident93.7Very high111 Ų11154.9 Ų54.972%0.72133%0.328SS*.THydrogen-bonded Turntrans-58.1132.8177.824.9-34.1000111
347G87.5Confident93.4Very high77 Ų7753.9 Ų53.979%0.79432%0.323SS*.THydrogen-bonded Turntrans89.4-6.9-179.400000115.5L345L345-G347 PolarHBondContact O-N 3.46Å
348V91.6Very high93.2Very high34 Ų3457.8 Ų57.821%0.20634%0.344CS..  trans-82.5128.3172.3177.30000110.4D320 I321 L345 L350 L413D320-V348 HydrophobicContact CB-CG1 3.95Å; I321-V348 HydrophobicContact CD1-CG1 3.54Å; I321-V348 HydrophobicContact CG1-CG1 3.81Å; L345-V348 HydrophobicContact CB-CB 4.07Å; L345-V348 HydrophobicContact CB-CG2 3.81Å; L345-V348 WeakPolarHBondContact O-CB 3.44Å; L345-V348 PolarHBondContact O-N 3.23Å; L345-V348 VanDerWaalsContact O-N 3.16Å; V348-L350 PolarHBondContact O-N 3.4Å; V348-L413 HydrophobicContact CB-CD1 4.5Å; V348-L413 HydrophobicContact CG1-CD1 3.91Å; V348-L413 HydrophobicContact CG2-CD1 3.67Å
349K93.1Very high93.1Very high82 Ų8260.8 Ų60.836%0.35736%0.358SS..  trans-8495.6179.8-54175.2-148.3178.10109.7P317 V318 D320 I321P317-K349 WeakPolarHBondContact O-CD 3.45Å; P317-K349 PolarHBondContact O-NZ 3.35Å; V318-K349 WeakPolarHBondContact O-CB 3.25Å; V318-K349 VanDerWaalsContact O-CD 3.29Å; V318-K349 WeakPolarHBondContact O-CD 3.46Å; D320-K349 PolarHBondContact N-O 2.79Å; D320-K349 WeakPolarHBondContact OD2-CB 3.22Å; D320-K349 WeakPolarHBondContact OD2-CG 3.33Å; D320-K349 PolarHBondContact OD2-N 2.8Å; I321-K349 PolarHBondContact N-O 3.14Å; I321-K349 VanDerWaalsContact N-O 3.12Å
350L95.7Very high93Very high21 Ų2164.1 Ų64.111%0.1137%0.37CS..EExtended strand (participates in β ladder)trans-101.5123.7179.5-171.9155.8000111.8I321 L323 A338 L341 V348I321-L350 HydrophobicContact CB-CB 4.47Å; I321-L350 HydrophobicContact CB-CD1 4.48Å; I321-L350 HydrophobicContact CB-CG 4.27Å; I321-L350 HydrophobicContact CG2-CD1 4.21Å; I321-L350 HydrophobicContact CG2-CG 4.27Å; I321-L350 WeakPolarHBondContact O-CA 3.41Å; L323-L350 HydrophobicContact CB-CD2 4.46Å; A338-L350 HydrophobicContact CB-CD2 3.69Å; L341-L350 HydrophobicContact CB-CD1 3.78Å; L341-L350 HydrophobicContact CD1-CD1 3.77Å; L341-L350 HydrophobicContact CG-CD1 4.44Å; V348-L350 PolarHBondContact O-N 3.4Å
351M95.8Very high92.9Very high56 Ų5667.5 Ų67.528%0.27639%0.387SS..EExtended strand (participates in β ladder)trans-114.3129.1173.3-174.5176.1-72.600110.8V319 I321 Y322 L323 W369V319-M351 HydrophobicContact CB-CB 4.48Å; V319-M351 HydrophobicContact CG1-CB 3.82Å; V319-M351 HydrophobicContact CG2-CB 3.75Å; V319-M351 HydrophobicContact CG2-CE 3.69Å; V319-M351 HydrophobicContact CG2-SD 4.06Å; I321-M351 PolarHBondContact O-N 2.92Å; Y322-M351 CarbonylContact C-O 3.54Å; Y322-M351 VanDerWaalsContact CA-O 3.28Å; Y322-M351 WeakPolarHBondContact CA-O 3.47Å; Y322-M351 HydrophobicContact CD2-CB 3.91Å; Y322-M351 HydrophobicContact CD2-CG 4.08Å; Y322-M351 HydrophobicContact CD2-SD 4.22Å; Y322-M351 HydrophobicContact CE2-CB 4.11Å; Y322-M351 HydrophobicContact CE2-CG 3.73Å; Y322-M351 HydrophobicContact CE2-SD 3.64Å; L323-M351 PolarHBondContact N-O 3.38Å; M351-W369 HydrophobicContact CE-CD2 4.17Å; M351-W369 HydrophobicContact CE-CE3 4.38Å; M351-W369 HydrophobicContact CE-CZ2 4.43Å; M351-W369 HydrophobicContact SD-CD2 4.06Å; M351-W369 HydrophobicContact SD-CG 4Å; M351-W369 HydrophobicContact SD-CZ2 4.5Å
352T95.8Very high92.9Very high8 Ų867.4 Ų67.45%0.04939%0.386CS..EExtended strand (participates in β ladder)trans-96.7137.3177.2-52.60000110.1L323 A334 A338 H354L323-T352 HydrophobicContact CB-CG2 4.31Å; L323-T352 HydrophobicContact CD2-CG2 4.38Å; A334-T352 HydrophobicContact CB-CG2 4.42Å; A338-T352 VanDerWaalsContact CB-OG1 3.3Å; A338-T352 WeakPolarHBondContact CB-OG1 3.49Å; T352-H354 PolarHBondContact O-CD2 3.34Å; T352-H354 PolarHBondContact O-N 3.08Å
353N94.6Very high92.9Very high0 Ų065.6 Ų65.60%038%0.381CS..  trans-66.8129.4170.4-176.977.8000110.2Y322 L323 Q331 G356 Q362 R365Y322-N353 HydrophobicContact CE1-CB 3.78Å; Y322-N353 PolarHBondContact OH-OD1 3.2Å; L323-N353 PolarHBondContact O-N 3.06Å; Q331-N353 PolarHBondContact NE2-O 3.17Å; Q331-N353 PolarHBondContact OE1-O 2.85Å; N353-G356 PolarHBondContact ND2-O 3.26Å; N353-G356 VanDerWaalsContact ND2-O 3.08Å; N353-Q362 HydrophobicContact CB-CG 4.27Å; N353-Q362 VanDerWaalsContact CG-CD 3.42Å; N353-Q362 WeakPolarHBondContact ND2-CG 3.47Å; N353-Q362 PolarHBondContact ND2-NE2 2.66Å; N353-Q362 PolarHBondContact ND2-OE1 3.13Å; N353-R365 WeakPolarHBondContact OD1-CD 3.26Å; N353-R365 PolarHBondContact OD1-NH1 2.8Å
354H90.6Very high92.7Very high105 Ų10562.3 Ų62.349%0.48637%0.372SS..  trans-122.4159173.1-61.9-58.4000110.9Q331 T352 R365Q331-H354 PolarHBondContact NE2-ND1 3.29Å; Q331-H354 VanDerWaalsContact NE2-ND1 3.11Å; T352-H354 PolarHBondContact O-CD2 3.34Å; T352-H354 PolarHBondContact O-N 3.08Å; H354-R365 PolarHBondContact O-NH1 2.83Å
355G87.7Confident92.6Very high81 Ų8163.6 Ų63.684%0.83537%0.373SS*.SBendtrans8017-178.700000114.6
356G85.4Confident92.7Very high30 Ų3063.1 Ų63.131%0.30937%0.371SS..  trans65.9-147.1176.600000114.1N353N353-G356 PolarHBondContact ND2-O 3.26Å; N353-G356 VanDerWaalsContact ND2-O 3.08Å
357G88Confident92.8Very high41 Ų4163 Ų6342%0.42336%0.364SS..  trans97.4157.8-17300000112.8S326 Q362S326-G357 PolarHBondContact OG-O 3.49Å; G357-Q362 PolarHBondContact O-NE2 3.3Å
358N92.5Very high93Very high83 Ų8367.6 Ų67.644%0.44436%0.362SS..  trans-72.4160.8176.664.731000111.8K360 K361 Q362N358-K360 PolarHBondContact O-N 3.19Å; N358-K360 VanDerWaalsContact O-N 3.14Å; N358-K360 WeakPolarHBondContact OD1-CB 3.48Å; N358-K360 PolarHBondContact OD1-N 3.1Å; N358-K361 PolarHBondContact O-N 3.04Å; N358-K361 PolarHBondContact OD1-N 3.49Å; N358-Q362 WeakPolarHBondContact O-CG 3.41Å; N358-Q362 PolarHBondContact O-N 2.97Å
359F95Very high92.9Very high65 Ų6571.3 Ų71.329%0.28537%0.373SS..Hα-helixtrans-51.4-39.7179.5-72.9-57.3000113.5V324 S326 K361 Q362 F363 V376V324-F359 HydrophobicContact CB-CD1 4.45Å; V324-F359 HydrophobicContact CG2-CD1 4.14Å; V324-F359 HydrophobicContact CG2-CE1 4.27Å; S326-F359 VanDerWaalsContact CB-CZ 3.43Å; F359-K361 VanDerWaalsContact C-N 3.35Å; F359-K361 PolarHBondContact O-N 3.09Å; F359-Q362 PolarHBondContact O-N 3.44Å; F359-Q362 VanDerWaalsContact O-N 3.09Å; F359-F363 HydrophobicContact CB-CD2 4.1Å; F359-F363 HydrophobicContact CB-CE2 3.96Å; F359-F363 HydrophobicContact CD1-CE2 4.47Å; F359-F363 HydrophobicContact CG-CE2 4.49Å; F359-F363 WeakPolarHBondContact O-CD2 3.46Å; F359-F363 PolarHBondContact O-N 3.43Å; F359-V376 HydrophobicContact CD1-CG1 4.17Å; F359-V376 HydrophobicContact CE1-CG1 3.62Å; F359-V376 HydrophobicContact CZ-CG1 4.04Å
360K94.4Very high92.7Very high178 Ų17868.6 Ų68.677%0.77437%0.368SS*.Hα-helixtrans-55.8-46.4178.3-176.7177.7179.8176.60112.2N358 A364N358-K360 PolarHBondContact O-N 3.19Å; N358-K360 VanDerWaalsContact O-N 3.14Å; N358-K360 WeakPolarHBondContact OD1-CB 3.48Å; N358-K360 PolarHBondContact OD1-N 3.1Å; K360-A364 PolarHBondContact O-N 2.82Å
361K94.7Very high92.6Very high136 Ų13667.6 Ų67.659%0.59136%0.362SS*.Hα-helixtrans-68.1-35.9177.1-72-177-178.8-178.80112.1N358 F359 A364 R365N358-K361 PolarHBondContact O-N 3.04Å; N358-K361 PolarHBondContact OD1-N 3.49Å; F359-K361 VanDerWaalsContact C-N 3.35Å; F359-K361 PolarHBondContact O-N 3.09Å; K361-A364 PolarHBondContact O-N 2.94Å; K361-R365 WeakPolarHBondContact O-CG 3.24Å; K361-R365 PolarHBondContact O-N 3.17Å; K361-R365 VanDerWaalsContact O-N 3.13Å
362Q96.5Very high92.4Very high0 Ų067.6 Ų67.60%036%0.359CS..Hα-helixtrans-72.2-41.4-179.6-58.8-169.727.200112.2V324 A325 N353 G357 N358 F359 A364 R365 A366V324-Q362 HydrophobicContact CB-CB 4.01Å; V324-Q362 VanDerWaalsContact CB-OE1 3.32Å; V324-Q362 HydrophobicContact CG1-CB 3.71Å; A325-Q362 PolarHBondContact O-NE2 2.78Å; A325-Q362 PolarHBondContact O-OE1 2.91Å; N353-Q362 HydrophobicContact CB-CG 4.27Å; N353-Q362 VanDerWaalsContact CG-CD 3.42Å; N353-Q362 WeakPolarHBondContact ND2-CG 3.47Å; N353-Q362 PolarHBondContact ND2-NE2 2.66Å; N353-Q362 PolarHBondContact ND2-OE1 3.13Å; G357-Q362 PolarHBondContact O-NE2 3.3Å; N358-Q362 WeakPolarHBondContact O-CG 3.41Å; N358-Q362 PolarHBondContact O-N 2.97Å; F359-Q362 PolarHBondContact O-N 3.44Å; F359-Q362 VanDerWaalsContact O-N 3.09Å; Q362-A364 VanDerWaalsContact C-N 3.32Å; Q362-A364 PolarHBondContact O-N 2.92Å; Q362-R365 WeakPolarHBondContact O-CB 2.99Å; Q362-R365 PolarHBondContact O-N 3.15Å; Q362-R365 VanDerWaalsContact O-N 3.1Å; Q362-A366 PolarHBondContact O-N 3.38Å
363F95.8Very high92.3Very high52 Ų5267.2 Ų67.223%0.22836%0.357CS..Hα-helixtrans-62.6-38.6172.5-76.6-62.8000112V324 F359 R365 A366 D367 A374 V376 K390 L392V324-F363 HydrophobicContact CG2-CE1 4.21Å; V324-F363 HydrophobicContact CG2-CZ 4.08Å; F359-F363 HydrophobicContact CB-CD2 4.1Å; F359-F363 HydrophobicContact CB-CE2 3.96Å; F359-F363 HydrophobicContact CD1-CE2 4.47Å; F359-F363 HydrophobicContact CG-CE2 4.49Å; F359-F363 WeakPolarHBondContact O-CD2 3.46Å; F359-F363 PolarHBondContact O-N 3.43Å; F363-R365 VanDerWaalsContact C-N 3.27Å; F363-R365 PolarHBondContact O-N 3.29Å; F363-A366 WeakPolarHBondContact O-CB 3.08Å; F363-A366 PolarHBondContact O-N 3.3Å; F363-D367 WeakPolarHBondContact O-CB 3.36Å; F363-D367 PolarHBondContact O-N 3.46Å; F363-A374 HydrophobicContact CD1-CB 4.21Å; F363-A374 HydrophobicContact CE1-CB 3.71Å; F363-V376 HydrophobicContact CE1-CG2 4.1Å; F363-V376 HydrophobicContact CZ-CG2 3.69Å; F363-K390 HydrophobicContact CE1-CD 4.13Å; F363-K390 HydrophobicContact CZ-CD 4.36Å; F363-L392 HydrophobicContact CD1-CD2 4.09Å; F363-L392 HydrophobicContact CE1-CD2 4.38Å
364A93.9Very high92.5Very high62 Ų6267.2 Ų67.251%0.51236%0.357SS..Hα-helixtrans-62.7-33.3173.200000112.6K360 K361 Q362 K368K360-A364 PolarHBondContact O-N 2.82Å; K361-A364 PolarHBondContact O-N 2.94Å; Q362-A364 VanDerWaalsContact C-N 3.32Å; Q362-A364 PolarHBondContact O-N 2.92Å; A364-K368 WeakPolarHBondContact O-CB 2.99Å; A364-K368 PolarHBondContact O-N 3.28Å
365R93.9Very high92.8Very high104 Ų10462.2 Ų62.239%0.39233%0.334SS..Hα-helixtrans-70.7-43.3172.2-70.7172.9178.2-179.8-3.7111.7Y322 N353 H354 K361 Q362 F363 D367 K368 W369Y322-R365 HydrophobicContact CE1-CB 4.3Å; N353-R365 WeakPolarHBondContact OD1-CD 3.26Å; N353-R365 PolarHBondContact OD1-NH1 2.8Å; H354-R365 PolarHBondContact O-NH1 2.83Å; K361-R365 WeakPolarHBondContact O-CG 3.24Å; K361-R365 PolarHBondContact O-N 3.17Å; K361-R365 VanDerWaalsContact O-N 3.13Å; Q362-R365 WeakPolarHBondContact O-CB 2.99Å; Q362-R365 PolarHBondContact O-N 3.15Å; Q362-R365 VanDerWaalsContact O-N 3.1Å; F363-R365 VanDerWaalsContact C-N 3.27Å; F363-R365 PolarHBondContact O-N 3.29Å; R365-D367 VanDerWaalsContact C-N 3.29Å; R365-D367 PolarHBondContact O-N 3.23Å; R365-K368 PolarHBondContact O-N 3.35Å; R365-W369 PolarHBondContact O-N 2.64Å
366A94.6Very high93.3Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-55.2-47.517600000111.3Y322 Q362 F363 W369 G370 A371 L392Y322-A366 HydrophobicContact CD1-CB 3.48Å; Y322-A366 VanDerWaalsContact CD1-CB 3.48Å; Y322-A366 HydrophobicContact CD2-CB 4.29Å; Y322-A366 HydrophobicContact CE1-CB 4.19Å; Y322-A366 HydrophobicContact CG-CB 3.52Å; Q362-A366 PolarHBondContact O-N 3.38Å; F363-A366 WeakPolarHBondContact O-CB 3.08Å; F363-A366 PolarHBondContact O-N 3.3Å; A366-W369 PolarHBondContact O-N 2.91Å; A366-G370 PolarHBondContact O-N 3.3Å; A366-A371 HydrophobicContact CB-CB 4.37Å; A366-A371 WeakPolarHBondContact O-CB 3.44Å; A366-A371 PolarHBondContact O-N 3.4Å; A366-L392 HydrophobicContact CB-CD1 3.88Å
367D92.1Very high93.8Very high108 Ų10857.6 Ų57.658%0.57828%0.284SS*.Hα-helixtrans-63-46176.8-173.460.4000112.1F363 R365 W369 G370F363-D367 WeakPolarHBondContact O-CB 3.36Å; F363-D367 PolarHBondContact O-N 3.46Å; R365-D367 VanDerWaalsContact C-N 3.29Å; R365-D367 PolarHBondContact O-N 3.23Å; D367-W369 PolarHBondContact O-N 2.89Å; D367-G370 WeakPolarHBondContact O-CA 3.19Å; D367-G370 PolarHBondContact O-N 2.94Å
368K90.9Very high94.2Very high174 Ų17455.9 Ų55.976%0.75727%0.266SS*.Hα-helixtrans-55.4-37.9175.4-178.8-176.9176.7-176.40113A364 R365 G370A364-K368 WeakPolarHBondContact O-CB 2.99Å; A364-K368 PolarHBondContact O-N 3.28Å; R365-K368 PolarHBondContact O-N 3.35Å; K368-G370 PolarHBondContact O-N 3.5Å
369W90.7Very high94.3Very high112 Ų11257.4 Ų57.442%0.42427%0.27SS..THydrogen-bonded Turntrans-81.1-0.9177.7-72.9114.2000113.6V318 V319 Y322 M351 R365 A366 D367 A371V318-W369 HydrophobicContact CG1-CE3 4.3Å; V318-W369 HydrophobicContact CG1-CZ3 4.38Å; V319-W369 HydrophobicContact CB-CB 4.26Å; V319-W369 HydrophobicContact CG2-CB 3.93Å; V319-W369 HydrophobicContact CG2-CG 4.4Å; Y322-W369 AromaticContact CE2-CD1 3.73Å; M351-W369 HydrophobicContact CE-CD2 4.17Å; M351-W369 HydrophobicContact CE-CE3 4.38Å; M351-W369 HydrophobicContact CE-CZ2 4.43Å; M351-W369 HydrophobicContact SD-CD2 4.06Å; M351-W369 HydrophobicContact SD-CG 4Å; M351-W369 HydrophobicContact SD-CZ2 4.5Å; R365-W369 PolarHBondContact O-N 2.64Å; A366-W369 PolarHBondContact O-N 2.91Å; D367-W369 PolarHBondContact O-N 2.89Å; W369-A371 VanDerWaalsContact C-N 3.27Å; W369-A371 PolarHBondContact O-N 2.89Å
370G88.6Confident94.3Very high24 Ų2457.9 Ų57.925%0.24728%0.281CS..THydrogen-bonded Turntrans74.515.5179.400000113.8A366 D367 K368 R372 R393A366-G370 PolarHBondContact O-N 3.3Å; D367-G370 WeakPolarHBondContact O-CA 3.19Å; D367-G370 PolarHBondContact O-N 2.94Å; K368-G370 PolarHBondContact O-N 3.5Å; G370-R372 PolarHBondContact O-N 2.99Å; G370-R393 PolarHBondContact O-NH2 2.99Å
371A93.3Very high94.4Very high0 Ų051.6 Ų51.60%026%0.255CS..  trans-53.9139-178.700000111V319 A366 W369 L392 R393V319-A371 HydrophobicContact CB-CB 4.43Å; V319-A371 HydrophobicContact CG1-CB 3.97Å; V319-A371 WeakPolarHBondContact O-CA 3.44Å; A366-A371 HydrophobicContact CB-CB 4.37Å; A366-A371 WeakPolarHBondContact O-CB 3.44Å; A366-A371 PolarHBondContact O-N 3.4Å; W369-A371 VanDerWaalsContact C-N 3.27Å; W369-A371 PolarHBondContact O-N 2.89Å; A371-L392 HydrophobicContact CB-CD1 3.91Å; A371-L392 WeakPolarHBondContact O-CD1 3.48Å; A371-R393 PolarHBondContact O-NH1 3.4Å
372R91Very high94.4Very high56 Ų5647.3 Ų47.321%0.21124%0.24CC..SBendtrans-86.3-38.9177.7-177.6174.8168.9-144.2-19.3111D320 G370 L392 L412 V416D320-R372 PolarHBondContact O-N 3.38Å; G370-R372 PolarHBondContact O-N 2.99Å; R372-L392 WeakPolarHBondContact O-CB 3.34Å; R372-L392 PolarHBondContact O-N 2.99Å; R372-L412 PolarHBondContact NH2-O 3.22Å; R372-V416 VanDerWaalsContact CZ-CG2 3.43Å
373V95Very high94.3Very high0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-125.3141.3-177.2-177.80000109.5D320 I321 Y322 V389 K390 L409D320-V373 PolarHBondContact O-N 2.91Å; D320-V373 VanDerWaalsContact O-N 3.12Å; I321-V373 CarbonylContact C-O 3.57Å; I321-V373 WeakPolarHBondContact CA-O 3.49Å; I321-V373 HydrophobicContact CG1-CB 4.46Å; Y322-V373 PolarHBondContact N-O 3.17Å; V373-V389 HydrophobicContact CG1-CG1 3.47Å; V373-V389 VanDerWaalsContact CG1-CG1 3.47Å; V373-K390 CarbonylContact C-O 3.36Å; V373-K390 WeakPolarHBondContact CA-O 3.35Å; V373-L409 HydrophobicContact CB-CD2 4.4Å; V373-L409 HydrophobicContact CG1-CD2 3.71Å
374A97.2Very high94.3Very high0 Ų054.3 Ų54.30%029%0.291CS..EExtended strand (participates in β ladder)trans-107.6135.3165.900000110.8Y322 F363 K390 L392Y322-A374 CarbonylContact O-C 3.54Å; Y322-A374 WeakPolarHBondContact O-CA 3.24Å; F363-A374 HydrophobicContact CD1-CB 4.21Å; F363-A374 HydrophobicContact CE1-CB 3.71Å; A374-K390 PolarHBondContact N-O 3.41Å; A374-K390 PolarHBondContact O-N 3.14Å; A374-L392 HydrophobicContact CB-CD1 4.14Å; A374-L392 HydrophobicContact CB-CD2 3.88Å; A374-L392 HydrophobicContact CB-CG 4.13Å
375V97.9Very high94.4Very high0 Ų053.1 Ų53.10%029%0.285CS..EExtended strand (participates in β ladder)trans-105120.1169.2177.60000107.5I321 Y322 L323 V324 L337 A387 V388 V405 L409I321-V375 HydrophobicContact CG2-CG2 3.72Å; Y322-V375 PolarHBondContact O-N 2.77Å; L323-V375 CarbonylContact C-O 3.46Å; L323-V375 WeakPolarHBondContact CA-O 3.37Å; L323-V375 HydrophobicContact CG-CB 4.18Å; L323-V375 HydrophobicContact CG-CG1 4.29Å; V324-V375 PolarHBondContact N-O 3.46Å; L337-V375 HydrophobicContact CD2-CG1 3.91Å; V375-A387 HydrophobicContact CG1-CB 4.02Å; V375-V388 CarbonylContact C-O 3.54Å; V375-V405 HydrophobicContact CG1-CG1 4.33Å; V375-V405 HydrophobicContact CG2-CG1 4.28Å; V375-L409 HydrophobicContact CG2-CD1 4.22Å; V375-L409 HydrophobicContact CG2-CD2 4.27Å
376V97.6Very high94.5Very high15 Ų1550 Ų509%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-110.9128.4-168.7-172.50000110.1V324 F359 F363 V388V324-V376 HydrophobicContact CG2-CB 3.79Å; V324-V376 HydrophobicContact CG2-CG1 3.79Å; V324-V376 HydrophobicContact CG2-CG2 3.59Å; V324-V376 WeakPolarHBondContact O-CA 3.36Å; F359-V376 HydrophobicContact CD1-CG1 4.17Å; F359-V376 HydrophobicContact CE1-CG1 3.62Å; F359-V376 HydrophobicContact CZ-CG1 4.04Å; F363-V376 HydrophobicContact CE1-CG2 4.1Å; F363-V376 HydrophobicContact CZ-CG2 3.69Å; V376-V388 HydrophobicContact CB-CB 4.06Å; V376-V388 HydrophobicContact CG2-CB 4.41Å; V376-V388 PolarHBondContact N-O 3.45Å; V376-V388 PolarHBondContact O-N 2.97Å
377L96.7Very high94.6Very high0 Ų050 Ų500%028%0.277CS..EExtended strand (participates in β ladder)trans-125.1108.5172.3-69.6175.9000110.7L323 V324 A325 S326 A333 A334 L337 E381 V382 T386 A387L323-L377 HydrophobicContact CD2-CD1 4.32Å; V324-L377 PolarHBondContact O-N 2.88Å; A325-L377 VanDerWaalsContact CA-O 3.22Å; A325-L377 WeakPolarHBondContact CA-O 3.32Å; A325-L377 HydrophobicContact CB-CB 4.37Å; S326-L377 PolarHBondContact N-O 3.35Å; A333-L377 HydrophobicContact CB-CD1 4.48Å; A334-L377 HydrophobicContact CB-CD1 4Å; L337-L377 HydrophobicContact CB-CD1 4.46Å; L337-L377 HydrophobicContact CD2-CD1 3.89Å; L337-L377 HydrophobicContact CD2-CD2 4.35Å; L337-L377 HydrophobicContact CD2-CG 4.32Å; L377-E381 HydrophobicContact CD2-CB 4Å; L377-V382 HydrophobicContact CB-CG2 4.26Å; L377-V382 HydrophobicContact CD2-CG2 4.41Å; L377-T386 VanDerWaalsContact CD2-O 3.3Å; L377-T386 WeakPolarHBondContact CD2-O 3.38Å; L377-A387 HydrophobicContact CD2-CB 3.73Å
378G95.3Very high94.9Very high4 Ų445.8 Ų45.84%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-95.7-178.7160.500000111.5S326 S380 E381 V382S326-G378 WeakPolarHBondContact O-CA 3.45Å; G378-S380 VanDerWaalsContact C-N 3.25Å; G378-S380 PolarHBondContact O-N 3.19Å; G378-E381 WeakPolarHBondContact CA-OE2 3.38Å; G378-E381 PolarHBondContact N-OE2 3.23Å; G378-E381 PolarHBondContact O-N 3.44Å; G378-V382 WeakPolarHBondContact O-CG2 3.39Å; G378-V382 PolarHBondContact O-N 3.41Å
379E95.2Very high95.2Very high115 Ų11537.7 Ų37.754%0.53722%0.22SC..Hα-helixtrans-59.2-39.1176.8-59.7179.5177.900111.4G327 A328 T330 V382 A383G327-E379 VanDerWaalsContact CA-OE1 3.29Å; G327-E379 WeakPolarHBondContact CA-OE1 3.44Å; A328-E379 PolarHBondContact N-OE1 3.3Å; T330-E379 HydrophobicContact CG2-CG 4.16Å; E379-V382 PolarHBondContact O-N 3.08Å; E379-A383 VanDerWaalsContact O-CB 3.29Å; E379-A383 WeakPolarHBondContact O-CB 3.39Å; E379-A383 PolarHBondContact O-N 3.04Å
380S94.8Very high95.5Very high75 Ų7534.9 Ų34.952%0.52421%0.211SC..Hα-helixtrans-66.7-43.1177.5-56.50000112.3G378 V382 A383 N384G378-S380 VanDerWaalsContact C-N 3.25Å; G378-S380 PolarHBondContact O-N 3.19Å; S380-V382 VanDerWaalsContact C-N 3.34Å; S380-A383 PolarHBondContact O-N 3.04Å; S380-N384 VanDerWaalsContact O-CB 3.25Å; S380-N384 WeakPolarHBondContact O-CB 3.37Å; S380-N384 PolarHBondContact O-N 3.01Å; S380-N384 PolarHBondContact O-ND2 2.91Å; S380-N384 VanDerWaalsContact O-ND2 3.1Å
381E96.4Very high95.7Very high47 Ų4734.9 Ų34.922%0.2221%0.206CC..Hα-helixtrans-62.5-43.8177-73.970.9-151.100111L377 G378 N384 G385 T386 V388L377-E381 HydrophobicContact CD2-CB 4Å; G378-E381 WeakPolarHBondContact CA-OE2 3.38Å; G378-E381 PolarHBondContact N-OE2 3.23Å; G378-E381 PolarHBondContact O-N 3.44Å; E381-N384 PolarHBondContact O-N 2.81Å; E381-G385 PolarHBondContact O-N 3.42Å; E381-G385 VanDerWaalsContact O-N 3.08Å; E381-T386 CarbonylContact C-O 3.52Å; E381-T386 WeakPolarHBondContact CB-O 3.25Å; E381-T386 PolarHBondContact O-N 3.07Å; E381-T386 PolarHBondContact O-OG1 2.95Å; E381-V388 HydrophobicContact CG-CG2 4.24Å
382V95Very high95.6Very high46 Ų4636.7 Ų36.728%0.27922%0.215SC..Hα-helixtrans-63.4-48.4176.2173.80000111.2T330 A333 L377 G378 E379 S380 N384 G385T330-V382 HydrophobicContact CG2-CG2 4.09Å; A333-V382 HydrophobicContact CB-CB 4.49Å; A333-V382 HydrophobicContact CB-CG1 3.97Å; A333-V382 HydrophobicContact CB-CG2 3.67Å; L377-V382 HydrophobicContact CB-CG2 4.26Å; L377-V382 HydrophobicContact CD2-CG2 4.41Å; G378-V382 WeakPolarHBondContact O-CG2 3.39Å; G378-V382 PolarHBondContact O-N 3.41Å; E379-V382 PolarHBondContact O-N 3.08Å; S380-V382 VanDerWaalsContact C-N 3.34Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 3.32Å; V382-G385 PolarHBondContact O-N 3.41Å
383A94.8Very high95.4Very high81 Ų8141 Ų4167%0.66923%0.231SC*.Hα-helixtrans-61.4-35.1179.200000112.8E379 S380E379-A383 VanDerWaalsContact O-CB 3.29Å; E379-A383 WeakPolarHBondContact O-CB 3.39Å; E379-A383 PolarHBondContact O-N 3.04Å; S380-A383 PolarHBondContact O-N 3.04Å
384N95.5Very high95.2Very high118 Ų11844.3 Ų44.363%0.63126%0.255SS*.THydrogen-bonded Turntrans-90-0.8-178.3-64.9-27.5000113.7S380 E381 V382 T386S380-N384 VanDerWaalsContact O-CB 3.25Å; S380-N384 WeakPolarHBondContact O-CB 3.37Å; S380-N384 PolarHBondContact O-N 3.01Å; S380-N384 PolarHBondContact O-ND2 2.91Å; S380-N384 VanDerWaalsContact O-ND2 3.1Å; E381-N384 PolarHBondContact O-N 2.81Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 3.32Å; N384-T386 HydrophobicContact CB-CG2 4.27Å; N384-T386 PolarHBondContact O-N 3.04Å
385G95.1Very high94.9Very high37 Ų3746.2 Ų46.238%0.38127%0.274SS..THydrogen-bonded Turntrans62.528.9-174.200000113.3E381 V382 Q402E381-G385 PolarHBondContact O-N 3.42Å; E381-G385 VanDerWaalsContact O-N 3.08Å; V382-G385 PolarHBondContact O-N 3.41Å; G385-Q402 PolarHBondContact O-N 2.94Å
386T97.3Very high94.6Very high37 Ų3753.2 Ų53.223%0.22731%0.307CS..EExtended strand (participates in β ladder)trans-115.4169.4-179.957.30000111.1L377 E381 N384 V400 Q402L377-T386 VanDerWaalsContact CD2-O 3.3Å; L377-T386 WeakPolarHBondContact CD2-O 3.38Å; E381-T386 CarbonylContact C-O 3.52Å; E381-T386 WeakPolarHBondContact CB-O 3.25Å; E381-T386 PolarHBondContact O-N 3.07Å; E381-T386 PolarHBondContact O-OG1 2.95Å; N384-T386 HydrophobicContact CB-CG2 4.27Å; N384-T386 PolarHBondContact O-N 3.04Å; T386-V400 CarbonylContact C-O 3.56Å; T386-V400 VanDerWaalsContact CA-O 3.29Å; T386-V400 WeakPolarHBondContact CA-O 3.38Å; T386-Q402 VanDerWaalsContact O-CG 3.27Å; T386-Q402 WeakPolarHBondContact O-CG 3.37Å; T386-Q402 PolarHBondContact O-NE2 3.49Å
387A97.2Very high94.5Very high0 Ų058.3 Ų58.30%033%0.33CS..EExtended strand (participates in β ladder)trans-144.5148.3167.700000108.7L337 V375 L377 V400 Q402 V405L337-A387 HydrophobicContact CD2-CB 4.28Å; V375-A387 HydrophobicContact CG1-CB 4.02Å; L377-A387 HydrophobicContact CD2-CB 3.73Å; A387-V400 PolarHBondContact N-O 3.46Å; A387-V400 PolarHBondContact O-N 3.13Å; A387-Q402 HydrophobicContact CB-CG 4.23Å; A387-V405 HydrophobicContact CB-CG2 3.89Å
388V97.8Very high94.5Very high21 Ų2161.8 Ų61.813%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-92.9122.5171.81770000108.8V375 V376 E381 Q397 T398 A399V375-V388 CarbonylContact C-O 3.54Å; V376-V388 HydrophobicContact CB-CB 4.06Å; V376-V388 HydrophobicContact CG2-CB 4.41Å; V376-V388 PolarHBondContact N-O 3.45Å; V376-V388 PolarHBondContact O-N 2.97Å; E381-V388 HydrophobicContact CG-CG2 4.24Å; V388-Q397 HydrophobicContact CG1-CB 3.84Å; V388-Q397 HydrophobicContact CG1-CG 4.36Å; V388-T398 WeakPolarHBondContact CA-O 3.38Å; V388-A399 HydrophobicContact CG2-CB 4.41Å
389V97.3Very high94.6Very high3 Ų365.1 Ų65.12%0.01838%0.379CS..EExtended strand (participates in β ladder)trans-97.7119.3173-176.10000108V373 Q397 T398 V400 V405 L409 L412V373-V389 HydrophobicContact CG1-CG1 3.47Å; V373-V389 VanDerWaalsContact CG1-CG1 3.47Å; V389-Q397 CarbonylContact O-C 3.57Å; V389-Q397 VanDerWaalsContact O-CA 3.27Å; V389-Q397 WeakPolarHBondContact O-CA 3.33Å; V389-T398 PolarHBondContact N-O 3.04Å; V389-T398 PolarHBondContact O-N 2.99Å; V389-V400 HydrophobicContact CG2-CG2 4.1Å; V389-V405 HydrophobicContact CG2-CG1 4.17Å; V389-V405 HydrophobicContact CG2-CG2 4.5Å; V389-L409 HydrophobicContact CG1-CD2 3.82Å; V389-L412 HydrophobicContact CG1-CD1 3.73Å
390K96.2Very high94.6Very high53 Ų5360.5 Ų60.523%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-119.9122.6-176179.9170.5-174.3167.90111.3F363 V373 A374 L392 E396 Q397F363-K390 HydrophobicContact CE1-CD 4.13Å; F363-K390 HydrophobicContact CZ-CD 4.36Å; V373-K390 CarbonylContact C-O 3.36Å; V373-K390 WeakPolarHBondContact CA-O 3.35Å; A374-K390 PolarHBondContact N-O 3.41Å; A374-K390 PolarHBondContact O-N 3.14Å; K390-L392 PolarHBondContact O-N 3.4Å; K390-E396 CarbonylContact C-O 3.59Å; K390-E396 WeakPolarHBondContact CA-O 3.38Å; K390-Q397 HydrophobicContact CB-CB 3.99Å; K390-Q397 HydrophobicContact CG-CB 4.11Å
391D92.8Very high94.7Very high24 Ų2459.3 Ų59.313%0.12835%0.352CS..EExtended strand (participates in β ladder)trans-74.3121.1168.8-171.5-52.4000108.9R393 S394 G395 E396D391-R393 VanDerWaalsContact C-N 3.28Å; D391-R393 PolarHBondContact O-N 3.47Å; D391-R393 WeakPolarHBondContact OD1-CA 3.49Å; D391-R393 WeakPolarHBondContact OD1-CB 3.34Å; D391-R393 PolarHBondContact OD1-N 2.89Å; D391-S394 WeakPolarHBondContact CB-OG 3.49Å; D391-S394 PolarHBondContact OD1-N 3.43Å; D391-G395 WeakPolarHBondContact O-CA 3.46Å; D391-G395 PolarHBondContact O-N 2.83Å; D391-E396 PolarHBondContact N-O 3.49Å
392L91.6Very high94.7Very high39 Ų3958.3 Ų58.320%0.20435%0.348CS..THydrogen-bonded Turntrans-81.5-6.9-176.5-63.9176.2000113F363 A366 A371 R372 A374 K390F363-L392 HydrophobicContact CD1-CD2 4.09Å; F363-L392 HydrophobicContact CE1-CD2 4.38Å; A366-L392 HydrophobicContact CB-CD1 3.88Å; A371-L392 HydrophobicContact CB-CD1 3.91Å; A371-L392 WeakPolarHBondContact O-CD1 3.48Å; R372-L392 WeakPolarHBondContact O-CB 3.34Å; R372-L392 PolarHBondContact O-N 2.99Å; A374-L392 HydrophobicContact CB-CD1 4.14Å; A374-L392 HydrophobicContact CB-CD2 3.88Å; A374-L392 HydrophobicContact CB-CG 4.13Å; K390-L392 PolarHBondContact O-N 3.4Å
393R87.7Confident94.6Very high145 Ų14562 Ų6255%0.54737%0.366SS..THydrogen-bonded Turntrans-96.9-46175.6-58.8-63.3-177.9-83.5-7.7111.6G370 A371 D391G370-R393 PolarHBondContact O-NH2 2.99Å; A371-R393 PolarHBondContact O-NH1 3.4Å; D391-R393 VanDerWaalsContact C-N 3.28Å; D391-R393 PolarHBondContact O-N 3.47Å; D391-R393 WeakPolarHBondContact OD1-CA 3.49Å; D391-R393 WeakPolarHBondContact OD1-CB 3.34Å; D391-R393 PolarHBondContact OD1-N 2.89Å
394S89.8Confident94.7Very high70 Ų7061 Ų6149%0.4935%0.354SS..THydrogen-bonded Turntrans-87-25.2177.670.50000113.3D391 E396D391-S394 WeakPolarHBondContact CB-OG 3.49Å; D391-S394 PolarHBondContact OD1-N 3.43Å; S394-E396 PolarHBondContact O-N 2.86Å; S394-E396 WeakPolarHBondContact OG-CB 3.42Å; S394-E396 PolarHBondContact OG-N 2.93Å
395G90.5Very high94.7Very high40 Ų4055.4 Ų55.441%0.41232%0.324SS..  trans82.2-5.7-173.400000114.2D391D391-G395 WeakPolarHBondContact O-CA 3.46Å; D391-G395 PolarHBondContact O-N 2.83Å
396E92.8Very high94.7Very high147 Ų14753.8 Ų53.869%0.68731%0.307SS*.  trans-63.6143.1176.7-67.1179.5165.100111.1K390 D391 S394K390-E396 CarbonylContact C-O 3.59Å; K390-E396 WeakPolarHBondContact CA-O 3.38Å; D391-E396 PolarHBondContact N-O 3.49Å; S394-E396 PolarHBondContact O-N 2.86Å; S394-E396 WeakPolarHBondContact OG-CB 3.42Å; S394-E396 PolarHBondContact OG-N 2.93Å
397Q95Very high94.6Very high123 Ų12355 Ų5558%0.57532%0.321SS*.EExtended strand (participates in β ladder)trans-141141.3-179.466-177.635.100111.5V388 V389 K390V388-Q397 HydrophobicContact CG1-CB 3.84Å; V388-Q397 HydrophobicContact CG1-CG 4.36Å; V389-Q397 CarbonylContact O-C 3.57Å; V389-Q397 VanDerWaalsContact O-CA 3.27Å; V389-Q397 WeakPolarHBondContact O-CA 3.33Å; K390-Q397 HydrophobicContact CB-CB 3.99Å; K390-Q397 HydrophobicContact CG-CB 4.11Å
398T96.1Very high94.4Very high72 Ų7257.3 Ų57.344%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-132.3133.1-179.6-54.10000109.5V388 V389 V400V388-T398 WeakPolarHBondContact CA-O 3.38Å; V389-T398 PolarHBondContact N-O 3.04Å; V389-T398 PolarHBondContact O-N 2.99Å; T398-V400 HydrophobicContact CG2-CG2 4.13Å
399A97Very high94.2Very high75 Ų7556.3 Ų56.362%0.6233%0.326SS*.EExtended strand (participates in β ladder)trans-79.7128169.700000109.5V388V388-A399 HydrophobicContact CG2-CB 4.41Å
400V96.7Very high93.9Very high18 Ų1861.9 Ų61.911%0.10935%0.346CS..EExtended strand (participates in β ladder)trans-131.7142.3-175.5-171.30000108.5T386 A387 V389 T398 Q402 V405 H408T386-V400 CarbonylContact C-O 3.56Å; T386-V400 VanDerWaalsContact CA-O 3.29Å; T386-V400 WeakPolarHBondContact CA-O 3.38Å; A387-V400 PolarHBondContact N-O 3.46Å; A387-V400 PolarHBondContact O-N 3.13Å; V389-V400 HydrophobicContact CG2-CG2 4.1Å; T398-V400 HydrophobicContact CG2-CG2 4.13Å; V400-Q402 PolarHBondContact O-N 3.29Å; V400-V405 HydrophobicContact CB-CG2 4.29Å; V400-V405 HydrophobicContact CG1-CG2 4.35Å; V400-H408 HydrophobicContact CG1-CB 4.16Å; V400-H408 HydrophobicContact CG2-CB 4.38Å
401A97Very high93.5Very high49 Ų4963.8 Ų63.841%0.40536%0.363SS..EExtended strand (participates in β ladder)trans-58.4138.7169.200000109.6D403 S404 V405A401-D403 PolarHBondContact O-N 3.2Å; A401-D403 VanDerWaalsContact O-N 3.13Å; A401-S404 WeakPolarHBondContact O-CA 3.49Å; A401-S404 PolarHBondContact O-N 3Å; A401-V405 PolarHBondContact O-N 3.26Å
402Q95.3Very high93.2Very high26 Ų2664.9 Ų64.912%0.12137%0.368CS..G310 helixtrans-56.1-36.2-175.2-72.8-17724.300112.6L337 G385 T386 A387 V400 S404 V405L337-Q402 HydrophobicContact CD1-CB 4.35Å; L337-Q402 HydrophobicContact CD2-CG 4.47Å; G385-Q402 PolarHBondContact O-N 2.94Å; T386-Q402 VanDerWaalsContact O-CG 3.27Å; T386-Q402 WeakPolarHBondContact O-CG 3.37Å; T386-Q402 PolarHBondContact O-NE2 3.49Å; A387-Q402 HydrophobicContact CB-CG 4.23Å; V400-Q402 PolarHBondContact O-N 3.29Å; Q402-S404 PolarHBondContact O-N 3.49Å; Q402-V405 WeakPolarHBondContact O-CB 3.21Å; Q402-V405 PolarHBondContact O-N 2.91Å
403D94.1Very high92.8Very high125 Ų12564.1 Ų64.167%0.66836%0.364SS*.G310 helixtrans-68.6-16.6177.7-58.1-9.1000113.4R340 A401R340-D403 IonicContact CZ-OD1 2.86Å; R340-D403 IonicContact NH1-OD1 2.87Å; R340-D403 PolarHBondContact NH1-OD1 3.28Å; A401-D403 PolarHBondContact O-N 3.2Å; A401-D403 VanDerWaalsContact O-N 3.13Å
404S95.8Very high92.4Very high60 Ų6062 Ų6242%0.4236%0.361SS..G310 helixtrans-105.7-2.2178.4-60.90000113.2A401 Q402 A406 A407 H408A401-S404 WeakPolarHBondContact O-CA 3.49Å; A401-S404 PolarHBondContact O-N 3Å; Q402-S404 PolarHBondContact O-N 3.49Å; S404-A406 VanDerWaalsContact C-N 3.32Å; S404-A406 PolarHBondContact O-N 2.91Å; S404-A407 PolarHBondContact O-N 3.01Å; S404-H408 WeakPolarHBondContact O-CB 3.31Å; S404-H408 PolarHBondContact O-N 3.5Å
405V96.4Very high91.6Very high0 Ų061.3 Ų61.30%036%0.359CS..Hα-helixtrans-60.7-41.8-177.8172.40000110.8L341 V375 A387 V389 V400 A401 Q402 H408 L409L341-V405 HydrophobicContact CD1-CG1 3.96Å; L341-V405 HydrophobicContact CD2-CB 4.16Å; L341-V405 HydrophobicContact CD2-CG1 3.85Å; V375-V405 HydrophobicContact CG1-CG1 4.33Å; V375-V405 HydrophobicContact CG2-CG1 4.28Å; A387-V405 HydrophobicContact CB-CG2 3.89Å; V389-V405 HydrophobicContact CG2-CG1 4.17Å; V389-V405 HydrophobicContact CG2-CG2 4.5Å; V400-V405 HydrophobicContact CB-CG2 4.29Å; V400-V405 HydrophobicContact CG1-CG2 4.35Å; A401-V405 PolarHBondContact O-N 3.26Å; Q402-V405 WeakPolarHBondContact O-CB 3.21Å; Q402-V405 PolarHBondContact O-N 2.91Å; V405-H408 PolarHBondContact O-N 2.74Å; V405-L409 HydrophobicContact CG1-CD1 3.56Å; V405-L409 HydrophobicContact CG1-CG 4.03Å; V405-L409 WeakPolarHBondContact O-CB 3.43Å; V405-L409 WeakPolarHBondContact O-CG 3.43Å; V405-L409 PolarHBondContact O-N 3.34Å
406A95.2Very high90.1Very high2 Ų262 Ų622%0.01736%0.355CS..Hα-helixtrans-61.7-47.7179.200000112.5L341 E344 L345 S404 H408 L409 R410L341-A406 HydrophobicContact CD2-CB 3.75Å; E344-A406 HydrophobicContact CB-CB 3.72Å; E344-A406 HydrophobicContact CG-CB 4.47Å; E344-A406 WeakPolarHBondContact OE2-CB 3.44Å; L345-A406 HydrophobicContact CD1-CB 4.33Å; L345-A406 HydrophobicContact CD2-CB 4.37Å; L345-A406 HydrophobicContact CG-CB 4.14Å; S404-A406 VanDerWaalsContact C-N 3.32Å; S404-A406 PolarHBondContact O-N 2.91Å; A406-H408 VanDerWaalsContact C-N 3.32Å; A406-H408 PolarHBondContact O-N 2.87Å; A406-L409 PolarHBondContact O-N 3.26Å; A406-R410 WeakPolarHBondContact O-CB 3.5Å; A406-R410 PolarHBondContact O-N 2.91Å
407A93.9Very high88.7Confident62 Ų6262.5 Ų62.551%0.51236%0.355SS..Hα-helixtrans-61-41.817800000111.9S404 R410 T411S404-A407 PolarHBondContact O-N 3.01Å; A407-R410 PolarHBondContact O-N 3.46Å; A407-T411 PolarHBondContact O-N 2.82Å; A407-T411 PolarHBondContact O-OG1 2.89Å; A407-T411 VanDerWaalsContact O-OG1 3.07Å
408H93.9Very high87.1Confident50 Ų5064.2 Ų64.223%0.23136%0.356CS..Hα-helixtrans-65.1-45.9176.7-171.773.7000112V400 S404 V405 A406 R410 T411 L412V400-H408 HydrophobicContact CG1-CB 4.16Å; V400-H408 HydrophobicContact CG2-CB 4.38Å; S404-H408 WeakPolarHBondContact O-CB 3.31Å; S404-H408 PolarHBondContact O-N 3.5Å; V405-H408 PolarHBondContact O-N 2.74Å; A406-H408 VanDerWaalsContact C-N 3.32Å; A406-H408 PolarHBondContact O-N 2.87Å; H408-R410 VanDerWaalsContact C-N 3.35Å; H408-R410 PolarHBondContact O-N 2.73Å; H408-T411 WeakPolarHBondContact O-CB 3.43Å; H408-T411 PolarHBondContact O-N 3.01Å; H408-L412 PolarHBondContact O-N 3.44Å
409L93.7Very high85.7Confident0 Ų066 Ų660%036%0.358CS..Hα-helixtrans-61.4-41.4175.1-73.5169.4000112.1I321 L341 L345 V373 V375 V389 V405 A406 T411 L412 L413I321-L409 HydrophobicContact CD1-CB 4.29Å; I321-L409 HydrophobicContact CD1-CD1 3.51Å; I321-L409 HydrophobicContact CD1-CD2 3.65Å; I321-L409 HydrophobicContact CD1-CG 4.01Å; I321-L409 HydrophobicContact CG1-CD2 4.41Å; L341-L409 HydrophobicContact CD1-CD1 4.04Å; L341-L409 HydrophobicContact CD2-CD1 4.08Å; L345-L409 HydrophobicContact CD1-CB 3.81Å; L345-L409 HydrophobicContact CD1-CD1 3.82Å; V373-L409 HydrophobicContact CB-CD2 4.4Å; V373-L409 HydrophobicContact CG1-CD2 3.71Å; V375-L409 HydrophobicContact CG2-CD1 4.22Å; V375-L409 HydrophobicContact CG2-CD2 4.27Å; V389-L409 HydrophobicContact CG1-CD2 3.82Å; V405-L409 HydrophobicContact CG1-CD1 3.56Å; V405-L409 HydrophobicContact CG1-CG 4.03Å; V405-L409 WeakPolarHBondContact O-CB 3.43Å; V405-L409 WeakPolarHBondContact O-CG 3.43Å; V405-L409 PolarHBondContact O-N 3.34Å; A406-L409 PolarHBondContact O-N 3.26Å; L409-T411 VanDerWaalsContact C-N 3.29Å; L409-T411 PolarHBondContact O-N 3.41Å; L409-L412 PolarHBondContact O-N 2.62Å; L409-L413 WeakPolarHBondContact O-CB 3.47Å; L409-L413 VanDerWaalsContact O-CG 3.27Å; L409-L413 WeakPolarHBondContact O-CG 3.4Å; L409-L413 PolarHBondContact O-N 3.05Å
410R90.8Very high83.8Confident119 Ų11968.6 Ų68.645%0.44936%0.355SS..Hα-helixtrans-57.8-46.1175-170.6177.3-63.6175.9-0.1110.3E344 L345 A406 A407 H408 L412 L413 E414E344-R410 PolarHBondContact O-NH2 3.42Å; L345-R410 HydrophobicContact CD2-CB 3.94Å; A406-R410 WeakPolarHBondContact O-CB 3.5Å; A406-R410 PolarHBondContact O-N 2.91Å; A407-R410 PolarHBondContact O-N 3.46Å; H408-R410 VanDerWaalsContact C-N 3.35Å; H408-R410 PolarHBondContact O-N 2.73Å; R410-L412 PolarHBondContact O-N 2.88Å; R410-L413 PolarHBondContact O-N 3.29Å; R410-E414 WeakPolarHBondContact CD-OE1 3.38Å; R410-E414 VanDerWaalsContact CG-CD 3.45Å; R410-E414 HydrophobicContact CG-CG 4.1Å; R410-E414 VanDerWaalsContact CG-OE1 3.22Å; R410-E414 WeakPolarHBondContact CG-OE1 3.18Å; R410-E414 WeakPolarHBondContact O-CA 3.43Å; R410-E414 WeakPolarHBondContact O-CB 3.34Å; R410-E414 VanDerWaalsContact O-CG 3.25Å; R410-E414 WeakPolarHBondContact O-CG 3.46Å; R410-E414 PolarHBondContact O-N 2.67Å
411T88.4Confident81.8Confident94 Ų9471 Ų7158%0.57738%0.377SS*.Hα-helixtrans-62.9-43.6177.2-57.30000111.6A407 H408 L409 A415A407-T411 PolarHBondContact O-N 2.82Å; A407-T411 PolarHBondContact O-OG1 2.89Å; A407-T411 VanDerWaalsContact O-OG1 3.07Å; H408-T411 WeakPolarHBondContact O-CB 3.43Å; H408-T411 PolarHBondContact O-N 3.01Å; L409-T411 VanDerWaalsContact C-N 3.29Å; L409-T411 PolarHBondContact O-N 3.41Å; T411-A415 WeakPolarHBondContact O-CA 3.41Å; T411-A415 WeakPolarHBondContact O-CB 3.44Å; T411-A415 PolarHBondContact O-N 2.92Å
412L86.5Confident80.3Confident47 Ų4774.1 Ų74.125%0.24638%0.383CS..Hα-helixtrans-66.5-40.5178.2-73.6175000113.6R372 V389 H408 L409 R410R372-L412 PolarHBondContact NH2-O 3.22Å; V389-L412 HydrophobicContact CG1-CD1 3.73Å; H408-L412 PolarHBondContact O-N 3.44Å; L409-L412 PolarHBondContact O-N 2.62Å; R410-L412 PolarHBondContact O-N 2.88Å
413L83.2Confident78.9Confident22 Ų2275.9 Ų75.912%0.11539%0.394CS..Hα-helixtrans-74.8-40179.6-67.7176.5000111.3I321 V348 L409 R410I321-L413 HydrophobicContact CD1-CD1 4.18Å; V348-L413 HydrophobicContact CB-CD1 4.5Å; V348-L413 HydrophobicContact CG1-CD1 3.91Å; V348-L413 HydrophobicContact CG2-CD1 3.67Å; L409-L413 WeakPolarHBondContact O-CB 3.47Å; L409-L413 VanDerWaalsContact O-CG 3.27Å; L409-L413 WeakPolarHBondContact O-CG 3.4Å; L409-L413 PolarHBondContact O-N 3.05Å; R410-L413 PolarHBondContact O-N 3.29Å
414E79.1Confident77.3Confident102 Ų10271 Ų7148%0.47737%0.372SS..Hα-helixtrans-75.6-31.6176.3-70.9179.1179.600112.9R410 V416 K417 R418R410-E414 WeakPolarHBondContact CD-OE1 3.38Å; R410-E414 VanDerWaalsContact CG-CD 3.45Å; R410-E414 HydrophobicContact CG-CG 4.1Å; R410-E414 VanDerWaalsContact CG-OE1 3.22Å; R410-E414 WeakPolarHBondContact CG-OE1 3.18Å; R410-E414 WeakPolarHBondContact O-CA 3.43Å; R410-E414 WeakPolarHBondContact O-CB 3.34Å; R410-E414 VanDerWaalsContact O-CG 3.25Å; R410-E414 WeakPolarHBondContact O-CG 3.46Å; R410-E414 PolarHBondContact O-N 2.67Å; E414-V416 PolarHBondContact O-N 2.92Å; E414-V416 VanDerWaalsContact O-N 3.09Å; E414-K417 CarbonylContact O-C 3.55Å; E414-K417 WeakPolarHBondContact O-CA 3.33Å; E414-K417 WeakPolarHBondContact O-CB 3.47Å; E414-K417 PolarHBondContact O-N 3.42Å; E414-R418 WeakPolarHBondContact O-CB 3.26Å; E414-R418 PolarHBondContact O-N 3.34Å
415A71.5Confident76Confident54 Ų5476.1 Ų76.145%0.44639%0.387SS..Hα-helixtrans-54.8-33.4178.200000112T411 F419T411-A415 WeakPolarHBondContact O-CA 3.41Å; T411-A415 WeakPolarHBondContact O-CB 3.44Å; T411-A415 PolarHBondContact O-N 2.92Å; A415-F419 VanDerWaalsContact O-CB 3.31Å; A415-F419 WeakPolarHBondContact O-CB 3.38Å; A415-F419 PolarHBondContact O-N 2.76Å
416V60.4Low74.9Confident55 Ų5579.4 Ų79.433%0.33341%0.414SS..Hα-helixtrans-75.3-44.5173.2169.80000111.9R372 E414 R418 F419 F420R372-V416 VanDerWaalsContact CZ-CG2 3.43Å; E414-V416 PolarHBondContact O-N 2.92Å; E414-V416 VanDerWaalsContact O-N 3.09Å; V416-R418 PolarHBondContact O-N 3.29Å; V416-F419 PolarHBondContact O-N 2.77Å; V416-F420 HydrophobicContact CG1-CD2 3.92Å; V416-F420 HydrophobicContact CG1-CE2 3.84Å; V416-F420 VanDerWaalsContact O-CD2 3.25Å; V416-F420 WeakPolarHBondContact O-CD2 3.4Å; V416-F420 PolarHBondContact O-N 3.35Å
417K62.6Low73.7Confident158 Ų15884 Ų8469%0.68744%0.438SS*.Hα-helixtrans-57-38.3172.7-67.7-177178.6177.90111.1E414 A421E414-K417 CarbonylContact O-C 3.55Å; E414-K417 WeakPolarHBondContact O-CA 3.33Å; E414-K417 WeakPolarHBondContact O-CB 3.47Å; E414-K417 PolarHBondContact O-N 3.42Å; K417-A421 VanDerWaalsContact O-CB 3.32Å; K417-A421 WeakPolarHBondContact O-CB 3.33Å; K417-A421 PolarHBondContact O-N 3Å
418R61.6Low72.5Confident158 Ų15883.3 Ų83.360%0.59643%0.433SS*.Hα-helixtrans-74.4-40.6179.9-169.5172.6177176.1-2111.7E414 V416 F420 A421 E422E414-R418 WeakPolarHBondContact O-CB 3.26Å; E414-R418 PolarHBondContact O-N 3.34Å; V416-R418 PolarHBondContact O-N 3.29Å; R418-F420 VanDerWaalsContact C-N 3.3Å; R418-F420 PolarHBondContact O-N 2.86Å; R418-A421 CarbonylContact O-C 3.5Å; R418-A421 PolarHBondContact O-N 2.83Å; R418-E422 HydrophobicContact CG-CG 4.02Å; R418-E422 IonicContact CZ-OE1 3.59Å; R418-E422 IonicContact NE-OE1 3.59Å; R418-E422 PolarHBondContact NE-OE1 2.87Å; R418-E422 IonicContact NH2-OE1 2.77Å; R418-E422 PolarHBondContact NH2-OE1 3.07Å; R418-E422 VanDerWaalsContact NH2-OE1 3.09Å; R418-E422 VanDerWaalsContact O-CB 3.3Å; R418-E422 WeakPolarHBondContact O-CB 3.23Å; R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 2.91Å
419F65.9Low71.6Confident110 Ų11084.7 Ų84.748%0.48244%0.444SS..Hα-helixtrans-56.6-46.3170.7176-93.3000110.9A415 V416 N423A415-F419 VanDerWaalsContact O-CB 3.31Å; A415-F419 WeakPolarHBondContact O-CB 3.38Å; A415-F419 PolarHBondContact O-N 2.76Å; V416-F419 PolarHBondContact O-N 2.77Å; F419-N423 WeakPolarHBondContact CD2-ND2 3.41Å; F419-N423 VanDerWaalsContact CE2-ND2 3.25Å; F419-N423 WeakPolarHBondContact CE2-ND2 3.47Å; F419-N423 VanDerWaalsContact O-CB 3.24Å; F419-N423 WeakPolarHBondContact O-CB 3.45Å; F419-N423 PolarHBondContact O-N 2.75Å; F419-N423 PolarHBondContact O-ND2 3.01Å
420F57Low70.5Confident130 Ų13086.8 Ų86.857%0.5747%0.466SS*.Hα-helixtrans-69.9-30.1173.6-75.4-69.2000113V416 R418 G424V416-F420 HydrophobicContact CG1-CD2 3.92Å; V416-F420 HydrophobicContact CG1-CE2 3.84Å; V416-F420 VanDerWaalsContact O-CD2 3.25Å; V416-F420 WeakPolarHBondContact O-CD2 3.4Å; V416-F420 PolarHBondContact O-N 3.35Å; R418-F420 VanDerWaalsContact C-N 3.3Å; R418-F420 PolarHBondContact O-N 2.86Å; F420-G424 WeakPolarHBondContact O-CA 3.42Å; F420-G424 PolarHBondContact O-N 3.24Å
421A55.6Low69.9Low68 Ų6885.6 Ų85.656%0.56247%0.472SS*.Hα-helixtrans-73.8-39.3175.600000113.1K417 R418K417-A421 VanDerWaalsContact O-CB 3.32Å; K417-A421 WeakPolarHBondContact O-CB 3.33Å; K417-A421 PolarHBondContact O-N 3Å; R418-A421 CarbonylContact O-C 3.5Å; R418-A421 PolarHBondContact O-N 2.83Å
422E65.1Low69.3Low115 Ų11586.7 Ų86.754%0.53747%0.473SS..Hα-helixtrans-79.2-47.5-178.4-71.5179.5168.400111.1R418R418-E422 HydrophobicContact CG-CG 4.02Å; R418-E422 IonicContact CZ-OE1 3.59Å; R418-E422 IonicContact NE-OE1 3.59Å; R418-E422 PolarHBondContact NE-OE1 2.87Å; R418-E422 IonicContact NH2-OE1 2.77Å; R418-E422 PolarHBondContact NH2-OE1 3.07Å; R418-E422 VanDerWaalsContact NH2-OE1 3.09Å; R418-E422 VanDerWaalsContact O-CB 3.3Å; R418-E422 WeakPolarHBondContact O-CB 3.23Å; R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 2.91Å
423N66Low69Low63 Ų6390.2 Ų90.234%0.33749%0.491SS..Hα-helixtrans-89-15.1179.1-58.8-72.9000112.8F419 K425 A426 L427F419-N423 WeakPolarHBondContact CD2-ND2 3.41Å; F419-N423 VanDerWaalsContact CE2-ND2 3.25Å; F419-N423 WeakPolarHBondContact CE2-ND2 3.47Å; F419-N423 VanDerWaalsContact O-CB 3.24Å; F419-N423 WeakPolarHBondContact O-CB 3.45Å; F419-N423 PolarHBondContact O-N 2.75Å; F419-N423 PolarHBondContact O-ND2 3.01Å; N423-K425 PolarHBondContact O-N 3.28Å; N423-A426 PolarHBondContact O-N 3.2Å; N423-L427 HydrophobicContact CB-CD1 4.44Å; N423-L427 WeakPolarHBondContact O-CG 3.28Å; N423-L427 PolarHBondContact O-N 2.89Å
424G61Low68.6Low22 Ų2291.1 Ų91.123%0.22751%0.506CS..Hα-helixtrans-60.6-32-177.600000113.5F420 A428F420-G424 WeakPolarHBondContact O-CA 3.42Å; F420-G424 PolarHBondContact O-N 3.24Å; G424-A428 WeakPolarHBondContact O-CA 3.3Å; G424-A428 WeakPolarHBondContact O-CB 3.48Å; G424-A428 PolarHBondContact O-N 2.78Å
425K67.8Low68.6Low168 Ų16889.8 Ų89.873%0.7351%0.505SS*.Hα-helixtrans-68.1-43.7173-67.6-177.4-175.3176.50111.8N423 A428 V429N423-K425 PolarHBondContact O-N 3.28Å; K425-A428 PolarHBondContact O-N 3Å; K425-V429 WeakPolarHBondContact O-CB 3.4Å; K425-V429 WeakPolarHBondContact O-CG2 3.2Å; K425-V429 PolarHBondContact O-N 3.06Å
426A72.9Confident68.8Low69 Ų6989.1 Ų89.157%0.5750%0.503SS*.Hα-helixtrans-65.5-41.9177.100000111.5N423 V429 G430N423-A426 PolarHBondContact O-N 3.2Å; A426-V429 PolarHBondContact O-N 3.36Å; A426-G430 PolarHBondContact O-N 3.34Å
427L70.5Confident69.8Low98 Ų9889.7 Ų89.751%0.51351%0.514SS..Hα-helixtrans-62.8-45.6173-70.6168.7000111.3N423 V429 G430 V431N423-L427 HydrophobicContact CB-CD1 4.44Å; N423-L427 WeakPolarHBondContact O-CG 3.28Å; N423-L427 PolarHBondContact O-N 2.89Å; L427-V429 PolarHBondContact O-N 2.69Å; L427-G430 PolarHBondContact O-N 2.74Å; L427-V431 WeakPolarHBondContact O-CG2 3.13Å; L427-V431 PolarHBondContact O-N 3.27Å
428A69.1Low70.7Confident48 Ų4885.7 Ų85.740%0.39750%0.499SS..Hα-helixtrans-63.8-40.1176.900000111.8G424 K425 V431 I432G424-A428 WeakPolarHBondContact O-CA 3.3Å; G424-A428 WeakPolarHBondContact O-CB 3.48Å; G424-A428 PolarHBondContact O-N 2.78Å; K425-A428 PolarHBondContact O-N 3Å; A428-V431 PolarHBondContact O-N 3.17Å; A428-I432 VanDerWaalsContact O-CB 3.31Å; A428-I432 WeakPolarHBondContact O-CB 3.1Å; A428-I432 WeakPolarHBondContact O-CD1 3.06Å; A428-I432 WeakPolarHBondContact O-CG1 3.39Å; A428-I432 PolarHBondContact O-N 2.89Å
429V74Confident71.7Confident79 Ų7983.1 Ų83.148%0.47950%0.497SS..Hα-helixtrans-63.5-44.4173.91690000110.7K425 A426 L427 V431 I432 L433K425-V429 WeakPolarHBondContact O-CB 3.4Å; K425-V429 WeakPolarHBondContact O-CG2 3.2Å; K425-V429 PolarHBondContact O-N 3.06Å; A426-V429 PolarHBondContact O-N 3.36Å; L427-V429 PolarHBondContact O-N 2.69Å; V429-V431 VanDerWaalsContact C-N 3.32Å; V429-V431 PolarHBondContact O-N 3.38Å; V429-I432 PolarHBondContact O-N 3.13Å; V429-L433 HydrophobicContact CG1-CD1 3.93Å; V429-L433 HydrophobicContact CG1-CG 4.31Å; V429-L433 WeakPolarHBondContact O-CB 3.21Å; V429-L433 VanDerWaalsContact O-CG 3.31Å; V429-L433 WeakPolarHBondContact O-CG 3.41Å; V429-L433 PolarHBondContact O-N 3.48Å
430G72.3Confident72.2Confident44 Ų4479.8 Ų79.845%0.45449%0.493SS..Hα-helixtrans-58.4-43.7174.700000112.4A426 L427 G434A426-G430 PolarHBondContact O-N 3.34Å; L427-G430 PolarHBondContact O-N 2.74Å; G430-G434 PolarHBondContact O-N 3.42Å
431V77.1Confident73.4Confident94 Ų9480.7 Ų80.757%0.5749%0.493SS*.Hα-helixtrans-67.3-43.1175.3173.50000111.6L427 A428 V429 L433 G434 V435L427-V431 WeakPolarHBondContact O-CG2 3.13Å; L427-V431 PolarHBondContact O-N 3.27Å; A428-V431 PolarHBondContact O-N 3.17Å; V429-V431 VanDerWaalsContact C-N 3.32Å; V429-V431 PolarHBondContact O-N 3.38Å; V431-L433 PolarHBondContact O-N 3.27Å; V431-G434 PolarHBondContact O-N 3.35Å; V431-V435 HydrophobicContact CG1-CG2 4.09Å; V431-V435 WeakPolarHBondContact O-CB 3.39Å; V431-V435 VanDerWaalsContact O-CG2 3.26Å; V431-V435 WeakPolarHBondContact O-CG2 3.33Å; V431-V435 PolarHBondContact O-N 2.97Å
432I75.6Confident74.5Confident116 Ų11684.6 Ų84.660%0.59549%0.493SS*.Hα-helixtrans-63-42177.7-72.4162.8000110.7A428 V429 G436A428-I432 VanDerWaalsContact O-CB 3.31Å; A428-I432 WeakPolarHBondContact O-CB 3.1Å; A428-I432 WeakPolarHBondContact O-CD1 3.06Å; A428-I432 WeakPolarHBondContact O-CG1 3.39Å; A428-I432 PolarHBondContact O-N 2.89Å; V429-I432 PolarHBondContact O-N 3.13Å; I432-G436 WeakPolarHBondContact O-CA 3.4Å; I432-G436 PolarHBondContact O-N 3.29Å
433L80.1Confident75.1Confident121 Ų12186.7 Ų86.763%0.63450%0.497SS*.Hα-helixtrans-64.4-42.7174.8-73.1172.4000111.1V429 V431 G436 A437V429-L433 HydrophobicContact CG1-CD1 3.93Å; V429-L433 HydrophobicContact CG1-CG 4.31Å; V429-L433 WeakPolarHBondContact O-CB 3.21Å; V429-L433 VanDerWaalsContact O-CG 3.31Å; V429-L433 WeakPolarHBondContact O-CG 3.41Å; V429-L433 PolarHBondContact O-N 3.48Å; V431-L433 PolarHBondContact O-N 3.27Å; L433-G436 PolarHBondContact O-N 2.88Å; L433-A437 WeakPolarHBondContact O-CB 3.48Å; L433-A437 PolarHBondContact O-N 2.89Å
434G75.5Confident75.8Confident42 Ų4290.6 Ų90.643%0.43351%0.507SS..Hα-helixtrans-63-48.1175.800000112.9G430 V431 A437 L438G430-G434 PolarHBondContact O-N 3.42Å; V431-G434 PolarHBondContact O-N 3.35Å; G434-A437 PolarHBondContact O-N 3.28Å; G434-L438 WeakPolarHBondContact O-CB 3.33Å; G434-L438 PolarHBondContact O-N 2.91Å
435V79.8Confident76.6Confident73 Ų7392.5 Ų92.544%0.44251%0.512SS..Hα-helixtrans-65.2-41.8176.71710000110.7V431 L438 I439V431-V435 HydrophobicContact CG1-CG2 4.09Å; V431-V435 WeakPolarHBondContact O-CB 3.39Å; V431-V435 VanDerWaalsContact O-CG2 3.26Å; V431-V435 WeakPolarHBondContact O-CG2 3.33Å; V431-V435 PolarHBondContact O-N 2.97Å; V435-L438 CarbonylContact O-C 3.49Å; V435-L438 PolarHBondContact O-N 2.75Å; V435-L438 VanDerWaalsContact O-N 3.17Å; V435-I439 HydrophobicContact CG1-CD1 3.66Å; V435-I439 HydrophobicContact CG1-CG1 4.19Å; V435-I439 WeakPolarHBondContact O-CB 3.07Å; V435-I439 VanDerWaalsContact O-CG1 3.3Å; V435-I439 WeakPolarHBondContact O-CG1 3.45Å; V435-I439 PolarHBondContact O-N 3.16Å
436G75.2Confident76.9Confident40 Ų4087 Ų8741%0.41250%0.495SS..Hα-helixtrans-62.4-42.6176.300000112.3I432 L433 L438 I439 G440I432-G436 WeakPolarHBondContact O-CA 3.4Å; I432-G436 PolarHBondContact O-N 3.29Å; L433-G436 PolarHBondContact O-N 2.88Å; G436-L438 VanDerWaalsContact C-N 3.31Å; G436-L438 PolarHBondContact O-N 2.76Å; G436-I439 PolarHBondContact O-N 3.38Å; G436-G440 PolarHBondContact O-N 3.46Å
437A81.4Confident77.2Confident68 Ų6889 Ų8956%0.56249%0.492SS*.Hα-helixtrans-61.9-40.1172.500000111.6L433 G434 W441L433-A437 WeakPolarHBondContact O-CB 3.48Å; L433-A437 PolarHBondContact O-N 2.89Å; G434-A437 PolarHBondContact O-N 3.28Å; A437-W441 VanDerWaalsContact O-CB 3.29Å; A437-W441 WeakPolarHBondContact O-CB 3.4Å; A437-W441 PolarHBondContact O-N 2.82Å
438L81.7Confident77.4Confident73 Ų7389.1 Ų89.138%0.38249%0.49SS..Hα-helixtrans-70.1-40.8179.1-155.3122.2000112.5G434 V435 G436 R442G434-L438 WeakPolarHBondContact O-CB 3.33Å; G434-L438 PolarHBondContact O-N 2.91Å; V435-L438 CarbonylContact O-C 3.49Å; V435-L438 PolarHBondContact O-N 2.75Å; V435-L438 VanDerWaalsContact O-N 3.17Å; G436-L438 VanDerWaalsContact C-N 3.31Å; G436-L438 PolarHBondContact O-N 2.76Å; L438-R442 WeakPolarHBondContact O-CB 3.14Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 2.96Å
439I81.6Confident77.6Confident105 Ų10591.1 Ų91.154%0.53850%0.497SS..Hα-helixtrans-65.2-46173.5-69.3170.5000110.1V435 G436 W441 R442 Y443V435-I439 HydrophobicContact CG1-CD1 3.66Å; V435-I439 HydrophobicContact CG1-CG1 4.19Å; V435-I439 WeakPolarHBondContact O-CB 3.07Å; V435-I439 VanDerWaalsContact O-CG1 3.3Å; V435-I439 WeakPolarHBondContact O-CG1 3.45Å; V435-I439 PolarHBondContact O-N 3.16Å; G436-I439 PolarHBondContact O-N 3.38Å; I439-W441 VanDerWaalsContact C-N 3.33Å; I439-W441 PolarHBondContact O-N 3.5Å; I439-R442 PolarHBondContact O-N 3Å; I439-Y443 WeakPolarHBondContact O-CB 3.19Å; I439-Y443 PolarHBondContact O-N 2.92Å
440G77.3Confident77.8Confident39 Ų3991.7 Ų91.740%0.40250%0.497SS..Hα-helixtrans-60.2-42.9177.100000112G436 Y443 W444G436-G440 PolarHBondContact O-N 3.46Å; G440-Y443 PolarHBondContact O-N 2.88Å; G440-W444 WeakPolarHBondContact O-CB 3.32Å; G440-W444 PolarHBondContact O-N 3.42Å
441W82.4Confident78Confident150 Ų15092.7 Ų92.757%0.56850%0.497SS*.Hα-helixtrans-63.7-42.317418060.7000112.5A437 I439 W444 N445A437-W441 VanDerWaalsContact O-CB 3.29Å; A437-W441 WeakPolarHBondContact O-CB 3.4Å; A437-W441 PolarHBondContact O-N 2.82Å; I439-W441 VanDerWaalsContact C-N 3.33Å; I439-W441 PolarHBondContact O-N 3.5Å; W441-W444 PolarHBondContact O-N 3.48Å; W441-N445 WeakPolarHBondContact CZ2-ND2 3.37Å; W441-N445 WeakPolarHBondContact O-CB 3.22Å; W441-N445 PolarHBondContact O-N 2.99Å
442R78Confident78Confident149 Ų14990.4 Ų90.456%0.56249%0.488SS*.Hα-helixtrans-65.1-43.1175.7-80.4-174.3174.8164.52.8112.7L438 I439 W444 N445 S446L438-R442 WeakPolarHBondContact O-CB 3.14Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 2.96Å; I439-R442 PolarHBondContact O-N 3Å; R442-W444 VanDerWaalsContact C-N 3.33Å; R442-N445 PolarHBondContact O-N 3.5Å; R442-S446 PolarHBondContact O-N 3.48Å; R442-S446 PolarHBondContact O-OG 3.07Å
443Y78.6Confident78Confident159 Ų15992.9 Ų92.962%0.62449%0.49SS*.Hα-helixtrans-62.5-42.2176.5-179.3-95.6000111.4I439 G440 S446 H447I439-Y443 WeakPolarHBondContact O-CB 3.19Å; I439-Y443 PolarHBondContact O-N 2.92Å; G440-Y443 PolarHBondContact O-N 2.88Å; Y443-S446 WeakPolarHBondContact CA-OG 3.5Å; Y443-S446 PolarHBondContact O-N 3.36Å; Y443-S446 PolarHBondContact O-OG 2.91Å; Y443-H447 VanDerWaalsContact O-CB 3.26Å; Y443-H447 WeakPolarHBondContact O-CB 3.39Å; Y443-H447 PolarHBondContact O-N 2.67Å
444W80.8Confident78Confident146 Ų14690.4 Ų90.455%0.55348%0.483SS*.Hα-helixtrans-62.4-43.7174.6-177.969.3000111.8G440 W441 R442 H447 Q448G440-W444 WeakPolarHBondContact O-CB 3.32Å; G440-W444 PolarHBondContact O-N 3.42Å; W441-W444 PolarHBondContact O-N 3.48Å; R442-W444 VanDerWaalsContact C-N 3.33Å; W444-H447 PolarHBondContact O-N 3.26Å; W444-Q448 HydrophobicContact CD2-CG 4.45Å; W444-Q448 HydrophobicContact CZ2-CG 4.49Å; W444-Q448 VanDerWaalsContact CZ2-NE2 3.31Å; W444-Q448 WeakPolarHBondContact O-CB 3.37Å; W444-Q448 WeakPolarHBondContact O-CG 3.23Å; W444-Q448 PolarHBondContact O-N 3Å
445N76.7Confident78.3Confident61 Ų6188.7 Ų88.733%0.32647%0.465SS..Hα-helixtrans-64.3-42.8175.3-82.9-3.3000112.7W441 R442 Q448 V449W441-N445 WeakPolarHBondContact CZ2-ND2 3.37Å; W441-N445 WeakPolarHBondContact O-CB 3.22Å; W441-N445 PolarHBondContact O-N 2.99Å; R442-N445 PolarHBondContact O-N 3.5Å; N445-Q448 PolarHBondContact O-N 3.43Å; N445-V449 WeakPolarHBondContact O-CG2 3.5Å; N445-V449 PolarHBondContact O-N 3.44Å
446S75Confident78.5Confident53 Ų5387.1 Ų87.137%0.37146%0.457SS..Hα-helixtrans-66.3-41.917864.80000111.1R442 Y443 Q448 V449 D450R442-S446 PolarHBondContact O-N 3.48Å; R442-S446 PolarHBondContact O-OG 3.07Å; Y443-S446 WeakPolarHBondContact CA-OG 3.5Å; Y443-S446 PolarHBondContact O-N 3.36Å; Y443-S446 PolarHBondContact O-OG 2.91Å; S446-Q448 VanDerWaalsContact C-N 3.32Å; S446-Q448 PolarHBondContact O-N 3.37Å; S446-V449 PolarHBondContact O-N 3.18Å; S446-V449 VanDerWaalsContact O-N 3.14Å; S446-D450 WeakPolarHBondContact O-CB 3.37Å; S446-D450 PolarHBondContact O-N 3.33Å
447H77.8Confident78.9Confident111 Ų11189.6 Ų89.651%0.51446%0.46SS..Hα-helixtrans-62.4-39.1177-166.467.1000112.2Y443 W444 S451Y443-H447 VanDerWaalsContact O-CB 3.26Å; Y443-H447 WeakPolarHBondContact O-CB 3.39Å; Y443-H447 PolarHBondContact O-N 2.67Å; W444-H447 PolarHBondContact O-N 3.26Å; H447-S451 WeakPolarHBondContact O-CB 3.32Å; H447-S451 PolarHBondContact O-N 3.11Å
448Q74.8Confident79.1Confident101 Ų10188.3 Ų88.347%0.47245%0.45SS..Hα-helixtrans-62-44.4172.5-73-95.544.800111.8W444 N445 S446 A452W444-Q448 HydrophobicContact CD2-CG 4.45Å; W444-Q448 HydrophobicContact CZ2-CG 4.49Å; W444-Q448 VanDerWaalsContact CZ2-NE2 3.31Å; W444-Q448 WeakPolarHBondContact O-CB 3.37Å; W444-Q448 WeakPolarHBondContact O-CG 3.23Å; W444-Q448 PolarHBondContact O-N 3Å; N445-Q448 PolarHBondContact O-N 3.43Å; S446-Q448 VanDerWaalsContact C-N 3.32Å; S446-Q448 PolarHBondContact O-N 3.37Å; Q448-A452 WeakPolarHBondContact O-CB 3.29Å; Q448-A452 PolarHBondContact O-N 3.18Å
449V74.9Confident79.3Confident90 Ų9087.1 Ų87.155%0.54544%0.44SS..Hα-helixtrans-66.7-43178.8171.10000111.7N445 S446 A452 R453N445-V449 WeakPolarHBondContact O-CG2 3.5Å; N445-V449 PolarHBondContact O-N 3.44Å; S446-V449 PolarHBondContact O-N 3.18Å; S446-V449 VanDerWaalsContact O-N 3.14Å; V449-A452 PolarHBondContact O-N 2.91Å; V449-R453 WeakPolarHBondContact O-CB 3.49Å; V449-R453 PolarHBondContact O-N 3.17Å
450D76.8Confident79.5Confident91 Ų9187.4 Ų87.449%0.48744%0.439SS..Hα-helixtrans-69.4-39.6179.8-70.6-28.1000111.8S446 A452 R453 S454S446-D450 WeakPolarHBondContact O-CB 3.37Å; S446-D450 PolarHBondContact O-N 3.33Å; D450-A452 VanDerWaalsContact C-N 3.34Å; D450-R453 PolarHBondContact O-N 3.41Å; D450-S454 WeakPolarHBondContact O-CB 3.5Å; D450-S454 PolarHBondContact O-N 3.49Å; D450-S454 PolarHBondContact O-OG 3.39Å
451S76.2Confident79.9Confident65 Ų6590.9 Ų90.946%0.45545%0.449SS..Hα-helixtrans-63.2-40.1172.6-177.70000111.5H447 S454 A455H447-S451 WeakPolarHBondContact O-CB 3.32Å; H447-S451 PolarHBondContact O-N 3.11Å; S451-S454 PolarHBondContact O-OG 3.49Å; S451-A455 WeakPolarHBondContact O-CB 3.24Å; S451-A455 PolarHBondContact O-N 3.32Å; S451-A455 VanDerWaalsContact O-N 3.08Å
452A77.4Confident80Confident45 Ų4584.3 Ų84.337%0.37243%0.427SS..Hα-helixtrans-66.8-40.7174.600000112.3Q448 V449 D450 S456Q448-A452 WeakPolarHBondContact O-CB 3.29Å; Q448-A452 PolarHBondContact O-N 3.18Å; V449-A452 PolarHBondContact O-N 2.91Å; D450-A452 VanDerWaalsContact C-N 3.34Å; A452-S456 WeakPolarHBondContact O-CB 3.45Å; A452-S456 PolarHBondContact O-N 3.02Å
453R76.8Confident80.2Confident168 Ų16878.3 Ų78.363%0.63441%0.407SS*.Hα-helixtrans-66.2-43.2178.2-178.4-179.2-104.3177.9-6.6111.9V449 D450 S456 L457V449-R453 WeakPolarHBondContact O-CB 3.49Å; V449-R453 PolarHBondContact O-N 3.17Å; D450-R453 PolarHBondContact O-N 3.41Å; R453-S456 WeakPolarHBondContact O-CB 3.49Å; R453-S456 PolarHBondContact O-N 3.36Å; R453-L457 HydrophobicContact CG-CD1 4.25Å; R453-L457 WeakPolarHBondContact O-CG 3.35Å; R453-L457 PolarHBondContact O-N 2.97Å
454S80.1Confident80.5Confident70 Ų7073.2 Ų73.249%0.4939%0.392SS..Hα-helixtrans-65.3-42.4177.763.80000111.5D450 S451 S456 L457 A458D450-S454 WeakPolarHBondContact O-CB 3.5Å; D450-S454 PolarHBondContact O-N 3.49Å; D450-S454 PolarHBondContact O-OG 3.39Å; S451-S454 PolarHBondContact O-OG 3.49Å; S454-S456 VanDerWaalsContact C-N 3.34Å; S454-S456 PolarHBondContact O-N 3.12Å; S454-L457 PolarHBondContact O-N 3.43Å; S454-A458 VanDerWaalsContact O-CB 3.32Å; S454-A458 WeakPolarHBondContact O-CB 3.41Å; S454-A458 PolarHBondContact O-N 2.86Å
455A81.4Confident80.7Confident6 Ų667.3 Ų67.35%0.0537%0.374CS..Hα-helixtrans-61-41.4172.300000112S451 A458 Y459 Y488S451-A455 WeakPolarHBondContact O-CB 3.24Å; S451-A455 PolarHBondContact O-N 3.32Å; S451-A455 VanDerWaalsContact O-N 3.08Å; A455-A458 PolarHBondContact O-N 2.93Å; A455-Y459 VanDerWaalsContact O-CB 3.23Å; A455-Y459 WeakPolarHBondContact O-CB 3.46Å; A455-Y459 PolarHBondContact O-N 2.65Å; A455-Y488 HydrophobicContact CB-CD2 3.85Å; A455-Y488 HydrophobicContact CB-CE2 4.3Å
456S83.3Confident81.1Confident39 Ų3964.5 Ų64.527%0.27336%0.359SS..Hα-helixtrans-63.5-43.7177.2-169.80000113A452 R453 S454 Q460 Y488A452-S456 WeakPolarHBondContact O-CB 3.45Å; A452-S456 PolarHBondContact O-N 3.02Å; R453-S456 WeakPolarHBondContact O-CB 3.49Å; R453-S456 PolarHBondContact O-N 3.36Å; S454-S456 VanDerWaalsContact C-N 3.34Å; S454-S456 PolarHBondContact O-N 3.12Å; S456-Q460 WeakPolarHBondContact O-CB 3.47Å; S456-Q460 PolarHBondContact O-N 3.21Å; S456-Y488 WeakPolarHBondContact CB-OH 3.31Å; S456-Y488 PolarHBondContact OG-OH 3.16Å
457L83.3Confident81.4Confident93 Ų9365.3 Ų65.349%0.48737%0.365SS..Hα-helixtrans-67.4-44.1178.3-76.1168.6000111.1R453 S454 Y459 Q460 N461R453-L457 HydrophobicContact CG-CD1 4.25Å; R453-L457 WeakPolarHBondContact O-CG 3.35Å; R453-L457 PolarHBondContact O-N 2.97Å; S454-L457 PolarHBondContact O-N 3.43Å; L457-Y459 VanDerWaalsContact C-N 3.34Å; L457-Y459 PolarHBondContact O-N 3.1Å; L457-Q460 PolarHBondContact O-N 3Å; L457-N461 WeakPolarHBondContact O-CB 3.24Å; L457-N461 VanDerWaalsContact O-CG 3.29Å; L457-N461 PolarHBondContact O-N 2.62Å; L457-N461 PolarHBondContact O-ND2 3.06Å
458A85.4Confident81.7Confident41 Ų4165.5 Ų65.534%0.33937%0.366SS..Hα-helixtrans-63-40.9176.500000111.8S454 A455 N461 A462 F480S454-A458 VanDerWaalsContact O-CB 3.32Å; S454-A458 WeakPolarHBondContact O-CB 3.41Å; S454-A458 PolarHBondContact O-N 2.86Å; A455-A458 PolarHBondContact O-N 2.93Å; A458-N461 PolarHBondContact O-N 3.08Å; A458-A462 WeakPolarHBondContact O-CB 3.1Å; A458-A462 PolarHBondContact O-N 2.91Å; A458-F480 HydrophobicContact CB-CD2 3.93Å; A458-F480 HydrophobicContact CB-CE2 3.47Å; A458-F480 VanDerWaalsContact CB-CE2 3.47Å; A458-F480 HydrophobicContact CB-CZ 4.47Å
459Y87.2Confident81.9Confident47 Ų4763.6 Ų63.618%0.18437%0.374CS..Hα-helixtrans-58.6-50.9171.5167.8-102.4000112A455 L457 N461 A462 V463 F480 Y488 L491 A492A455-Y459 VanDerWaalsContact O-CB 3.23Å; A455-Y459 WeakPolarHBondContact O-CB 3.46Å; A455-Y459 PolarHBondContact O-N 2.65Å; L457-Y459 VanDerWaalsContact C-N 3.34Å; L457-Y459 PolarHBondContact O-N 3.1Å; Y459-N461 VanDerWaalsContact C-N 3.28Å; Y459-N461 PolarHBondContact O-N 3.19Å; Y459-A462 PolarHBondContact O-N 3.43Å; Y459-V463 HydrophobicContact CD2-CG2 3.84Å; Y459-V463 HydrophobicContact CE1-CG2 4.41Å; Y459-V463 HydrophobicContact CE2-CB 4.42Å; Y459-V463 HydrophobicContact CE2-CG2 3.32Å; Y459-V463 PolarHBondContact O-N 3.46Å; Y459-F480 AromaticContact CD2-CE1 3.99Å; Y459-F480 HydrophobicContact CD2-CE1 3.99Å; Y459-F480 HydrophobicContact CG-CE1 4.4Å; Y459-Y488 AromaticContact CD1-CD1 3.84Å; Y459-Y488 HydrophobicContact CD1-CD1 3.84Å; Y459-Y488 HydrophobicContact CD1-CE1 4.38Å; Y459-Y488 HydrophobicContact CD2-CD1 4.43Å; Y459-Y488 WeakPolarHBondContact CD2-O 3.2Å; Y459-Y488 AromaticContact CG-CD1 3.76Å; Y459-Y488 HydrophobicContact CG-CD1 3.76Å; Y459-Y488 HydrophobicContact CG-CG 4.44Å; Y459-L491 HydrophobicContact CD2-CB 4.36Å; Y459-L491 HydrophobicContact CE2-CB 3.45Å; Y459-L491 VanDerWaalsContact CE2-CB 3.45Å; Y459-A492 HydrophobicContact CD2-CB 4.13Å; Y459-A492 HydrophobicContact CE2-CB 4.23Å
460Q85.2Confident82.3Confident111 Ų11164.4 Ų64.452%0.51937%0.37SS..Hα-helixtrans-58.9-42.7-179.5-173.4176.23.600111.1S456 L457 T464S456-Q460 WeakPolarHBondContact O-CB 3.47Å; S456-Q460 PolarHBondContact O-N 3.21Å; L457-Q460 PolarHBondContact O-N 3Å; Q460-T464 WeakPolarHBondContact O-CB 3.5Å; Q460-T464 PolarHBondContact O-N 2.88Å; Q460-T464 PolarHBondContact O-OG1 3.39Å
461N86.2Confident82.2Confident112 Ų11265.8 Ų65.860%0.59938%0.384SS*.Hα-helixtrans-64.4-44.6176.9-71.9-19.9000111.9L457 A458 Y459 A465L457-N461 WeakPolarHBondContact O-CB 3.24Å; L457-N461 VanDerWaalsContact O-CG 3.29Å; L457-N461 PolarHBondContact O-N 2.62Å; L457-N461 PolarHBondContact O-ND2 3.06Å; A458-N461 PolarHBondContact O-N 3.08Å; Y459-N461 VanDerWaalsContact C-N 3.28Å; Y459-N461 PolarHBondContact O-N 3.19Å; N461-A465 VanDerWaalsContact O-CB 3.27Å; N461-A465 WeakPolarHBondContact O-CB 3.44Å; N461-A465 PolarHBondContact O-N 2.91Å
462A84.5Confident82.4Confident13 Ų1369.1 Ų69.111%0.10740%0.396CS..Hα-helixtrans-63.1-50.3179.700000111.6A458 Y459 A465 V466 A477 F480A458-A462 WeakPolarHBondContact O-CB 3.1Å; A458-A462 PolarHBondContact O-N 2.91Å; Y459-A462 PolarHBondContact O-N 3.43Å; A462-A465 PolarHBondContact O-N 2.68Å; A462-V466 VanDerWaalsContact O-CG2 3.32Å; A462-V466 WeakPolarHBondContact O-CG2 3.38Å; A462-V466 PolarHBondContact O-N 3.38Å; A462-V466 VanDerWaalsContact O-N 3.09Å; A462-A477 HydrophobicContact CB-CB 4.27Å; A462-F480 HydrophobicContact CB-CB 4.25Å; A462-F480 HydrophobicContact CB-CD1 4.44Å; A462-F480 HydrophobicContact CB-CG 4.22Å
463V82.6Confident82.8Confident23 Ų2367.6 Ų67.614%0.13938%0.383CS..Hα-helixtrans-67.5-43.2-179.9166.10000112Y459 A465 V466 S467 E495Y459-V463 HydrophobicContact CD2-CG2 3.84Å; Y459-V463 HydrophobicContact CE1-CG2 4.41Å; Y459-V463 HydrophobicContact CE2-CB 4.42Å; Y459-V463 HydrophobicContact CE2-CG2 3.32Å; Y459-V463 PolarHBondContact O-N 3.46Å; V463-A465 VanDerWaalsContact C-N 3.33Å; V463-A465 PolarHBondContact O-N 2.92Å; V463-V466 PolarHBondContact O-N 3.07Å; V463-S467 WeakPolarHBondContact O-CB 3.38Å; V463-S467 PolarHBondContact O-N 3.4Å; V463-S467 PolarHBondContact O-OG 2.96Å; V463-E495 HydrophobicContact CG1-CG 4.04Å; V463-E495 HydrophobicContact CG2-CB 4.2Å; V463-E495 HydrophobicContact CG2-CG 4.31Å
464T84.4Confident83.4Confident52 Ų5260.8 Ų60.832%0.31936%0.359SS..Hα-helixtrans-60-46.1177.2-55.60000110.4Q460 V466 S467 E468Q460-T464 WeakPolarHBondContact O-CB 3.5Å; Q460-T464 PolarHBondContact O-N 2.88Å; Q460-T464 PolarHBondContact O-OG1 3.39Å; T464-V466 VanDerWaalsContact C-N 3.32Å; T464-V466 PolarHBondContact O-N 3.44Å; T464-S467 WeakPolarHBondContact CA-OG 3.47Å; T464-S467 PolarHBondContact O-N 3.44Å; T464-S467 PolarHBondContact O-OG 3.24Å; T464-E468 HydrophobicContact CG2-CG 4.3Å; T464-E468 WeakPolarHBondContact O-CB 3.31Å; T464-E468 WeakPolarHBondContact O-CG 3Å; T464-E468 PolarHBondContact O-N 2.93Å
465A85.4Confident83.9Confident21 Ų2161 Ų6117%0.17436%0.358CS..Hα-helixtrans-61.9-37.7178.300000113.3N461 A462 V463 G469 K470 S473N461-A465 VanDerWaalsContact O-CB 3.27Å; N461-A465 WeakPolarHBondContact O-CB 3.44Å; N461-A465 PolarHBondContact O-N 2.91Å; A462-A465 PolarHBondContact O-N 2.68Å; V463-A465 VanDerWaalsContact C-N 3.33Å; V463-A465 PolarHBondContact O-N 2.92Å; A465-G469 PolarHBondContact O-N 3.01Å; A465-K470 HydrophobicContact CB-CD 4.09Å; A465-K470 PolarHBondContact O-N 3.25Å; A465-K470 VanDerWaalsContact O-N 3.1Å; A465-S473 WeakPolarHBondContact O-CB 3.11Å
466V85Confident84.2Confident3 Ų363.4 Ų63.42%0.01838%0.378CS..Hα-helixtrans-66.5-47.5174.9169.10000111A462 V463 T464 E468 G469 A477 E495 Q499A462-V466 VanDerWaalsContact O-CG2 3.32Å; A462-V466 WeakPolarHBondContact O-CG2 3.38Å; A462-V466 PolarHBondContact O-N 3.38Å; A462-V466 VanDerWaalsContact O-N 3.09Å; V463-V466 PolarHBondContact O-N 3.07Å; T464-V466 VanDerWaalsContact C-N 3.32Å; T464-V466 PolarHBondContact O-N 3.44Å; V466-E468 VanDerWaalsContact C-N 3.31Å; V466-E468 PolarHBondContact O-N 3.33Å; V466-G469 PolarHBondContact O-N 3.08Å; V466-A477 HydrophobicContact CG2-CB 3.5Å; V466-E495 HydrophobicContact CG1-CG 4.28Å; V466-Q499 HydrophobicContact CG1-CG 3.48Å; V466-Q499 VanDerWaalsContact CG1-CG 3.48Å
467S80.3Confident84.5Confident70 Ų7061.6 Ų61.649%0.4937%0.366SS..Hα-helixtrans-64.2-32.8179.871.20000113.4V463 T464 G469V463-S467 WeakPolarHBondContact O-CB 3.38Å; V463-S467 PolarHBondContact O-N 3.4Å; V463-S467 PolarHBondContact O-OG 2.96Å; T464-S467 WeakPolarHBondContact CA-OG 3.47Å; T464-S467 PolarHBondContact O-N 3.44Å; T464-S467 PolarHBondContact O-OG 3.24Å; S467-G469 PolarHBondContact O-N 2.92Å
468E84.4Confident84.9Confident115 Ų11560.3 Ų60.354%0.53736%0.358SS..THydrogen-bonded Turntrans-78.9-2.9175.8-71.217816600113T464 V466 K470T464-E468 HydrophobicContact CG2-CG 4.3Å; T464-E468 WeakPolarHBondContact O-CB 3.31Å; T464-E468 WeakPolarHBondContact O-CG 3Å; T464-E468 PolarHBondContact O-N 2.93Å; V466-E468 VanDerWaalsContact C-N 3.31Å; V466-E468 PolarHBondContact O-N 3.33Å; E468-K470 VanDerWaalsContact C-N 3.28Å; E468-K470 HydrophobicContact CB-CG 4.3Å; E468-K470 PolarHBondContact O-N 2.95Å; E468-K470 WeakPolarHBondContact OE2-CE 3.29Å; E468-K470 IonicContact OE2-NZ 3.15Å; E468-K470 PolarHBondContact OE2-NZ 2.95Å
469G79.3Confident85.2Confident61 Ų6164.4 Ų64.463%0.62937%0.367SS*.THydrogen-bonded Turntrans66.327.4179.700000113.8A465 V466 S467A465-G469 PolarHBondContact O-N 3.01Å; V466-G469 PolarHBondContact O-N 3.08Å; S467-G469 PolarHBondContact O-N 2.92Å
470K83.4Confident85.4Confident107 Ų10763 Ų6347%0.46536%0.362SS..  trans-62.1143.5179.7-73.1-178.7177.9150.20111A465 E468 S473A465-K470 HydrophobicContact CB-CD 4.09Å; A465-K470 PolarHBondContact O-N 3.25Å; A465-K470 VanDerWaalsContact O-N 3.1Å; E468-K470 VanDerWaalsContact C-N 3.28Å; E468-K470 HydrophobicContact CB-CG 4.3Å; E468-K470 PolarHBondContact O-N 2.95Å; E468-K470 WeakPolarHBondContact OE2-CE 3.29Å; E468-K470 IonicContact OE2-NZ 3.15Å; E468-K470 PolarHBondContact OE2-NZ 2.95Å; K470-S473 VanDerWaalsContact O-CB 3.27Å; K470-S473 WeakPolarHBondContact O-CB 3.39Å; K470-S473 PolarHBondContact O-N 3.28Å; K470-S473 PolarHBondContact O-OG 3.34Å
471P75Confident85.7Confident120 Ų12057.7 Ų57.778%0.77934%0.338SS*.THydrogen-bonded Turntrans-53.2142.9170.6-20.831000110.9S473P471-S473 PolarHBondContact O-N 2.89Å
472D78.9Confident85.9Confident135 Ų13555 Ų5572%0.72233%0.331SS*.THydrogen-bonded Turntrans59.97.7178.3-52.1-38.4000116.7I474 P475 A476D472-I474 PolarHBondContact O-N 3.19Å; D472-P475 WeakPolarHBondContact O-CD 3.43Å; D472-A476 PolarHBondContact O-N 3.39Å
473S87.2Confident86.1Confident12 Ų1260.4 Ų60.48%0.08435%0.354CS..Hα-helixtrans-64.1-37.2178.656.80000113.3A465 K470 P471 A476 A477A465-S473 WeakPolarHBondContact O-CB 3.11Å; K470-S473 VanDerWaalsContact O-CB 3.27Å; K470-S473 WeakPolarHBondContact O-CB 3.39Å; K470-S473 PolarHBondContact O-N 3.28Å; K470-S473 PolarHBondContact O-OG 3.34Å; P471-S473 PolarHBondContact O-N 2.89Å; S473-A476 PolarHBondContact O-N 3.47Å; S473-A477 WeakPolarHBondContact O-CB 3.27Å; S473-A477 PolarHBondContact O-N 2.91Å
474I89.1Confident86.4Confident26 Ų2661 Ų6113%0.13336%0.356CS..Hα-helixtrans-62.9-54.9179.7-68.5175000111.2D472 A476 A477 E478 L496 F500D472-I474 PolarHBondContact O-N 3.19Å; I474-A476 VanDerWaalsContact C-N 3.26Å; I474-A476 PolarHBondContact O-N 2.78Å; I474-A477 PolarHBondContact O-N 2.75Å; I474-A477 VanDerWaalsContact O-N 3.14Å; I474-E478 HydrophobicContact CG2-CG 4.28Å; I474-E478 WeakPolarHBondContact O-CG 3.34Å; I474-E478 PolarHBondContact O-N 3Å; I474-L496 HydrophobicContact CG2-CD2 4.02Å; I474-F500 HydrophobicContact CG2-CE1 4.19Å; I474-F500 HydrophobicContact CG2-CZ 3.82Å
475P89.5Confident86.7Confident73 Ų7366.5 Ų66.547%0.47438%0.376SS..Hα-helixtrans-55.1-38.8174.8-2833000114D472 E478 K479D472-P475 WeakPolarHBondContact O-CD 3.43Å; P475-E478 PolarHBondContact O-N 3.39Å; P475-K479 WeakPolarHBondContact O-CB 3.49Å; P475-K479 PolarHBondContact O-N 2.92Å
476A88.1Confident86.8Confident57 Ų5768.1 Ų68.147%0.47138%0.381SS..Hα-helixtrans-66.5-41.9178.200000112.1D472 S473 I474 K479 F480D472-A476 PolarHBondContact O-N 3.39Å; S473-A476 PolarHBondContact O-N 3.47Å; I474-A476 VanDerWaalsContact C-N 3.26Å; I474-A476 PolarHBondContact O-N 2.78Å; A476-K479 PolarHBondContact O-N 3.23Å; A476-F480 WeakPolarHBondContact O-CB 3.19Å; A476-F480 PolarHBondContact O-N 2.97Å
477A90.6Very high86.9Confident2 Ų271 Ų712%0.01740%0.399CS..Hα-helixtrans-70.2-37.6175.600000112.4A462 V466 S473 I474 K479 F480 A481 L496A462-A477 HydrophobicContact CB-CB 4.27Å; V466-A477 HydrophobicContact CG2-CB 3.5Å; S473-A477 WeakPolarHBondContact O-CB 3.27Å; S473-A477 PolarHBondContact O-N 2.91Å; I474-A477 PolarHBondContact O-N 2.75Å; I474-A477 VanDerWaalsContact O-N 3.14Å; A477-K479 VanDerWaalsContact C-N 3.33Å; A477-F480 WeakPolarHBondContact O-CB 3.42Å; A477-F480 PolarHBondContact O-N 3.38Å; A477-A481 WeakPolarHBondContact O-CB 3.48Å; A477-A481 PolarHBondContact O-N 3.11Å; A477-L496 HydrophobicContact CB-CD1 4.16Å; A477-L496 HydrophobicContact CB-CD2 3.87Å; A477-L496 HydrophobicContact CB-CG 4.11Å
478E91.4Very high87.4Confident66 Ų6671 Ų7131%0.30839%0.389SS..Hα-helixtrans-61.1-44.3173.5-73.9-176.2120.600110.8I474 P475 A481 A482 L496 Q512I474-E478 HydrophobicContact CG2-CG 4.28Å; I474-E478 WeakPolarHBondContact O-CG 3.34Å; I474-E478 PolarHBondContact O-N 3Å; P475-E478 PolarHBondContact O-N 3.39Å; E478-A481 PolarHBondContact O-N 3.11Å; E478-A482 WeakPolarHBondContact O-CB 3.36Å; E478-A482 PolarHBondContact O-N 3.49Å; E478-L496 HydrophobicContact CB-CD1 4.38Å; E478-L496 HydrophobicContact CG-CD1 3.85Å; E478-L496 HydrophobicContact CG-CD2 3.99Å; E478-Q512 PolarHBondContact OE1-NE2 3.4Å
479K90.9Very high87.8Confident126 Ų12665.6 Ų65.655%0.54836%0.364SS..Hα-helixtrans-60.5-47173.7-177.1-178.9176-175.80111.3P475 A476 A477 A481 A482 E483P475-K479 WeakPolarHBondContact O-CB 3.49Å; P475-K479 PolarHBondContact O-N 2.92Å; A476-K479 PolarHBondContact O-N 3.23Å; A477-K479 VanDerWaalsContact C-N 3.33Å; K479-A481 PolarHBondContact O-N 3.34Å; K479-A482 PolarHBondContact O-N 3.01Å; K479-E483 VanDerWaalsContact CE-CD 3.44Å; K479-E483 WeakPolarHBondContact CE-OE1 3.48Å; K479-E483 WeakPolarHBondContact CE-OE2 3.34Å; K479-E483 HydrophobicContact CG-CG 4.36Å; K479-E483 IonicContact NZ-OE1 3.83Å; K479-E483 WeakPolarHBondContact O-CB 3.48Å; K479-E483 WeakPolarHBondContact O-CG 3.37Å; K479-E483 PolarHBondContact O-N 2.95Å
480F91.3Very high88.4Confident18 Ų1862.7 Ų62.78%0.07933%0.334CS..Hα-helixtrans-57.4-48177.1175.8-91.6000111.5A458 Y459 A462 A476 A477 A482 E483 N484 A492A458-F480 HydrophobicContact CB-CD2 3.93Å; A458-F480 HydrophobicContact CB-CE2 3.47Å; A458-F480 VanDerWaalsContact CB-CE2 3.47Å; A458-F480 HydrophobicContact CB-CZ 4.47Å; Y459-F480 AromaticContact CD2-CE1 3.99Å; Y459-F480 HydrophobicContact CD2-CE1 3.99Å; Y459-F480 HydrophobicContact CG-CE1 4.4Å; A462-F480 HydrophobicContact CB-CB 4.25Å; A462-F480 HydrophobicContact CB-CD1 4.44Å; A462-F480 HydrophobicContact CB-CG 4.22Å; A476-F480 WeakPolarHBondContact O-CB 3.19Å; A476-F480 PolarHBondContact O-N 2.97Å; A477-F480 WeakPolarHBondContact O-CB 3.42Å; A477-F480 PolarHBondContact O-N 3.38Å; F480-A482 VanDerWaalsContact C-N 3.34Å; F480-A482 PolarHBondContact O-N 3.43Å; F480-E483 PolarHBondContact O-N 3.19Å; F480-N484 VanDerWaalsContact CD2-ND2 3.31Å; F480-N484 WeakPolarHBondContact CD2-ND2 3.24Å; F480-N484 HydrophobicContact CE1-CB 4.41Å; F480-N484 HydrophobicContact CE2-CB 4.47Å; F480-N484 VanDerWaalsContact CE2-ND2 3.26Å; F480-N484 WeakPolarHBondContact CE2-ND2 3.49Å; F480-N484 HydrophobicContact CZ-CB 4.19Å; F480-N484 WeakPolarHBondContact O-CB 3.37Å; F480-N484 PolarHBondContact O-N 3.29Å; F480-N484 PolarHBondContact O-ND2 2.95Å; F480-A492 HydrophobicContact CD1-CB 3.68Å; F480-A492 HydrophobicContact CE1-CB 3.98Å
481A91.4Very high88.9Confident0 Ų060.1 Ų60.10%033%0.325CS..Hα-helixtrans-61.6-40.5178.100000112.1A477 E478 K479 A492 L496 Q515A477-A481 WeakPolarHBondContact O-CB 3.48Å; A477-A481 PolarHBondContact O-N 3.11Å; E478-A481 PolarHBondContact O-N 3.11Å; K479-A481 PolarHBondContact O-N 3.34Å; A481-A492 HydrophobicContact CB-CB 4.11Å; A481-L496 HydrophobicContact CB-CD1 4.3Å; A481-Q515 PolarHBondContact O-NE2 3.28Å
482A90.2Very high89.7Confident55 Ų5554.4 Ų54.446%0.45529%0.288SS..Hα-helixtrans-69.5-34.4178.800000113.8E478 K479 F480 Q515E478-A482 WeakPolarHBondContact O-CB 3.36Å; E478-A482 PolarHBondContact O-N 3.49Å; K479-A482 PolarHBondContact O-N 3.01Å; F480-A482 VanDerWaalsContact C-N 3.34Å; F480-A482 PolarHBondContact O-N 3.43Å; A482-Q515 VanDerWaalsContact N-NE2 3.19Å
483E89.6Confident90.5Very high126 Ų12648 Ų4859%0.58925%0.254SS*.Hα-helixtrans-82.1-24.9-179.1-70.6178.3167.600112.7K479 F480K479-E483 VanDerWaalsContact CE-CD 3.44Å; K479-E483 WeakPolarHBondContact CE-OE1 3.48Å; K479-E483 WeakPolarHBondContact CE-OE2 3.34Å; K479-E483 HydrophobicContact CG-CG 4.36Å; K479-E483 IonicContact NZ-OE1 3.83Å; K479-E483 WeakPolarHBondContact O-CB 3.48Å; K479-E483 WeakPolarHBondContact O-CG 3.37Å; K479-E483 PolarHBondContact O-N 2.95Å; F480-E483 PolarHBondContact O-N 3.19Å
484N89.5Confident90.8Very high35 Ų3548 Ų4819%0.18725%0.253CS..  trans-10886.9-173.9-69.1-88.8000112.5F480 N486 G489F480-N484 VanDerWaalsContact CD2-ND2 3.31Å; F480-N484 WeakPolarHBondContact CD2-ND2 3.24Å; F480-N484 HydrophobicContact CE1-CB 4.41Å; F480-N484 HydrophobicContact CE2-CB 4.47Å; F480-N484 VanDerWaalsContact CE2-ND2 3.26Å; F480-N484 WeakPolarHBondContact CE2-ND2 3.49Å; F480-N484 HydrophobicContact CZ-CB 4.19Å; F480-N484 WeakPolarHBondContact O-CB 3.37Å; F480-N484 PolarHBondContact O-N 3.29Å; F480-N484 PolarHBondContact O-ND2 2.95Å; N484-N486 PolarHBondContact O-N 3.25Å; N484-G489 VanDerWaalsContact O-CA 3.25Å; N484-G489 WeakPolarHBondContact O-CA 2.95Å
485K89.7Confident90.9Very high169 Ų16949.4 Ų49.474%0.73526%0.259SS*.  trans-77.561.7177.6-57.3-173.3-178.6-177.30112.9
486N87.5Confident91.1Very high54 Ų5446 Ų4629%0.28924%0.236SC..SBendtrans-150.1-175.8-179.162.935000110.5N484 Y488 G489 A490 D519N484-N486 PolarHBondContact O-N 3.25Å; N486-Y488 PolarHBondContact O-N 3.48Å; N486-Y488 VanDerWaalsContact O-N 3.14Å; N486-Y488 WeakPolarHBondContact OD1-CA 3.32Å; N486-Y488 WeakPolarHBondContact OD1-CB 3.29Å; N486-Y488 PolarHBondContact OD1-N 3.5Å; N486-G489 PolarHBondContact O-N 3.21Å; N486-G489 VanDerWaalsContact O-N 3.1Å; N486-G489 PolarHBondContact OD1-N 3.27Å; N486-A490 PolarHBondContact O-N 3.09Å; N486-D519 CarbonylContact C-O 3.57Å; N486-D519 WeakPolarHBondContact CA-O 3.38Å
487T88.2Confident91.5Very high65 Ų6543.4 Ų43.440%0.39922%0.215SC..Hα-helixtrans-54-34.7179.4-46.80000113.4A490 L491 L525T487-A490 PolarHBondContact O-N 3.1Å; T487-L491 HydrophobicContact CG2-CD1 4.36Å; T487-L491 VanDerWaalsContact O-CG 3.27Å; T487-L491 WeakPolarHBondContact O-CG 3.49Å; T487-L491 PolarHBondContact O-N 2.76Å; T487-L525 HydrophobicContact CG2-CD2 3.94Å
488Y90.5Very high91.6Very high70 Ų7046.9 Ų46.928%0.27523%0.231SC..Hα-helixtrans-71.3-39.5179.1-65.8-71000112.5A455 S456 Y459 N486 A490 L491 A492A455-Y488 HydrophobicContact CB-CD2 3.85Å; A455-Y488 HydrophobicContact CB-CE2 4.3Å; S456-Y488 WeakPolarHBondContact CB-OH 3.31Å; S456-Y488 PolarHBondContact OG-OH 3.16Å; Y459-Y488 AromaticContact CD1-CD1 3.84Å; Y459-Y488 HydrophobicContact CD1-CD1 3.84Å; Y459-Y488 HydrophobicContact CD1-CE1 4.38Å; Y459-Y488 HydrophobicContact CD2-CD1 4.43Å; Y459-Y488 WeakPolarHBondContact CD2-O 3.2Å; Y459-Y488 AromaticContact CG-CD1 3.76Å; Y459-Y488 HydrophobicContact CG-CD1 3.76Å; Y459-Y488 HydrophobicContact CG-CG 4.44Å; N486-Y488 PolarHBondContact O-N 3.48Å; N486-Y488 VanDerWaalsContact O-N 3.14Å; N486-Y488 WeakPolarHBondContact OD1-CA 3.32Å; N486-Y488 WeakPolarHBondContact OD1-CB 3.29Å; N486-Y488 PolarHBondContact OD1-N 3.5Å; Y488-A490 VanDerWaalsContact C-N 3.34Å; Y488-L491 PolarHBondContact O-N 3.08Å; Y488-A492 WeakPolarHBondContact O-CB 3.26Å; Y488-A492 PolarHBondContact O-N 3.17Å
489G91.6Very high91.6Very high0 Ų045.7 Ų45.70%023%0.226CC..Hα-helixtrans-63-42.2171.900000111.8N484 N486 L491 A492 S493N484-G489 VanDerWaalsContact O-CA 3.25Å; N484-G489 WeakPolarHBondContact O-CA 2.95Å; N486-G489 PolarHBondContact O-N 3.21Å; N486-G489 VanDerWaalsContact O-N 3.1Å; N486-G489 PolarHBondContact OD1-N 3.27Å; G489-L491 VanDerWaalsContact C-N 3.35Å; G489-L491 PolarHBondContact O-N 3.28Å; G489-A492 PolarHBondContact O-N 3.18Å; G489-A492 VanDerWaalsContact O-N 3.15Å; G489-S493 PolarHBondContact O-N 3.34Å; G489-S493 PolarHBondContact O-OG 3.18Å
490A93.4Very high91.8Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-61.3-40.6175.700000113N486 T487 Y488 S493 L494 G516 D519 T520 L525 I529N486-A490 PolarHBondContact O-N 3.09Å; T487-A490 PolarHBondContact O-N 3.1Å; Y488-A490 VanDerWaalsContact C-N 3.34Å; A490-S493 PolarHBondContact O-N 3.02Å; A490-L494 PolarHBondContact O-N 3.38Å; A490-L494 VanDerWaalsContact O-N 3.1Å; A490-G516 WeakPolarHBondContact CB-O 3.47Å; A490-D519 HydrophobicContact CB-CB 4.38Å; A490-T520 HydrophobicContact CB-CG2 4.3Å; A490-L525 HydrophobicContact CB-CD2 4.12Å; A490-I529 HydrophobicContact CB-CD1 4.48Å
491L93.2Very high91.9Very high53 Ų5341 Ų4128%0.27721%0.208SC..Hα-helixtrans-67.1-38.7174-71.4171.9000112.1Y459 T487 Y488 G489 L494 E495 L525Y459-L491 HydrophobicContact CD2-CB 4.36Å; Y459-L491 HydrophobicContact CE2-CB 3.45Å; Y459-L491 VanDerWaalsContact CE2-CB 3.45Å; T487-L491 HydrophobicContact CG2-CD1 4.36Å; T487-L491 VanDerWaalsContact O-CG 3.27Å; T487-L491 WeakPolarHBondContact O-CG 3.49Å; T487-L491 PolarHBondContact O-N 2.76Å; Y488-L491 PolarHBondContact O-N 3.08Å; G489-L491 VanDerWaalsContact C-N 3.35Å; G489-L491 PolarHBondContact O-N 3.28Å; L491-L494 HydrophobicContact CD2-CD1 4.28Å; L491-L494 WeakPolarHBondContact O-CB 3.27Å; L491-L494 PolarHBondContact O-N 2.77Å; L491-E495 PolarHBondContact O-N 3.01Å; L491-E495 VanDerWaalsContact O-N 3.13Å; L491-L525 HydrophobicContact CD2-CD1 4.1Å; L491-L525 HydrophobicContact CD2-CD2 4.38Å; L491-L525 HydrophobicContact CG-CD2 4.49Å
492A92.3Very high91.9Very high1 Ų146.1 Ų46.11%0.00824%0.236CC..Hα-helixtrans-64.5-41.6176.100000111.4Y459 F480 A481 Y488 G489 L494 E495 L496Y459-A492 HydrophobicContact CD2-CB 4.13Å; Y459-A492 HydrophobicContact CE2-CB 4.23Å; F480-A492 HydrophobicContact CD1-CB 3.68Å; F480-A492 HydrophobicContact CE1-CB 3.98Å; A481-A492 HydrophobicContact CB-CB 4.11Å; Y488-A492 WeakPolarHBondContact O-CB 3.26Å; Y488-A492 PolarHBondContact O-N 3.17Å; G489-A492 PolarHBondContact O-N 3.18Å; G489-A492 VanDerWaalsContact O-N 3.15Å; A492-L494 VanDerWaalsContact C-N 3.29Å; A492-L494 PolarHBondContact O-N 3.23Å; A492-E495 PolarHBondContact O-N 3.41Å; A492-L496 WeakPolarHBondContact O-CB 3.21Å; A492-L496 WeakPolarHBondContact O-CG 3.22Å; A492-L496 PolarHBondContact O-N 2.84Å
493S94.9Very high92Very high0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-60.4-35.7172.6-76.10000113G489 A490 A497 Q512G489-S493 PolarHBondContact O-N 3.34Å; G489-S493 PolarHBondContact O-OG 3.18Å; A490-S493 PolarHBondContact O-N 3.02Å; S493-A497 VanDerWaalsContact O-CB 3.25Å; S493-A497 WeakPolarHBondContact O-CB 3.27Å; S493-A497 PolarHBondContact O-N 2.82Å; S493-Q512 VanDerWaalsContact CB-O 3.29Å; S493-Q512 WeakPolarHBondContact CB-O 3.29Å; S493-Q512 PolarHBondContact OG-OE1 3.34Å
494L94.3Very high92.2Very high12 Ų1248.8 Ų48.86%0.06324%0.241CC..Hα-helixtrans-65.2-41.4174.7-84.8168.3000112.7A490 L491 A492 Q498 L513 L525 I529A490-L494 PolarHBondContact O-N 3.38Å; A490-L494 VanDerWaalsContact O-N 3.1Å; L491-L494 HydrophobicContact CD2-CD1 4.28Å; L491-L494 WeakPolarHBondContact O-CB 3.27Å; L491-L494 PolarHBondContact O-N 2.77Å; A492-L494 VanDerWaalsContact C-N 3.29Å; A492-L494 PolarHBondContact O-N 3.23Å; L494-Q498 PolarHBondContact O-N 3.2Å; L494-Q498 VanDerWaalsContact O-N 3.16Å; L494-L513 HydrophobicContact CD2-CD2 3.69Å; L494-L525 HydrophobicContact CD1-CD1 3.56Å; L494-I529 HydrophobicContact CD1-CD1 4.36Å; L494-I529 HydrophobicContact CD1-CG1 3.86Å; L494-I529 HydrophobicContact CD2-CG1 3.75Å; L494-I529 HydrophobicContact CG-CD1 4.49Å; L494-I529 HydrophobicContact CG-CG1 3.85Å
495E91.5Very high92.5Very high55 Ų5550.5 Ų50.526%0.25725%0.248SC..Hα-helixtrans-67.5-46177.1-170.464.3-153.100111.1V463 V466 L491 A492 A497 Q498 Q499V463-E495 HydrophobicContact CG1-CG 4.04Å; V463-E495 HydrophobicContact CG2-CB 4.2Å; V463-E495 HydrophobicContact CG2-CG 4.31Å; V466-E495 HydrophobicContact CG1-CG 4.28Å; L491-E495 PolarHBondContact O-N 3.01Å; L491-E495 VanDerWaalsContact O-N 3.13Å; A492-E495 PolarHBondContact O-N 3.41Å; E495-A497 VanDerWaalsContact C-N 3.3Å; E495-A497 PolarHBondContact O-N 3.3Å; E495-Q498 WeakPolarHBondContact O-CB 3.31Å; E495-Q498 PolarHBondContact O-N 3.26Å; E495-Q498 VanDerWaalsContact O-N 3.15Å; E495-Q499 WeakPolarHBondContact O-CG 3.44Å; E495-Q499 PolarHBondContact O-N 3.31Å; E495-Q499 VanDerWaalsContact O-N 3.09Å
496L93.4Very high92.9Very high1 Ų143.4 Ų43.41%0.00522%0.218CC..Hα-helixtrans-58.4-42.9174.5-77.3166000111.9I474 A477 E478 A481 A492 Q498 Q499 F500 Q512I474-L496 HydrophobicContact CG2-CD2 4.02Å; A477-L496 HydrophobicContact CB-CD1 4.16Å; A477-L496 HydrophobicContact CB-CD2 3.87Å; A477-L496 HydrophobicContact CB-CG 4.11Å; E478-L496 HydrophobicContact CB-CD1 4.38Å; E478-L496 HydrophobicContact CG-CD1 3.85Å; E478-L496 HydrophobicContact CG-CD2 3.99Å; A481-L496 HydrophobicContact CB-CD1 4.3Å; A492-L496 WeakPolarHBondContact O-CB 3.21Å; A492-L496 WeakPolarHBondContact O-CG 3.22Å; A492-L496 PolarHBondContact O-N 2.84Å; L496-Q498 VanDerWaalsContact C-N 3.3Å; L496-Q498 PolarHBondContact O-N 3.36Å; L496-Q499 WeakPolarHBondContact O-CB 3.3Å; L496-Q499 PolarHBondContact O-N 3.4Å; L496-F500 HydrophobicContact CB-CE2 4.35Å; L496-F500 WeakPolarHBondContact O-CD2 3.17Å; L496-F500 PolarHBondContact O-N 3.22Å; L496-Q512 HydrophobicContact CB-CG 4.02Å
497A95.2Very high93.3Very high4 Ų447.9 Ų47.93%0.03324%0.237CC..Hα-helixtrans-60.9-40.2177.300000111.9S493 E495 F500 V501 A509 Q512 L513S493-A497 VanDerWaalsContact O-CB 3.25Å; S493-A497 WeakPolarHBondContact O-CB 3.27Å; S493-A497 PolarHBondContact O-N 2.82Å; E495-A497 VanDerWaalsContact C-N 3.3Å; E495-A497 PolarHBondContact O-N 3.3Å; A497-F500 PolarHBondContact O-N 3.43Å; A497-V501 WeakPolarHBondContact O-CG2 3.44Å; A497-V501 PolarHBondContact O-N 2.98Å; A497-A509 HydrophobicContact CB-CB 4.41Å; A497-A509 WeakPolarHBondContact O-CB 3.38Å; A497-Q512 HydrophobicContact CB-CB 4.12Å; A497-L513 HydrophobicContact CB-CD1 4.12Å; A497-L513 HydrophobicContact CB-CD2 3.87Å; A497-L513 HydrophobicContact CB-CG 3.61Å
498Q93.2Very high93.7Very high74 Ų7449.6 Ų49.635%0.34624%0.239SC..Hα-helixtrans-61.1-46.7175.2-176.758.953.200111.2L494 E495 L496 F500 V501 D502L494-Q498 PolarHBondContact O-N 3.2Å; L494-Q498 VanDerWaalsContact O-N 3.16Å; E495-Q498 WeakPolarHBondContact O-CB 3.31Å; E495-Q498 PolarHBondContact O-N 3.26Å; E495-Q498 VanDerWaalsContact O-N 3.15Å; L496-Q498 VanDerWaalsContact C-N 3.3Å; L496-Q498 PolarHBondContact O-N 3.36Å; Q498-F500 VanDerWaalsContact C-N 3.31Å; Q498-F500 PolarHBondContact O-N 3.46Å; Q498-V501 WeakPolarHBondContact O-CB 3.21Å; Q498-V501 PolarHBondContact O-N 3.36Å; Q498-V501 VanDerWaalsContact O-N 3.13Å; Q498-D502 PolarHBondContact NE2-OD1 2.83Å; Q498-D502 PolarHBondContact O-N 3.29Å
499Q91.8Very high94Very high42 Ų4246.3 Ų46.320%0.19623%0.226CC..Hα-helixtrans-60.3-39.7177.4-67.6-69.7-28.800112.8V466 E495 L496 D502 K503V466-Q499 HydrophobicContact CG1-CG 3.48Å; V466-Q499 VanDerWaalsContact CG1-CG 3.48Å; E495-Q499 WeakPolarHBondContact O-CG 3.44Å; E495-Q499 PolarHBondContact O-N 3.31Å; E495-Q499 VanDerWaalsContact O-N 3.09Å; L496-Q499 WeakPolarHBondContact O-CB 3.3Å; L496-Q499 PolarHBondContact O-N 3.4Å; Q499-D502 PolarHBondContact O-N 3.47Å; Q499-K503 WeakPolarHBondContact O-CG 3.42Å; Q499-K503 PolarHBondContact O-N 3.34Å; Q499-K503 VanDerWaalsContact O-N 3.08Å
500F94.7Very high94.3Very high5 Ų546.7 Ų46.72%0.02223%0.23CC..Hα-helixtrans-69-35.9175.8-71.7-49000112.4I474 L496 A497 Q498 K503 N504 E505 K508 A509 Q512I474-F500 HydrophobicContact CG2-CE1 4.19Å; I474-F500 HydrophobicContact CG2-CZ 3.82Å; L496-F500 HydrophobicContact CB-CE2 4.35Å; L496-F500 WeakPolarHBondContact O-CD2 3.17Å; L496-F500 PolarHBondContact O-N 3.22Å; A497-F500 PolarHBondContact O-N 3.43Å; Q498-F500 VanDerWaalsContact C-N 3.31Å; Q498-F500 PolarHBondContact O-N 3.46Å; F500-K503 CarbonylContact O-C 3.54Å; F500-K503 PolarHBondContact O-N 3.04Å; F500-N504 PolarHBondContact O-N 2.78Å; F500-N504 VanDerWaalsContact O-N 3.15Å; F500-E505 HydrophobicContact CB-CB 4.23Å; F500-E505 HydrophobicContact CD1-CB 4.1Å; F500-E505 VanDerWaalsContact CD1-OE2 3.25Å; F500-E505 WeakPolarHBondContact CD1-OE2 3.44Å; F500-E505 WeakPolarHBondContact CE1-OE2 3.35Å; F500-E505 WeakPolarHBondContact O-CA 3.47Å; F500-E505 PolarHBondContact O-N 3.02Å; F500-K508 HydrophobicContact CB-CB 4.24Å; F500-K508 HydrophobicContact CD1-CB 3.91Å; F500-K508 HydrophobicContact CD1-CD 3.95Å; F500-K508 HydrophobicContact CD2-CB 3.75Å; F500-K508 HydrophobicContact CE1-CB 4.17Å; F500-K508 HydrophobicContact CE1-CD 3.61Å; F500-K508 HydrophobicContact CE2-CB 4Å; F500-K508 HydrophobicContact CG-CB 3.7Å; F500-K508 HydrophobicContact CZ-CB 4.21Å; F500-K508 HydrophobicContact CZ-CD 3.94Å; F500-A509 HydrophobicContact CB-CB 3.83Å; F500-Q512 HydrophobicContact CD2-CG 3.94Å; F500-Q512 HydrophobicContact CE2-CG 3.75Å
501V94.9Very high94.4Very high40 Ų4049.2 Ų49.224%0.24225%0.251CS..Hα-helixtrans-62.5-45.4171.9170.90000110.9A497 Q498 K503 N504 L506 A509 V536A497-V501 WeakPolarHBondContact O-CG2 3.44Å; A497-V501 PolarHBondContact O-N 2.98Å; Q498-V501 WeakPolarHBondContact O-CB 3.21Å; Q498-V501 PolarHBondContact O-N 3.36Å; Q498-V501 VanDerWaalsContact O-N 3.13Å; V501-K503 PolarHBondContact O-N 2.97Å; V501-N504 WeakPolarHBondContact O-CA 3.32Å; V501-N504 PolarHBondContact O-N 3.28Å; V501-L506 HydrophobicContact CG2-CD2 4.33Å; V501-A509 HydrophobicContact CG2-CB 3.69Å; V501-V536 HydrophobicContact CG2-CG2 3.79Å
502D91Very high94.6Very high108 Ų10847.3 Ų47.358%0.57824%0.24SC*.Hα-helixtrans-63.5-30.9179.6-65.1-20.4000112.1Q498 Q499 N504Q498-D502 PolarHBondContact NE2-OD1 2.83Å; Q498-D502 PolarHBondContact O-N 3.29Å; Q499-D502 PolarHBondContact O-N 3.47Å; D502-N504 VanDerWaalsContact C-N 3.29Å
503K91.8Very high94.8Very high111 Ų11147.4 Ų47.448%0.48324%0.24SC..THydrogen-bonded Turntrans-84.63.5172.8-67.1179.4-177.6-173.70114.1Q499 F500 V501 E505Q499-K503 WeakPolarHBondContact O-CG 3.42Å; Q499-K503 PolarHBondContact O-N 3.34Å; Q499-K503 VanDerWaalsContact O-N 3.08Å; F500-K503 CarbonylContact O-C 3.54Å; F500-K503 PolarHBondContact O-N 3.04Å; V501-K503 PolarHBondContact O-N 2.97Å; K503-E505 HydrophobicContact CB-CG 4.12Å; K503-E505 PolarHBondContact O-N 3.43Å
504N94.2Very high94.9Very high126 Ų12652.6 Ų52.667%0.67427%0.265SS*.THydrogen-bonded Turntrans58.325.3-175.6-16451.2000114F500 V501 D502 L506F500-N504 PolarHBondContact O-N 2.78Å; F500-N504 VanDerWaalsContact O-N 3.15Å; V501-N504 WeakPolarHBondContact O-CA 3.32Å; V501-N504 PolarHBondContact O-N 3.28Å; D502-N504 VanDerWaalsContact C-N 3.29Å; N504-L506 VanDerWaalsContact C-N 3.34Å; N504-L506 PolarHBondContact O-N 2.91Å
505E95.9Very high94.9Very high70 Ų7054.6 Ų54.633%0.32727%0.274SS..  trans-92.660.6175.8-62.9-172.6178.400110.6F500 K503 E507 K508 A509F500-E505 HydrophobicContact CB-CB 4.23Å; F500-E505 HydrophobicContact CD1-CB 4.1Å; F500-E505 VanDerWaalsContact CD1-OE2 3.25Å; F500-E505 WeakPolarHBondContact CD1-OE2 3.44Å; F500-E505 WeakPolarHBondContact CE1-OE2 3.35Å; F500-E505 WeakPolarHBondContact O-CA 3.47Å; F500-E505 PolarHBondContact O-N 3.02Å; K503-E505 HydrophobicContact CB-CG 4.12Å; K503-E505 PolarHBondContact O-N 3.43Å; E505-E507 VanDerWaalsContact C-N 3.32Å; E505-E507 PolarHBondContact O-N 2.93Å; E505-K508 HydrophobicContact CB-CB 4.44Å; E505-K508 PolarHBondContact O-N 3.18Å; E505-K508 VanDerWaalsContact O-N 3.09Å; E505-K508 IonicContact OE1-NZ 3.73Å; E505-K508 VanDerWaalsContact OE2-CD 3.23Å; E505-K508 WeakPolarHBondContact OE2-CD 3.34Å; E505-K508 VanDerWaalsContact OE2-CE 3.27Å; E505-K508 WeakPolarHBondContact OE2-CE 3.43Å; E505-K508 IonicContact OE2-NZ 2.71Å; E505-K508 PolarHBondContact OE2-NZ 3.43Å; E505-A509 PolarHBondContact O-N 3.06Å; E505-A509 VanDerWaalsContact O-N 3.13Å
506L96.7Very high95.1Very high20 Ų2052 Ų5211%0.10526%0.262CS..Hα-helixtrans-60.7-33.1-167.8-61.3179.5000114.8V501 N504 A509 A510 V536 Q539 L540V501-L506 HydrophobicContact CG2-CD2 4.33Å; N504-L506 VanDerWaalsContact C-N 3.34Å; N504-L506 PolarHBondContact O-N 2.91Å; L506-A509 PolarHBondContact O-N 3.06Å; L506-A510 PolarHBondContact O-N 2.88Å; L506-V536 HydrophobicContact CB-CG1 4.18Å; L506-V536 HydrophobicContact CD2-CG1 4.5Å; L506-V536 VanDerWaalsContact O-CG1 3.26Å; L506-V536 WeakPolarHBondContact O-CG1 3.48Å; L506-Q539 HydrophobicContact CD1-CB 3.67Å; L506-Q539 VanDerWaalsContact CD2-OE1 3.25Å; L506-L540 HydrophobicContact CB-CD1 4.29Å; L506-L540 HydrophobicContact CB-CD2 3.54Å; L506-L540 HydrophobicContact CB-CG 3.79Å; L506-L540 HydrophobicContact CD1-CD2 4.19Å; L506-L540 HydrophobicContact CD1-CG 4.31Å
507E97.1Very high95.1Very high148 Ų14854.3 Ų54.369%0.69227%0.274SS*.Hα-helixtrans-66.4-38.5176.9-66.9-174.4170.900112.1E505 A510 A511 L540E505-E507 VanDerWaalsContact C-N 3.32Å; E505-E507 PolarHBondContact O-N 2.93Å; E507-A510 PolarHBondContact O-N 3.33Å; E507-A511 PolarHBondContact O-N 3.46Å; E507-L540 HydrophobicContact CG-CD2 4.01Å
508K96Very high95Very high102 Ų10258.1 Ų58.144%0.44331%0.305SS..Hα-helixtrans-69.6-38.8175.5-62.9-167.2-163.4160.70111.3F500 E505 A510 A511 Q512F500-K508 HydrophobicContact CB-CB 4.24Å; F500-K508 HydrophobicContact CD1-CB 3.91Å; F500-K508 HydrophobicContact CD1-CD 3.95Å; F500-K508 HydrophobicContact CD2-CB 3.75Å; F500-K508 HydrophobicContact CE1-CB 4.17Å; F500-K508 HydrophobicContact CE1-CD 3.61Å; F500-K508 HydrophobicContact CE2-CB 4Å; F500-K508 HydrophobicContact CG-CB 3.7Å; F500-K508 HydrophobicContact CZ-CB 4.21Å; F500-K508 HydrophobicContact CZ-CD 3.94Å; E505-K508 HydrophobicContact CB-CB 4.44Å; E505-K508 PolarHBondContact O-N 3.18Å; E505-K508 VanDerWaalsContact O-N 3.09Å; E505-K508 IonicContact OE1-NZ 3.73Å; E505-K508 VanDerWaalsContact OE2-CD 3.23Å; E505-K508 WeakPolarHBondContact OE2-CD 3.34Å; E505-K508 VanDerWaalsContact OE2-CE 3.27Å; E505-K508 WeakPolarHBondContact OE2-CE 3.43Å; E505-K508 IonicContact OE2-NZ 2.71Å; E505-K508 PolarHBondContact OE2-NZ 3.43Å; K508-A510 VanDerWaalsContact C-N 3.32Å; K508-A510 PolarHBondContact O-N 3.38Å; K508-A511 PolarHBondContact O-N 3.5Å; K508-Q512 WeakPolarHBondContact O-CG 3.32Å; K508-Q512 PolarHBondContact O-N 3.43Å
509A97Very high95Very high0 Ų055.8 Ų55.80%030%0.296CS..Hα-helixtrans-58.6-44.917300000111.7A497 F500 V501 E505 L506 Q512 L513 V536A497-A509 HydrophobicContact CB-CB 4.41Å; A497-A509 WeakPolarHBondContact O-CB 3.38Å; F500-A509 HydrophobicContact CB-CB 3.83Å; V501-A509 HydrophobicContact CG2-CB 3.69Å; E505-A509 PolarHBondContact O-N 3.06Å; E505-A509 VanDerWaalsContact O-N 3.13Å; L506-A509 PolarHBondContact O-N 3.06Å; A509-Q512 PolarHBondContact O-N 2.68Å; A509-L513 WeakPolarHBondContact O-CD1 3.37Å; A509-L513 VanDerWaalsContact O-CG 3.29Å; A509-L513 WeakPolarHBondContact O-CG 3.35Å; A509-L513 PolarHBondContact O-N 2.98Å; A509-V536 HydrophobicContact CB-CG1 4.29Å; A509-V536 HydrophobicContact CB-CG2 4.32Å
510A97.5Very high94.9Very high9 Ų954.2 Ų54.27%0.07429%0.289CS..Hα-helixtrans-62.8-42.6176.700000112.3L506 E507 K508 L513 Q514 L533 V536 L540L506-A510 PolarHBondContact O-N 2.88Å; E507-A510 PolarHBondContact O-N 3.33Å; K508-A510 VanDerWaalsContact C-N 3.32Å; K508-A510 PolarHBondContact O-N 3.38Å; A510-L513 PolarHBondContact O-N 3.29Å; A510-Q514 WeakPolarHBondContact O-CG 3.35Å; A510-Q514 PolarHBondContact O-N 3.45Å; A510-L533 HydrophobicContact CB-CD1 3.99Å; A510-V536 HydrophobicContact CB-CG1 4.02Å; A510-L540 HydrophobicContact CB-CD1 4.29Å
511A96.6Very high94.6Very high53 Ų5358.9 Ų58.944%0.43832%0.322SS..Hα-helixtrans-61.6-44.3177.200000112.2E507 K508 Q514 Q515E507-A511 PolarHBondContact O-N 3.46Å; K508-A511 PolarHBondContact O-N 3.5Å; A511-Q514 PolarHBondContact O-N 3.1Å; A511-Q515 PolarHBondContact O-N 3.26Å
512Q96.2Very high94.4Very high12 Ų1260.6 Ų60.66%0.05633%0.33CS..Hα-helixtrans-63.4-42.8176.3-71.8-61.1-27.300111.9E478 S493 L496 A497 F500 K508 A509 Q514 Q515 G516E478-Q512 PolarHBondContact OE1-NE2 3.4Å; S493-Q512 VanDerWaalsContact CB-O 3.29Å; S493-Q512 WeakPolarHBondContact CB-O 3.29Å; S493-Q512 PolarHBondContact OG-OE1 3.34Å; L496-Q512 HydrophobicContact CB-CG 4.02Å; A497-Q512 HydrophobicContact CB-CB 4.12Å; F500-Q512 HydrophobicContact CD2-CG 3.94Å; F500-Q512 HydrophobicContact CE2-CG 3.75Å; K508-Q512 WeakPolarHBondContact O-CG 3.32Å; K508-Q512 PolarHBondContact O-N 3.43Å; A509-Q512 PolarHBondContact O-N 2.68Å; Q512-Q514 VanDerWaalsContact C-N 3.33Å; Q512-Q514 PolarHBondContact O-N 3.46Å; Q512-Q515 PolarHBondContact O-N 2.91Å; Q512-G516 PolarHBondContact O-N 3.5Å
513L97.5Very high94.4Very high3 Ų361.7 Ų61.72%0.01633%0.331CS..Hα-helixtrans-63.3-38.6176.6-69.9163.6000112.3L494 A497 A509 A510 G516 L517 I529 R532 L533 V536L494-L513 HydrophobicContact CD2-CD2 3.69Å; A497-L513 HydrophobicContact CB-CD1 4.12Å; A497-L513 HydrophobicContact CB-CD2 3.87Å; A497-L513 HydrophobicContact CB-CG 3.61Å; A509-L513 WeakPolarHBondContact O-CD1 3.37Å; A509-L513 VanDerWaalsContact O-CG 3.29Å; A509-L513 WeakPolarHBondContact O-CG 3.35Å; A509-L513 PolarHBondContact O-N 2.98Å; A510-L513 PolarHBondContact O-N 3.29Å; L513-G516 PolarHBondContact O-N 2.98Å; L513-L517 WeakPolarHBondContact O-CB 3.34Å; L513-L517 PolarHBondContact O-N 3.08Å; L513-I529 HydrophobicContact CB-CG2 4.23Å; L513-I529 HydrophobicContact CD2-CG2 4.16Å; L513-I529 WeakPolarHBondContact O-CG2 3.37Å; L513-R532 HydrophobicContact CD1-CB 4.09Å; L513-R532 HydrophobicContact CD2-CB 3.88Å; L513-L533 HydrophobicContact CB-CB 4.09Å; L513-L533 HydrophobicContact CB-CD1 4.12Å; L513-L533 HydrophobicContact CD1-CB 4.17Å; L513-L533 HydrophobicContact CD1-CD1 4.47Å; L513-V536 HydrophobicContact CD1-CG2 4.02Å
514Q96.4Very high94.3Very high110 Ų11061.3 Ų61.351%0.51434%0.335SS..Hα-helixtrans-65.9-39.9175.2-73.9175.7-3.500112.4A510 A511 Q512 L517 A518 L533A510-Q514 WeakPolarHBondContact O-CG 3.35Å; A510-Q514 PolarHBondContact O-N 3.45Å; A511-Q514 PolarHBondContact O-N 3.1Å; Q512-Q514 VanDerWaalsContact C-N 3.33Å; Q512-Q514 PolarHBondContact O-N 3.46Å; Q514-L517 PolarHBondContact O-N 2.9Å; Q514-A518 PolarHBondContact O-N 3.39Å; Q514-L533 HydrophobicContact CG-CD1 4.31Å; Q514-L533 HydrophobicContact CG-CD2 3.97Å
515Q94.5Very high94.3Very high53 Ų5356.4 Ų56.425%0.24831%0.308CS..Hα-helixtrans-61.8-51.4173.9-179.5179.1-1900110.8A481 A482 A511 Q512 L517 A518 D519A481-Q515 PolarHBondContact O-NE2 3.28Å; A482-Q515 VanDerWaalsContact N-NE2 3.19Å; A511-Q515 PolarHBondContact O-N 3.26Å; Q512-Q515 PolarHBondContact O-N 2.91Å; Q515-L517 PolarHBondContact O-N 2.73Å; Q515-A518 WeakPolarHBondContact O-CA 3.44Å; Q515-A518 WeakPolarHBondContact O-CB 3.12Å; Q515-A518 PolarHBondContact O-N 3.35Å; Q515-D519 PolarHBondContact O-N 3.29Å
516G95Very high94.2Very high1 Ų155.6 Ų55.61%0.0130%0.304CS..Hα-helixtrans-59.4-32.3178.800000113.2A490 Q512 L513 A518 D519 T520A490-G516 WeakPolarHBondContact CB-O 3.47Å; Q512-G516 PolarHBondContact O-N 3.5Å; L513-G516 PolarHBondContact O-N 2.98Å; G516-A518 VanDerWaalsContact C-N 3.32Å; G516-A518 PolarHBondContact O-N 3.21Å; G516-D519 PolarHBondContact O-N 3.32Å; G516-T520 WeakPolarHBondContact O-CG2 3.48Å; G516-T520 PolarHBondContact O-N 3.12Å
517L94.7Very high94.2Very high49 Ų4954.9 Ų54.926%0.25730%0.301SS..Hα-helixtrans-65.7-34174.2-169.369.7000112.6L513 Q514 Q515 K526 I529 N530L513-L517 WeakPolarHBondContact O-CB 3.34Å; L513-L517 PolarHBondContact O-N 3.08Å; Q514-L517 PolarHBondContact O-N 2.9Å; Q515-L517 PolarHBondContact O-N 2.73Å; L517-K526 HydrophobicContact CD1-CB 3.9Å; L517-K526 HydrophobicContact CD1-CG 3.89Å; L517-I529 HydrophobicContact CB-CG2 3.97Å; L517-I529 HydrophobicContact CD1-CB 4.43Å; L517-I529 HydrophobicContact CD1-CG2 4.19Å; L517-N530 WeakPolarHBondContact CD2-OD1 3.48Å
518A93.4Very high94.1Very high84 Ų8449.8 Ų49.869%0.69428%0.28SS*.Hα-helixtrans-74.9-26.2177.900000112.9Q514 Q515 G516Q514-A518 PolarHBondContact O-N 3.39Å; Q515-A518 WeakPolarHBondContact O-CA 3.44Å; Q515-A518 WeakPolarHBondContact O-CB 3.12Å; Q515-A518 PolarHBondContact O-N 3.35Å; G516-A518 VanDerWaalsContact C-N 3.32Å; G516-A518 PolarHBondContact O-N 3.21Å
519D91.5Very high94.1Very high26 Ų2645 Ų4514%0.13926%0.259CS..Hα-helixtrans-92.1-12.9-172.4-66.4-32.3000114.3N486 A490 Q515 G516N486-D519 CarbonylContact C-O 3.57Å; N486-D519 WeakPolarHBondContact CA-O 3.38Å; A490-D519 HydrophobicContact CB-CB 4.38Å; Q515-D519 PolarHBondContact O-N 3.29Å; G516-D519 PolarHBondContact O-N 3.32Å
520T91.1Very high94.2Very high9 Ų945.6 Ų45.66%0.05526%0.262CS..  trans-107.9139.9-179.9-174.30000113.6A490 G516 D522 L525 K526 I529A490-T520 HydrophobicContact CB-CG2 4.3Å; G516-T520 WeakPolarHBondContact O-CG2 3.48Å; G516-T520 PolarHBondContact O-N 3.12Å; T520-D522 PolarHBondContact OG1-N 3.3Å; T520-L525 HydrophobicContact CG2-CB 4.49Å; T520-L525 HydrophobicContact CG2-CD2 4.33Å; T520-L525 HydrophobicContact CG2-CG 4.33Å; T520-K526 HydrophobicContact CG2-CG 3.76Å; T520-K526 WeakPolarHBondContact O-CE 3.33Å; T520-I529 HydrophobicContact CG2-CD1 3.97Å
521S87.5Confident94.2Very high102 Ų10246.1 Ų46.171%0.71326%0.263SS*.  trans-98.1-8.2167.157.30000113.4E523S521-E523 PolarHBondContact O-N 2.86Å
522D89.9Confident94.2Very high76 Ų7648.6 Ų48.641%0.40626%0.261SS..  trans-75118.4-178.6-176-71000111.2T520 N524 L525 K526T520-D522 PolarHBondContact OG1-N 3.3Å; D522-N524 PolarHBondContact O-N 3.38Å; D522-N524 WeakPolarHBondContact OD1-CA 3.25Å; D522-N524 WeakPolarHBondContact OD1-CB 3.43Å; D522-N524 PolarHBondContact OD1-N 2.82Å; D522-L525 HydrophobicContact CB-CB 3.94Å; D522-L525 PolarHBondContact O-N 3.25Å; D522-L525 PolarHBondContact OD1-N 3.49Å; D522-K526 WeakPolarHBondContact O-CG 3.29Å; D522-K526 PolarHBondContact O-N 2.87Å
523E91Very high94.3Very high131 Ų13148.3 Ų48.361%0.61226%0.26SS*.Hα-helixtrans-66.4-32.4-174.8-66.7-61.1130.100113.5S521 K526 A527S521-E523 PolarHBondContact O-N 2.86Å; E523-K526 IonicContact OE1-NZ 3.73Å; E523-K526 PolarHBondContact OE1-NZ 3.26Å; E523-A527 PolarHBondContact O-N 2.91Å; E523-A527 VanDerWaalsContact O-N 3.08Å
524N91.6Very high94.3Very high104 Ų10448.1 Ų48.156%0.55626%0.259SS*.Hα-helixtrans-72.5-40.5176.6-70.4-41.1000110.8D522 A527 V528D522-N524 PolarHBondContact O-N 3.38Å; D522-N524 WeakPolarHBondContact OD1-CA 3.25Å; D522-N524 WeakPolarHBondContact OD1-CB 3.43Å; D522-N524 PolarHBondContact OD1-N 2.82Å; N524-A527 WeakPolarHBondContact O-CB 3.36Å; N524-A527 PolarHBondContact O-N 3.28Å; N524-V528 WeakPolarHBondContact O-CG2 3.38Å; N524-V528 PolarHBondContact O-N 3.01Å
525L92.8Very high94.3Very high23 Ų2349.1 Ų49.112%0.1226%0.259CS..Hα-helixtrans-65.1-40.9176-170.756.8000111.1T487 A490 L491 L494 T520 D522 A527 V528 I529T487-L525 HydrophobicContact CG2-CD2 3.94Å; A490-L525 HydrophobicContact CB-CD2 4.12Å; L491-L525 HydrophobicContact CD2-CD1 4.1Å; L491-L525 HydrophobicContact CD2-CD2 4.38Å; L491-L525 HydrophobicContact CG-CD2 4.49Å; L494-L525 HydrophobicContact CD1-CD1 3.56Å; T520-L525 HydrophobicContact CG2-CB 4.49Å; T520-L525 HydrophobicContact CG2-CD2 4.33Å; T520-L525 HydrophobicContact CG2-CG 4.33Å; D522-L525 HydrophobicContact CB-CB 3.94Å; D522-L525 PolarHBondContact O-N 3.25Å; D522-L525 PolarHBondContact OD1-N 3.49Å; L525-A527 VanDerWaalsContact C-N 3.31Å; L525-A527 PolarHBondContact O-N 3.18Å; L525-V528 PolarHBondContact O-N 3.01Å; L525-I529 HydrophobicContact CD1-CD1 4.46Å; L525-I529 HydrophobicContact CG-CD1 3.97Å; L525-I529 VanDerWaalsContact O-CG1 3.29Å; L525-I529 WeakPolarHBondContact O-CG1 3.46Å; L525-I529 PolarHBondContact O-N 3.37Å
526K95.2Very high94.5Very high52 Ų5246.9 Ų46.923%0.22625%0.248CC..Hα-helixtrans-57.2-43.5171.6-71.5178.4-170.9165.20111.8L517 T520 D522 E523 I529 N530L517-K526 HydrophobicContact CD1-CB 3.9Å; L517-K526 HydrophobicContact CD1-CG 3.89Å; T520-K526 HydrophobicContact CG2-CG 3.76Å; T520-K526 WeakPolarHBondContact O-CE 3.33Å; D522-K526 WeakPolarHBondContact O-CG 3.29Å; D522-K526 PolarHBondContact O-N 2.87Å; E523-K526 IonicContact OE1-NZ 3.73Å; E523-K526 PolarHBondContact OE1-NZ 3.26Å; K526-I529 PolarHBondContact O-N 3.48Å; K526-N530 VanDerWaalsContact O-CB 3.31Å; K526-N530 WeakPolarHBondContact O-CB 3.32Å; K526-N530 PolarHBondContact O-N 2.89Å; K526-N530 PolarHBondContact O-ND2 3.1Å
527A95.2Very high94.6Very high5 Ų547.4 Ų47.44%0.04125%0.25CS..Hα-helixtrans-60.9-45.5177.100000111.9E523 N524 L525 N530 L531 I553 W558E523-A527 PolarHBondContact O-N 2.91Å; E523-A527 VanDerWaalsContact O-N 3.08Å; N524-A527 WeakPolarHBondContact O-CB 3.36Å; N524-A527 PolarHBondContact O-N 3.28Å; L525-A527 VanDerWaalsContact C-N 3.31Å; L525-A527 PolarHBondContact O-N 3.18Å; A527-N530 PolarHBondContact O-N 3.21Å; A527-L531 WeakPolarHBondContact O-CG 3.47Å; A527-L531 PolarHBondContact O-N 3.4Å; A527-I553 HydrophobicContact CB-CG2 3.96Å; A527-W558 HydrophobicContact CB-CD2 4.02Å; A527-W558 HydrophobicContact CB-CG 4.34Å; A527-W558 HydrophobicContact CB-CH2 4.5Å; A527-W558 HydrophobicContact CB-CZ2 3.79Å
528V95.3Very high94.7Very high42 Ų4246.1 Ų46.126%0.25525%0.245SC..Hα-helixtrans-62.1-45.4176.4174.20000111.8N524 L525 L531 R532 W558N524-V528 WeakPolarHBondContact O-CG2 3.38Å; N524-V528 PolarHBondContact O-N 3.01Å; L525-V528 PolarHBondContact O-N 3.01Å; V528-L531 PolarHBondContact O-N 3.2Å; V528-R532 WeakPolarHBondContact O-CG 3.23Å; V528-R532 PolarHBondContact O-N 3.4Å; V528-R532 VanDerWaalsContact O-N 3.07Å; V528-W558 HydrophobicContact CG2-CH2 3.59Å; V528-W558 HydrophobicContact CG2-CZ2 4.39Å; V528-W558 HydrophobicContact CG2-CZ3 4.17Å
529I97Very high94.8Very high1 Ų147 Ų471%0.00524%0.235CC..Hα-helixtrans-61.2-47.3177.8-69.3166.2000110.4A490 L494 L513 L517 T520 L525 K526 L531 R532 L533A490-I529 HydrophobicContact CB-CD1 4.48Å; L494-I529 HydrophobicContact CD1-CD1 4.36Å; L494-I529 HydrophobicContact CD1-CG1 3.86Å; L494-I529 HydrophobicContact CD2-CG1 3.75Å; L494-I529 HydrophobicContact CG-CD1 4.49Å; L494-I529 HydrophobicContact CG-CG1 3.85Å; L513-I529 HydrophobicContact CB-CG2 4.23Å; L513-I529 HydrophobicContact CD2-CG2 4.16Å; L513-I529 WeakPolarHBondContact O-CG2 3.37Å; L517-I529 HydrophobicContact CB-CG2 3.97Å; L517-I529 HydrophobicContact CD1-CB 4.43Å; L517-I529 HydrophobicContact CD1-CG2 4.19Å; T520-I529 HydrophobicContact CG2-CD1 3.97Å; L525-I529 HydrophobicContact CD1-CD1 4.46Å; L525-I529 HydrophobicContact CG-CD1 3.97Å; L525-I529 VanDerWaalsContact O-CG1 3.29Å; L525-I529 WeakPolarHBondContact O-CG1 3.46Å; L525-I529 PolarHBondContact O-N 3.37Å; K526-I529 PolarHBondContact O-N 3.48Å; I529-L531 PolarHBondContact O-N 3.49Å; I529-R532 PolarHBondContact O-N 3.06Å; I529-L533 WeakPolarHBondContact O-CB 3.5Å; I529-L533 PolarHBondContact O-N 2.89Å
530N97.8Very high95Very high13 Ų1347.8 Ų47.87%0.0724%0.238CC..Hα-helixtrans-64.3-37.9179-78.6-36.2000112.6L517 K526 A527 L533 A534 T549 T552 I553L517-N530 WeakPolarHBondContact CD2-OD1 3.48Å; K526-N530 VanDerWaalsContact O-CB 3.31Å; K526-N530 WeakPolarHBondContact O-CB 3.32Å; K526-N530 PolarHBondContact O-N 2.89Å; K526-N530 PolarHBondContact O-ND2 3.1Å; A527-N530 PolarHBondContact O-N 3.21Å; N530-L533 PolarHBondContact O-N 3.15Å; N530-A534 WeakPolarHBondContact O-CB 3.41Å; N530-A534 PolarHBondContact O-N 3.14Å; N530-T549 HydrophobicContact CB-CG2 3.85Å; N530-T549 VanDerWaalsContact O-CG2 3.29Å; N530-T549 WeakPolarHBondContact O-CG2 3.48Å; N530-T552 PolarHBondContact ND2-OG1 2.86Å; N530-T552 VanDerWaalsContact ND2-OG1 3.1Å; N530-I553 HydrophobicContact CB-CD1 3.6Å; N530-I553 HydrophobicContact CB-CG1 3.66Å
531L97.2Very high95.2Very high19 Ų1956.4 Ų56.410%0.09928%0.275CS..Hα-helixtrans-60.9-46.1173.2-78.8175.1000111.6A527 V528 I529 R535 L550 I553 W558 I561 V562 L565A527-L531 WeakPolarHBondContact O-CG 3.47Å; A527-L531 PolarHBondContact O-N 3.4Å; V528-L531 PolarHBondContact O-N 3.2Å; I529-L531 PolarHBondContact O-N 3.49Å; L531-R535 PolarHBondContact O-N 2.92Å; L531-R535 VanDerWaalsContact O-N 3.12Å; L531-L550 HydrophobicContact CD2-CD2 4.17Å; L531-I553 HydrophobicContact CB-CD1 4.45Å; L531-I553 HydrophobicContact CD2-CD1 3.72Å; L531-I553 HydrophobicContact CG-CD1 3.73Å; L531-W558 HydrophobicContact CD1-CD2 4.48Å; L531-W558 HydrophobicContact CD1-CE3 3.56Å; L531-W558 HydrophobicContact CD1-CZ3 3.84Å; L531-I561 HydrophobicContact CD1-CB 4.47Å; L531-I561 HydrophobicContact CD1-CG2 3.97Å; L531-I561 HydrophobicContact CD2-CB 4.46Å; L531-I561 HydrophobicContact CD2-CG2 3.84Å; L531-V562 HydrophobicContact CD2-CG2 3.97Å; L531-L565 WeakPolarHBondContact O-CD2 3.25Å
532R97.4Very high95.6Very high105 Ų10555.7 Ų55.740%0.39626%0.261SS..Hα-helixtrans-65.6-41.5177.2-70-178.6-176.4-159.41.3111.3L513 V528 I529 R535 V536L513-R532 HydrophobicContact CD1-CB 4.09Å; L513-R532 HydrophobicContact CD2-CB 3.88Å; V528-R532 WeakPolarHBondContact O-CG 3.23Å; V528-R532 PolarHBondContact O-N 3.4Å; V528-R532 VanDerWaalsContact O-N 3.07Å; I529-R532 PolarHBondContact O-N 3.06Å; R532-R535 PolarHBondContact O-N 3.23Å; R532-V536 WeakPolarHBondContact O-CG2 3.16Å; R532-V536 PolarHBondContact O-N 3.45Å
533L98Very high95.8Very high6 Ų652.5 Ų52.53%0.03124%0.244CC..Hα-helixtrans-62.8-46.2178.3177.859000111.1A510 L513 Q514 I529 N530 R535 V536 Q537 T549A510-L533 HydrophobicContact CB-CD1 3.99Å; L513-L533 HydrophobicContact CB-CB 4.09Å; L513-L533 HydrophobicContact CB-CD1 4.12Å; L513-L533 HydrophobicContact CD1-CB 4.17Å; L513-L533 HydrophobicContact CD1-CD1 4.47Å; Q514-L533 HydrophobicContact CG-CD1 4.31Å; Q514-L533 HydrophobicContact CG-CD2 3.97Å; I529-L533 WeakPolarHBondContact O-CB 3.5Å; I529-L533 PolarHBondContact O-N 2.89Å; N530-L533 PolarHBondContact O-N 3.15Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.13Å; L533-V536 PolarHBondContact O-N 3.41Å; L533-Q537 HydrophobicContact CD1-CG 4.24Å; L533-Q537 HydrophobicContact CG-CG 4.46Å; L533-Q537 WeakPolarHBondContact O-CB 3.45Å; L533-Q537 VanDerWaalsContact O-CG 3.25Å; L533-Q537 WeakPolarHBondContact O-CG 3.23Å; L533-Q537 PolarHBondContact O-N 3.1Å; L533-T549 HydrophobicContact CB-CG2 4.22Å; L533-T549 HydrophobicContact CD2-CG2 4.06Å; L533-T549 HydrophobicContact CG-CG2 4.18Å
534A97.8Very high96.1Very high0 Ų051.7 Ų51.70%024%0.244CC..Hα-helixtrans-59.2-39.2175.800000111.6N530 Q537 V538 A546 T549 L550 L565N530-A534 WeakPolarHBondContact O-CB 3.41Å; N530-A534 PolarHBondContact O-N 3.14Å; A534-Q537 WeakPolarHBondContact O-CB 3.18Å; A534-Q537 PolarHBondContact O-N 2.85Å; A534-V538 WeakPolarHBondContact O-CG2 3.21Å; A534-V538 PolarHBondContact O-N 3.17Å; A534-A546 HydrophobicContact CB-CB 4.38Å; A534-T549 HydrophobicContact CB-CG2 4.15Å; A534-L550 HydrophobicContact CB-CD1 4.48Å; A534-L550 HydrophobicContact CB-CD2 3.83Å; A534-L550 HydrophobicContact CB-CG 3.8Å; A534-L565 HydrophobicContact CB-CD2 3.68Å; A534-L565 HydrophobicContact CB-CG 4.41Å
535R97.4Very high96.3Very high131 Ų13148.4 Ų48.449%0.49423%0.232SC..Hα-helixtrans-65.8-43.9177.6-173.2175.6-70.9179.6-2.6112.2L531 R532 L533 Q537 V538 Q539 L565L531-R535 PolarHBondContact O-N 2.92Å; L531-R535 VanDerWaalsContact O-N 3.12Å; R532-R535 PolarHBondContact O-N 3.23Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.13Å; R535-Q537 VanDerWaalsContact C-N 3.32Å; R535-Q537 PolarHBondContact O-N 2.93Å; R535-V538 PolarHBondContact O-N 3.34Å; R535-Q539 PolarHBondContact O-N 3.42Å; R535-L565 HydrophobicContact CB-CD1 4.22Å; R535-L565 HydrophobicContact CB-CD2 4.05Å; R535-L565 HydrophobicContact CG-CD1 4.46Å
536V97.6Very high96.5Very high6 Ų647.3 Ų47.34%0.03623%0.226CC..Hα-helixtrans-62.2-41.3173.8174.10000110.8V501 L506 A509 A510 L513 R532 L533 V538 Q539 L540V501-V536 HydrophobicContact CG2-CG2 3.79Å; L506-V536 HydrophobicContact CB-CG1 4.18Å; L506-V536 HydrophobicContact CD2-CG1 4.5Å; L506-V536 VanDerWaalsContact O-CG1 3.26Å; L506-V536 WeakPolarHBondContact O-CG1 3.48Å; A509-V536 HydrophobicContact CB-CG1 4.29Å; A509-V536 HydrophobicContact CB-CG2 4.32Å; A510-V536 HydrophobicContact CB-CG1 4.02Å; L513-V536 HydrophobicContact CD1-CG2 4.02Å; R532-V536 WeakPolarHBondContact O-CG2 3.16Å; R532-V536 PolarHBondContact O-N 3.45Å; L533-V536 PolarHBondContact O-N 3.41Å; V536-V538 PolarHBondContact O-N 3.49Å; V536-Q539 PolarHBondContact O-N 3.49Å; V536-L540 HydrophobicContact CG1-CD1 4.02Å; V536-L540 HydrophobicContact CG1-CG 4.47Å; V536-L540 WeakPolarHBondContact O-CG 3.37Å; V536-L540 PolarHBondContact O-N 3.16Å
537Q98Very high96.6Very high11 Ų1146 Ų465%0.05122%0.221CC..Hα-helixtrans-62.8-39.2176.9-74.6169.5-28.800112.6L533 A534 R535 Q539 L540 K541 Q542 A545 A546 T549L533-Q537 HydrophobicContact CD1-CG 4.24Å; L533-Q537 HydrophobicContact CG-CG 4.46Å; L533-Q537 WeakPolarHBondContact O-CB 3.45Å; L533-Q537 VanDerWaalsContact O-CG 3.25Å; L533-Q537 WeakPolarHBondContact O-CG 3.23Å; L533-Q537 PolarHBondContact O-N 3.1Å; A534-Q537 WeakPolarHBondContact O-CB 3.18Å; A534-Q537 PolarHBondContact O-N 2.85Å; R535-Q537 VanDerWaalsContact C-N 3.32Å; R535-Q537 PolarHBondContact O-N 2.93Å; Q537-Q539 VanDerWaalsContact C-N 3.35Å; Q537-L540 CarbonylContact O-C 3.6Å; Q537-L540 PolarHBondContact O-N 3.38Å; Q537-K541 PolarHBondContact O-N 2.88Å; Q537-Q542 HydrophobicContact CB-CB 4.31Å; Q537-Q542 WeakPolarHBondContact O-CA 3.12Å; Q537-Q542 WeakPolarHBondContact O-CB 3.33Å; Q537-Q542 PolarHBondContact O-N 3.3Å; Q537-A545 HydrophobicContact CG-CB 4.42Å; Q537-A545 PolarHBondContact OE1-O 2.96Å; Q537-A546 HydrophobicContact CB-CB 3.86Å; Q537-A546 VanDerWaalsContact OE1-CA 3.25Å; Q537-T549 PolarHBondContact NE2-OG1 3.12Å; Q537-T549 PolarHBondContact OE1-OG1 3.01Å
538V96Very high96.7Very high23 Ų2353.2 Ų53.214%0.13925%0.252CS..Hα-helixtrans-61.1-43.9173.2171.80000110.9A534 R535 V536 L540 K541 A546 L565 A569A534-V538 WeakPolarHBondContact O-CG2 3.21Å; A534-V538 PolarHBondContact O-N 3.17Å; R535-V538 PolarHBondContact O-N 3.34Å; V536-V538 PolarHBondContact O-N 3.49Å; V538-L540 VanDerWaalsContact C-N 3.32Å; V538-L540 PolarHBondContact O-N 2.86Å; V538-K541 PolarHBondContact O-N 2.94Å; V538-A546 HydrophobicContact CG2-CB 3.71Å; V538-L565 HydrophobicContact CG2-CD1 4.19Å; V538-A569 HydrophobicContact CG2-CB 3.78Å
539Q95.3Very high96.8Very high102 Ų10251.9 Ų51.948%0.47724%0.244SC..Hα-helixtrans-65.6-34.5176.9-66.7179.40.100112.7L506 R535 V536 Q537 K541L506-Q539 HydrophobicContact CD1-CB 3.67Å; L506-Q539 VanDerWaalsContact CD2-OE1 3.25Å; R535-Q539 PolarHBondContact O-N 3.42Å; V536-Q539 PolarHBondContact O-N 3.49Å; Q537-Q539 VanDerWaalsContact C-N 3.35Å; Q539-K541 PolarHBondContact O-N 2.96Å
540L96Very high96.8Very high42 Ų4251.9 Ų51.922%0.2224%0.244CC..THydrogen-bonded Turntrans-722.6171.4-73.7171.4000113.8L506 E507 A510 V536 Q537 V538 Q542L506-L540 HydrophobicContact CB-CD1 4.29Å; L506-L540 HydrophobicContact CB-CD2 3.54Å; L506-L540 HydrophobicContact CB-CG 3.79Å; L506-L540 HydrophobicContact CD1-CD2 4.19Å; L506-L540 HydrophobicContact CD1-CG 4.31Å; E507-L540 HydrophobicContact CG-CD2 4.01Å; A510-L540 HydrophobicContact CB-CD1 4.29Å; V536-L540 HydrophobicContact CG1-CD1 4.02Å; V536-L540 HydrophobicContact CG1-CG 4.47Å; V536-L540 WeakPolarHBondContact O-CG 3.37Å; V536-L540 PolarHBondContact O-N 3.16Å; Q537-L540 CarbonylContact O-C 3.6Å; Q537-L540 PolarHBondContact O-N 3.38Å; V538-L540 VanDerWaalsContact C-N 3.32Å; V538-L540 PolarHBondContact O-N 2.86Å; L540-Q542 HydrophobicContact CB-CG 3.99Å; L540-Q542 PolarHBondContact O-N 2.81Å
541K94.6Very high96.8Very high191 Ų19156 Ų5683%0.8327%0.266SS*.THydrogen-bonded Turntrans59.526.4-173.9-54.1-179.8178.9177.80113.6Q537 V538 Q539 A543Q537-K541 PolarHBondContact O-N 2.88Å; V538-K541 PolarHBondContact O-N 2.94Å; Q539-K541 PolarHBondContact O-N 2.96Å; K541-A543 PolarHBondContact O-N 3.35Å
542Q95.8Very high96.7Very high87 Ų8758.9 Ų58.941%0.40728%0.284SS..  trans-9858.9177.9-62.4179-11.400110.6Q537 L540 D544 A545 A546Q537-Q542 HydrophobicContact CB-CB 4.31Å; Q537-Q542 WeakPolarHBondContact O-CA 3.12Å; Q537-Q542 WeakPolarHBondContact O-CB 3.33Å; Q537-Q542 PolarHBondContact O-N 3.3Å; L540-Q542 HydrophobicContact CB-CG 3.99Å; L540-Q542 PolarHBondContact O-N 2.81Å; Q542-D544 VanDerWaalsContact C-N 3.35Å; Q542-D544 PolarHBondContact O-N 3.23Å; Q542-A545 HydrophobicContact CB-CB 4.01Å; Q542-A545 WeakPolarHBondContact O-CB 3.46Å; Q542-A545 PolarHBondContact O-N 2.88Å; Q542-A545 VanDerWaalsContact O-N 3.13Å; Q542-A546 PolarHBondContact O-N 2.89Å
543A95Very high96.6Very high8 Ų854.8 Ų54.87%0.06627%0.27CS..Hα-helixtrans-55.9-43.4-173.400000113.6K541 A545 A546 L547 A569 S572 K573K541-A543 PolarHBondContact O-N 3.35Å; A543-A545 VanDerWaalsContact C-N 3.33Å; A543-A545 PolarHBondContact O-N 2.64Å; A543-A546 WeakPolarHBondContact O-CB 3.43Å; A543-A546 PolarHBondContact O-N 2.9Å; A543-L547 WeakPolarHBondContact O-CG 3.47Å; A543-L547 PolarHBondContact O-N 3.43Å; A543-A569 WeakPolarHBondContact CB-O 3.49Å; A543-S572 WeakPolarHBondContact CB-OG 3.47Å; A543-K573 HydrophobicContact CB-CB 3.92Å; A543-K573 HydrophobicContact CB-CD 4.26Å; A543-K573 HydrophobicContact CB-CG 4.34Å
544D96.8Very high96.1Very high114 Ų11463 Ų6361%0.6131%0.305SS*.Hα-helixtrans-69-32.7-179.5-64-39.9000112.5Q542 K548 K573Q542-D544 VanDerWaalsContact C-N 3.35Å; Q542-D544 PolarHBondContact O-N 3.23Å; D544-K548 PolarHBondContact O-N 3.42Å; D544-K548 VanDerWaalsContact O-N 3.1Å; D544-K573 IonicContact OD1-NZ 3.13Å; D544-K573 PolarHBondContact OD1-NZ 2.9Å
545A96.7Very high95.6Very high35 Ų3565.5 Ų65.529%0.28933%0.331SS..Hα-helixtrans-67.4-43.3172.800000110.9Q537 Q542 A543 L547 K548 T549Q537-A545 HydrophobicContact CG-CB 4.42Å; Q537-A545 PolarHBondContact OE1-O 2.96Å; Q542-A545 HydrophobicContact CB-CB 4.01Å; Q542-A545 WeakPolarHBondContact O-CB 3.46Å; Q542-A545 PolarHBondContact O-N 2.88Å; Q542-A545 VanDerWaalsContact O-N 3.13Å; A543-A545 VanDerWaalsContact C-N 3.33Å; A543-A545 PolarHBondContact O-N 2.64Å; A545-L547 PolarHBondContact O-N 3.47Å; A545-K548 PolarHBondContact O-N 3.13Å; A545-T549 PolarHBondContact O-N 3.36Å; A545-T549 PolarHBondContact O-OG1 3.42Å
546A97.2Very high94.9Very high0 Ų068 Ų680%035%0.349CS..Hα-helixtrans-58.4-45.3175.400000112A534 Q537 V538 Q542 A543 K548 T549 L550 A569A534-A546 HydrophobicContact CB-CB 4.38Å; Q537-A546 HydrophobicContact CB-CB 3.86Å; Q537-A546 VanDerWaalsContact OE1-CA 3.25Å; V538-A546 HydrophobicContact CG2-CB 3.71Å; Q542-A546 PolarHBondContact O-N 2.89Å; A543-A546 WeakPolarHBondContact O-CB 3.43Å; A543-A546 PolarHBondContact O-N 2.9Å; A546-K548 PolarHBondContact O-N 3.13Å; A546-T549 PolarHBondContact O-N 2.88Å; A546-L550 WeakPolarHBondContact O-CB 3.25Å; A546-L550 VanDerWaalsContact O-CG 3.24Å; A546-L550 WeakPolarHBondContact O-CG 3.43Å; A546-L550 PolarHBondContact O-N 2.9Å; A546-A569 HydrophobicContact CB-CB 4.19Å
547L97.4Very high94.4Very high24 Ų2471.1 Ų71.113%0.12638%0.382CS..Hα-helixtrans-61.1-45.7177.1-67.8170.4000112A543 A545 T549 L550 D551 R566 A569 L570A543-L547 WeakPolarHBondContact O-CG 3.47Å; A543-L547 PolarHBondContact O-N 3.43Å; A545-L547 PolarHBondContact O-N 3.47Å; L547-T549 VanDerWaalsContact C-N 3.33Å; L547-T549 PolarHBondContact O-N 3.31Å; L547-L550 WeakPolarHBondContact O-CB 3.49Å; L547-L550 PolarHBondContact O-N 2.89Å; L547-D551 PolarHBondContact O-N 2.93Å; L547-R566 HydrophobicContact CD2-CB 4.49Å; L547-R566 HydrophobicContact CD2-CG 3.74Å; L547-A569 HydrophobicContact CD2-CB 3.96Å; L547-A569 HydrophobicContact CG-CB 4.14Å; L547-L570 HydrophobicContact CD1-CD2 3.8Å; L547-L570 HydrophobicContact CD2-CD2 4.16Å; L547-L570 HydrophobicContact CD2-CG 4.12Å
548K97.3Very high94.2Very high157 Ų15773.3 Ų73.368%0.68339%0.39SS*.Hα-helixtrans-62.1-40.1176.8-173.3179.8179-177.20112D544 A545 A546 D551D544-K548 PolarHBondContact O-N 3.42Å; D544-K548 VanDerWaalsContact O-N 3.1Å; A545-K548 PolarHBondContact O-N 3.13Å; A546-K548 PolarHBondContact O-N 3.13Å; K548-D551 PolarHBondContact O-N 2.71Å
549T97.3Very high94Very high15 Ų1574.2 Ų74.29%0.09240%0.4CS..Hα-helixtrans-62.5-45.1174.4-57.60000110.6N530 L533 A534 Q537 A545 A546 L547 D551 T552N530-T549 HydrophobicContact CB-CG2 3.85Å; N530-T549 VanDerWaalsContact O-CG2 3.29Å; N530-T549 WeakPolarHBondContact O-CG2 3.48Å; L533-T549 HydrophobicContact CB-CG2 4.22Å; L533-T549 HydrophobicContact CD2-CG2 4.06Å; L533-T549 HydrophobicContact CG-CG2 4.18Å; A534-T549 HydrophobicContact CB-CG2 4.15Å; Q537-T549 PolarHBondContact NE2-OG1 3.12Å; Q537-T549 PolarHBondContact OE1-OG1 3.01Å; A545-T549 PolarHBondContact O-N 3.36Å; A545-T549 PolarHBondContact O-OG1 3.42Å; A546-T549 PolarHBondContact O-N 2.88Å; L547-T549 VanDerWaalsContact C-N 3.33Å; L547-T549 PolarHBondContact O-N 3.31Å; T549-D551 VanDerWaalsContact C-N 3.31Å; T549-D551 PolarHBondContact O-N 2.82Å; T549-T552 WeakPolarHBondContact O-CB 3.5Å; T549-T552 PolarHBondContact O-N 3.39Å; T549-T552 VanDerWaalsContact O-N 3.11Å; T549-T552 PolarHBondContact O-OG1 3.5Å
550L97.2Very high93.9Very high1 Ų169.7 Ų69.71%0.00538%0.38CS..Hα-helixtrans-62.7-33.5178.5-71.2171000113.2L531 A534 A546 L547 T552 I553 V562 L565 R566L531-L550 HydrophobicContact CD2-CD2 4.17Å; A534-L550 HydrophobicContact CB-CD1 4.48Å; A534-L550 HydrophobicContact CB-CD2 3.83Å; A534-L550 HydrophobicContact CB-CG 3.8Å; A546-L550 WeakPolarHBondContact O-CB 3.25Å; A546-L550 VanDerWaalsContact O-CG 3.24Å; A546-L550 WeakPolarHBondContact O-CG 3.43Å; A546-L550 PolarHBondContact O-N 2.9Å; L547-L550 WeakPolarHBondContact O-CB 3.49Å; L547-L550 PolarHBondContact O-N 2.89Å; L550-T552 PolarHBondContact O-N 3.2Å; L550-I553 HydrophobicContact CD2-CD1 4.1Å; L550-I553 PolarHBondContact O-N 2.6Å; L550-V562 HydrophobicContact CB-CG1 4.3Å; L550-V562 HydrophobicContact CD2-CG1 4.26Å; L550-V562 HydrophobicContact CD2-CG2 4.35Å; L550-L565 HydrophobicContact CD1-CB 4.35Å; L550-L565 HydrophobicContact CD1-CG 4.28Å; L550-L565 HydrophobicContact CD2-CB 4.34Å; L550-L565 HydrophobicContact CD2-CD2 4.08Å; L550-L565 HydrophobicContact CD2-CG 4.34Å; L550-R566 HydrophobicContact CD1-CB 3.94Å
551D96.2Very high93.8Very high100 Ų10070.4 Ų70.454%0.53538%0.383SS..Hα-helixtrans-64.8-19.9176.1-70.3-31.3000113.3L547 K548 T549 I553 R566L547-D551 PolarHBondContact O-N 2.93Å; K548-D551 PolarHBondContact O-N 2.71Å; T549-D551 VanDerWaalsContact C-N 3.31Å; T549-D551 PolarHBondContact O-N 2.82Å; D551-I553 VanDerWaalsContact C-N 3.3Å; D551-R566 IonicContact OD1-CZ 2.69Å; D551-R566 IonicContact OD1-NH1 2.74Å; D551-R566 IonicContact OD1-NH2 2.69Å; D551-R566 PolarHBondContact OD1-NH2 3.29Å
552T95.1Very high93.9Very high78 Ų7862.1 Ų62.148%0.47935%0.349SS..THydrogen-bonded Turntrans-79-15.217771.30000113.2N530 T549 L550N530-T552 PolarHBondContact ND2-OG1 2.86Å; N530-T552 VanDerWaalsContact ND2-OG1 3.1Å; T549-T552 WeakPolarHBondContact O-CB 3.5Å; T549-T552 PolarHBondContact O-N 3.39Å; T549-T552 VanDerWaalsContact O-N 3.11Å; T549-T552 PolarHBondContact O-OG1 3.5Å; L550-T552 PolarHBondContact O-N 3.2Å
553I95Very high93.9Very high19 Ų1958.5 Ų58.510%0.09733%0.334CS..  trans-86120.5-174.4-52-177.8000109.1A527 N530 L531 L550 D551 W558 V562A527-I553 HydrophobicContact CB-CG2 3.96Å; N530-I553 HydrophobicContact CB-CD1 3.6Å; N530-I553 HydrophobicContact CB-CG1 3.66Å; L531-I553 HydrophobicContact CB-CD1 4.45Å; L531-I553 HydrophobicContact CD2-CD1 3.72Å; L531-I553 HydrophobicContact CG-CD1 3.73Å; L550-I553 HydrophobicContact CD2-CD1 4.1Å; L550-I553 PolarHBondContact O-N 2.6Å; D551-I553 VanDerWaalsContact C-N 3.3Å; I553-W558 HydrophobicContact CG2-CB 3.82Å; I553-W558 HydrophobicContact CG2-CG 3.96Å; I553-V562 HydrophobicContact CB-CG2 4.03Å; I553-V562 HydrophobicContact CD1-CG2 4.2Å; I553-V562 HydrophobicContact CG2-CG2 3.84Å
554K88.5Confident93.9Very high178 Ų17858.5 Ų58.577%0.77433%0.332SS*.  trans-118.2149.9-177-61.8-175.4-178.5179.70111.2
555G86.5Confident93.9Very high53 Ų5353.1 Ų53.155%0.54630%0.304SS..SBendtrans113.6139.4175.800000112.7G557 W558G555-G557 VanDerWaalsContact C-N 3.28Å; G555-G557 PolarHBondContact O-N 3.13Å; G555-W558 PolarHBondContact O-N 3.08Å
556E84Confident93.9Very high184 Ų18455.1 Ų55.186%0.8630%0.304SS*.G310 helixtrans-61.6-34.9-175-66.6-17816700112.6W558 A559E556-W558 PolarHBondContact O-N 3.03Å; E556-W558 VanDerWaalsContact O-N 3.09Å; E556-A559 VanDerWaalsContact O-CB 3.24Å; E556-A559 WeakPolarHBondContact O-CB 3.46Å; E556-A559 PolarHBondContact O-N 2.92Å
557G87.5Confident93.9Very high72 Ų7255.1 Ų55.174%0.74230%0.304SS*.G310 helixtrans-63.1-15.9179.300000115.3G555G555-G557 VanDerWaalsContact C-N 3.28Å; G555-G557 PolarHBondContact O-N 3.13Å
558W92.6Very high93.8Very high57 Ų5757 Ų5722%0.21631%0.312CS..G310 helixtrans-99.6-10.7176.7-55110000113.1A527 V528 L531 I553 G555 E556 A560 I561 V562A527-W558 HydrophobicContact CB-CD2 4.02Å; A527-W558 HydrophobicContact CB-CG 4.34Å; A527-W558 HydrophobicContact CB-CH2 4.5Å; A527-W558 HydrophobicContact CB-CZ2 3.79Å; V528-W558 HydrophobicContact CG2-CH2 3.59Å; V528-W558 HydrophobicContact CG2-CZ2 4.39Å; V528-W558 HydrophobicContact CG2-CZ3 4.17Å; L531-W558 HydrophobicContact CD1-CD2 4.48Å; L531-W558 HydrophobicContact CD1-CE3 3.56Å; L531-W558 HydrophobicContact CD1-CZ3 3.84Å; I553-W558 HydrophobicContact CG2-CB 3.82Å; I553-W558 HydrophobicContact CG2-CG 3.96Å; G555-W558 PolarHBondContact O-N 3.08Å; E556-W558 PolarHBondContact O-N 3.03Å; E556-W558 VanDerWaalsContact O-N 3.09Å; W558-A560 VanDerWaalsContact C-N 3.34Å; W558-A560 PolarHBondContact O-N 3.2Å; W558-I561 PolarHBondContact O-N 2.94Å; W558-I561 VanDerWaalsContact O-N 3.17Å; W558-V562 HydrophobicContact CB-CG2 4.17Å; W558-V562 WeakPolarHBondContact O-CB 3.26Å; W558-V562 VanDerWaalsContact O-CG2 3.31Å; W558-V562 WeakPolarHBondContact O-CG2 3.35Å; W558-V562 PolarHBondContact O-N 3.13Å
559A92.1Very high93.8Very high41 Ų4149.6 Ų49.634%0.33928%0.28SS..Hα-helixtrans-56.6-44.4-167.100000112.8E556 A563E556-A559 VanDerWaalsContact O-CB 3.24Å; E556-A559 WeakPolarHBondContact O-CB 3.46Å; E556-A559 PolarHBondContact O-N 2.92Å; A559-A563 WeakPolarHBondContact O-CB 3.47Å; A559-A563 PolarHBondContact O-N 3.3Å
560A93Very high93.7Very high7 Ų749.8 Ų49.86%0.05828%0.28CS..Hα-helixtrans-63.7-45.1179.800000113W558 A563 D564 S589 V591 L595W558-A560 VanDerWaalsContact C-N 3.34Å; W558-A560 PolarHBondContact O-N 3.2Å; A560-A563 PolarHBondContact O-N 3.39Å; A560-D564 PolarHBondContact O-N 3.01Å; A560-S589 WeakPolarHBondContact CB-OG 3.4Å; A560-V591 HydrophobicContact CB-CB 3.67Å; A560-V591 HydrophobicContact CB-CG2 3.44Å; A560-V591 VanDerWaalsContact CB-CG2 3.44Å; A560-L595 HydrophobicContact CB-CD2 3.83Å
561I94.1Very high93.6Very high58 Ų5853 Ų5330%0.29730%0.297SS..Hα-helixtrans-70.7-40.2-178.5-55.6174.3000110.1L531 W558 A563 D564 L565 L595L531-I561 HydrophobicContact CD1-CB 4.47Å; L531-I561 HydrophobicContact CD1-CG2 3.97Å; L531-I561 HydrophobicContact CD2-CB 4.46Å; L531-I561 HydrophobicContact CD2-CG2 3.84Å; W558-I561 PolarHBondContact O-N 2.94Å; W558-I561 VanDerWaalsContact O-N 3.17Å; I561-A563 VanDerWaalsContact C-N 3.33Å; I561-D564 PolarHBondContact O-N 3.45Å; I561-L565 PolarHBondContact O-N 2.99Å; I561-L565 VanDerWaalsContact O-N 3.08Å; I561-L595 HydrophobicContact CG1-CD2 3.89Å
562V96.1Very high93.5Very high17 Ų1751.4 Ų51.410%0.10329%0.294CS..Hα-helixtrans-61.1-43.5174.2168.80000110.6L531 L550 I553 W558 R566L531-V562 HydrophobicContact CD2-CG2 3.97Å; L550-V562 HydrophobicContact CB-CG1 4.3Å; L550-V562 HydrophobicContact CD2-CG1 4.26Å; L550-V562 HydrophobicContact CD2-CG2 4.35Å; I553-V562 HydrophobicContact CB-CG2 4.03Å; I553-V562 HydrophobicContact CD1-CG2 4.2Å; I553-V562 HydrophobicContact CG2-CG2 3.84Å; W558-V562 HydrophobicContact CB-CG2 4.17Å; W558-V562 WeakPolarHBondContact O-CB 3.26Å; W558-V562 VanDerWaalsContact O-CG2 3.31Å; W558-V562 WeakPolarHBondContact O-CG2 3.35Å; W558-V562 PolarHBondContact O-N 3.13Å; V562-R566 WeakPolarHBondContact O-CB 3.44Å; V562-R566 PolarHBondContact O-N 3.34Å
563A95.7Very high93.4Very high11 Ų1152.6 Ų52.69%0.09129%0.292CS..Hα-helixtrans-63.6-43.8177.800000112.2A559 A560 I561 R566 G567 A582 G586A559-A563 WeakPolarHBondContact O-CB 3.47Å; A559-A563 PolarHBondContact O-N 3.3Å; A560-A563 PolarHBondContact O-N 3.39Å; I561-A563 VanDerWaalsContact C-N 3.33Å; A563-R566 PolarHBondContact O-N 2.94Å; A563-G567 PolarHBondContact O-N 3.18Å; A563-A582 WeakPolarHBondContact CB-O 3.4Å; A563-G586 VanDerWaalsContact CB-CA 3.43Å
564D95.6Very high93.2Very high7 Ų754.4 Ų54.44%0.03732%0.316CS..Hα-helixtrans-59-51.4177.2-174.553.8000112A560 I561 G567 E568 W583 L595 M598 M599 K602A560-D564 PolarHBondContact O-N 3.01Å; I561-D564 PolarHBondContact O-N 3.45Å; D564-G567 PolarHBondContact O-N 3.19Å; D564-E568 PolarHBondContact O-N 3.5Å; D564-E568 VanDerWaalsContact O-N 3.12Å; D564-W583 PolarHBondContact O-NE1 2.86Å; D564-W583 PolarHBondContact OD1-NE1 3.38Å; D564-L595 HydrophobicContact CB-CD1 4.36Å; D564-M598 VanDerWaalsContact CG-CE 3.5Å; D564-M598 WeakPolarHBondContact OD2-CE 3.48Å; D564-M599 HydrophobicContact CB-CG 4.11Å; D564-M599 HydrophobicContact CB-SD 3.95Å; D564-M599 WeakPolarHBondContact OD1-CG 3.37Å; D564-K602 IonicContact OD1-NZ 3.84Å; D564-K602 PolarHBondContact OD1-NZ 3.29Å; D564-K602 IonicContact OD2-NZ 3.52Å; D564-K602 PolarHBondContact OD2-NZ 3.36Å
565L96.2Very high93.4Very high2 Ų248.9 Ų48.91%0.0130%0.295CS..Hα-helixtrans-71.5-31.4-178.4-170.454.4000112.5L531 A534 R535 V538 L550 I561 G567 E568 A569L531-L565 WeakPolarHBondContact O-CD2 3.25Å; A534-L565 HydrophobicContact CB-CD2 3.68Å; A534-L565 HydrophobicContact CB-CG 4.41Å; R535-L565 HydrophobicContact CB-CD1 4.22Å; R535-L565 HydrophobicContact CB-CD2 4.05Å; R535-L565 HydrophobicContact CG-CD1 4.46Å; V538-L565 HydrophobicContact CG2-CD1 4.19Å; L550-L565 HydrophobicContact CD1-CB 4.35Å; L550-L565 HydrophobicContact CD1-CG 4.28Å; L550-L565 HydrophobicContact CD2-CB 4.34Å; L550-L565 HydrophobicContact CD2-CD2 4.08Å; L550-L565 HydrophobicContact CD2-CG 4.34Å; I561-L565 PolarHBondContact O-N 2.99Å; I561-L565 VanDerWaalsContact O-N 3.08Å; L565-G567 VanDerWaalsContact C-N 3.33Å; L565-E568 HydrophobicContact CD1-CB 4.47Å; L565-E568 WeakPolarHBondContact CD1-OE2 3.5Å; L565-E568 PolarHBondContact O-N 2.92Å; L565-A569 WeakPolarHBondContact O-CB 3.35Å; L565-A569 PolarHBondContact O-N 3.45Å
566R97.6Very high93.8Very high77 Ų7750.6 Ų50.629%0.29129%0.287SS..Hα-helixtrans-62-42.8170.5-180171.7-62.7-143.7-6.4110.8L547 L550 D551 V562 A563 A569 L570 A582L547-R566 HydrophobicContact CD2-CB 4.49Å; L547-R566 HydrophobicContact CD2-CG 3.74Å; L550-R566 HydrophobicContact CD1-CB 3.94Å; D551-R566 IonicContact OD1-CZ 2.69Å; D551-R566 IonicContact OD1-NH1 2.74Å; D551-R566 IonicContact OD1-NH2 2.69Å; D551-R566 PolarHBondContact OD1-NH2 3.29Å; V562-R566 WeakPolarHBondContact O-CB 3.44Å; V562-R566 PolarHBondContact O-N 3.34Å; A563-R566 PolarHBondContact O-N 2.94Å; R566-A569 PolarHBondContact O-N 2.83Å; R566-L570 HydrophobicContact CG-CD1 3.92Å; R566-L570 HydrophobicContact CG-CG 4.41Å; R566-L570 WeakPolarHBondContact O-CB 3.29Å; R566-L570 VanDerWaalsContact O-CG 3.24Å; R566-L570 WeakPolarHBondContact O-CG 3.48Å; R566-L570 PolarHBondContact O-N 3.28Å; R566-A582 HydrophobicContact CB-CB 4.26Å; R566-A582 HydrophobicContact CG-CB 4.01Å
567G96.4Very high94.2Very high0 Ų049.1 Ų49.10%028%0.28CS..Hα-helixtrans-62.7-41.5176.200000112.4A563 D564 L565 L570 L571 A579 W583A563-G567 PolarHBondContact O-N 3.18Å; D564-G567 PolarHBondContact O-N 3.19Å; L565-G567 VanDerWaalsContact C-N 3.33Å; G567-L570 PolarHBondContact O-N 3.38Å; G567-L571 WeakPolarHBondContact O-CB 3.49Å; G567-L571 PolarHBondContact O-N 3.02Å; G567-A579 VanDerWaalsContact O-CB 3.29Å; G567-A579 WeakPolarHBondContact O-CB 3.48Å; G567-W583 VanDerWaalsContact C-CZ2 3.47Å
568E95.5Very high94.6Very high64 Ų6446.4 Ų46.430%0.29925%0.253SS..Hα-helixtrans-62-46.3173.6-68.2-177.9170.900112.5D564 L565 L570 L571 S572 W583 K602D564-E568 PolarHBondContact O-N 3.5Å; D564-E568 VanDerWaalsContact O-N 3.12Å; L565-E568 HydrophobicContact CD1-CB 4.47Å; L565-E568 WeakPolarHBondContact CD1-OE2 3.5Å; L565-E568 PolarHBondContact O-N 2.92Å; E568-L570 PolarHBondContact O-N 3.45Å; E568-L571 PolarHBondContact O-N 3.42Å; E568-S572 WeakPolarHBondContact O-CB 3.14Å; E568-S572 PolarHBondContact O-N 2.98Å; E568-W583 HydrophobicContact CG-CZ2 4.4Å; E568-K602 IonicContact OE1-NZ 3.29Å; E568-K602 PolarHBondContact OE1-NZ 3.08Å
569A96.8Very high94.7Very high0 Ų043.7 Ų43.70%024%0.242CC..Hα-helixtrans-58.9-47.517600000111.9V538 A543 A546 L547 L565 R566 S572 K573V538-A569 HydrophobicContact CG2-CB 3.78Å; A543-A569 WeakPolarHBondContact CB-O 3.49Å; A546-A569 HydrophobicContact CB-CB 4.19Å; L547-A569 HydrophobicContact CD2-CB 3.96Å; L547-A569 HydrophobicContact CG-CB 4.14Å; L565-A569 WeakPolarHBondContact O-CB 3.35Å; L565-A569 PolarHBondContact O-N 3.45Å; R566-A569 PolarHBondContact O-N 2.83Å; A569-S572 PolarHBondContact O-N 3.42Å; A569-S572 PolarHBondContact O-OG 3.31Å; A569-K573 PolarHBondContact O-N 3.35Å
570L96.8Very high94.8Very high20 Ų2046.5 Ų46.511%0.10524%0.244CC..Hα-helixtrans-63.1-42.4177.4-69170.7000111.9L547 R566 G567 E568 S572 K573 G574 D575 G578 A579 A582L547-L570 HydrophobicContact CD1-CD2 3.8Å; L547-L570 HydrophobicContact CD2-CD2 4.16Å; L547-L570 HydrophobicContact CD2-CG 4.12Å; R566-L570 HydrophobicContact CG-CD1 3.92Å; R566-L570 HydrophobicContact CG-CG 4.41Å; R566-L570 WeakPolarHBondContact O-CB 3.29Å; R566-L570 VanDerWaalsContact O-CG 3.24Å; R566-L570 WeakPolarHBondContact O-CG 3.48Å; R566-L570 PolarHBondContact O-N 3.28Å; G567-L570 PolarHBondContact O-N 3.38Å; E568-L570 PolarHBondContact O-N 3.45Å; L570-S572 VanDerWaalsContact C-N 3.34Å; L570-S572 PolarHBondContact O-N 2.97Å; L570-K573 WeakPolarHBondContact O-CG 3.41Å; L570-K573 PolarHBondContact O-N 2.98Å; L570-G574 PolarHBondContact O-N 3.25Å; L570-D575 HydrophobicContact CB-CB 4.32Å; L570-D575 HydrophobicContact CD2-CB 4.48Å; L570-D575 PolarHBondContact O-N 3.21Å; L570-G578 WeakPolarHBondContact CD1-O 3.5Å; L570-A579 HydrophobicContact CB-CB 4.1Å; L570-A582 HydrophobicContact CD1-CB 4.23Å
571L94.3Very high95Very high69 Ų6949.1 Ų49.136%0.36126%0.262SS..Hα-helixtrans-64.3-40.5177.6-176.960.7000111.4G567 E568 K573 G574 K576 A579 W583 L606G567-L571 WeakPolarHBondContact O-CB 3.49Å; G567-L571 PolarHBondContact O-N 3.02Å; E568-L571 PolarHBondContact O-N 3.42Å; L571-K573 PolarHBondContact O-N 2.98Å; L571-G574 PolarHBondContact O-N 3.21Å; L571-K576 HydrophobicContact CD1-CG 3.99Å; L571-A579 HydrophobicContact CB-CB 3.9Å; L571-W583 HydrophobicContact CB-CH2 4.38Å; L571-W583 HydrophobicContact CD2-CH2 3.86Å; L571-L606 HydrophobicContact CD1-CD2 3.79Å; L571-L606 HydrophobicContact CD2-CD2 4.36Å
572S93.2Very high95Very high66 Ų6646.9 Ų46.946%0.46225%0.252SS..Hα-helixtrans-61.1-2517977.10000114A543 E568 A569 L570A543-S572 WeakPolarHBondContact CB-OG 3.47Å; E568-S572 WeakPolarHBondContact O-CB 3.14Å; E568-S572 PolarHBondContact O-N 2.98Å; A569-S572 PolarHBondContact O-N 3.42Å; A569-S572 PolarHBondContact O-OG 3.31Å; L570-S572 VanDerWaalsContact C-N 3.34Å; L570-S572 PolarHBondContact O-N 2.97Å
573K92.8Very high95Very high102 Ų10246.3 Ų46.344%0.44325%0.248SC..THydrogen-bonded Turntrans-97.27.8173.671.9176.4-163-173.60114A543 D544 A569 L570 L571 D575A543-K573 HydrophobicContact CB-CB 3.92Å; A543-K573 HydrophobicContact CB-CD 4.26Å; A543-K573 HydrophobicContact CB-CG 4.34Å; D544-K573 IonicContact OD1-NZ 3.13Å; D544-K573 PolarHBondContact OD1-NZ 2.9Å; A569-K573 PolarHBondContact O-N 3.35Å; L570-K573 WeakPolarHBondContact O-CG 3.41Å; L570-K573 PolarHBondContact O-N 2.98Å; L571-K573 PolarHBondContact O-N 2.98Å; K573-D575 HydrophobicContact CG-CB 4.38Å
574G91.2Very high95Very high58 Ų5849 Ų4960%0.59826%0.259SS*.THydrogen-bonded Turntrans86.34.3177.300000115.6L570 L571 K576L570-G574 PolarHBondContact O-N 3.25Å; L571-G574 PolarHBondContact O-N 3.21Å; G574-K576 PolarHBondContact O-N 2.94Å
575D94.2Very high94.9Very high61 Ų6151.4 Ų51.433%0.32628%0.28SS..  trans-84.477.3177.8-176.27.3000111.2L570 K573 Q577 G578 A579L570-D575 HydrophobicContact CB-CB 4.32Å; L570-D575 HydrophobicContact CD2-CB 4.48Å; L570-D575 PolarHBondContact O-N 3.21Å; K573-D575 HydrophobicContact CG-CB 4.38Å; D575-Q577 VanDerWaalsContact C-N 3.31Å; D575-Q577 PolarHBondContact O-N 3.05Å; D575-G578 PolarHBondContact O-N 2.95Å; D575-G578 WeakPolarHBondContact OD1-CA 3.45Å; D575-G578 PolarHBondContact OD1-N 3.42Å; D575-A579 WeakPolarHBondContact O-CB 3.31Å; D575-A579 PolarHBondContact O-N 3.13Å
576K93.2Very high94.7Very high90 Ų9051.3 Ų51.339%0.39128%0.279SS..Hα-helixtrans-61.5-36.9179.3-68.6-177.2175.6-177.40112.9L571 G574 A579 R580 L606 S607L571-K576 HydrophobicContact CD1-CG 3.99Å; G574-K576 PolarHBondContact O-N 2.94Å; K576-A579 PolarHBondContact O-N 3.45Å; K576-R580 WeakPolarHBondContact O-CB 3.26Å; K576-R580 PolarHBondContact O-N 3.24Å; K576-L606 HydrophobicContact CB-CD2 4.43Å; K576-L606 HydrophobicContact CG-CD2 4.34Å; K576-S607 PolarHBondContact NZ-O 3.32Å
577Q93.8Very high94.5Very high152 Ų15249.5 Ų49.571%0.7128%0.277SS*.Hα-helixtrans-73.2-42-177.6-171.6175.53.900111D575 R580 S581D575-Q577 VanDerWaalsContact C-N 3.31Å; D575-Q577 PolarHBondContact O-N 3.05Å; Q577-R580 PolarHBondContact O-N 3.37Å; Q577-S581 WeakPolarHBondContact O-CB 3.46Å; Q577-S581 PolarHBondContact O-N 2.96Å; Q577-S581 PolarHBondContact O-OG 3.15Å
578G94.5Very high94.1Very high16 Ų1657.8 Ų57.817%0.16531%0.313CS..Hα-helixtrans-62-43.3171.200000111.8L570 D575 R580 S581 A582L570-G578 WeakPolarHBondContact CD1-O 3.5Å; D575-G578 PolarHBondContact O-N 2.95Å; D575-G578 WeakPolarHBondContact OD1-CA 3.45Å; D575-G578 PolarHBondContact OD1-N 3.42Å; G578-R580 PolarHBondContact O-N 3.23Å; G578-S581 PolarHBondContact O-N 3.35Å; G578-A582 PolarHBondContact O-N 3.39Å
579A95.1Very high93.8Very high0 Ų056.3 Ų56.30%031%0.309CS..Hα-helixtrans-59-4817700000112.3G567 L570 L571 D575 K576 S581 A582 W583G567-A579 VanDerWaalsContact O-CB 3.29Å; G567-A579 WeakPolarHBondContact O-CB 3.48Å; L570-A579 HydrophobicContact CB-CB 4.1Å; L571-A579 HydrophobicContact CB-CB 3.9Å; D575-A579 WeakPolarHBondContact O-CB 3.31Å; D575-A579 PolarHBondContact O-N 3.13Å; K576-A579 PolarHBondContact O-N 3.45Å; A579-S581 PolarHBondContact O-N 3.41Å; A579-A582 PolarHBondContact O-N 2.95Å; A579-W583 HydrophobicContact CB-CE3 4.49Å; A579-W583 HydrophobicContact CB-CH2 4.18Å; A579-W583 HydrophobicContact CB-CZ3 4.13Å; A579-W583 PolarHBondContact O-N 2.95Å; A579-W583 VanDerWaalsContact O-N 3.07Å
580R95.3Very high93.1Very high99 Ų9964.2 Ų64.237%0.37435%0.352SS..Hα-helixtrans-57.5-47.7174.1-179.2168.3178.4151.13.5112K576 Q577 G578 A582 W583 E584 I603 L606 I608K576-R580 WeakPolarHBondContact O-CB 3.26Å; K576-R580 PolarHBondContact O-N 3.24Å; Q577-R580 PolarHBondContact O-N 3.37Å; G578-R580 PolarHBondContact O-N 3.23Å; R580-A582 VanDerWaalsContact C-N 3.29Å; R580-A582 PolarHBondContact O-N 2.93Å; R580-W583 PolarHBondContact O-N 3.09Å; R580-E584 HydrophobicContact CG-CG 4.27Å; R580-E584 WeakPolarHBondContact CG-OE1 3.4Å; R580-E584 IonicContact CZ-OE1 3.48Å; R580-E584 IonicContact NE-OE1 3.92Å; R580-E584 PolarHBondContact NE-OE1 2.93Å; R580-E584 IonicContact NH2-OE1 2.81Å; R580-E584 WeakPolarHBondContact O-CB 3.39Å; R580-E584 WeakPolarHBondContact O-CG 3.32Å; R580-E584 PolarHBondContact O-N 3.36Å; R580-I603 HydrophobicContact CG-CG2 4.37Å; R580-L606 HydrophobicContact CB-CD1 3.71Å; R580-L606 HydrophobicContact CG-CD1 4.45Å; R580-I608 HydrophobicContact CB-CD1 4.32Å; R580-I608 VanDerWaalsContact CD-CD1 3.45Å
581S95.6Very high92.5Very high63 Ų6364.7 Ų64.744%0.44136%0.355SS..Hα-helixtrans-61.6-38.7-179-56.70000111.9Q577 G578 A579 A585Q577-S581 WeakPolarHBondContact O-CB 3.46Å; Q577-S581 PolarHBondContact O-N 2.96Å; Q577-S581 PolarHBondContact O-OG 3.15Å; G578-S581 PolarHBondContact O-N 3.35Å; A579-S581 PolarHBondContact O-N 3.41Å; S581-A585 WeakPolarHBondContact O-CB 3.27Å; S581-A585 PolarHBondContact O-N 2.85Å
582A95.6Very high92.2Very high11 Ų1165.6 Ų65.69%0.09136%0.364CS..Hα-helixtrans-64.6-48.5175.700000111.7A563 R566 L570 G578 A579 R580 E584 A585 G586A563-A582 WeakPolarHBondContact CB-O 3.4Å; R566-A582 HydrophobicContact CB-CB 4.26Å; R566-A582 HydrophobicContact CG-CB 4.01Å; L570-A582 HydrophobicContact CD1-CB 4.23Å; G578-A582 PolarHBondContact O-N 3.39Å; A579-A582 PolarHBondContact O-N 2.95Å; R580-A582 VanDerWaalsContact C-N 3.29Å; R580-A582 PolarHBondContact O-N 2.93Å; A582-E584 PolarHBondContact O-N 3.45Å; A582-A585 WeakPolarHBondContact O-CB 3.34Å; A582-A585 PolarHBondContact O-N 3.09Å; A582-G586 PolarHBondContact O-N 3.39Å
583W96.4Very high92Very high5 Ų567.2 Ų67.22%0.01937%0.373CS..Hα-helixtrans-65.2-38.8177.9-66.2-38.5000113D564 G567 E568 L571 A579 R580 A585 G586 V587 M599 K602 I603 L606D564-W583 PolarHBondContact O-NE1 2.86Å; D564-W583 PolarHBondContact OD1-NE1 3.38Å; G567-W583 VanDerWaalsContact C-CZ2 3.47Å; E568-W583 HydrophobicContact CG-CZ2 4.4Å; L571-W583 HydrophobicContact CB-CH2 4.38Å; L571-W583 HydrophobicContact CD2-CH2 3.86Å; A579-W583 HydrophobicContact CB-CE3 4.49Å; A579-W583 HydrophobicContact CB-CH2 4.18Å; A579-W583 HydrophobicContact CB-CZ3 4.13Å; A579-W583 PolarHBondContact O-N 2.95Å; A579-W583 VanDerWaalsContact O-N 3.07Å; R580-W583 PolarHBondContact O-N 3.09Å; W583-A585 VanDerWaalsContact C-N 3.29Å; W583-A585 PolarHBondContact O-N 3.46Å; W583-G586 PolarHBondContact O-N 3.06Å; W583-G586 VanDerWaalsContact O-N 3.16Å; W583-V587 WeakPolarHBondContact O-CG2 3.43Å; W583-V587 PolarHBondContact O-N 3.44Å; W583-M599 HydrophobicContact CB-CB 4.26Å; W583-M599 HydrophobicContact CG-CB 4.49Å; W583-M599 HydrophobicContact CG-CG 4.48Å; W583-K602 HydrophobicContact CD2-CB 3.97Å; W583-K602 HydrophobicContact CD2-CD 4.45Å; W583-K602 HydrophobicContact CE3-CB 3.84Å; W583-K602 HydrophobicContact CH2-CB 3.96Å; W583-K602 HydrophobicContact CH2-CD 4.42Å; W583-K602 HydrophobicContact CZ2-CB 4.08Å; W583-K602 HydrophobicContact CZ2-CD 3.8Å; W583-K602 HydrophobicContact CZ2-CG 4.41Å; W583-K602 HydrophobicContact CZ3-CB 3.81Å; W583-I603 HydrophobicContact CB-CD1 3.73Å; W583-I603 HydrophobicContact CB-CG1 3.6Å; W583-I603 HydrophobicContact CE3-CG1 4.12Å; W583-I603 HydrophobicContact CG-CG1 4.44Å; W583-L606 HydrophobicContact CE3-CD1 3.92Å; W583-L606 HydrophobicContact CZ3-CD1 3.56Å; W583-L606 HydrophobicContact CZ3-CD2 4.09Å; W583-L606 HydrophobicContact CZ3-CG 3.82Å
584E94.9Very high91.9Very high66 Ų6665.8 Ų65.831%0.30838%0.38SS..Hα-helixtrans-62.4-36.1173.7-74.9178.5-177.200112R580 A582 K588 I603R580-E584 HydrophobicContact CG-CG 4.27Å; R580-E584 WeakPolarHBondContact CG-OE1 3.4Å; R580-E584 IonicContact CZ-OE1 3.48Å; R580-E584 IonicContact NE-OE1 3.92Å; R580-E584 PolarHBondContact NE-OE1 2.93Å; R580-E584 IonicContact NH2-OE1 2.81Å; R580-E584 WeakPolarHBondContact O-CB 3.39Å; R580-E584 WeakPolarHBondContact O-CG 3.32Å; R580-E584 PolarHBondContact O-N 3.36Å; A582-E584 PolarHBondContact O-N 3.45Å; E584-K588 WeakPolarHBondContact O-CD 3.45Å; E584-K588 VanDerWaalsContact O-CG 3.29Å; E584-K588 WeakPolarHBondContact O-CG 2.92Å; E584-K588 PolarHBondContact O-N 3.25Å; E584-I603 HydrophobicContact CG-CD1 3.89Å
585A93.7Very high91.8Very high58 Ų5864.5 Ų64.548%0.47936%0.359SS..Hα-helixtrans-68.1-39.8172.900000111.8S581 A582 W583 K588 S589S581-A585 WeakPolarHBondContact O-CB 3.27Å; S581-A585 PolarHBondContact O-N 2.85Å; A582-A585 WeakPolarHBondContact O-CB 3.34Å; A582-A585 PolarHBondContact O-N 3.09Å; W583-A585 VanDerWaalsContact C-N 3.29Å; W583-A585 PolarHBondContact O-N 3.46Å; A585-K588 PolarHBondContact O-N 3.38Å; A585-S589 PolarHBondContact O-N 3.25Å
586G92.5Very high91.7Very high0 Ų063 Ų630%035%0.353CS..Hα-helixtrans-63.4-44.2176.300000113.2A563 A582 W583 K588 S589A563-G586 VanDerWaalsContact CB-CA 3.43Å; A582-G586 PolarHBondContact O-N 3.39Å; W583-G586 PolarHBondContact O-N 3.06Å; W583-G586 VanDerWaalsContact O-N 3.16Å; G586-K588 PolarHBondContact O-N 2.94Å; G586-S589 WeakPolarHBondContact O-CB 3.47Å; G586-S589 PolarHBondContact O-N 3.36Å; G586-S589 VanDerWaalsContact O-N 3.09Å; G586-S589 PolarHBondContact O-OG 3.03Å
587V91.8Very high91.6Very high40 Ų4065.4 Ų65.424%0.24237%0.366CS..Hα-helixtrans-61.3-30176.3170.10000112W583 M599 I603W583-V587 WeakPolarHBondContact O-CG2 3.43Å; W583-V587 PolarHBondContact O-N 3.44Å; V587-M599 HydrophobicContact CG2-CB 3.79Å; V587-M599 HydrophobicContact CG2-CE 4.13Å; V587-I603 HydrophobicContact CG2-CD1 4.49Å
588K89.3Confident91.6Very high173 Ų17361.2 Ų61.275%0.75235%0.348SS*.THydrogen-bonded Turntrans-82.7-10.8177.6-70.2171.1-173.9171.30114.2E584 A585 G586E584-K588 WeakPolarHBondContact O-CD 3.45Å; E584-K588 VanDerWaalsContact O-CG 3.29Å; E584-K588 WeakPolarHBondContact O-CG 2.92Å; E584-K588 PolarHBondContact O-N 3.25Å; A585-K588 PolarHBondContact O-N 3.38Å; G586-K588 PolarHBondContact O-N 2.94Å
589S87.9Confident91.6Very high33 Ų3360.5 Ų60.523%0.23134%0.34CS..SBendtrans-80.4171.2177.8720000111.6A560 A585 G586 V591A560-S589 WeakPolarHBondContact CB-OG 3.4Å; A585-S589 PolarHBondContact O-N 3.25Å; G586-S589 WeakPolarHBondContact O-CB 3.47Å; G586-S589 PolarHBondContact O-N 3.36Å; G586-S589 VanDerWaalsContact O-N 3.09Å; G586-S589 PolarHBondContact O-OG 3.03Å; S589-V591 PolarHBondContact O-N 3.1Å
590D82.4Confident91.5Very high166 Ų16664.2 Ų64.289%0.88836%0.357SS*.SBendtrans-70.694.2170.7-169.116.5000109.3
591V85.8Confident91.3Very high30 Ų3064.7 Ų64.718%0.18237%0.365CS..  trans-128.5147.7-169.665.30000111A560 S589 L595 M599A560-V591 HydrophobicContact CB-CB 3.67Å; A560-V591 HydrophobicContact CB-CG2 3.44Å; A560-V591 VanDerWaalsContact CB-CG2 3.44Å; S589-V591 PolarHBondContact O-N 3.1Å; V591-L595 HydrophobicContact CG2-CB 3.61Å; V591-L595 HydrophobicContact CG2-CD2 3.78Å; V591-L595 HydrophobicContact CG2-CG 3.7Å; V591-M599 HydrophobicContact CG2-CE 4.07Å
592T87.7Confident91.3Very high88 Ų8863.5 Ų63.554%0.5435%0.352SS..  trans-63.814717362.60000110.9A594 L595 S596T592-A594 PolarHBondContact O-N 2.64Å; T592-A594 VanDerWaalsContact O-N 3.16Å; T592-L595 PolarHBondContact O-N 2.67Å; T592-L595 VanDerWaalsContact O-N 3.14Å; T592-S596 PolarHBondContact O-N 3.06Å
593P88.8Confident91.1Very high100 Ų10063.3 Ų63.365%0.64935%0.349SS*.Hα-helixtrans-52.4-40.8178.9-29.135.4000113.3S596 E597P593-S596 WeakPolarHBondContact O-CB 3.44Å; P593-S596 PolarHBondContact O-N 3.33Å; P593-E597 WeakPolarHBondContact O-CG 3.36Å; P593-E597 PolarHBondContact O-N 3.38Å
594A89.9Confident90.9Very high72 Ų7268.4 Ų68.460%0.59538%0.377SS*.Hα-helixtrans-63.4-44.2179.900000113.4T592 S596 M598T592-A594 PolarHBondContact O-N 2.64Å; T592-A594 VanDerWaalsContact O-N 3.16Å; A594-S596 VanDerWaalsContact C-N 3.34Å; A594-M598 WeakPolarHBondContact O-CB 3.43Å; A594-M598 PolarHBondContact O-N 3.01Å
595L89.3Confident90.6Very high31 Ų3171.2 Ų71.216%0.16239%0.394CS..Hα-helixtrans-71.4-34.4178.9-179.158.2000110.9A560 I561 D564 V591 T592 M598 M599A560-L595 HydrophobicContact CB-CD2 3.83Å; I561-L595 HydrophobicContact CG1-CD2 3.89Å; D564-L595 HydrophobicContact CB-CD1 4.36Å; V591-L595 HydrophobicContact CG2-CB 3.61Å; V591-L595 HydrophobicContact CG2-CD2 3.78Å; V591-L595 HydrophobicContact CG2-CG 3.7Å; T592-L595 PolarHBondContact O-N 2.67Å; T592-L595 VanDerWaalsContact O-N 3.14Å; L595-M598 HydrophobicContact CD1-CE 3.42Å; L595-M598 VanDerWaalsContact CD1-CE 3.42Å; L595-M598 PolarHBondContact O-N 2.65Å; L595-M599 HydrophobicContact CG-CE 4.14Å; L595-M599 WeakPolarHBondContact O-CG 3.49Å; L595-M599 PolarHBondContact O-N 3.3Å
596S91.5Very high90.2Very high29 Ų2969.5 Ų69.520%0.20338%0.377CS..Hα-helixtrans-60.7-50172.2-164.30000112.1T592 P593 A594 M598 M599 Q600T592-S596 PolarHBondContact O-N 3.06Å; P593-S596 WeakPolarHBondContact O-CB 3.44Å; P593-S596 PolarHBondContact O-N 3.33Å; A594-S596 VanDerWaalsContact C-N 3.34Å; S596-M598 VanDerWaalsContact C-N 3.33Å; S596-M598 PolarHBondContact O-N 3.29Å; S596-M599 PolarHBondContact O-N 3.2Å; S596-Q600 WeakPolarHBondContact O-CB 2.83Å; S596-Q600 PolarHBondContact O-N 3.22Å
597E92.2Very high89.3Confident141 Ų14173.9 Ų73.966%0.65941%0.408SS*.Hα-helixtrans-60.9-40.4177.1-75.8177-17100112.2P593 Q600 M601P593-E597 WeakPolarHBondContact O-CG 3.36Å; P593-E597 PolarHBondContact O-N 3.38Å; E597-Q600 PolarHBondContact O-N 3.09Å; E597-M601 WeakPolarHBondContact O-CB 3.38Å; E597-M601 PolarHBondContact O-N 3.25Å
598M92.7Very high87.7Confident65 Ų6579 Ų7932%0.3243%0.432SS..Hα-helixtrans-62.2-46.8176.7-171.8-175.380.500111.8D564 A594 L595 S596 Q600 M601 K602D564-M598 VanDerWaalsContact CG-CE 3.5Å; D564-M598 WeakPolarHBondContact OD2-CE 3.48Å; A594-M598 WeakPolarHBondContact O-CB 3.43Å; A594-M598 PolarHBondContact O-N 3.01Å; L595-M598 HydrophobicContact CD1-CE 3.42Å; L595-M598 VanDerWaalsContact CD1-CE 3.42Å; L595-M598 PolarHBondContact O-N 2.65Å; S596-M598 VanDerWaalsContact C-N 3.33Å; S596-M598 PolarHBondContact O-N 3.29Å; M598-Q600 VanDerWaalsContact C-N 3.34Å; M598-M601 PolarHBondContact O-N 3.48Å; M598-K602 WeakPolarHBondContact O-CG 3.25Å; M598-K602 PolarHBondContact O-N 3.28Å
599M94.3Very high87.6Confident0 Ų074.4 Ų74.40%042%0.416CS..Hα-helixtrans-64.2-39.3175.6-74-174.2-67.300111.5D564 W583 V587 V591 L595 S596 M601 K602 I603D564-M599 HydrophobicContact CB-CG 4.11Å; D564-M599 HydrophobicContact CB-SD 3.95Å; D564-M599 WeakPolarHBondContact OD1-CG 3.37Å; W583-M599 HydrophobicContact CB-CB 4.26Å; W583-M599 HydrophobicContact CG-CB 4.49Å; W583-M599 HydrophobicContact CG-CG 4.48Å; V587-M599 HydrophobicContact CG2-CB 3.79Å; V587-M599 HydrophobicContact CG2-CE 4.13Å; V591-M599 HydrophobicContact CG2-CE 4.07Å; L595-M599 HydrophobicContact CG-CE 4.14Å; L595-M599 WeakPolarHBondContact O-CG 3.49Å; L595-M599 PolarHBondContact O-N 3.3Å; S596-M599 PolarHBondContact O-N 3.2Å; M599-M601 VanDerWaalsContact C-N 3.34Å; M599-M601 PolarHBondContact O-N 2.9Å; M599-K602 WeakPolarHBondContact O-CB 3.4Å; M599-K602 PolarHBondContact O-N 3.13Å; M599-I603 WeakPolarHBondContact O-CG1 3.27Å; M599-I603 PolarHBondContact O-N 2.96Å
600Q93.2Very high87.6Confident79 Ų7976.5 Ų76.537%0.36943%0.426SS..Hα-helixtrans-63.7-39.5176.7-168.660.457.200112.1S596 E597 M598 I603 N604S596-Q600 WeakPolarHBondContact O-CB 2.83Å; S596-Q600 PolarHBondContact O-N 3.22Å; E597-Q600 PolarHBondContact O-N 3.09Å; M598-Q600 VanDerWaalsContact C-N 3.34Å; Q600-I603 PolarHBondContact O-N 3.49Å; Q600-N604 PolarHBondContact NE2-OD1 2.77Å; Q600-N604 PolarHBondContact O-N 3.14Å; Q600-N604 PolarHBondContact O-ND2 3.44Å; Q600-N604 PolarHBondContact O-OD1 2.91Å
601M92.8Very high87.9Confident108 Ų10871.6 Ų71.653%0.53240%0.4SS..Hα-helixtrans-64-41.2173.2179.317444.200111.6E597 M598 M599 I603 N604 N605E597-M601 WeakPolarHBondContact O-CB 3.38Å; E597-M601 PolarHBondContact O-N 3.25Å; M598-M601 PolarHBondContact O-N 3.48Å; M599-M601 VanDerWaalsContact C-N 3.34Å; M599-M601 PolarHBondContact O-N 2.9Å; M601-I603 VanDerWaalsContact C-N 3.34Å; M601-I603 PolarHBondContact O-N 3.49Å; M601-N604 PolarHBondContact O-N 3.25Å; M601-N605 WeakPolarHBondContact O-CB 3.27Å; M601-N605 VanDerWaalsContact O-CG 3.31Å; M601-N605 PolarHBondContact O-N 3.36Å; M601-N605 PolarHBondContact O-ND2 3.33Å
602K93.6Very high88Confident39 Ų3974 Ų7417%0.1741%0.413CS..Hα-helixtrans-60.5-42.2173.4-70.8175.5176.9-175.40111.8D564 E568 W583 M598 M599 N605 L606D564-K602 IonicContact OD1-NZ 3.84Å; D564-K602 PolarHBondContact OD1-NZ 3.29Å; D564-K602 IonicContact OD2-NZ 3.52Å; D564-K602 PolarHBondContact OD2-NZ 3.36Å; E568-K602 IonicContact OE1-NZ 3.29Å; E568-K602 PolarHBondContact OE1-NZ 3.08Å; W583-K602 HydrophobicContact CD2-CB 3.97Å; W583-K602 HydrophobicContact CD2-CD 4.45Å; W583-K602 HydrophobicContact CE3-CB 3.84Å; W583-K602 HydrophobicContact CH2-CB 3.96Å; W583-K602 HydrophobicContact CH2-CD 4.42Å; W583-K602 HydrophobicContact CZ2-CB 4.08Å; W583-K602 HydrophobicContact CZ2-CD 3.8Å; W583-K602 HydrophobicContact CZ2-CG 4.41Å; W583-K602 HydrophobicContact CZ3-CB 3.81Å; M598-K602 WeakPolarHBondContact O-CG 3.25Å; M598-K602 PolarHBondContact O-N 3.28Å; M599-K602 WeakPolarHBondContact O-CB 3.4Å; M599-K602 PolarHBondContact O-N 3.13Å; K602-N605 PolarHBondContact O-N 3.15Å; K602-L606 PolarHBondContact O-N 3.37Å
603I92.7Very high88Confident7 Ų773.1 Ų73.14%0.03641%0.405CS..Hα-helixtrans-61.4-46.9174.7-67163.5000111R580 W583 E584 V587 M599 Q600 M601 N605 L606R580-I603 HydrophobicContact CG-CG2 4.37Å; W583-I603 HydrophobicContact CB-CD1 3.73Å; W583-I603 HydrophobicContact CB-CG1 3.6Å; W583-I603 HydrophobicContact CE3-CG1 4.12Å; W583-I603 HydrophobicContact CG-CG1 4.44Å; E584-I603 HydrophobicContact CG-CD1 3.89Å; V587-I603 HydrophobicContact CG2-CD1 4.49Å; M599-I603 WeakPolarHBondContact O-CG1 3.27Å; M599-I603 PolarHBondContact O-N 2.96Å; Q600-I603 PolarHBondContact O-N 3.49Å; M601-I603 VanDerWaalsContact C-N 3.34Å; M601-I603 PolarHBondContact O-N 3.49Å; I603-N605 VanDerWaalsContact C-N 3.28Å; I603-N605 PolarHBondContact O-N 2.83Å; I603-L606 WeakPolarHBondContact O-CB 3.23Å; I603-L606 PolarHBondContact O-N 2.69Å
604N91.6Very high87.9Confident111 Ų11171.3 Ų71.359%0.59439%0.389SS*.Hα-helixtrans-65.9-31.7-178.3-66.8-11.4000112.5Q600 M601 L606Q600-N604 PolarHBondContact NE2-OD1 2.77Å; Q600-N604 PolarHBondContact O-N 3.14Å; Q600-N604 PolarHBondContact O-ND2 3.44Å; Q600-N604 PolarHBondContact O-OD1 2.91Å; M601-N604 PolarHBondContact O-N 3.25Å; N604-L606 VanDerWaalsContact C-N 3.29Å
605N89.7Confident87.8Confident126 Ų12671.3 Ų71.367%0.67437%0.374SS*.THydrogen-bonded Turntrans-78.8-9.3177.4-72.7-18.4000113.5M601 K602 I603 S607M601-N605 WeakPolarHBondContact O-CB 3.27Å; M601-N605 VanDerWaalsContact O-CG 3.31Å; M601-N605 PolarHBondContact O-N 3.36Å; M601-N605 PolarHBondContact O-ND2 3.33Å; K602-N605 PolarHBondContact O-N 3.15Å; I603-N605 VanDerWaalsContact C-N 3.28Å; I603-N605 PolarHBondContact O-N 2.83Å; N605-S607 PolarHBondContact O-N 2.98Å; N605-S607 VanDerWaalsContact O-N 3.08Å
606L84.9Confident87.7Confident21 Ų2174.4 Ų74.411%0.1139%0.39CS..  trans-72.1102.4170.5-72.4171.3000109.4L571 K576 R580 W583 K602 I603 N604 I608L571-L606 HydrophobicContact CD1-CD2 3.79Å; L571-L606 HydrophobicContact CD2-CD2 4.36Å; K576-L606 HydrophobicContact CB-CD2 4.43Å; K576-L606 HydrophobicContact CG-CD2 4.34Å; R580-L606 HydrophobicContact CB-CD1 3.71Å; R580-L606 HydrophobicContact CG-CD1 4.45Å; W583-L606 HydrophobicContact CE3-CD1 3.92Å; W583-L606 HydrophobicContact CZ3-CD1 3.56Å; W583-L606 HydrophobicContact CZ3-CD2 4.09Å; W583-L606 HydrophobicContact CZ3-CG 3.82Å; K602-L606 PolarHBondContact O-N 3.37Å; I603-L606 WeakPolarHBondContact O-CB 3.23Å; I603-L606 PolarHBondContact O-N 2.69Å; N604-L606 VanDerWaalsContact C-N 3.29Å; L606-I608 VanDerWaalsContact C-N 3.3Å; L606-I608 HydrophobicContact CB-CD1 4.39Å; L606-I608 HydrophobicContact CB-CG1 3.96Å; L606-I608 HydrophobicContact CD1-CD1 4.48Å; L606-I608 PolarHBondContact O-N 2.71Å
607S72.8Confident87.4Confident93 Ų9378.2 Ų78.265%0.6541%0.406SS*.  trans-70.39116161.90000108.2K576 N605K576-S607 PolarHBondContact NZ-O 3.32Å; N605-S607 PolarHBondContact O-N 2.98Å; N605-S607 VanDerWaalsContact O-N 3.08Å
608I57.9Low86.9Confident148 Ų14872.5 Ų72.576%0.75938%0.383SS*.  trans-86.10171.7-57.6-173.3000109.1R580 L606R580-I608 HydrophobicContact CB-CD1 4.32Å; R580-I608 VanDerWaalsContact CD-CD1 3.45Å; L606-I608 VanDerWaalsContact C-N 3.3Å; L606-I608 HydrophobicContact CB-CD1 4.39Å; L606-I608 HydrophobicContact CB-CG1 3.96Å; L606-I608 HydrophobicContact CD1-CD1 4.48Å; L606-I608 PolarHBondContact O-N 2.71Å

Retrieved 608 of 608 residues in 1035.2 ms (Link to these results)

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