A0A077ZMF7_TRITR Loading...

LysR substrate and HTH 1 domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZMF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 307 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
1M47.1Very low75.4Confident221 Ų221116 Ų116100%1.08957%0.571SS**  0-38.10-12216883.200112.9K3 N4M1-K3 PolarHBondContact O-N 3.45Å; M1-N4 PolarHBondContact O-N 3.26Å
2E55.9Low77.1Confident163 Ų163119.6 Ų119.676%0.76257%0.573SS**Hα-helixtrans-61.8-42.3-177.2-69.4-179.8155.900115.4N4 S5 L6E2-N4 VanDerWaalsContact C-N 3.29Å; E2-N4 PolarHBondContact O-N 3.43Å; E2-S5 PolarHBondContact O-N 3.24Å; E2-L6 PolarHBondContact O-N 3.07Å; E2-L6 VanDerWaalsContact O-N 3.15Å
3K59.2Low78.6Confident183 Ų183116.4 Ų116.480%0.79656%0.56SS**Hα-helixtrans-57-39.2179.4-75.7-171.7178.1-178.30113.1M1 L6 F7M1-K3 PolarHBondContact O-N 3.45Å; K3-L6 PolarHBondContact O-N 3.49Å; K3-F7 PolarHBondContact O-N 3.23Å; K3-F7 VanDerWaalsContact O-N 3.07Å
4N60.5Low79.9Confident128 Ų128117.9 Ų117.968%0.68456%0.557SS**Hα-helixtrans-72.4-35.3-178.5-734.8000112.5M1 E2 L6 F7 S8M1-N4 PolarHBondContact O-N 3.26Å; E2-N4 VanDerWaalsContact C-N 3.29Å; E2-N4 PolarHBondContact O-N 3.43Å; N4-L6 VanDerWaalsContact C-N 3.34Å; N4-F7 PolarHBondContact O-N 3.15Å; N4-S8 PolarHBondContact O-N 3.31Å
5S67.5Low81.1Confident59 Ų59110.4 Ų110.441%0.41352%0.522SS..Hα-helixtrans-65.9-39175.3-179.10000111.4E2 S8 Q9E2-S5 PolarHBondContact O-N 3.24Å; S5-S8 PolarHBondContact O-OG 3.21Å; S5-Q9 VanDerWaalsContact O-CG 3.25Å; S5-Q9 WeakPolarHBondContact O-CG 3.31Å; S5-Q9 PolarHBondContact O-N 3.35Å
6L82Confident82.1Confident78 Ų78104.1 Ų104.141%0.40849%0.493SS..Hα-helixtrans-67.2-36.4175.2-68.8170.6000112.4E2 K3 N4 R10E2-L6 PolarHBondContact O-N 3.07Å; E2-L6 VanDerWaalsContact O-N 3.15Å; K3-L6 PolarHBondContact O-N 3.49Å; N4-L6 VanDerWaalsContact C-N 3.34Å; L6-R10 WeakPolarHBondContact O-CB 3.26Å; L6-R10 VanDerWaalsContact O-CG 3.26Å; L6-R10 WeakPolarHBondContact O-CG 3.41Å; L6-R10 PolarHBondContact O-N 3.3Å
7F88.8Confident83Confident54 Ų54102.8 Ų102.824%0.23749%0.486CS..Hα-helixtrans-61.6-53.7177.1175.6-104.5000111.8K3 N4 Q9 R10 I11 L52 T53 F74K3-F7 PolarHBondContact O-N 3.23Å; K3-F7 VanDerWaalsContact O-N 3.07Å; N4-F7 PolarHBondContact O-N 3.15Å; F7-Q9 VanDerWaalsContact C-N 3.27Å; F7-Q9 PolarHBondContact O-N 3.22Å; F7-R10 PolarHBondContact O-N 2.9Å; F7-R10 VanDerWaalsContact O-N 3.12Å; F7-I11 HydrophobicContact CE1-CD1 4.02Å; F7-I11 HydrophobicContact CE1-CG2 4.41Å; F7-I11 HydrophobicContact CE2-CB 4.44Å; F7-I11 HydrophobicContact CE2-CD1 4.01Å; F7-I11 HydrophobicContact CZ-CB 4.33Å; F7-I11 HydrophobicContact CZ-CD1 3.4Å; F7-I11 VanDerWaalsContact CZ-CD1 3.4Å; F7-I11 HydrophobicContact CZ-CG1 4.43Å; F7-I11 WeakPolarHBondContact O-CG2 3.25Å; F7-I11 PolarHBondContact O-N 3.12Å; F7-L52 HydrophobicContact CD2-CB 3.84Å; F7-L52 VanDerWaalsContact CD2-O 3.31Å; F7-L52 WeakPolarHBondContact CD2-O 3.43Å; F7-L52 HydrophobicContact CE2-CB 3.81Å; F7-T53 HydrophobicContact CE2-CG2 3.66Å; F7-T53 HydrophobicContact CZ-CG2 3.94Å; F7-F74 HydrophobicContact CE1-CE2 4.42Å; F7-F74 AromaticContact CZ-CE2 3.81Å; F7-F74 HydrophobicContact CZ-CE2 3.81Å; F7-F74 HydrophobicContact CZ-CZ 4.18Å
8S87.8Confident83.8Confident80 Ų8097.2 Ų97.256%0.55946%0.46SS*.Hα-helixtrans-64.9-29.3-176.7630000113.3N4 S5N4-S8 PolarHBondContact O-N 3.31Å; S5-S8 PolarHBondContact O-OG 3.21Å
9Q90.4Very high84.6Confident127 Ų12792.1 Ų92.159%0.59344%0.436SS*.Hα-helixtrans-74.7-28175.3-71.4173.9-1.500113.6S5 F7S5-Q9 VanDerWaalsContact O-CG 3.25Å; S5-Q9 WeakPolarHBondContact O-CG 3.31Å; S5-Q9 PolarHBondContact O-N 3.35Å; F7-Q9 VanDerWaalsContact C-N 3.27Å; F7-Q9 PolarHBondContact O-N 3.22Å
10R93.9Very high85.2Confident150 Ų15087.9 Ų87.957%0.56642%0.416SS*.Hα-helixtrans-96.7-32.6-175.8-70.6179-179.9-1730.6113.3L6 F7 L52L6-R10 WeakPolarHBondContact O-CB 3.26Å; L6-R10 VanDerWaalsContact O-CG 3.26Å; L6-R10 WeakPolarHBondContact O-CG 3.41Å; L6-R10 PolarHBondContact O-N 3.3Å; F7-R10 PolarHBondContact O-N 2.9Å; F7-R10 VanDerWaalsContact O-N 3.12Å; R10-L52 HydrophobicContact CB-CD1 4.35Å; R10-L52 HydrophobicContact CB-CD2 3.56Å; R10-L52 HydrophobicContact CG-CD2 4.36Å
11I95.9Very high85.7Confident33 Ų3383.9 Ų83.917%0.16940%0.398CS..  trans-61.7145.4176.1-166.8162.1000110.3F7 H15 L16 L49 L52 F74F7-I11 HydrophobicContact CE1-CD1 4.02Å; F7-I11 HydrophobicContact CE1-CG2 4.41Å; F7-I11 HydrophobicContact CE2-CB 4.44Å; F7-I11 HydrophobicContact CE2-CD1 4.01Å; F7-I11 HydrophobicContact CZ-CB 4.33Å; F7-I11 HydrophobicContact CZ-CD1 3.4Å; F7-I11 VanDerWaalsContact CZ-CD1 3.4Å; F7-I11 HydrophobicContact CZ-CG1 4.43Å; F7-I11 WeakPolarHBondContact O-CG2 3.25Å; F7-I11 PolarHBondContact O-N 3.12Å; I11-H15 HydrophobicContact CG1-CB 4.28Å; I11-L16 HydrophobicContact CD1-CD2 3.74Å; I11-L16 HydrophobicContact CD1-CG 4.42Å; I11-L49 HydrophobicContact CD1-CD1 3.72Å; I11-L49 HydrophobicContact CG1-CD1 4.42Å; I11-L52 HydrophobicContact CB-CD1 4.44Å; I11-F74 HydrophobicContact CD1-CZ 3.96Å
12R96.5Very high88.1Confident159 Ų15973.3 Ų73.360%0.635%0.346SS*.  trans-133.7153.5-176.3-55.2-63.5-173.3172.12108.9R14 H15R12-R14 HydrophobicContact CB-CG 4.15Å; R12-R14 PolarHBondContact O-N 3.4Å; R12-R14 VanDerWaalsContact O-N 3.17Å; R12-H15 WeakPolarHBondContact CB-ND1 3.45Å; R12-H15 PolarHBondContact N-ND1 3.3Å; R12-H15 VanDerWaalsContact O-CB 3.3Å; R12-H15 WeakPolarHBondContact O-CB 3.41Å; R12-H15 PolarHBondContact O-N 3.46Å; R12-H15 PolarHBondContact O-ND1 3.01Å; R12-H15 VanDerWaalsContact O-ND1 3.15Å
13L95.8Very high90Very high78 Ų7866.7 Ų66.741%0.40832%0.318SS..Hα-helixtrans-56.7-34.2-179.4-61.7-177.9000113.5H15 L16 H17 I85L13-H15 PolarHBondContact O-N 2.95Å; L13-L16 HydrophobicContact CD2-CD1 4.37Å; L13-L16 PolarHBondContact O-N 3.35Å; L13-L16 VanDerWaalsContact O-N 3.08Å; L13-H17 PolarHBondContact O-N 3.19Å; L13-H17 PolarHBondContact O-ND1 3.31Å; L13-I85 HydrophobicContact CD1-CD1 3.83Å; L13-I85 HydrophobicContact CD2-CD1 3.2Å; L13-I85 HydrophobicContact CG-CD1 4.14Å
14R96.8Very high91.6Very high137 Ų13760.9 Ų60.952%0.51729%0.294SS..Hα-helixtrans-56.2-33.2175.172.7179.3-172.6-164.76.5113.2R12 T18 T45 E48R12-R14 HydrophobicContact CB-CG 4.15Å; R12-R14 PolarHBondContact O-N 3.4Å; R12-R14 VanDerWaalsContact O-N 3.17Å; R14-T18 VanDerWaalsContact O-CB 3.24Å; R14-T18 WeakPolarHBondContact O-CB 3.49Å; R14-T18 PolarHBondContact O-N 3.28Å; R14-T18 PolarHBondContact O-OG1 2.67Å; R14-T45 HydrophobicContact CG-CG2 4.07Å; R14-E48 IonicContact CZ-OE2 3.72Å; R14-E48 IonicContact NH2-OE2 2.92Å; R14-E48 PolarHBondContact NH2-OE2 3.42Å
15H98.2Very high93.3Very high6 Ų656.7 Ų56.73%0.02827%0.27CS..Hα-helixtrans-68.6-43.7178-56.6109.2000110.4I11 R12 L13 T18 F19 T45 E48 L49I11-H15 HydrophobicContact CG1-CB 4.28Å; R12-H15 WeakPolarHBondContact CB-ND1 3.45Å; R12-H15 PolarHBondContact N-ND1 3.3Å; R12-H15 VanDerWaalsContact O-CB 3.3Å; R12-H15 WeakPolarHBondContact O-CB 3.41Å; R12-H15 PolarHBondContact O-N 3.46Å; R12-H15 PolarHBondContact O-ND1 3.01Å; R12-H15 VanDerWaalsContact O-ND1 3.15Å; L13-H15 PolarHBondContact O-N 2.95Å; H15-T18 PolarHBondContact O-N 3.06Å; H15-F19 VanDerWaalsContact O-CB 3.24Å; H15-F19 WeakPolarHBondContact O-CB 3.29Å; H15-F19 PolarHBondContact O-N 2.67Å; H15-T45 PolarHBondContact CD2-O 3.46Å; H15-E48 IonicContact NE2-OE2 2.67Å; H15-E48 PolarHBondContact NE2-OE2 2.96Å; H15-L49 HydrophobicContact CB-CB 4.16Å; H15-L49 HydrophobicContact CB-CD1 4.06Å; H15-L49 HydrophobicContact CB-CD2 4.43Å; H15-L49 HydrophobicContact CB-CG 4.44Å
16L97.6Very high94.5Very high10 Ų1055.1 Ų55.15%0.05226%0.264CS..Hα-helixtrans-65.7-46.2177.5-58.3-175.2000111.4I11 L13 T18 F19 V20 F74 A78 V81 L82I11-L16 HydrophobicContact CD1-CD2 3.74Å; I11-L16 HydrophobicContact CD1-CG 4.42Å; L13-L16 HydrophobicContact CD2-CD1 4.37Å; L13-L16 PolarHBondContact O-N 3.35Å; L13-L16 VanDerWaalsContact O-N 3.08Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 3.44Å; L16-F19 PolarHBondContact O-N 2.9Å; L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 WeakPolarHBondContact O-CG2 3.31Å; L16-V20 PolarHBondContact O-N 3.17Å; L16-F74 HydrophobicContact CD2-CE1 3.92Å; L16-F74 HydrophobicContact CD2-CZ 3.82Å; L16-A78 HydrophobicContact CD2-CB 3.89Å; L16-V81 HydrophobicContact CD1-CB 3.84Å; L16-V81 HydrophobicContact CD1-CG1 3.51Å; L16-L82 HydrophobicContact CB-CD1 4.25Å; L16-L82 HydrophobicContact CB-CD2 3.89Å; L16-L82 HydrophobicContact CB-CG 4.1Å; L16-L82 HydrophobicContact CD1-CD2 4.39Å
17H96.7Very high95.1Very high81 Ų8153.8 Ų53.838%0.37526%0.259SS..Hα-helixtrans-60.2-44.4176.1-71.587.2000111.7L13 A21 L82L13-H17 PolarHBondContact O-N 3.19Å; L13-H17 PolarHBondContact O-ND1 3.31Å; H17-A21 WeakPolarHBondContact O-CB 3.47Å; H17-A21 PolarHBondContact O-N 3.3Å; H17-L82 WeakPolarHBondContact CE1-CD2 3.29Å
18T97.8Very high95.4Very high3 Ų352.2 Ų52.22%0.01825%0.253CS..Hα-helixtrans-59.5-49.8176.1-65.50000111.1R14 H15 L16 A21 V22 L42 T45 L46R14-T18 VanDerWaalsContact O-CB 3.24Å; R14-T18 WeakPolarHBondContact O-CB 3.49Å; R14-T18 PolarHBondContact O-N 3.28Å; R14-T18 PolarHBondContact O-OG1 2.67Å; H15-T18 PolarHBondContact O-N 3.06Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 3.44Å; T18-A21 PolarHBondContact O-N 2.91Å; T18-V22 VanDerWaalsContact O-CG2 3.29Å; T18-V22 WeakPolarHBondContact O-CG2 3.48Å; T18-V22 PolarHBondContact O-N 2.98Å; T18-L42 HydrophobicContact CG2-CD1 4.47Å; T18-L42 HydrophobicContact CG2-CD2 4.1Å; T18-L42 HydrophobicContact CG2-CG 3.78Å; T18-T45 HydrophobicContact CG2-CG2 4.26Å; T18-T45 WeakPolarHBondContact OG1-CG2 3.44Å; T18-L46 HydrophobicContact CG2-CB 4.08Å
19F98.1Very high95.7Very high0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-61.6-49.3-178.5173.4-97.1000112.2H15 L16 V22 A23 L46 L49 L57 F58 L67 G71 F74 L75 A78H15-F19 VanDerWaalsContact O-CB 3.24Å; H15-F19 WeakPolarHBondContact O-CB 3.29Å; H15-F19 PolarHBondContact O-N 2.67Å; L16-F19 PolarHBondContact O-N 2.9Å; F19-V22 PolarHBondContact O-N 3.42Å; F19-A23 PolarHBondContact O-N 2.78Å; F19-L46 HydrophobicContact CD2-CD1 4.26Å; F19-L49 HydrophobicContact CB-CD2 3.52Å; F19-L49 HydrophobicContact CD2-CD2 3.99Å; F19-L49 HydrophobicContact CG-CD2 3.88Å; F19-L57 HydrophobicContact CD2-CB 4.25Å; F19-L57 HydrophobicContact CD2-CD1 3.8Å; F19-L57 HydrophobicContact CE2-CB 3.71Å; F19-L57 HydrophobicContact CE2-CD1 3.85Å; F19-L57 HydrophobicContact CE2-CG 4.36Å; F19-F58 HydrophobicContact CD2-CD2 4.26Å; F19-F58 AromaticContact CD2-CE2 3.38Å; F19-F58 HydrophobicContact CD2-CE2 3.38Å; F19-F58 AromaticContact CD2-CZ 3.96Å; F19-F58 HydrophobicContact CD2-CZ 3.96Å; F19-F58 HydrophobicContact CE2-CD2 4.13Å; F19-F58 AromaticContact CE2-CE2 3.38Å; F19-F58 HydrophobicContact CE2-CE2 3.38Å; F19-F58 AromaticContact CE2-CZ 3.7Å; F19-F58 HydrophobicContact CE2-CZ 3.7Å; F19-F58 HydrophobicContact CG-CE2 4.42Å; F19-F58 HydrophobicContact CZ-CE2 4.46Å; F19-F58 HydrophobicContact CZ-CZ 4.39Å; F19-L67 HydrophobicContact CE2-CD2 3.79Å; F19-L67 HydrophobicContact CZ-CD2 3.55Å; F19-G71 WeakPolarHBondContact CZ-O 3.42Å; F19-F74 AromaticContact CD1-CD1 3.86Å; F19-F74 HydrophobicContact CD1-CD1 3.86Å; F19-F74 HydrophobicContact CD1-CE1 4.12Å; F19-F74 HydrophobicContact CD2-CD1 4.41Å; F19-F74 AromaticContact CE1-CD1 3.78Å; F19-F74 HydrophobicContact CE1-CD1 3.78Å; F19-F74 HydrophobicContact CE1-CE1 4.48Å; F19-F74 HydrophobicContact CE2-CD1 4.35Å; F19-F74 HydrophobicContact CG-CD1 4.2Å; F19-F74 HydrophobicContact CG-CE1 4.3Å; F19-F74 HydrophobicContact CZ-CD1 4.03Å; F19-L75 HydrophobicContact CD1-CD1 4.32Å; F19-L75 HydrophobicContact CE1-CB 3.7Å; F19-L75 HydrophobicContact CE1-CD1 3.65Å; F19-L75 HydrophobicContact CE1-CG 4.3Å; F19-L75 HydrophobicContact CZ-CB 4.03Å; F19-L75 HydrophobicContact CZ-CD1 4.45Å; F19-A78 HydrophobicContact CD1-CB 4.01Å; F19-A78 HydrophobicContact CE1-CB 4.32Å
20V97.1Very high96Very high8 Ų850 Ų505%0.04823%0.234CC..Hα-helixtrans-64.2-42178.7173.10000111L16 V22 A23 Q24 L75 A78 V79 L82L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 WeakPolarHBondContact O-CG2 3.31Å; L16-V20 PolarHBondContact O-N 3.17Å; V20-V22 VanDerWaalsContact C-N 3.32Å; V20-V22 PolarHBondContact O-N 3.35Å; V20-A23 WeakPolarHBondContact O-CB 3.27Å; V20-A23 PolarHBondContact O-N 2.91Å; V20-A23 VanDerWaalsContact O-N 3.15Å; V20-Q24 HydrophobicContact CG1-CG 4.23Å; V20-Q24 WeakPolarHBondContact O-CB 3.45Å; V20-Q24 VanDerWaalsContact O-CG 3.28Å; V20-Q24 WeakPolarHBondContact O-CG 3.44Å; V20-Q24 PolarHBondContact O-N 3.28Å; V20-L75 HydrophobicContact CG2-CD1 4Å; V20-A78 HydrophobicContact CG2-CB 4.11Å; V20-V79 HydrophobicContact CG1-CG2 4.3Å; V20-V79 HydrophobicContact CG2-CG2 3.85Å; V20-L82 HydrophobicContact CB-CD1 4.2Å; V20-L82 HydrophobicContact CG2-CD1 3.83Å
21A96.5Very high96.1Very high3 Ų342.9 Ų42.93%0.02521%0.207CC..Hα-helixtrans-61.9-38.7176.900000112.5H17 T18 Q24 Q25 A31 L35H17-A21 WeakPolarHBondContact O-CB 3.47Å; H17-A21 PolarHBondContact O-N 3.3Å; T18-A21 PolarHBondContact O-N 2.91Å; A21-Q24 PolarHBondContact O-N 3.17Å; A21-Q25 WeakPolarHBondContact O-CB 3.27Å; A21-Q25 VanDerWaalsContact O-CG 3.29Å; A21-Q25 WeakPolarHBondContact O-CG 3.4Å; A21-Q25 PolarHBondContact O-N 2.93Å; A21-A31 HydrophobicContact CB-CB 4.16Å; A21-L35 HydrophobicContact CB-CD1 3.72Å; A21-L35 HydrophobicContact CB-CD2 4.18Å; A21-L35 HydrophobicContact CB-CG 3.91Å
22V97.2Very high96.2Very high0 Ų041.5 Ų41.50%020%0.2CC..Hα-helixtrans-66.8-40.8174.81770000111T18 F19 V20 Q24 G26 L28 A31 L42 L46 F58 A65T18-V22 VanDerWaalsContact O-CG2 3.29Å; T18-V22 WeakPolarHBondContact O-CG2 3.48Å; T18-V22 PolarHBondContact O-N 2.98Å; F19-V22 PolarHBondContact O-N 3.42Å; V20-V22 VanDerWaalsContact C-N 3.32Å; V20-V22 PolarHBondContact O-N 3.35Å; V22-Q24 VanDerWaalsContact C-N 3.33Å; V22-Q24 PolarHBondContact O-N 3Å; V22-G26 WeakPolarHBondContact O-CA 3.39Å; V22-G26 PolarHBondContact O-N 3.44Å; V22-L28 HydrophobicContact CG1-CD1 4.01Å; V22-L28 HydrophobicContact CG2-CG 4.49Å; V22-A31 HydrophobicContact CB-CB 4.41Å; V22-A31 HydrophobicContact CG2-CB 3.73Å; V22-L42 HydrophobicContact CG2-CD1 4.44Å; V22-L42 HydrophobicContact CG2-CD2 3.73Å; V22-L46 HydrophobicContact CG2-CD2 4.41Å; V22-F58 HydrophobicContact CB-CE1 4.4Å; V22-F58 HydrophobicContact CB-CE2 3.95Å; V22-F58 HydrophobicContact CB-CZ 3.74Å; V22-F58 HydrophobicContact CG1-CD1 4.17Å; V22-F58 HydrophobicContact CG1-CD2 4.2Å; V22-F58 HydrophobicContact CG1-CE1 3.74Å; V22-F58 HydrophobicContact CG1-CE2 3.74Å; V22-F58 HydrophobicContact CG1-CG 4.39Å; V22-F58 HydrophobicContact CG1-CZ 3.51Å; V22-A65 HydrophobicContact CG1-CB 3.69Å
23A95.6Very high96.3Very high23 Ų2340.6 Ų40.619%0.1920%0.203CC..Hα-helixtrans-62.6-39.4175.800000112.3F19 V20 F58 L67 L75 T148F19-A23 PolarHBondContact O-N 2.78Å; V20-A23 WeakPolarHBondContact O-CB 3.27Å; V20-A23 PolarHBondContact O-N 2.91Å; V20-A23 VanDerWaalsContact O-N 3.15Å; A23-F58 HydrophobicContact CB-CE1 4.36Å; A23-F58 HydrophobicContact CB-CZ 4.08Å; A23-L67 HydrophobicContact CB-CD1 4.23Å; A23-L67 HydrophobicContact CB-CD2 4.45Å; A23-L75 HydrophobicContact CB-CD1 4Å; A23-L75 HydrophobicContact CB-CD2 4.33Å; A23-T148 HydrophobicContact CB-CG2 4.35Å
24Q93.8Very high96.3Very high61 Ų6140.5 Ų40.529%0.28521%0.205SC..Hα-helixtrans-70.2-45.2177.8-72.7170.7-19.400112.6V20 A21 V22 T148 E150V20-Q24 HydrophobicContact CG1-CG 4.23Å; V20-Q24 WeakPolarHBondContact O-CB 3.45Å; V20-Q24 VanDerWaalsContact O-CG 3.28Å; V20-Q24 WeakPolarHBondContact O-CG 3.44Å; V20-Q24 PolarHBondContact O-N 3.28Å; A21-Q24 PolarHBondContact O-N 3.17Å; V22-Q24 VanDerWaalsContact C-N 3.33Å; V22-Q24 PolarHBondContact O-N 3Å; Q24-T148 HydrophobicContact CG-CG2 3.76Å; Q24-T148 PolarHBondContact NE2-O 2.83Å; Q24-E150 WeakPolarHBondContact CB-OE1 3.22Å; Q24-E150 HydrophobicContact CG-CG 4.03Å; Q24-E150 WeakPolarHBondContact CG-OE1 3.47Å
25Q94.4Very high96.2Very high40 Ų4036.5 Ų36.519%0.18719%0.194CC..Hα-helixtrans-89.4-14.1-171.9-61.2-54.1-43.500114.2A21 T27 R30 A31A21-Q25 WeakPolarHBondContact O-CB 3.27Å; A21-Q25 VanDerWaalsContact O-CG 3.29Å; A21-Q25 WeakPolarHBondContact O-CG 3.4Å; A21-Q25 PolarHBondContact O-N 2.93Å; Q25-T27 PolarHBondContact O-N 3.5Å; Q25-R30 HydrophobicContact CB-CB 3.8Å; Q25-R30 HydrophobicContact CG-CB 4.3Å; Q25-A31 HydrophobicContact CB-CB 4.23Å; Q25-A31 HydrophobicContact CG-CB 4.36Å
26G92.9Very high96.2Very high27 Ų2743.4 Ų43.428%0.27823%0.231SC..SBendtrans68.6-5.5-179.500000115.1V22 G64 A65V22-G26 WeakPolarHBondContact O-CA 3.39Å; V22-G26 PolarHBondContact O-N 3.44Å; G26-G64 WeakPolarHBondContact O-CA 3.38Å; G26-A65 PolarHBondContact O-N 3.49Å
27T94.9Very high96.2Very high49 Ų4946.6 Ų46.630%0.30125%0.248SC..SBendtrans-143.2148177.669.10000111.2Q25 G29 R30 A31Q25-T27 PolarHBondContact O-N 3.5Å; T27-G29 VanDerWaalsContact C-N 3.31Å; T27-G29 PolarHBondContact O-N 3.44Å; T27-R30 WeakPolarHBondContact OG1-CB 3.47Å; T27-R30 WeakPolarHBondContact OG1-CG 3.37Å; T27-R30 PolarHBondContact OG1-N 3.44Å; T27-A31 VanDerWaalsContact O-CB 3.3Å; T27-A31 WeakPolarHBondContact O-CB 3.39Å; T27-A31 PolarHBondContact O-N 2.87Å; T27-A31 VanDerWaalsContact O-N 3.1Å
28L94.9Very high96.2Very high21 Ų2146 Ų4611%0.1125%0.252CS..Hα-helixtrans-66-33.8177.2-8367.9000112.1V22 A32 Q39 L42 A65V22-L28 HydrophobicContact CG1-CD1 4.01Å; V22-L28 HydrophobicContact CG2-CG 4.49Å; L28-A32 VanDerWaalsContact O-CB 3.23Å; L28-A32 WeakPolarHBondContact O-CB 3.41Å; L28-A32 PolarHBondContact O-N 2.91Å; L28-Q39 HydrophobicContact CB-CG 4.23Å; L28-L42 HydrophobicContact CB-CD2 4.08Å; L28-L42 HydrophobicContact CD2-CD2 4.25Å; L28-L42 HydrophobicContact CG-CD2 3.78Å; L28-A65 HydrophobicContact CD1-CB 3.86Å
29G95.5Very high96.2Very high21 Ų2151 Ų5122%0.21628%0.276CS..Hα-helixtrans-63.1-55.1178.900000111.8T27 A31 A32 E33T27-G29 VanDerWaalsContact C-N 3.31Å; T27-G29 PolarHBondContact O-N 3.44Å; G29-A31 VanDerWaalsContact C-N 3.32Å; G29-A31 PolarHBondContact O-N 2.89Å; G29-A32 WeakPolarHBondContact O-CB 3.47Å; G29-A32 PolarHBondContact O-N 2.93Å; G29-E33 PolarHBondContact O-N 3.27Å
30R95.9Very high96.1Very high141 Ų14155.7 Ų55.753%0.53231%0.306SS..Hα-helixtrans-63.6-36.7178.4-68.517760.2164.2-1.2112.8Q25 T27 A32 E33 T34Q25-R30 HydrophobicContact CB-CB 3.8Å; Q25-R30 HydrophobicContact CG-CB 4.3Å; T27-R30 WeakPolarHBondContact OG1-CB 3.47Å; T27-R30 WeakPolarHBondContact OG1-CG 3.37Å; T27-R30 PolarHBondContact OG1-N 3.44Å; R30-A32 VanDerWaalsContact C-N 3.31Å; R30-E33 PolarHBondContact O-N 3.38Å; R30-T34 WeakPolarHBondContact O-CB 3.41Å; R30-T34 PolarHBondContact O-N 3.36Å; R30-T34 PolarHBondContact O-OG1 3.07Å
31A96.8Very high96.2Very high0 Ų057.1 Ų57.10%032%0.319CS..Hα-helixtrans-64.6-37.2173.800000111.8A21 V22 Q25 T27 G29 T34 L35 L42A21-A31 HydrophobicContact CB-CB 4.16Å; V22-A31 HydrophobicContact CB-CB 4.41Å; V22-A31 HydrophobicContact CG2-CB 3.73Å; Q25-A31 HydrophobicContact CB-CB 4.23Å; Q25-A31 HydrophobicContact CG-CB 4.36Å; T27-A31 VanDerWaalsContact O-CB 3.3Å; T27-A31 WeakPolarHBondContact O-CB 3.39Å; T27-A31 PolarHBondContact O-N 2.87Å; T27-A31 VanDerWaalsContact O-N 3.1Å; G29-A31 VanDerWaalsContact C-N 3.32Å; G29-A31 PolarHBondContact O-N 2.89Å; A31-T34 PolarHBondContact O-N 3.2Å; A31-L35 WeakPolarHBondContact O-CB 3.42Å; A31-L35 WeakPolarHBondContact O-CG 3.3Å; A31-L35 PolarHBondContact O-N 3.29Å; A31-L42 VanDerWaalsContact C-CD1 3.45Å; A31-L42 HydrophobicContact CB-CD1 3.67Å
32A97.2Very high96.2Very high3 Ų357 Ų573%0.02532%0.317CS..Hα-helixtrans-68.5-43.5178.500000110.9L28 G29 R30 T34 L35 N36 L37 Q39 L42L28-A32 VanDerWaalsContact O-CB 3.23Å; L28-A32 WeakPolarHBondContact O-CB 3.41Å; L28-A32 PolarHBondContact O-N 2.91Å; G29-A32 WeakPolarHBondContact O-CB 3.47Å; G29-A32 PolarHBondContact O-N 2.93Å; R30-A32 VanDerWaalsContact C-N 3.31Å; A32-T34 PolarHBondContact O-N 3.1Å; A32-L35 CarbonylContact O-C 3.56Å; A32-L35 PolarHBondContact O-N 3.48Å; A32-N36 PolarHBondContact O-N 3.41Å; A32-L37 CarbonylContact C-O 3.56Å; A32-L37 WeakPolarHBondContact CB-O 3.32Å; A32-L37 PolarHBondContact O-N 2.86Å; A32-Q39 HydrophobicContact CB-CB 4.29Å; A32-L42 VanDerWaalsContact CA-CD1 3.49Å; A32-L42 HydrophobicContact CB-CB 4.16Å; A32-L42 HydrophobicContact CB-CD1 3.88Å; A32-L42 VanDerWaalsContact N-CD1 3.31Å
33E97.5Very high96.2Very high141 Ų14158.4 Ų58.466%0.65933%0.328SS*.Hα-helixtrans-58.4-47.3172.5-69.9169.8-174.600111.5G29 R30 L35 N36G29-E33 PolarHBondContact O-N 3.27Å; R30-E33 PolarHBondContact O-N 3.38Å; E33-L35 VanDerWaalsContact C-N 3.26Å; E33-L35 PolarHBondContact O-N 3.44Å; E33-N36 PolarHBondContact O-N 3.22Å
34T95.9Very high96.3Very high75 Ų7563.7 Ų63.746%0.4635%0.346SS..Hα-helixtrans-60.8-36.4179.7-59.80000112R30 A31 A32R30-T34 WeakPolarHBondContact O-CB 3.41Å; R30-T34 PolarHBondContact O-N 3.36Å; R30-T34 PolarHBondContact O-OG1 3.07Å; A31-T34 PolarHBondContact O-N 3.2Å; A32-T34 PolarHBondContact O-N 3.1Å
35L96.4Very high96.5Very high53 Ų5361.6 Ų61.628%0.27734%0.338SS..THydrogen-bonded Turntrans-90.12.5178.1-64.1-178.5000113.7A21 A31 A32 E33 L37 L42A21-L35 HydrophobicContact CB-CD1 3.72Å; A21-L35 HydrophobicContact CB-CD2 4.18Å; A21-L35 HydrophobicContact CB-CG 3.91Å; A31-L35 WeakPolarHBondContact O-CB 3.42Å; A31-L35 WeakPolarHBondContact O-CG 3.3Å; A31-L35 PolarHBondContact O-N 3.29Å; A32-L35 CarbonylContact O-C 3.56Å; A32-L35 PolarHBondContact O-N 3.48Å; E33-L35 VanDerWaalsContact C-N 3.26Å; E33-L35 PolarHBondContact O-N 3.44Å; L35-L37 VanDerWaalsContact C-N 3.27Å; L35-L37 HydrophobicContact CB-CD1 3.99Å; L35-L37 HydrophobicContact CB-CG 4.04Å; L35-L37 HydrophobicContact CD1-CD1 4.38Å; L35-L37 PolarHBondContact O-N 3.32Å; L35-L42 HydrophobicContact CD1-CD1 4.23Å
36N97.4Very high96.7Very high152 Ų15259.7 Ų59.781%0.81333%0.329SS*.THydrogen-bonded Turntrans51.743.6-172.8-61.2-67.6000113.1A32 E33A32-N36 PolarHBondContact O-N 3.41Å; E33-N36 PolarHBondContact O-N 3.22Å
37L97.1Very high96.9Very high76 Ų7661.6 Ų61.640%0.39833%0.333SS..  trans-116.5158.4178.5-64.5177.8000110.8A32 L35A32-L37 CarbonylContact C-O 3.56Å; A32-L37 WeakPolarHBondContact CB-O 3.32Å; A32-L37 PolarHBondContact O-N 2.86Å; L35-L37 VanDerWaalsContact C-N 3.27Å; L35-L37 HydrophobicContact CB-CD1 3.99Å; L35-L37 HydrophobicContact CB-CG 4.04Å; L35-L37 HydrophobicContact CD1-CD1 4.38Å; L35-L37 PolarHBondContact O-N 3.32Å
38S97.8Very high97Very high68 Ų6861.6 Ų61.648%0.47633%0.329SS..  trans-71.9143.5163.572.30000109.9P40 A41 L42S38-P40 VanDerWaalsContact C-CD 3.47Å; S38-P40 VanDerWaalsContact C-N 3.3Å; S38-A41 WeakPolarHBondContact O-CB 3.21Å; S38-A41 PolarHBondContact O-N 3.39Å; S38-A41 WeakPolarHBondContact OG-CB 3.44Å; S38-A41 PolarHBondContact OG-N 2.82Å; S38-L42 PolarHBondContact O-N 3.13Å
39Q96.6Very high97.1Very high109 Ų10960.6 Ų60.651%0.50932%0.324SS..Hα-helixtrans-54.3-38.8176.4-176.2-179.1-23.700113.2L28 A32 A41 L42 S43L28-Q39 HydrophobicContact CB-CG 4.23Å; A32-Q39 HydrophobicContact CB-CB 4.29Å; Q39-A41 PolarHBondContact O-N 3.32Å; Q39-L42 PolarHBondContact O-N 3.42Å; Q39-S43 WeakPolarHBondContact O-CB 3.46Å; Q39-S43 PolarHBondContact O-N 3.08Å
40P97.6Very high97.2Very high98 Ų9860.9 Ų60.964%0.63632%0.32SS*.Hα-helixtrans-61.4-39.7172.8-25.836.1000114S38 S43 K44S38-P40 VanDerWaalsContact C-CD 3.47Å; S38-P40 VanDerWaalsContact C-N 3.3Å; P40-S43 PolarHBondContact O-N 3.15Å; P40-K44 WeakPolarHBondContact O-CB 3.37Å; P40-K44 PolarHBondContact O-N 2.93Å
41A97.8Very high97.2Very high38 Ų3861.6 Ų61.631%0.31433%0.329SS..Hα-helixtrans-67.2-40.4178.200000112S38 Q39 T45S38-A41 WeakPolarHBondContact O-CB 3.21Å; S38-A41 PolarHBondContact O-N 3.39Å; S38-A41 WeakPolarHBondContact OG-CB 3.44Å; S38-A41 PolarHBondContact OG-N 2.82Å; Q39-A41 PolarHBondContact O-N 3.32Å; A41-T45 PolarHBondContact O-N 3.22Å; A41-T45 VanDerWaalsContact O-N 3.09Å; A41-T45 PolarHBondContact O-OG1 2.82Å
42L97.4Very high97.2Very high0 Ų063.8 Ų63.80%034%0.341CS..Hα-helixtrans-63.1-49.2173.6-175.7150000111.1T18 V22 L28 A31 A32 L35 S38 Q39 K44 T45 L46T18-L42 HydrophobicContact CG2-CD1 4.47Å; T18-L42 HydrophobicContact CG2-CD2 4.1Å; T18-L42 HydrophobicContact CG2-CG 3.78Å; V22-L42 HydrophobicContact CG2-CD1 4.44Å; V22-L42 HydrophobicContact CG2-CD2 3.73Å; L28-L42 HydrophobicContact CB-CD2 4.08Å; L28-L42 HydrophobicContact CD2-CD2 4.25Å; L28-L42 HydrophobicContact CG-CD2 3.78Å; A31-L42 VanDerWaalsContact C-CD1 3.45Å; A31-L42 HydrophobicContact CB-CD1 3.67Å; A32-L42 VanDerWaalsContact CA-CD1 3.49Å; A32-L42 HydrophobicContact CB-CB 4.16Å; A32-L42 HydrophobicContact CB-CD1 3.88Å; A32-L42 VanDerWaalsContact N-CD1 3.31Å; L35-L42 HydrophobicContact CD1-CD1 4.23Å; S38-L42 PolarHBondContact O-N 3.13Å; Q39-L42 PolarHBondContact O-N 3.42Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.2Å; L42-T45 PolarHBondContact O-N 3.22Å; L42-T45 VanDerWaalsContact O-N 3.13Å; L42-L46 PolarHBondContact O-N 3.28Å
43S96.7Very high97Very high31 Ų3165.6 Ų65.622%0.21735%0.352CS..Hα-helixtrans-58.9-42.1179.1-1740000111.9Q39 P40 L46 N47Q39-S43 WeakPolarHBondContact O-CB 3.46Å; Q39-S43 PolarHBondContact O-N 3.08Å; P40-S43 PolarHBondContact O-N 3.15Å; S43-L46 PolarHBondContact O-N 3.1Å; S43-N47 WeakPolarHBondContact O-CB 3.41Å; S43-N47 PolarHBondContact O-N 3.11Å; S43-N47 PolarHBondContact O-ND2 3.21Å; S43-N47 PolarHBondContact O-OD1 3.44Å
44K97.8Very high96.9Very high133 Ų13362.3 Ų62.358%0.57836%0.356SS*.Hα-helixtrans-59.2-47.7174.4-177.2179.5177-179.30111.6P40 L42 L46 N47 E48P40-K44 WeakPolarHBondContact O-CB 3.37Å; P40-K44 PolarHBondContact O-N 2.93Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.2Å; K44-L46 VanDerWaalsContact C-N 3.32Å; K44-L46 PolarHBondContact O-N 3.17Å; K44-N47 PolarHBondContact O-N 3.29Å; K44-E48 VanDerWaalsContact CE-OE1 3.27Å; K44-E48 WeakPolarHBondContact CE-OE1 3.2Å; K44-E48 WeakPolarHBondContact O-CG 3.48Å; K44-E48 PolarHBondContact O-N 3.18Å
45T97.9Very high96.9Very high18 Ų1860.3 Ų60.311%0.1135%0.346CS..Hα-helixtrans-63.1-38.9178.8-55.80000111.7R14 H15 T18 A41 L42 E48 L49R14-T45 HydrophobicContact CG-CG2 4.07Å; H15-T45 PolarHBondContact CD2-O 3.46Å; T18-T45 HydrophobicContact CG2-CG2 4.26Å; T18-T45 WeakPolarHBondContact OG1-CG2 3.44Å; A41-T45 PolarHBondContact O-N 3.22Å; A41-T45 VanDerWaalsContact O-N 3.09Å; A41-T45 PolarHBondContact O-OG1 2.82Å; L42-T45 PolarHBondContact O-N 3.22Å; L42-T45 VanDerWaalsContact O-N 3.13Å; T45-E48 PolarHBondContact O-N 3.37Å; T45-L49 PolarHBondContact O-N 2.95Å; T45-L49 VanDerWaalsContact O-N 3.1Å
46L97.6Very high96.9Very high0 Ų067.4 Ų67.40%037%0.369CS..Hα-helixtrans-66.8-42.3176.2-174.160.5000111.8T18 F19 V22 L42 S43 K44 E48 L49 E50 F58T18-L46 HydrophobicContact CG2-CB 4.08Å; F19-L46 HydrophobicContact CD2-CD1 4.26Å; V22-L46 HydrophobicContact CG2-CD2 4.41Å; L42-L46 PolarHBondContact O-N 3.28Å; S43-L46 PolarHBondContact O-N 3.1Å; K44-L46 VanDerWaalsContact C-N 3.32Å; K44-L46 PolarHBondContact O-N 3.17Å; L46-E48 PolarHBondContact O-N 3.21Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 3.31Å; L46-E50 PolarHBondContact O-N 3.28Å; L46-F58 HydrophobicContact CD1-CD2 3.95Å; L46-F58 HydrophobicContact CD1-CE2 3.89Å; L46-F58 HydrophobicContact CD2-CD2 3.91Å; L46-F58 HydrophobicContact CD2-CE2 4.29Å; L46-F58 HydrophobicContact CG-CD2 4.45Å
47N97.3Very high97Very high66 Ų6660.3 Ų60.335%0.35333%0.331SS..Hα-helixtrans-64.8-38.6175.9-66.4-10.7000111.8S43 K44 L49 E50 Q51 R60S43-N47 WeakPolarHBondContact O-CB 3.41Å; S43-N47 PolarHBondContact O-N 3.11Å; S43-N47 PolarHBondContact O-ND2 3.21Å; S43-N47 PolarHBondContact O-OD1 3.44Å; K44-N47 PolarHBondContact O-N 3.29Å; N47-L49 VanDerWaalsContact C-N 3.28Å; N47-L49 PolarHBondContact O-N 3.49Å; N47-E50 PolarHBondContact O-N 3.48Å; N47-Q51 WeakPolarHBondContact O-CB 3.39Å; N47-Q51 VanDerWaalsContact O-CG 3.31Å; N47-Q51 WeakPolarHBondContact O-CG 3.39Å; N47-Q51 PolarHBondContact O-N 3.18Å; N47-R60 PolarHBondContact OD1-NH1 2.94Å; N47-R60 PolarHBondContact OD1-NH2 2.95Å
48E97.6Very high97Very high49 Ų4957 Ų5723%0.22931%0.314CS..Hα-helixtrans-57.9-42.3172.2-75.9173.3-166.200110.7R14 H15 K44 T45 L46 Q51 L52R14-E48 IonicContact CZ-OE2 3.72Å; R14-E48 IonicContact NH2-OE2 2.92Å; R14-E48 PolarHBondContact NH2-OE2 3.42Å; H15-E48 IonicContact NE2-OE2 2.67Å; H15-E48 PolarHBondContact NE2-OE2 2.96Å; K44-E48 VanDerWaalsContact CE-OE1 3.27Å; K44-E48 WeakPolarHBondContact CE-OE1 3.2Å; K44-E48 WeakPolarHBondContact O-CG 3.48Å; K44-E48 PolarHBondContact O-N 3.18Å; T45-E48 PolarHBondContact O-N 3.37Å; L46-E48 PolarHBondContact O-N 3.21Å; E48-Q51 PolarHBondContact O-N 2.92Å; E48-L52 VanDerWaalsContact O-CG 3.29Å; E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 3.41Å
49L97.7Very high96.8Very high1 Ų159.9 Ų59.91%0.00532%0.32CS..Hα-helixtrans-64-48.3176.1178.261.6000112.4I11 H15 F19 T45 L46 N47 Q51 L52 T53 L57 F74I11-L49 HydrophobicContact CD1-CD1 3.72Å; I11-L49 HydrophobicContact CG1-CD1 4.42Å; H15-L49 HydrophobicContact CB-CB 4.16Å; H15-L49 HydrophobicContact CB-CD1 4.06Å; H15-L49 HydrophobicContact CB-CD2 4.43Å; H15-L49 HydrophobicContact CB-CG 4.44Å; F19-L49 HydrophobicContact CB-CD2 3.52Å; F19-L49 HydrophobicContact CD2-CD2 3.99Å; F19-L49 HydrophobicContact CG-CD2 3.88Å; T45-L49 PolarHBondContact O-N 2.95Å; T45-L49 VanDerWaalsContact O-N 3.1Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 3.31Å; N47-L49 VanDerWaalsContact C-N 3.28Å; N47-L49 PolarHBondContact O-N 3.49Å; L49-Q51 PolarHBondContact O-N 3.26Å; L49-L52 WeakPolarHBondContact O-CB 3.24Å; L49-L52 PolarHBondContact O-N 2.64Å; L49-T53 HydrophobicContact CD1-CG2 4.05Å; L49-T53 HydrophobicContact CG-CG2 4.45Å; L49-T53 PolarHBondContact O-N 3.32Å; L49-T53 PolarHBondContact O-OG1 3.49Å; L49-L57 HydrophobicContact CD2-CD1 3.69Å; L49-L57 HydrophobicContact CG-CD1 3.83Å; L49-F74 HydrophobicContact CD1-CE1 4.07Å; L49-F74 HydrophobicContact CD1-CZ 3.84Å; L49-F74 HydrophobicContact CD2-CE1 3.87Å; L49-F74 HydrophobicContact CD2-CZ 4.49Å; L49-F74 HydrophobicContact CG-CE1 4.44Å
50E97.3Very high96.5Very high27 Ų2759.4 Ų59.413%0.12631%0.313CS..Hα-helixtrans-62.1-33.5178.8-68-176.6128.700111.9L46 N47 T53 G54 A55 R56 L57 F58 R60L46-E50 PolarHBondContact O-N 3.28Å; N47-E50 PolarHBondContact O-N 3.48Å; E50-T53 PolarHBondContact O-OG1 3.14Å; E50-G54 WeakPolarHBondContact O-CA 3.24Å; E50-G54 PolarHBondContact O-N 2.79Å; E50-A55 WeakPolarHBondContact CA-O 3.34Å; E50-A55 WeakPolarHBondContact CB-O 3.34Å; E50-A55 PolarHBondContact O-N 2.83Å; E50-R56 WeakPolarHBondContact OE1-CA 3.44Å; E50-L57 HydrophobicContact CG-CB 4.29Å; E50-L57 HydrophobicContact CG-CD1 4.39Å; E50-L57 HydrophobicContact CG-CG 4.11Å; E50-L57 PolarHBondContact OE1-N 3.09Å; E50-F58 PolarHBondContact OE1-N 3.23Å; E50-R60 IonicContact OE2-NH2 2.82Å; E50-R60 PolarHBondContact OE2-NH2 3.41Å
51Q96.3Very high96Very high156 Ų15657.4 Ų57.473%0.72931%0.311SS*.Hα-helixtrans-67.1-40.1171.4-74.6177-6.700112.5N47 E48 L49 G54N47-Q51 WeakPolarHBondContact O-CB 3.39Å; N47-Q51 VanDerWaalsContact O-CG 3.31Å; N47-Q51 WeakPolarHBondContact O-CG 3.39Å; N47-Q51 PolarHBondContact O-N 3.18Å; E48-Q51 PolarHBondContact O-N 2.92Å; L49-Q51 PolarHBondContact O-N 3.26Å; Q51-G54 PolarHBondContact O-N 3.46Å
52L95.7Very high95.3Very high46 Ų4668.3 Ų68.324%0.24134%0.344CS..Hα-helixtrans-67.8-42177.9-73.7175000112.1F7 R10 I11 E48 L49 G54F7-L52 HydrophobicContact CD2-CB 3.84Å; F7-L52 VanDerWaalsContact CD2-O 3.31Å; F7-L52 WeakPolarHBondContact CD2-O 3.43Å; F7-L52 HydrophobicContact CE2-CB 3.81Å; R10-L52 HydrophobicContact CB-CD1 4.35Å; R10-L52 HydrophobicContact CB-CD2 3.56Å; R10-L52 HydrophobicContact CG-CD2 4.36Å; I11-L52 HydrophobicContact CB-CD1 4.44Å; E48-L52 VanDerWaalsContact O-CG 3.29Å; E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 3.41Å; L49-L52 WeakPolarHBondContact O-CB 3.24Å; L49-L52 PolarHBondContact O-N 2.64Å; L52-G54 VanDerWaalsContact C-N 3.31Å
53T94.6Very high94.6Very high41 Ų4176 Ų7625%0.25238%0.379SS..Hα-helixtrans-74.9-23.217759.60000112.3F7 L49 E50 A55 L57 F74F7-T53 HydrophobicContact CE2-CG2 3.66Å; F7-T53 HydrophobicContact CZ-CG2 3.94Å; L49-T53 HydrophobicContact CD1-CG2 4.05Å; L49-T53 HydrophobicContact CG-CG2 4.45Å; L49-T53 PolarHBondContact O-N 3.32Å; L49-T53 PolarHBondContact O-OG1 3.49Å; E50-T53 PolarHBondContact O-OG1 3.14Å; T53-A55 PolarHBondContact O-N 3.38Å; T53-A55 PolarHBondContact OG1-N 3.32Å; T53-A55 PolarHBondContact OG1-O 2.9Å; T53-L57 HydrophobicContact CG2-CD1 4.32Å; T53-F74 HydrophobicContact CG2-CD2 4.2Å; T53-F74 HydrophobicContact CG2-CE2 3.93Å; T53-F74 HydrophobicContact CG2-CZ 4.33Å
54G94.7Very high94.4Very high72 Ų7275.5 Ų75.574%0.74238%0.379SS*.THydrogen-bonded Turntrans69.416.7-172.200000113E50 Q51 L52E50-G54 WeakPolarHBondContact O-CA 3.24Å; E50-G54 PolarHBondContact O-N 2.79Å; Q51-G54 PolarHBondContact O-N 3.46Å; L52-G54 VanDerWaalsContact C-N 3.31Å
55A95.9Very high94.2Very high32 Ų3269.6 Ų69.626%0.26436%0.355SS..SBendtrans-133.8140.9-177.600000110.1E50 T53 L57 P70E50-A55 WeakPolarHBondContact CA-O 3.34Å; E50-A55 WeakPolarHBondContact CB-O 3.34Å; E50-A55 PolarHBondContact O-N 2.83Å; T53-A55 PolarHBondContact O-N 3.38Å; T53-A55 PolarHBondContact OG1-N 3.32Å; T53-A55 PolarHBondContact OG1-O 2.9Å; A55-L57 HydrophobicContact CB-CD2 4.47Å; A55-L57 PolarHBondContact O-N 3.37Å; A55-P70 HydrophobicContact CB-CB 4.19Å
56R97Very high94Very high202 Ų20273.3 Ų73.376%0.76237%0.371SS*.  trans-68.1127.4163-68.9-174.9179.9-179.60.5107.4E50 T68E50-R56 WeakPolarHBondContact OE1-CA 3.44Å; R56-T68 PolarHBondContact O-OG1 3.13Å
57L97.6Very high93.9Very high3 Ų375.7 Ų75.72%0.01638%0.383CS..  trans-100.8-27.5179.7-58.3177.2000110.9F19 L49 E50 T53 A55 T68 P70 G71 F74F19-L57 HydrophobicContact CD2-CB 4.25Å; F19-L57 HydrophobicContact CD2-CD1 3.8Å; F19-L57 HydrophobicContact CE2-CB 3.71Å; F19-L57 HydrophobicContact CE2-CD1 3.85Å; F19-L57 HydrophobicContact CE2-CG 4.36Å; L49-L57 HydrophobicContact CD2-CD1 3.69Å; L49-L57 HydrophobicContact CG-CD1 3.83Å; E50-L57 HydrophobicContact CG-CB 4.29Å; E50-L57 HydrophobicContact CG-CD1 4.39Å; E50-L57 HydrophobicContact CG-CG 4.11Å; E50-L57 PolarHBondContact OE1-N 3.09Å; T53-L57 HydrophobicContact CG2-CD1 4.32Å; A55-L57 HydrophobicContact CB-CD2 4.47Å; A55-L57 PolarHBondContact O-N 3.37Å; L57-T68 VanDerWaalsContact C-OG1 3.27Å; L57-T68 WeakPolarHBondContact CA-OG1 3.38Å; L57-T68 PolarHBondContact O-N 2.95Å; L57-T68 PolarHBondContact O-OG1 2.89Å; L57-P70 HydrophobicContact CD2-CB 4.49Å; L57-G71 WeakPolarHBondContact O-CA 3.22Å; L57-F74 HydrophobicContact CD1-CD1 3.92Å; L57-F74 HydrophobicContact CD1-CE1 4.33Å; L57-F74 HydrophobicContact CD1-CG 4.32Å; L57-F74 HydrophobicContact CD2-CB 4.01Å; L57-F74 HydrophobicContact CD2-CG 4.29Å
58F97.3Very high93.8Very high7 Ų773.3 Ų73.33%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-122.4139.2174.5-68.7-83.3000113F19 V22 A23 L46 E50 R60 A65 Q66 L67F19-F58 HydrophobicContact CD2-CD2 4.26Å; F19-F58 AromaticContact CD2-CE2 3.38Å; F19-F58 HydrophobicContact CD2-CE2 3.38Å; F19-F58 AromaticContact CD2-CZ 3.96Å; F19-F58 HydrophobicContact CD2-CZ 3.96Å; F19-F58 HydrophobicContact CE2-CD2 4.13Å; F19-F58 AromaticContact CE2-CE2 3.38Å; F19-F58 HydrophobicContact CE2-CE2 3.38Å; F19-F58 AromaticContact CE2-CZ 3.7Å; F19-F58 HydrophobicContact CE2-CZ 3.7Å; F19-F58 HydrophobicContact CG-CE2 4.42Å; F19-F58 HydrophobicContact CZ-CE2 4.46Å; F19-F58 HydrophobicContact CZ-CZ 4.39Å; V22-F58 HydrophobicContact CB-CE1 4.4Å; V22-F58 HydrophobicContact CB-CE2 3.95Å; V22-F58 HydrophobicContact CB-CZ 3.74Å; V22-F58 HydrophobicContact CG1-CD1 4.17Å; V22-F58 HydrophobicContact CG1-CD2 4.2Å; V22-F58 HydrophobicContact CG1-CE1 3.74Å; V22-F58 HydrophobicContact CG1-CE2 3.74Å; V22-F58 HydrophobicContact CG1-CG 4.39Å; V22-F58 HydrophobicContact CG1-CZ 3.51Å; A23-F58 HydrophobicContact CB-CE1 4.36Å; A23-F58 HydrophobicContact CB-CZ 4.08Å; L46-F58 HydrophobicContact CD1-CD2 3.95Å; L46-F58 HydrophobicContact CD1-CE2 3.89Å; L46-F58 HydrophobicContact CD2-CD2 3.91Å; L46-F58 HydrophobicContact CD2-CE2 4.29Å; L46-F58 HydrophobicContact CG-CD2 4.45Å; E50-F58 PolarHBondContact OE1-N 3.23Å; F58-R60 HydrophobicContact CB-CG 4.39Å; F58-A65 HydrophobicContact CB-CB 4.39Å; F58-A65 HydrophobicContact CD1-CB 3.86Å; F58-A65 HydrophobicContact CE1-CB 4.44Å; F58-A65 HydrophobicContact CG-CB 4.26Å; F58-Q66 CarbonylContact C-O 3.47Å; F58-Q66 WeakPolarHBondContact CA-O 3.39Å; F58-Q66 WeakPolarHBondContact CD1-O 3.49Å; F58-L67 HydrophobicContact CD1-CD2 3.93Å; F58-L67 HydrophobicContact CD1-CG 4.28Å; F58-L67 HydrophobicContact CE1-CD2 3.38Å; F58-L67 HydrophobicContact CE1-CG 3.78Å; F58-L67 HydrophobicContact CE2-CD2 4.37Å; F58-L67 HydrophobicContact CZ-CD2 3.63Å; F58-L67 HydrophobicContact CZ-CG 4.45Å
59E95.1Very high93.6Very high128 Ų12876.4 Ų76.460%0.59839%0.389SS*.EExtended strand (participates in β ladder)trans-84.6120.6156.5-78.4177.5-156.300108.8A65 Q66 T68E59-A65 WeakPolarHBondContact O-CA 3.31Å; E59-Q66 PolarHBondContact N-O 3.36Å; E59-Q66 PolarHBondContact O-N 2.95Å; E59-T68 HydrophobicContact CG-CG2 3.84Å
60R90.4Very high93.4Very high100 Ų10079.1 Ų79.138%0.37741%0.407SS..EExtended strand (participates in β ladder)trans-105.3124.6-179-55.4-178.9-161.7174.410.6108.8N47 E50 F58 G64N47-R60 PolarHBondContact OD1-NH1 2.94Å; N47-R60 PolarHBondContact OD1-NH2 2.95Å; E50-R60 IonicContact OE2-NH2 2.82Å; E50-R60 PolarHBondContact OE2-NH2 3.41Å; F58-R60 HydrophobicContact CB-CG 4.39Å; R60-G64 WeakPolarHBondContact CA-O 3.1Å
61G86.7Confident93.4Very high56 Ų5677.8 Ų77.858%0.57740%0.401SS*.EExtended strand (participates in β ladder)trans-153.6-167.1-177.800000113Q63 G64G61-Q63 PolarHBondContact O-N 2.78Å; G61-G64 PolarHBondContact N-O 2.9Å; G61-G64 PolarHBondContact O-N 2.9Å
62R82.7Confident93.2Very high267 Ų26773.2 Ų73.2100%1.00838%0.379SS*.THydrogen-bonded Turntrans-59.9-27.2178.6-69.6-175.8178.6-177.1-0.2113.1G64R62-G64 VanDerWaalsContact C-N 3.28Å
63Q83.2Confident93Very high161 Ų16176.4 Ų76.475%0.75239%0.393SS*.THydrogen-bonded Turntrans-85.54.4179-63.7-178.7-1.600113.5G61G61-Q63 PolarHBondContact O-N 2.78Å
64G92Very high93Very high20 Ų2076 Ų7621%0.20639%0.388CS..EExtended strand (participates in β ladder)trans102.3-142.1-177.200000112.5G26 R60 G61 R62G26-G64 WeakPolarHBondContact O-CA 3.38Å; R60-G64 WeakPolarHBondContact CA-O 3.1Å; G61-G64 PolarHBondContact N-O 2.9Å; G61-G64 PolarHBondContact O-N 2.9Å; R62-G64 VanDerWaalsContact C-N 3.28Å
65A93.9Very high92.9Very high9 Ų972.8 Ų72.87%0.07435%0.353CS..EExtended strand (participates in β ladder)trans-113.4113.2-179.700000109.7V22 G26 L28 F58 E59V22-A65 HydrophobicContact CG1-CB 3.69Å; G26-A65 PolarHBondContact O-N 3.49Å; L28-A65 HydrophobicContact CD1-CB 3.86Å; F58-A65 HydrophobicContact CB-CB 4.39Å; F58-A65 HydrophobicContact CD1-CB 3.86Å; F58-A65 HydrophobicContact CE1-CB 4.44Å; F58-A65 HydrophobicContact CG-CB 4.26Å; E59-A65 WeakPolarHBondContact O-CA 3.31Å
66Q94.4Very high92.6Very high97 Ų9772.6 Ų72.645%0.45335%0.349SS..EExtended strand (participates in β ladder)trans-105140176.9-72.5175.8-16.700109.8F58 E59 T68F58-Q66 CarbonylContact C-O 3.47Å; F58-Q66 WeakPolarHBondContact CA-O 3.39Å; F58-Q66 WeakPolarHBondContact CD1-O 3.49Å; E59-Q66 PolarHBondContact N-O 3.36Å; E59-Q66 PolarHBondContact O-N 2.95Å; Q66-T68 PolarHBondContact O-N 3.35Å
67L94.5Very high92.3Very high49 Ų4968.2 Ų68.226%0.25734%0.337SS..EExtended strand (participates in β ladder)trans-66.5135.2177.1-72.3165.3000109.8F19 A23 F58 E72 L75F19-L67 HydrophobicContact CE2-CD2 3.79Å; F19-L67 HydrophobicContact CZ-CD2 3.55Å; A23-L67 HydrophobicContact CB-CD1 4.23Å; A23-L67 HydrophobicContact CB-CD2 4.45Å; F58-L67 HydrophobicContact CD1-CD2 3.93Å; F58-L67 HydrophobicContact CD1-CG 4.28Å; F58-L67 HydrophobicContact CE1-CD2 3.38Å; F58-L67 HydrophobicContact CE1-CG 3.78Å; F58-L67 HydrophobicContact CE2-CD2 4.37Å; F58-L67 HydrophobicContact CZ-CD2 3.63Å; F58-L67 HydrophobicContact CZ-CG 4.45Å; L67-E72 HydrophobicContact CB-CG 3.81Å; L67-E72 HydrophobicContact CD1-CG 4.29Å; L67-L75 HydrophobicContact CD1-CD2 3.74Å
68T95.4Very high92.2Very high17 Ų1768.1 Ų68.110%0.10434%0.337CS..  trans-76.6165.916363.60000109.2R56 L57 E59 Q66 G71 E72R56-T68 PolarHBondContact O-OG1 3.13Å; L57-T68 VanDerWaalsContact C-OG1 3.27Å; L57-T68 WeakPolarHBondContact CA-OG1 3.38Å; L57-T68 PolarHBondContact O-N 2.95Å; L57-T68 PolarHBondContact O-OG1 2.89Å; E59-T68 HydrophobicContact CG-CG2 3.84Å; Q66-T68 PolarHBondContact O-N 3.35Å; T68-G71 CarbonylContact O-C 3.5Å; T68-G71 VanDerWaalsContact O-CA 3.22Å; T68-G71 WeakPolarHBondContact O-CA 3.44Å; T68-G71 PolarHBondContact O-N 2.9Å; T68-G71 PolarHBondContact OG1-N 3.45Å; T68-G71 VanDerWaalsContact OG1-N 3.07Å; T68-E72 PolarHBondContact O-N 3.03Å
69L92.4Very high91.9Very high114 Ų11468 Ų6860%0.59734%0.337SS*.Hα-helixtrans-55.1-45.5174-179.867.8000113.3G71 E72 Q73L69-G71 VanDerWaalsContact C-N 3.25Å; L69-G71 PolarHBondContact O-N 3.45Å; L69-E72 PolarHBondContact O-N 3.3Å; L69-Q73 WeakPolarHBondContact O-CG 3.24Å; L69-Q73 PolarHBondContact O-N 3.02Å
70P94.6Very high91.6Very high57 Ų5765 Ų6537%0.3732%0.32SS..Hα-helixtrans-59.5-34.7169.7-25.635000113.6A55 L57 F74A55-P70 HydrophobicContact CB-CB 4.19Å; L57-P70 HydrophobicContact CD2-CB 4.49Å; P70-F74 VanDerWaalsContact O-CB 3.27Å; P70-F74 WeakPolarHBondContact O-CB 3.48Å; P70-F74 PolarHBondContact O-N 3.3Å
71G96.2Very high91.7Very high0 Ų063.4 Ų63.40%032%0.321CS..Hα-helixtrans-61.2-46.2174.100000113F19 L57 T68 L69 F74 L75F19-G71 WeakPolarHBondContact CZ-O 3.42Å; L57-G71 WeakPolarHBondContact O-CA 3.22Å; T68-G71 CarbonylContact O-C 3.5Å; T68-G71 VanDerWaalsContact O-CA 3.22Å; T68-G71 WeakPolarHBondContact O-CA 3.44Å; T68-G71 PolarHBondContact O-N 2.9Å; T68-G71 PolarHBondContact OG1-N 3.45Å; T68-G71 VanDerWaalsContact OG1-N 3.07Å; L69-G71 VanDerWaalsContact C-N 3.25Å; L69-G71 PolarHBondContact O-N 3.45Å; G71-F74 PolarHBondContact O-N 3.45Å; G71-L75 WeakPolarHBondContact O-CB 3.38Å; G71-L75 PolarHBondContact O-N 2.94Å
72E92.4Very high92Very high59 Ų5961.4 Ų61.428%0.27630%0.297SS..Hα-helixtrans-63-42.5177.7-63.6-169.1153.400112.2L67 T68 L69 L75 T76L67-E72 HydrophobicContact CB-CG 3.81Å; L67-E72 HydrophobicContact CD1-CG 4.29Å; T68-E72 PolarHBondContact O-N 3.03Å; L69-E72 PolarHBondContact O-N 3.3Å; E72-L75 PolarHBondContact O-N 2.93Å; E72-T76 PolarHBondContact O-N 2.79Å; E72-T76 PolarHBondContact O-OG1 3.28Å
73Q91.2Very high92.2Very high114 Ų11450.6 Ų50.653%0.53326%0.259SS..Hα-helixtrans-62-46.3174.2-67.7175.7-8.200110.8L69 L75 T76 H77L69-Q73 WeakPolarHBondContact O-CG 3.24Å; L69-Q73 PolarHBondContact O-N 3.02Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; Q73-L75 PolarHBondContact O-N 2.98Å; Q73-T76 PolarHBondContact O-N 3.16Å; Q73-H77 PolarHBondContact O-CD2 3.22Å
74F94.6Very high92.4Very high32 Ų3245.9 Ų45.914%0.1425%0.248CC..Hα-helixtrans-64-37.5178.6-169.2-99.8000112.4F7 I11 L16 F19 L49 T53 L57 P70 G71 T76 H77 A78F7-F74 HydrophobicContact CE1-CE2 4.42Å; F7-F74 AromaticContact CZ-CE2 3.81Å; F7-F74 HydrophobicContact CZ-CE2 3.81Å; F7-F74 HydrophobicContact CZ-CZ 4.18Å; I11-F74 HydrophobicContact CD1-CZ 3.96Å; L16-F74 HydrophobicContact CD2-CE1 3.92Å; L16-F74 HydrophobicContact CD2-CZ 3.82Å; F19-F74 AromaticContact CD1-CD1 3.86Å; F19-F74 HydrophobicContact CD1-CD1 3.86Å; F19-F74 HydrophobicContact CD1-CE1 4.12Å; F19-F74 HydrophobicContact CD2-CD1 4.41Å; F19-F74 AromaticContact CE1-CD1 3.78Å; F19-F74 HydrophobicContact CE1-CD1 3.78Å; F19-F74 HydrophobicContact CE1-CE1 4.48Å; F19-F74 HydrophobicContact CE2-CD1 4.35Å; F19-F74 HydrophobicContact CG-CD1 4.2Å; F19-F74 HydrophobicContact CG-CE1 4.3Å; F19-F74 HydrophobicContact CZ-CD1 4.03Å; L49-F74 HydrophobicContact CD1-CE1 4.07Å; L49-F74 HydrophobicContact CD1-CZ 3.84Å; L49-F74 HydrophobicContact CD2-CE1 3.87Å; L49-F74 HydrophobicContact CD2-CZ 4.49Å; L49-F74 HydrophobicContact CG-CE1 4.44Å; T53-F74 HydrophobicContact CG2-CD2 4.2Å; T53-F74 HydrophobicContact CG2-CE2 3.93Å; T53-F74 HydrophobicContact CG2-CZ 4.33Å; L57-F74 HydrophobicContact CD1-CD1 3.92Å; L57-F74 HydrophobicContact CD1-CE1 4.33Å; L57-F74 HydrophobicContact CD1-CG 4.32Å; L57-F74 HydrophobicContact CD2-CB 4.01Å; L57-F74 HydrophobicContact CD2-CG 4.29Å; P70-F74 VanDerWaalsContact O-CB 3.27Å; P70-F74 WeakPolarHBondContact O-CB 3.48Å; P70-F74 PolarHBondContact O-N 3.3Å; G71-F74 PolarHBondContact O-N 3.45Å; F74-T76 VanDerWaalsContact C-N 3.33Å; F74-T76 PolarHBondContact O-N 2.93Å; F74-H77 PolarHBondContact O-N 2.99Å; F74-H77 VanDerWaalsContact O-N 3.13Å; F74-A78 HydrophobicContact CD1-CB 4.24Å; F74-A78 HydrophobicContact CE1-CB 4.04Å; F74-A78 WeakPolarHBondContact O-CB 3.33Å; F74-A78 PolarHBondContact O-N 3.02Å
75L94.2Very high92.3Very high4 Ų448.4 Ų48.42%0.02126%0.256CS..Hα-helixtrans-57.9-44.9177.2-178.767.1000112.7F19 V20 A23 L67 G71 E72 Q73 H77 A78 V79 K147 T148F19-L75 HydrophobicContact CD1-CD1 4.32Å; F19-L75 HydrophobicContact CE1-CB 3.7Å; F19-L75 HydrophobicContact CE1-CD1 3.65Å; F19-L75 HydrophobicContact CE1-CG 4.3Å; F19-L75 HydrophobicContact CZ-CB 4.03Å; F19-L75 HydrophobicContact CZ-CD1 4.45Å; V20-L75 HydrophobicContact CG2-CD1 4Å; A23-L75 HydrophobicContact CB-CD1 4Å; A23-L75 HydrophobicContact CB-CD2 4.33Å; L67-L75 HydrophobicContact CD1-CD2 3.74Å; G71-L75 WeakPolarHBondContact O-CB 3.38Å; G71-L75 PolarHBondContact O-N 2.94Å; E72-L75 PolarHBondContact O-N 2.93Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; Q73-L75 PolarHBondContact O-N 2.98Å; L75-H77 PolarHBondContact O-N 2.76Å; L75-A78 PolarHBondContact O-N 2.89Å; L75-V79 HydrophobicContact CD1-CG2 3.73Å; L75-V79 HydrophobicContact CG-CG2 4.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.22Å; L75-K147 HydrophobicContact CD2-CB 4.09Å; L75-T148 HydrophobicContact CD2-CG2 4.2Å
76T88.4Confident91.9Very high29 Ų2952 Ų5218%0.17827%0.274CS..Hα-helixtrans-55.2-39.3177.7-60.30000111.5E72 Q73 F74 R80E72-T76 PolarHBondContact O-N 2.79Å; E72-T76 PolarHBondContact O-OG1 3.28Å; Q73-T76 PolarHBondContact O-N 3.16Å; F74-T76 VanDerWaalsContact C-N 3.33Å; F74-T76 PolarHBondContact O-N 2.93Å; T76-R80 WeakPolarHBondContact O-CD 3.33Å; T76-R80 WeakPolarHBondContact O-CG 3.26Å; T76-R80 PolarHBondContact O-NE 2.76Å
77H91.6Very high91.2Very high109 Ų10950.1 Ų50.151%0.50527%0.269SS..Hα-helixtrans-81.7-39.9178-63.1-65.8000113.4Q73 F74 L75 V79 R80 V81Q73-H77 PolarHBondContact O-CD2 3.22Å; F74-H77 PolarHBondContact O-N 2.99Å; F74-H77 VanDerWaalsContact O-N 3.13Å; L75-H77 PolarHBondContact O-N 2.76Å; H77-V79 PolarHBondContact O-N 2.68Å; H77-R80 PolarHBondContact O-N 2.84Å; H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 3.24Å; H77-V81 VanDerWaalsContact O-N 3.1Å
78A94.5Very high90.6Very high2 Ų250.4 Ų50.42%0.01728%0.278CS..Hα-helixtrans-58.8-47.2179.600000111.5L16 F19 V20 F74 L75 R80 V81 L82L16-A78 HydrophobicContact CD2-CB 3.89Å; F19-A78 HydrophobicContact CD1-CB 4.01Å; F19-A78 HydrophobicContact CE1-CB 4.32Å; V20-A78 HydrophobicContact CG2-CB 4.11Å; F74-A78 HydrophobicContact CD1-CB 4.24Å; F74-A78 HydrophobicContact CE1-CB 4.04Å; F74-A78 WeakPolarHBondContact O-CB 3.33Å; F74-A78 PolarHBondContact O-N 3.02Å; L75-A78 PolarHBondContact O-N 2.89Å; A78-R80 PolarHBondContact O-N 3.48Å; A78-V81 PolarHBondContact O-N 3.07Å; A78-L82 WeakPolarHBondContact O-CG 3.32Å; A78-L82 PolarHBondContact O-N 2.76Å; A78-L82 VanDerWaalsContact O-N 3.11Å
79V91.9Very high90Very high4 Ų450.9 Ų50.92%0.02429%0.287CS..Hα-helixtrans-63.4-42178.9174.10000111.1V20 L75 H77 V81 L82 D83 T148V20-V79 HydrophobicContact CG1-CG2 4.3Å; V20-V79 HydrophobicContact CG2-CG2 3.85Å; L75-V79 HydrophobicContact CD1-CG2 3.73Å; L75-V79 HydrophobicContact CG-CG2 4.22Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.22Å; H77-V79 PolarHBondContact O-N 2.68Å; V79-V81 VanDerWaalsContact C-N 3.33Å; V79-V81 PolarHBondContact O-N 3.4Å; V79-L82 PolarHBondContact O-N 2.88Å; V79-D83 WeakPolarHBondContact O-CB 3.47Å; V79-D83 PolarHBondContact O-N 2.67Å; V79-T148 WeakPolarHBondContact CG2-O 3.47Å
80R88.4Confident89.2Confident65 Ų6550.9 Ų50.925%0.24528%0.279CS..Hα-helixtrans-59.2-42176.1-71.1170.6-164.6-161.9-1112.9T76 H77 A78 D83 A84 D287T76-R80 WeakPolarHBondContact O-CD 3.33Å; T76-R80 WeakPolarHBondContact O-CG 3.26Å; T76-R80 PolarHBondContact O-NE 2.76Å; H77-R80 PolarHBondContact O-N 2.84Å; A78-R80 PolarHBondContact O-N 3.48Å; R80-D83 PolarHBondContact O-N 2.85Å; R80-A84 WeakPolarHBondContact O-CB 3.35Å; R80-A84 PolarHBondContact O-N 3.42Å; R80-D287 VanDerWaalsContact CZ-CB 3.47Å; R80-D287 IonicContact CZ-OD2 2.67Å; R80-D287 IonicContact NH1-OD2 3.32Å; R80-D287 PolarHBondContact NH1-OD2 3.47Å; R80-D287 IonicContact NH2-OD2 3.78Å; R80-D287 PolarHBondContact NH2-OD2 3.46Å
81V92.9Very high88.2Confident67 Ų6752 Ų5241%0.40629%0.288SS..Hα-helixtrans-64.2-44.4177.7172.50000110.6L16 H77 A78 V79 A84 I85L16-V81 HydrophobicContact CD1-CB 3.84Å; L16-V81 HydrophobicContact CD1-CG1 3.51Å; H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 3.24Å; H77-V81 VanDerWaalsContact O-N 3.1Å; A78-V81 PolarHBondContact O-N 3.07Å; V79-V81 VanDerWaalsContact C-N 3.33Å; V79-V81 PolarHBondContact O-N 3.4Å; V81-A84 PolarHBondContact O-N 2.93Å; V81-I85 HydrophobicContact CG1-CD1 3.97Å; V81-I85 WeakPolarHBondContact O-CD1 3.5Å; V81-I85 WeakPolarHBondContact O-CG1 3.35Å; V81-I85 PolarHBondContact O-N 3.45Å
82L92.9Very high87.3Confident14 Ų1458.9 Ų58.97%0.07332%0.324CS..Hα-helixtrans-63.5-42.5176.8-65.8-178.8000111.7L16 H17 V20 A78 V79 A84 I85 N86L16-L82 HydrophobicContact CB-CD1 4.25Å; L16-L82 HydrophobicContact CB-CD2 3.89Å; L16-L82 HydrophobicContact CB-CG 4.1Å; L16-L82 HydrophobicContact CD1-CD2 4.39Å; H17-L82 WeakPolarHBondContact CE1-CD2 3.29Å; V20-L82 HydrophobicContact CB-CD1 4.2Å; V20-L82 HydrophobicContact CG2-CD1 3.83Å; A78-L82 WeakPolarHBondContact O-CG 3.32Å; A78-L82 PolarHBondContact O-N 2.76Å; A78-L82 VanDerWaalsContact O-N 3.11Å; V79-L82 PolarHBondContact O-N 2.88Å; L82-A84 PolarHBondContact O-N 3.49Å; L82-I85 PolarHBondContact O-N 3.15Å; L82-N86 WeakPolarHBondContact O-CB 3.5Å; L82-N86 VanDerWaalsContact O-CG 3.26Å; L82-N86 PolarHBondContact O-N 3.13Å; L82-N86 PolarHBondContact O-ND2 3.47Å
83D86.8Confident86.2Confident39 Ų3963.7 Ų63.721%0.20935%0.346CS..Hα-helixtrans-63.8-40.6177.9-76.7-13.7000112.7V79 R80 I85 N86 T87 R285V79-D83 WeakPolarHBondContact O-CB 3.47Å; V79-D83 PolarHBondContact O-N 2.67Å; R80-D83 PolarHBondContact O-N 2.85Å; D83-I85 VanDerWaalsContact C-N 3.33Å; D83-I85 PolarHBondContact O-N 3.33Å; D83-N86 PolarHBondContact O-N 2.92Å; D83-T87 VanDerWaalsContact O-CB 3.26Å; D83-T87 WeakPolarHBondContact O-CB 3.48Å; D83-T87 PolarHBondContact O-N 3.38Å; D83-T87 PolarHBondContact O-OG1 3.37Å; D83-R285 IonicContact OD2-CZ 3.04Å; D83-R285 IonicContact OD2-NH1 2.67Å; D83-R285 PolarHBondContact OD2-NH1 3.31Å; D83-R285 IonicContact OD2-NH2 2.9Å; D83-R285 PolarHBondContact OD2-NH2 3.2Å
84A87.6Confident84.7Confident63 Ų6365.8 Ų65.852%0.52135%0.349SS..Hα-helixtrans-61.5-42.817600000111.3R80 V81 L82 T87 A88R80-A84 WeakPolarHBondContact O-CB 3.35Å; R80-A84 PolarHBondContact O-N 3.42Å; V81-A84 PolarHBondContact O-N 2.93Å; L82-A84 PolarHBondContact O-N 3.49Å; A84-T87 PolarHBondContact O-N 3.33Å; A84-A88 WeakPolarHBondContact O-CB 3.28Å; A84-A88 PolarHBondContact O-N 2.91Å
85I89.5Confident83Confident72 Ų7272 Ų7237%0.36938%0.376SS..Hα-helixtrans-68.2-44.4178.2-67.5165.1000111.1L13 V81 L82 D83 T87 A88 G89L13-I85 HydrophobicContact CD1-CD1 3.83Å; L13-I85 HydrophobicContact CD2-CD1 3.2Å; L13-I85 HydrophobicContact CG-CD1 4.14Å; V81-I85 HydrophobicContact CG1-CD1 3.97Å; V81-I85 WeakPolarHBondContact O-CD1 3.5Å; V81-I85 WeakPolarHBondContact O-CG1 3.35Å; V81-I85 PolarHBondContact O-N 3.45Å; L82-I85 PolarHBondContact O-N 3.15Å; D83-I85 VanDerWaalsContact C-N 3.33Å; D83-I85 PolarHBondContact O-N 3.33Å; I85-T87 VanDerWaalsContact C-N 3.28Å; I85-T87 PolarHBondContact O-N 3.2Å; I85-A88 PolarHBondContact O-N 2.9Å; I85-G89 PolarHBondContact O-N 3.25Å
86N84.8Confident81.1Confident85 Ų8581.5 Ų81.546%0.45542%0.42SS..Hα-helixtrans-61.8-38.5176.3-73.7-28.7000111.5L82 D83 G89 R90L82-N86 WeakPolarHBondContact O-CB 3.5Å; L82-N86 VanDerWaalsContact O-CG 3.26Å; L82-N86 PolarHBondContact O-N 3.13Å; L82-N86 PolarHBondContact O-ND2 3.47Å; D83-N86 PolarHBondContact O-N 2.92Å; N86-G89 PolarHBondContact O-N 3.33Å; N86-R90 WeakPolarHBondContact O-CB 3.29Å; N86-R90 WeakPolarHBondContact O-CG 3.17Å; N86-R90 PolarHBondContact O-N 3.24Å
87T80.6Confident79.6Confident58 Ų5883 Ų8336%0.35644%0.442SS..Hα-helixtrans-67.5-43176.1-59.80000111.5D83 A84 I85 G89 R90 S91D83-T87 VanDerWaalsContact O-CB 3.26Å; D83-T87 WeakPolarHBondContact O-CB 3.48Å; D83-T87 PolarHBondContact O-N 3.38Å; D83-T87 PolarHBondContact O-OG1 3.37Å; A84-T87 PolarHBondContact O-N 3.33Å; I85-T87 VanDerWaalsContact C-N 3.28Å; I85-T87 PolarHBondContact O-N 3.2Å; T87-G89 PolarHBondContact O-N 2.83Å; T87-R90 PolarHBondContact O-N 3.33Å; T87-R90 PolarHBondContact OG1-NH2 3.01Å; T87-S91 PolarHBondContact O-N 3.05Å
88A82.5Confident77.8Confident54 Ų5483.1 Ų83.145%0.44645%0.446SS..Hα-helixtrans-59.2-46.1172.800000111.5A84 I85 R90 S91 L92A84-A88 WeakPolarHBondContact O-CB 3.28Å; A84-A88 PolarHBondContact O-N 2.91Å; I85-A88 PolarHBondContact O-N 2.9Å; A88-R90 PolarHBondContact O-N 3.45Å; A88-S91 PolarHBondContact O-N 3.49Å; A88-S91 PolarHBondContact O-OG 3.02Å; A88-L92 PolarHBondContact O-N 2.95Å
89G82.1Confident76.3Confident28 Ų2884.5 Ų84.529%0.28945%0.453SS..Hα-helixtrans-59.4-46.3175.600000112.9I85 N86 T87 S91 L92 H93I85-G89 PolarHBondContact O-N 3.25Å; N86-G89 PolarHBondContact O-N 3.33Å; T87-G89 PolarHBondContact O-N 2.83Å; G89-S91 VanDerWaalsContact C-N 3.3Å; G89-S91 PolarHBondContact O-N 3.35Å; G89-L92 PolarHBondContact O-N 3.48Å; G89-H93 PolarHBondContact O-CD2 2.9Å
90R75.1Confident75.2Confident114 Ų11490.6 Ų90.643%0.4349%0.485SS..Hα-helixtrans-60.6-38.1175.3-74.9-175.5-69.1-176.10.7112.6N86 T87 A88 L92 H93 R94N86-R90 WeakPolarHBondContact O-CB 3.29Å; N86-R90 WeakPolarHBondContact O-CG 3.17Å; N86-R90 PolarHBondContact O-N 3.24Å; T87-R90 PolarHBondContact O-N 3.33Å; T87-R90 PolarHBondContact OG1-NH2 3.01Å; A88-R90 PolarHBondContact O-N 3.45Å; R90-L92 VanDerWaalsContact C-N 3.26Å; R90-L92 PolarHBondContact O-N 3.02Å; R90-H93 PolarHBondContact O-N 3.43Å; R90-H93 VanDerWaalsContact O-N 3.15Å; R90-R94 PolarHBondContact O-N 3.43Å
91S74.5Confident74.7Confident79 Ų7988.1 Ų88.155%0.55248%0.477SS*.Hα-helixtrans-63.5-30.5179.675.90000113.2T87 A88 G89T87-S91 PolarHBondContact O-N 3.05Å; A88-S91 PolarHBondContact O-N 3.49Å; A88-S91 PolarHBondContact O-OG 3.02Å; G89-S91 VanDerWaalsContact C-N 3.3Å; G89-S91 PolarHBondContact O-N 3.35Å
92L76.9Confident74.5Confident146 Ų14686.5 Ų86.576%0.76447%0.467SS*.Hα-helixtrans-74.2-26.6176.2-64172.7000113.1A88 G89 R90A88-L92 PolarHBondContact O-N 2.95Å; G89-L92 PolarHBondContact O-N 3.48Å; R90-L92 VanDerWaalsContact C-N 3.26Å; R90-L92 PolarHBondContact O-N 3.02Å
93H68.3Low74.5Confident159 Ų15985.8 Ų85.874%0.73646%0.463SS*.Hα-helixtrans-96.30.7-178.5-66.2-59.2000113.8G89 R90 K95G89-H93 PolarHBondContact O-CD2 2.9Å; R90-H93 PolarHBondContact O-N 3.43Å; R90-H93 VanDerWaalsContact O-N 3.15Å; H93-K95 VanDerWaalsContact C-N 3.26Å; H93-K95 PolarHBondContact O-N 3.43Å
94R61.6Low74.9Confident158 Ų15888.2 Ų88.260%0.59647%0.469SS*.  trans-70.983.6176.6-159.2179.3-152.6-178.97.3109.5R90 N99R90-R94 PolarHBondContact O-N 3.43Å; R94-N99 PolarHBondContact NH2-OD1 2.93Å
95K57Low75.4Confident163 Ų16385.3 Ų85.371%0.70945%0.446SS*.  trans-64.1138.1160.1-74.5-173.9176.3-1780107.8H93 G97 L98H93-K95 VanDerWaalsContact C-N 3.26Å; H93-K95 PolarHBondContact O-N 3.43Å; K95-G97 PolarHBondContact O-N 3.15Å; K95-L98 PolarHBondContact O-N 2.87Å
96E55.9Low75.8Confident203 Ų20381.9 Ų81.995%0.94943%0.428SS*.THydrogen-bonded Turntrans-51.4116.9170.8-70176.5156.900108.9
97G55.4Low76.4Confident61 Ų6177.9 Ų77.963%0.62941%0.406SS*.THydrogen-bonded Turntrans101.91.5173.700000118.2K95K95-G97 PolarHBondContact O-N 3.15Å
98L55.7Low77.2Confident112 Ų11275.8 Ų75.859%0.58639%0.393SS*.  trans-121.787.5170.1-77.5156.4000109.4K95 N100K95-L98 PolarHBondContact O-N 2.87Å; L98-N100 PolarHBondContact O-N 2.9Å
99N61.7Low77.7Confident31 Ų3174 Ų7417%0.16638%0.377CS..  trans-81.381.2178.6-157.736.9000110.4R94 D101 E129R94-N99 PolarHBondContact NH2-OD1 2.93Å; N99-D101 PolarHBondContact O-N 2.94Å; N99-E129 HydrophobicContact CB-CB 4.27Å; N99-E129 WeakPolarHBondContact CB-OE2 3.42Å; N99-E129 PolarHBondContact N-OE2 3.39Å; N99-E129 VanDerWaalsContact N-OE2 3.11Å
100N68.5Low78.3Confident132 Ų13273.5 Ų73.571%0.70637%0.368SS*.  trans-73.743.4174.8-72.4-2.3000112.8L98L98-N100 PolarHBondContact O-N 2.9Å
101D79.4Confident79.2Confident12 Ų1268.1 Ų68.16%0.06435%0.348CS..  trans-72.9131.3174-156.1-0.5000108.6N99 T130 T131 S291 G293N99-D101 PolarHBondContact O-N 2.94Å; D101-T130 HydrophobicContact CB-CG2 4.26Å; D101-T131 PolarHBondContact O-N 3.49Å; D101-S291 VanDerWaalsContact OD1-CB 3.31Å; D101-S291 WeakPolarHBondContact OD1-CB 3.47Å; D101-S291 PolarHBondContact OD1-OG 2.88Å; D101-S291 WeakPolarHBondContact OD2-CB 3.42Å; D101-S291 PolarHBondContact OD2-OG 3.19Å; D101-G293 WeakPolarHBondContact OD2-CA 3.21Å; D101-G293 PolarHBondContact OD2-N 3.14Å
102V88Confident80.1Confident33 Ų3364.8 Ų64.820%0.233%0.326CS..EExtended strand (participates in β ladder)trans-120119.4177-178.10000106.5R104 T131 Q133V102-R104 HydrophobicContact CG1-CG 4.32Å; V102-T131 VanDerWaalsContact CA-O 3.3Å; V102-T131 WeakPolarHBondContact CA-O 3.31Å; V102-T131 HydrophobicContact CG1-CG2 4.47Å; V102-Q133 HydrophobicContact CG1-CG 3.83Å
103V92.9Very high80.9Confident0 Ų062 Ų620%031%0.311CS..EExtended strand (participates in β ladder)trans-109.9120.9176.3-177.60000108.3V105 T130 T131 L132 Q133 I153 C294 M297V103-V105 HydrophobicContact CG1-CG2 4.16Å; V103-T130 HydrophobicContact CG2-CG2 3.81Å; V103-T131 PolarHBondContact N-O 3.49Å; V103-L132 HydrophobicContact CB-CD2 3.75Å; V103-L132 HydrophobicContact CG1-CD2 4.34Å; V103-L132 HydrophobicContact CG2-CD2 4.33Å; V103-Q133 PolarHBondContact O-N 2.9Å; V103-I153 HydrophobicContact CG1-CD1 3.92Å; V103-C294 HydrophobicContact CG1-CB 4.28Å; V103-C294 HydrophobicContact CG2-CB 4.32Å; V103-M297 HydrophobicContact CG1-CB 4.4Å
104R95.3Very high82Confident89 Ų8955.2 Ų55.234%0.33628%0.284SS..EExtended strand (participates in β ladder)trans-99.3117.3-178.3-55.4-173.8-179.995.8-5.2110.2V102 Q133 E150 D152 I153V102-R104 HydrophobicContact CG1-CG 4.32Å; R104-Q133 CarbonylContact C-O 3.28Å; R104-Q133 WeakPolarHBondContact CA-O 3.41Å; R104-Q133 HydrophobicContact CG-CB 4.23Å; R104-E150 WeakPolarHBondContact CD-O 3.46Å; R104-D152 WeakPolarHBondContact CB-OD2 3.12Å; R104-D152 PolarHBondContact N-OD2 2.8Å; R104-D152 WeakPolarHBondContact O-CB 3.49Å; R104-D152 PolarHBondContact O-N 3.43Å; R104-I153 PolarHBondContact O-N 2.96Å; R104-I153 VanDerWaalsContact O-N 3.12Å
105V97.7Very high83.4Confident3 Ų347.9 Ų47.92%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-115.6119.9-177.6-174.70000109.5V103 L116 Q133 V134 A135 I153 I155 M297V103-V105 HydrophobicContact CG1-CG2 4.16Å; V105-L116 HydrophobicContact CG1-CD1 4.47Å; V105-L116 HydrophobicContact CG1-CD2 4.32Å; V105-Q133 PolarHBondContact N-O 3.37Å; V105-V134 HydrophobicContact CB-CG2 4.36Å; V105-V134 WeakPolarHBondContact O-CA 3.43Å; V105-A135 PolarHBondContact O-N 3.3Å; V105-I153 CarbonylContact C-O 3.52Å; V105-I153 WeakPolarHBondContact CA-O 3.08Å; V105-I153 HydrophobicContact CG2-CB 4.46Å; V105-I155 HydrophobicContact CG1-CG1 4.43Å; V105-M297 HydrophobicContact CG2-CE 4.34Å; V105-M297 HydrophobicContact CG2-CG 4.5Å
106G98.1Very high85.2Confident0 Ų040.4 Ų40.40%023%0.225CC..EExtended strand (participates in β ladder)trans-99.5135.1167.800000109.9A135 I153 G154 I155G106-A135 WeakPolarHBondContact CA-O 3.33Å; G106-I153 PolarHBondContact N-O 3.38Å; G106-G154 CarbonylContact O-C 3.51Å; G106-G154 VanDerWaalsContact O-CA 3.25Å; G106-G154 WeakPolarHBondContact O-CA 3.41Å; G106-I155 PolarHBondContact O-N 3.3Å
107A97.8Very high87.1Confident0 Ų034.6 Ų34.60%020%0.204CC..EExtended strand (participates in β ladder)trans-140.2148.8-179.800000112.7A112 L116 A135 T136 M137 I155A107-A112 HydrophobicContact CB-CB 3.77Å; A107-L116 HydrophobicContact CB-CD1 4Å; A107-A135 PolarHBondContact N-O 3.49Å; A107-T136 VanDerWaalsContact O-CA 3.23Å; A107-T136 WeakPolarHBondContact O-CA 3.4Å; A107-M137 PolarHBondContact O-N 3.44Å; A107-I155 CarbonylContact C-O 3.53Å; A107-I155 WeakPolarHBondContact CA-O 3.5Å; A107-I155 HydrophobicContact CB-CB 3.87Å; A107-I155 HydrophobicContact CB-CG1 4.4Å
108L95.9Very high88.8Confident14 Ų1434.5 Ų34.57%0.07319%0.194CC..  trans-60.6138.2165.5-69.8174000108.9T110 A111 A112 N139 I142 I155 I280L108-T110 VanDerWaalsContact C-N 3.3Å; L108-T110 PolarHBondContact O-N 3.02Å; L108-T110 VanDerWaalsContact O-N 3.16Å; L108-A111 HydrophobicContact CB-CB 4.02Å; L108-A111 PolarHBondContact O-N 3.14Å; L108-A111 VanDerWaalsContact O-N 3.14Å; L108-A112 WeakPolarHBondContact O-CB 3.3Å; L108-A112 PolarHBondContact O-N 3.18Å; L108-N139 HydrophobicContact CD2-CB 4.01Å; L108-I142 HydrophobicContact CD2-CD1 4.14Å; L108-I142 HydrophobicContact CG-CD1 4.03Å; L108-I155 PolarHBondContact N-O 3.1Å; L108-I280 HydrophobicContact CD1-CD1 3.95Å
109P94.5Very high90.7Very high18 Ų1829.2 Ų29.212%0.11717%0.166CC..Hα-helixtrans-53.9-41.9-171.7-29.335000114.7L113 M137 L234P109-L113 PolarHBondContact O-N 2.93Å; P109-M137 WeakPolarHBondContact CD-O 3.49Å; P109-L234 WeakPolarHBondContact CB-O 3.37Å; P109-L234 HydrophobicContact CG-CB 4.32Å
110T93.7Very high92.3Very high17 Ų1729.5 Ų29.510%0.10417%0.168CC..Hα-helixtrans-75.3-40.2-179.951.80000112.4L108 A112 L113 G114 P253 A256L108-T110 VanDerWaalsContact C-N 3.3Å; L108-T110 PolarHBondContact O-N 3.02Å; L108-T110 VanDerWaalsContact O-N 3.16Å; T110-A112 VanDerWaalsContact C-N 3.3Å; T110-A112 PolarHBondContact O-N 3.36Å; T110-L113 PolarHBondContact O-N 3.14Å; T110-G114 PolarHBondContact O-N 3.46Å; T110-G114 VanDerWaalsContact O-N 3.1Å; T110-P253 HydrophobicContact CG2-CG 4Å; T110-A256 HydrophobicContact CG2-CB 4.01Å
111A93.9Very high93.4Very high0 Ų025.1 Ų25.10%015%0.154CC..Hα-helixtrans-64.5-37175.500000111.3L108 L113 G114 I115 I155 I280L108-A111 HydrophobicContact CB-CB 4.02Å; L108-A111 PolarHBondContact O-N 3.14Å; L108-A111 VanDerWaalsContact O-N 3.14Å; A111-L113 VanDerWaalsContact C-N 3.35Å; A111-L113 PolarHBondContact O-N 3Å; A111-G114 PolarHBondContact O-N 3.2Å; A111-I115 HydrophobicContact CB-CD1 4.08Å; A111-I115 VanDerWaalsContact O-CB 3.29Å; A111-I115 WeakPolarHBondContact O-CB 3.41Å; A111-I115 WeakPolarHBondContact O-CD1 3.46Å; A111-I115 WeakPolarHBondContact O-CG1 3.41Å; A111-I115 PolarHBondContact O-N 3.37Å; A111-I155 HydrophobicContact CB-CG2 3.91Å; A111-I280 HydrophobicContact CB-CG2 4.19Å
112A94.7Very high93.9Very high10 Ų1028.6 Ų28.68%0.08317%0.169CC..Hα-helixtrans-56.1-49174.900000111.2A107 L108 T110 L116 P117 T136A107-A112 HydrophobicContact CB-CB 3.77Å; L108-A112 WeakPolarHBondContact O-CB 3.3Å; L108-A112 PolarHBondContact O-N 3.18Å; T110-A112 VanDerWaalsContact C-N 3.3Å; T110-A112 PolarHBondContact O-N 3.36Å; A112-L116 HydrophobicContact CB-CD1 3.95Å; A112-L116 VanDerWaalsContact O-CB 3.28Å; A112-L116 WeakPolarHBondContact O-CB 3.45Å; A112-L116 PolarHBondContact O-N 3.15Å; A112-P117 VanDerWaalsContact O-CD 3.25Å; A112-P117 WeakPolarHBondContact O-CD 3.34Å; A112-T136 HydrophobicContact CB-CG2 3.61Å
113L92.8Very high94.1Very high86 Ų8627.2 Ų27.245%0.4516%0.161SC..Hα-helixtrans-63-44.2177.1-69.4176000112.6P109 T110 A111 I115 P117 A236 A256P109-L113 PolarHBondContact O-N 2.93Å; T110-L113 PolarHBondContact O-N 3.14Å; A111-L113 VanDerWaalsContact C-N 3.35Å; A111-L113 PolarHBondContact O-N 3Å; L113-I115 VanDerWaalsContact C-N 3.33Å; L113-I115 PolarHBondContact O-N 2.87Å; L113-P117 WeakPolarHBondContact O-CD 3.44Å; L113-P117 WeakPolarHBondContact O-CG 3.46Å; L113-A236 HydrophobicContact CD1-CB 3.39Å; L113-A256 HydrophobicContact CD1-CB 4.45Å
114G90.8Very high94Very high18 Ų1830.8 Ų30.819%0.18618%0.177CC..Hα-helixtrans-76-16.3-174.400000115.5T110 A111 G255T110-G114 PolarHBondContact O-N 3.46Å; T110-G114 VanDerWaalsContact O-N 3.1Å; A111-G114 PolarHBondContact O-N 3.2Å; G114-G255 WeakPolarHBondContact CA-O 3.32Å
115I92.5Very high93.7Very high3 Ų333.6 Ų33.62%0.01519%0.194CC..Hα-helixtrans-122.4-56.5-171-60.5162.5000111.3A111 L113 S118 V119 I155 F173 I280 M305A111-I115 HydrophobicContact CB-CD1 4.08Å; A111-I115 VanDerWaalsContact O-CB 3.29Å; A111-I115 WeakPolarHBondContact O-CB 3.41Å; A111-I115 WeakPolarHBondContact O-CD1 3.46Å; A111-I115 WeakPolarHBondContact O-CG1 3.41Å; A111-I115 PolarHBondContact O-N 3.37Å; L113-I115 VanDerWaalsContact C-N 3.33Å; L113-I115 PolarHBondContact O-N 2.87Å; I115-S118 PolarHBondContact O-N 3.07Å; I115-S118 PolarHBondContact O-OG 2.77Å; I115-V119 HydrophobicContact CG2-CG2 3.72Å; I115-V119 WeakPolarHBondContact O-CG2 3.43Å; I115-V119 PolarHBondContact O-N 3.12Å; I115-I155 HydrophobicContact CD1-CG2 3.64Å; I115-F173 HydrophobicContact CD1-CE1 3.5Å; I115-F173 HydrophobicContact CD1-CZ 3.77Å; I115-F173 HydrophobicContact CG1-CE1 3.9Å; I115-F173 HydrophobicContact CG1-CZ 4.11Å; I115-I280 HydrophobicContact CD1-CG2 4.19Å; I115-M305 HydrophobicContact CB-CE 4.3Å; I115-M305 HydrophobicContact CG1-CE 4.06Å; I115-M305 HydrophobicContact CG2-CE 3.49Å; I115-M305 VanDerWaalsContact CG2-CE 3.49Å
116L94.7Very high93.1Very high7 Ų739.6 Ų39.64%0.03722%0.222CC..Hα-helixtrans-64.3-36.2-162.9-64.3-178.7000114.7V105 A107 A112 S118 V119 I120 V134 I155 M297V105-L116 HydrophobicContact CG1-CD1 4.47Å; V105-L116 HydrophobicContact CG1-CD2 4.32Å; A107-L116 HydrophobicContact CB-CD1 4Å; A112-L116 HydrophobicContact CB-CD1 3.95Å; A112-L116 VanDerWaalsContact O-CB 3.28Å; A112-L116 WeakPolarHBondContact O-CB 3.45Å; A112-L116 PolarHBondContact O-N 3.15Å; L116-S118 VanDerWaalsContact C-N 3.34Å; L116-S118 PolarHBondContact O-N 3.34Å; L116-V119 PolarHBondContact O-N 2.8Å; L116-I120 HydrophobicContact CB-CD1 3.94Å; L116-I120 HydrophobicContact CB-CG1 4.44Å; L116-I120 VanDerWaalsContact O-CB 3.24Å; L116-I120 WeakPolarHBondContact O-CB 3.41Å; L116-I120 WeakPolarHBondContact O-CG1 3.31Å; L116-I120 PolarHBondContact O-N 2.91Å; L116-V134 HydrophobicContact CD1-CG1 3.56Å; L116-I155 HydrophobicContact CD2-CG1 4.38Å; L116-M297 HydrophobicContact CD2-CE 4.05Å
117P94.1Very high92.4Very high80 Ų8041.8 Ų41.852%0.51923%0.232SC..Hα-helixtrans-55.3-47.9178.7-28.635.4000113.1A112 L113 G121A112-P117 VanDerWaalsContact O-CD 3.25Å; A112-P117 WeakPolarHBondContact O-CD 3.34Å; L113-P117 WeakPolarHBondContact O-CD 3.44Å; L113-P117 WeakPolarHBondContact O-CG 3.46Å; P117-G121 PolarHBondContact O-N 2.83Å
118S92Very high91.7Very high60 Ų6050.5 Ų50.542%0.4227%0.27SS..Hα-helixtrans-67.6-43.5179.767.70000112.3I115 L116 G121 Q122I115-S118 PolarHBondContact O-N 3.07Å; I115-S118 PolarHBondContact O-OG 2.77Å; L116-S118 VanDerWaalsContact C-N 3.34Å; L116-S118 PolarHBondContact O-N 3.34Å; S118-G121 PolarHBondContact O-N 3.25Å; S118-Q122 WeakPolarHBondContact O-CG 3.4Å; S118-Q122 PolarHBondContact O-N 2.81Å; S118-Q122 VanDerWaalsContact O-N 3.13Å
119V94.7Very high91.1Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-62.8-50.1178.9172.10000111.1I115 L116 G121 Q122 F123 M297 A300 I301 S304I115-V119 HydrophobicContact CG2-CG2 3.72Å; I115-V119 WeakPolarHBondContact O-CG2 3.43Å; I115-V119 PolarHBondContact O-N 3.12Å; L116-V119 PolarHBondContact O-N 2.8Å; V119-G121 VanDerWaalsContact C-N 3.34Å; V119-G121 PolarHBondContact O-N 2.87Å; V119-Q122 PolarHBondContact O-N 3.44Å; V119-F123 VanDerWaalsContact O-CB 3.29Å; V119-F123 WeakPolarHBondContact O-CB 3.38Å; V119-F123 PolarHBondContact O-N 2.82Å; V119-M297 HydrophobicContact CG1-CE 3.5Å; V119-M297 VanDerWaalsContact CG1-CE 3.5Å; V119-M297 HydrophobicContact CG1-SD 3.76Å; V119-A300 HydrophobicContact CG1-CB 3.95Å; V119-I301 HydrophobicContact CG1-CB 4.49Å; V119-I301 HydrophobicContact CG1-CG1 3.64Å; V119-I301 HydrophobicContact CG2-CG1 4.26Å; V119-S304 WeakPolarHBondContact CG2-OG 3.41Å
120I95.2Very high90.9Very high38 Ų3854.6 Ų54.620%0.19529%0.288CS..Hα-helixtrans-65-41.2-178.5-68172.1000110.1L116 Q122 F123 H124 L132 V134 M297L116-I120 HydrophobicContact CB-CD1 3.94Å; L116-I120 HydrophobicContact CB-CG1 4.44Å; L116-I120 VanDerWaalsContact O-CB 3.24Å; L116-I120 WeakPolarHBondContact O-CB 3.41Å; L116-I120 WeakPolarHBondContact O-CG1 3.31Å; L116-I120 PolarHBondContact O-N 2.91Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 2.97Å; I120-F123 PolarHBondContact O-N 3.24Å; I120-H124 PolarHBondContact O-N 3.44Å; I120-L132 HydrophobicContact CB-CD1 4.41Å; I120-L132 HydrophobicContact CD1-CD1 4.38Å; I120-L132 HydrophobicContact CG1-CD1 3.85Å; I120-L132 HydrophobicContact CG2-CD1 4Å; I120-V134 HydrophobicContact CD1-CG2 4.1Å; I120-M297 HydrophobicContact CG1-CE 4.1Å
121G92.4Very high90.7Very high40 Ų4057.2 Ų57.241%0.41230%0.304SS..Hα-helixtrans-56.1-44.3175.100000112.5P117 S118 V119 Q125P117-G121 PolarHBondContact O-N 2.83Å; S118-G121 PolarHBondContact O-N 3.25Å; V119-G121 VanDerWaalsContact C-N 3.34Å; V119-G121 PolarHBondContact O-N 2.87Å; G121-Q125 WeakPolarHBondContact O-CG 3.48Å
122Q90.8Very high90.7Very high84 Ų8458.7 Ų58.739%0.39331%0.312SS..Hα-helixtrans-72.3-40.6176-67.4177.120.100112.6S118 V119 I120 Q125S118-Q122 WeakPolarHBondContact O-CG 3.4Å; S118-Q122 PolarHBondContact O-N 2.81Å; S118-Q122 VanDerWaalsContact O-N 3.13Å; V119-Q122 PolarHBondContact O-N 3.44Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 2.97Å; Q122-Q125 WeakPolarHBondContact O-CB 3.49Å; Q122-Q125 PolarHBondContact O-N 3.5Å
123F91.9Very high90.7Very high4 Ų462.9 Ų62.92%0.01833%0.329CS..Hα-helixtrans-61.5-48.1-179175.7-94.2000112V119 I120 Q125 Q126 Q127 T130 L132 G293 L296 M297 A300V119-F123 VanDerWaalsContact O-CB 3.29Å; V119-F123 WeakPolarHBondContact O-CB 3.38Å; V119-F123 PolarHBondContact O-N 2.82Å; I120-F123 PolarHBondContact O-N 3.24Å; F123-Q125 PolarHBondContact O-N 3.16Å; F123-Q126 PolarHBondContact O-N 2.98Å; F123-Q127 HydrophobicContact CD1-CB 4.32Å; F123-Q127 HydrophobicContact CE1-CB 3.75Å; F123-Q127 HydrophobicContact CE2-CB 4.06Å; F123-Q127 HydrophobicContact CE2-CG 3.95Å; F123-Q127 HydrophobicContact CZ-CB 3.6Å; F123-Q127 HydrophobicContact CZ-CG 3.93Å; F123-Q127 PolarHBondContact O-N 3.35Å; F123-T130 HydrophobicContact CE1-CG2 3.98Å; F123-T130 HydrophobicContact CZ-CG2 3.84Å; F123-L132 HydrophobicContact CD1-CD1 3.76Å; F123-L132 HydrophobicContact CD1-CD2 4.22Å; F123-L132 HydrophobicContact CD1-CG 4.23Å; F123-L132 HydrophobicContact CE1-CD1 4.02Å; F123-L132 HydrophobicContact CE1-CD2 3.68Å; F123-L132 HydrophobicContact CE1-CG 3.97Å; F123-L132 HydrophobicContact CZ-CD2 4.16Å; F123-G293 WeakPolarHBondContact CE2-O 3.33Å; F123-L296 HydrophobicContact CD2-CB 4.31Å; F123-L296 HydrophobicContact CE2-CB 3.82Å; F123-M297 HydrophobicContact CB-SD 4.28Å; F123-M297 HydrophobicContact CD2-CB 4.14Å; F123-M297 HydrophobicContact CD2-SD 4.09Å; F123-M297 HydrophobicContact CE2-CB 3.98Å; F123-M297 HydrophobicContact CG-SD 4.06Å; F123-A300 HydrophobicContact CB-CB 4.39Å
124H90.6Very high90.9Very high75 Ų7561.9 Ų61.935%0.34733%0.327SS..Hα-helixtrans-68.2-18.4-179.6-75.9167.7000114I120 Q126 K128I120-H124 PolarHBondContact O-N 3.44Å; H124-Q126 PolarHBondContact O-N 2.95Å; H124-K128 VanDerWaalsContact O-CG 3.31Å; H124-K128 WeakPolarHBondContact O-CG 3.33Å
125Q88.5Confident91.2Very high148 Ų14863.2 Ų63.269%0.69234%0.336SS*.Hα-helixtrans-63.2-31.7169.6-69.6173.8900111.5G121 Q122 F123G121-Q125 WeakPolarHBondContact O-CG 3.48Å; Q122-Q125 WeakPolarHBondContact O-CB 3.49Å; Q122-Q125 PolarHBondContact O-N 3.5Å; F123-Q125 PolarHBondContact O-N 3.16Å
126Q84.8Confident91.3Very high129 Ų12967.1 Ų67.160%0.60336%0.36SS*.Hα-helixtrans-100.1-29.6-176.7-60.1177.412.200113F123 H124F123-Q126 PolarHBondContact O-N 2.98Å; H124-Q126 PolarHBondContact O-N 2.95Å
127Q84.8Confident91.3Very high46 Ų4668.1 Ų68.122%0.21537%0.365CS..  trans-129.769.8-172-66.1-59.4-41.800111.7F123 E129 T130 L296F123-Q127 HydrophobicContact CD1-CB 4.32Å; F123-Q127 HydrophobicContact CE1-CB 3.75Å; F123-Q127 HydrophobicContact CE2-CB 4.06Å; F123-Q127 HydrophobicContact CE2-CG 3.95Å; F123-Q127 HydrophobicContact CZ-CB 3.6Å; F123-Q127 HydrophobicContact CZ-CG 3.93Å; F123-Q127 PolarHBondContact O-N 3.35Å; Q127-E129 VanDerWaalsContact C-N 3.3Å; Q127-E129 PolarHBondContact O-N 3.37Å; Q127-T130 PolarHBondContact O-N 3.02Å; Q127-L296 VanDerWaalsContact CD-CD1 3.42Å; Q127-L296 HydrophobicContact CG-CD1 3.52Å
128K82Confident91.3Very high184 Ų18466 Ų6680%0.835%0.352SS*.THydrogen-bonded Turntrans-66.7-25.7-173-65.8-178.5-179.1-179.90115H124H124-K128 VanDerWaalsContact O-CG 3.31Å; H124-K128 WeakPolarHBondContact O-CG 3.33Å
129E84.6Confident91.5Very high112 Ų11263.8 Ų63.852%0.52334%0.336SS..THydrogen-bonded Turntrans-97.2-8.4-175.5-63.3-177.7178.600113.2N99 Q127 T131N99-E129 HydrophobicContact CB-CB 4.27Å; N99-E129 WeakPolarHBondContact CB-OE2 3.42Å; N99-E129 PolarHBondContact N-OE2 3.39Å; N99-E129 VanDerWaalsContact N-OE2 3.11Å; Q127-E129 VanDerWaalsContact C-N 3.3Å; Q127-E129 PolarHBondContact O-N 3.37Å; E129-T131 PolarHBondContact O-N 3.04Å
130T88.4Confident91.4Very high6 Ų667.7 Ų67.74%0.03736%0.361CS..PPolyproline II helixtrans-74.2128.2-179.9-61.10000109.9D101 V103 F123 Q127 L132D101-T130 HydrophobicContact CB-CG2 4.26Å; V103-T130 HydrophobicContact CG2-CG2 3.81Å; F123-T130 HydrophobicContact CE1-CG2 3.98Å; F123-T130 HydrophobicContact CZ-CG2 3.84Å; Q127-T130 PolarHBondContact O-N 3.02Å; T130-L132 HydrophobicContact CG2-CD2 4.2Å
131T90.6Very high91.4Very high72 Ų7271 Ų7144%0.44238%0.377SS..EExtended strand (participates in β ladder)trans-82.8117171.9-61.80000109.5D101 V102 V103 E129 Q133D101-T131 PolarHBondContact O-N 3.49Å; V102-T131 VanDerWaalsContact CA-O 3.3Å; V102-T131 WeakPolarHBondContact CA-O 3.31Å; V102-T131 HydrophobicContact CG1-CG2 4.47Å; V103-T131 PolarHBondContact N-O 3.49Å; E129-T131 PolarHBondContact O-N 3.04Å; T131-Q133 HydrophobicContact CG2-CG 4.35Å
132L94Very high91.6Very high31 Ų3169.1 Ų69.116%0.16236%0.358CS..EExtended strand (participates in β ladder)trans-92118.2169.9-62.9-174.2000110.1V103 I120 F123 T130 V134 M297V103-L132 HydrophobicContact CB-CD2 3.75Å; V103-L132 HydrophobicContact CG1-CD2 4.34Å; V103-L132 HydrophobicContact CG2-CD2 4.33Å; I120-L132 HydrophobicContact CB-CD1 4.41Å; I120-L132 HydrophobicContact CD1-CD1 4.38Å; I120-L132 HydrophobicContact CG1-CD1 3.85Å; I120-L132 HydrophobicContact CG2-CD1 4Å; F123-L132 HydrophobicContact CD1-CD1 3.76Å; F123-L132 HydrophobicContact CD1-CD2 4.22Å; F123-L132 HydrophobicContact CD1-CG 4.23Å; F123-L132 HydrophobicContact CE1-CD1 4.02Å; F123-L132 HydrophobicContact CE1-CD2 3.68Å; F123-L132 HydrophobicContact CE1-CG 3.97Å; F123-L132 HydrophobicContact CZ-CD2 4.16Å; T130-L132 HydrophobicContact CG2-CD2 4.2Å; L132-V134 HydrophobicContact CB-CG2 4.37Å; L132-M297 HydrophobicContact CD1-SD 4.46Å
133Q95.1Very high91.9Very high97 Ų9765.4 Ų65.445%0.45334%0.34SS..EExtended strand (participates in β ladder)trans-98.5107.1169.3-68.9-176.8-15.400108.2V102 V103 R104 V105 T131V102-Q133 HydrophobicContact CG1-CG 3.83Å; V103-Q133 PolarHBondContact O-N 2.9Å; R104-Q133 CarbonylContact C-O 3.28Å; R104-Q133 WeakPolarHBondContact CA-O 3.41Å; R104-Q133 HydrophobicContact CG-CB 4.23Å; V105-Q133 PolarHBondContact N-O 3.37Å; T131-Q133 HydrophobicContact CG2-CG 4.35Å
134V96.4Very high91.9Very high65 Ų6567.6 Ų67.639%0.39436%0.359SS..EExtended strand (participates in β ladder)trans-110.3127.6-177.9-176.50000109.5V105 L116 I120 L132V105-V134 HydrophobicContact CB-CG2 4.36Å; V105-V134 WeakPolarHBondContact O-CA 3.43Å; L116-V134 HydrophobicContact CD1-CG1 3.56Å; I120-V134 HydrophobicContact CD1-CG2 4.1Å; L132-V134 HydrophobicContact CB-CG2 4.37Å
135A96.3Very high92.1Very high46 Ų4664.1 Ų64.138%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-128.7141.2173.900000110.5V105 G106 A107 M137V105-A135 PolarHBondContact O-N 3.3Å; G106-A135 WeakPolarHBondContact CA-O 3.33Å; A107-A135 PolarHBondContact N-O 3.49Å; A135-M137 HydrophobicContact CB-CE 3.44Å; A135-M137 VanDerWaalsContact CB-CE 3.44Å
136T96.1Very high92.4Very high85 Ų8557.1 Ų57.152%0.52131%0.311SS..EExtended strand (participates in β ladder)trans-101.2135.2172.961.10000110.2A107 A112A107-T136 VanDerWaalsContact O-CA 3.23Å; A107-T136 WeakPolarHBondContact O-CA 3.4Å; A112-T136 HydrophobicContact CB-CG2 3.61Å
137M94.4Very high92.8Very high29 Ų2952.4 Ų52.414%0.14329%0.288CS..  trans-160.5171.8-175.466.2-161.375.800111.6A107 P109 A135 M141 I142 I151A107-M137 PolarHBondContact O-N 3.44Å; P109-M137 WeakPolarHBondContact CD-O 3.49Å; A135-M137 HydrophobicContact CB-CE 3.44Å; A135-M137 VanDerWaalsContact CB-CE 3.44Å; M137-M141 HydrophobicContact CB-CB 3.91Å; M137-M141 HydrophobicContact CB-CE 4.03Å; M137-M141 HydrophobicContact CB-SD 4.13Å; M137-M141 HydrophobicContact CG-CB 3.77Å; M137-M141 HydrophobicContact SD-CB 3.86Å; M137-I142 HydrophobicContact CG-CD1 4.41Å; M137-I142 HydrophobicContact CG-CG1 3.46Å; M137-I142 VanDerWaalsContact CG-CG1 3.46Å; M137-I142 HydrophobicContact SD-CG1 4.09Å; M137-I151 HydrophobicContact CE-CD1 3.85Å; M137-I151 HydrophobicContact SD-CD1 3.55Å; M137-I151 VanDerWaalsContact SD-CD1 3.55Å
138S94.1Very high93.1Very high36 Ų3650.7 Ų50.725%0.25228%0.281SS..  trans-70158.217667.50000111.9M141 I142S138-M141 WeakPolarHBondContact O-CB 3.34Å; S138-M141 PolarHBondContact O-N 2.87Å; S138-M141 WeakPolarHBondContact OG-CG 3.4Å; S138-I142 WeakPolarHBondContact O-CG1 3.23Å; S138-I142 PolarHBondContact O-N 3.07Å; S138-I142 VanDerWaalsContact O-N 3.08Å
139N95.4Very high93.5Very high12 Ų1242.5 Ų42.56%0.06425%0.249CC..Hα-helixtrans-55.8-45.7-178.7-154.465.2000113.2L108 M141 I142 L143 G156 R157 S159L108-N139 HydrophobicContact CD2-CB 4.01Å; N139-M141 PolarHBondContact O-N 3.38Å; N139-I142 WeakPolarHBondContact O-CB 3.3Å; N139-I142 PolarHBondContact O-N 3.32Å; N139-L143 WeakPolarHBondContact O-CG 3.42Å; N139-L143 PolarHBondContact O-N 3.48Å; N139-G156 WeakPolarHBondContact OD1-CA 3.39Å; N139-R157 HydrophobicContact CB-CG 4.18Å; N139-R157 VanDerWaalsContact CG-CG 3.43Å; N139-R157 WeakPolarHBondContact ND2-CG 3.35Å; N139-R157 PolarHBondContact ND2-O 2.89Å; N139-R157 WeakPolarHBondContact OD1-CG 2.95Å; N139-R157 PolarHBondContact OD1-N 3.04Å; N139-S159 PolarHBondContact ND2-OG 2.85Å
140P93.6Very high93.7Very high82 Ų8241.1 Ų41.153%0.53224%0.242SC..Hα-helixtrans-57.7-36.1177.1-26.436.7000113.3L143 A144P140-L143 PolarHBondContact O-N 2.85Å; P140-A144 WeakPolarHBondContact O-CB 3.34Å; P140-A144 PolarHBondContact O-N 2.82Å
141M94.1Very high94Very high109 Ų10941.3 Ų41.354%0.53724%0.243SC..Hα-helixtrans-69.3-36.3175.7-69.6-179.86300112.5M137 S138 N139 A144 G145M137-M141 HydrophobicContact CB-CB 3.91Å; M137-M141 HydrophobicContact CB-CE 4.03Å; M137-M141 HydrophobicContact CB-SD 4.13Å; M137-M141 HydrophobicContact CG-CB 3.77Å; M137-M141 HydrophobicContact SD-CB 3.86Å; S138-M141 WeakPolarHBondContact O-CB 3.34Å; S138-M141 PolarHBondContact O-N 2.87Å; S138-M141 WeakPolarHBondContact OG-CG 3.4Å; N139-M141 PolarHBondContact O-N 3.38Å; M141-A144 PolarHBondContact O-N 3.07Å; M141-G145 PolarHBondContact O-N 3.04Å
142I97.2Very high94.2Very high0 Ų039.6 Ų39.60%023%0.231CC..Hα-helixtrans-61.5-48.8173.4-60.2172.6000109.8L108 M137 S138 N139 A144 G145 L146 L283L108-I142 HydrophobicContact CD2-CD1 4.14Å; L108-I142 HydrophobicContact CG-CD1 4.03Å; M137-I142 HydrophobicContact CG-CD1 4.41Å; M137-I142 HydrophobicContact CG-CG1 3.46Å; M137-I142 VanDerWaalsContact CG-CG1 3.46Å; M137-I142 HydrophobicContact SD-CG1 4.09Å; S138-I142 WeakPolarHBondContact O-CG1 3.23Å; S138-I142 PolarHBondContact O-N 3.07Å; S138-I142 VanDerWaalsContact O-N 3.08Å; N139-I142 WeakPolarHBondContact O-CB 3.3Å; N139-I142 PolarHBondContact O-N 3.32Å; I142-A144 PolarHBondContact O-N 3.06Å; I142-G145 PolarHBondContact O-N 3.45Å; I142-L146 HydrophobicContact CG2-CD1 3.98Å; I142-L146 WeakPolarHBondContact O-CB 3.47Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.38Å; I142-L283 HydrophobicContact CG2-CD1 4.17Å
143L96.3Very high94.4Very high5 Ų538.1 Ų38.13%0.02622%0.224CC..Hα-helixtrans-62.3-43.8179.9-59.1-177.8000111.6N139 P140 L146 K147 L163 M164 L167 L283N139-L143 WeakPolarHBondContact O-CG 3.42Å; N139-L143 PolarHBondContact O-N 3.48Å; P140-L143 PolarHBondContact O-N 2.85Å; L143-L146 PolarHBondContact O-N 2.86Å; L143-K147 WeakPolarHBondContact O-CG 3.48Å; L143-K147 PolarHBondContact O-N 3.49Å; L143-L163 HydrophobicContact CD1-CB 3.94Å; L143-M164 HydrophobicContact CD1-SD 4.19Å; L143-M164 HydrophobicContact CD2-SD 3.9Å; L143-L167 HydrophobicContact CB-CD1 4.1Å; L143-L167 HydrophobicContact CD2-CD1 3.61Å; L143-L167 HydrophobicContact CG-CD1 4.39Å; L143-L283 HydrophobicContact CD2-CD1 3.75Å; L143-L283 HydrophobicContact CD2-CD2 3.9Å; L143-L283 HydrophobicContact CD2-CG 4.39Å
144A92.7Very high94.5Very high50 Ų5033.5 Ų33.541%0.41320%0.202SC..Hα-helixtrans-62.3-48.9176.200000111.7P140 M141 I142 L146 K147 T148P140-A144 WeakPolarHBondContact O-CB 3.34Å; P140-A144 PolarHBondContact O-N 2.82Å; M141-A144 PolarHBondContact O-N 3.07Å; I142-A144 PolarHBondContact O-N 3.06Å; A144-L146 VanDerWaalsContact C-N 3.3Å; A144-L146 PolarHBondContact O-N 3.36Å; A144-K147 PolarHBondContact O-N 3Å; A144-K147 VanDerWaalsContact O-N 3.1Å; A144-T148 WeakPolarHBondContact O-CG2 3.38Å; A144-T148 PolarHBondContact O-N 3.5Å; A144-T148 PolarHBondContact O-OG1 3.19Å; A144-T148 VanDerWaalsContact O-OG1 3.14Å
145G94.5Very high94.6Very high3 Ų330.4 Ų30.43%0.03118%0.183CC..Hα-helixtrans-63.2-33.9179.400000113.2M141 I142 T148 G149 E150 I151M141-G145 PolarHBondContact O-N 3.04Å; I142-G145 PolarHBondContact O-N 3.45Å; G145-T148 WeakPolarHBondContact CA-OG1 3.36Å; G145-T148 PolarHBondContact O-OG1 3.06Å; G145-G149 CarbonylContact O-C 3.57Å; G145-G149 PolarHBondContact O-N 2.93Å; G145-G149 VanDerWaalsContact O-N 3.07Å; G145-E150 PolarHBondContact O-N 2.99Å; G145-I151 PolarHBondContact O-N 3.1Å
146L95.4Very high94.6Very high0 Ų028.2 Ų28.20%017%0.165CC..Hα-helixtrans-64.9-48.6170.5-75.6166.3000111.1I142 L143 A144 T148 G149 I151 L167 L283 R285I142-L146 HydrophobicContact CG2-CD1 3.98Å; I142-L146 WeakPolarHBondContact O-CB 3.47Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.39Å; I142-L146 PolarHBondContact O-N 3.38Å; L143-L146 PolarHBondContact O-N 2.86Å; A144-L146 VanDerWaalsContact C-N 3.3Å; A144-L146 PolarHBondContact O-N 3.36Å; L146-T148 VanDerWaalsContact C-N 3.3Å; L146-T148 PolarHBondContact O-N 2.99Å; L146-G149 PolarHBondContact O-N 3.3Å; L146-I151 HydrophobicContact CD2-CB 4.27Å; L146-I151 HydrophobicContact CD2-CG2 3.88Å; L146-I151 HydrophobicContact CG-CB 4.31Å; L146-I151 HydrophobicContact CG-CG2 4.14Å; L146-L167 HydrophobicContact CB-CD2 3.81Å; L146-L167 HydrophobicContact CD1-CD2 4.45Å; L146-L283 HydrophobicContact CD1-CB 3.47Å; L146-L283 VanDerWaalsContact CD1-CB 3.47Å; L146-R285 VanDerWaalsContact O-CD 3.22Å; L146-R285 WeakPolarHBondContact O-CD 3.35Å
147K92.6Very high94.5Very high30 Ų3025.5 Ų25.513%0.1315%0.145CC..Hα-helixtrans-61.4-36.9179.5-74.6178.8177.7-1760112.3L75 L143 A144 L163 T165 L167L75-K147 HydrophobicContact CD2-CB 4.09Å; L143-K147 WeakPolarHBondContact O-CG 3.48Å; L143-K147 PolarHBondContact O-N 3.49Å; A144-K147 PolarHBondContact O-N 3Å; A144-K147 VanDerWaalsContact O-N 3.1Å; K147-L163 WeakPolarHBondContact CE-O 3.39Å; K147-L163 PolarHBondContact NZ-O 3.29Å; K147-T165 VanDerWaalsContact CE-O 3.31Å; K147-T165 WeakPolarHBondContact CE-O 3.39Å; K147-L167 HydrophobicContact CG-CD1 4.38Å; K147-L167 HydrophobicContact CG-CD2 4.24Å; K147-L167 HydrophobicContact CG-CG 4.41Å
148T90.6Very high94.5Very high10 Ų1030 Ų306%0.06117%0.167CC..Hα-helixtrans-83.4-9.3178.860.70000114A23 Q24 L75 V79 A144 G145 L146 E150A23-T148 HydrophobicContact CB-CG2 4.35Å; Q24-T148 HydrophobicContact CG-CG2 3.76Å; Q24-T148 PolarHBondContact NE2-O 2.83Å; L75-T148 HydrophobicContact CD2-CG2 4.2Å; V79-T148 WeakPolarHBondContact CG2-O 3.47Å; A144-T148 WeakPolarHBondContact O-CG2 3.38Å; A144-T148 PolarHBondContact O-N 3.5Å; A144-T148 PolarHBondContact O-OG1 3.19Å; A144-T148 VanDerWaalsContact O-OG1 3.14Å; G145-T148 WeakPolarHBondContact CA-OG1 3.36Å; G145-T148 PolarHBondContact O-OG1 3.06Å; L146-T148 VanDerWaalsContact C-N 3.3Å; L146-T148 PolarHBondContact O-N 2.99Å; T148-E150 VanDerWaalsContact C-N 3.29Å; T148-E150 WeakPolarHBondContact OG1-CG 3.43Å; T148-E150 PolarHBondContact OG1-OE2 3.03Å; T148-E150 VanDerWaalsContact OG1-OE2 3.14Å
149G90.2Very high94.4Very high12 Ų1229.8 Ų29.812%0.12417%0.166CC..THydrogen-bonded Turntrans75.812.2-175.900000114.6G145 L146G145-G149 CarbonylContact O-C 3.57Å; G145-G149 PolarHBondContact O-N 2.93Å; G145-G149 VanDerWaalsContact O-N 3.07Å; L146-G149 PolarHBondContact O-N 3.3Å
150E90.7Very high94.2Very high83 Ų8334.7 Ų34.739%0.38819%0.192SC..SBendtrans-71.7-23.4170.7-68.6176140.300112Q24 R104 G145 T148Q24-E150 WeakPolarHBondContact CB-OE1 3.22Å; Q24-E150 HydrophobicContact CG-CG 4.03Å; Q24-E150 WeakPolarHBondContact CG-OE1 3.47Å; R104-E150 WeakPolarHBondContact CD-O 3.46Å; G145-E150 PolarHBondContact O-N 2.99Å; T148-E150 VanDerWaalsContact C-N 3.29Å; T148-E150 WeakPolarHBondContact OG1-CG 3.43Å; T148-E150 PolarHBondContact OG1-OE2 3.03Å; T148-E150 VanDerWaalsContact OG1-OE2 3.14Å
151I94.9Very high94Very high10 Ų1036 Ų365%0.05120%0.201CC..  trans-124.6137.5178.3-61167.3000108.6M137 G145 L146 I153M137-I151 HydrophobicContact CE-CD1 3.85Å; M137-I151 HydrophobicContact SD-CD1 3.55Å; M137-I151 VanDerWaalsContact SD-CD1 3.55Å; G145-I151 PolarHBondContact O-N 3.1Å; L146-I151 HydrophobicContact CD2-CB 4.27Å; L146-I151 HydrophobicContact CD2-CG2 3.88Å; L146-I151 HydrophobicContact CG-CB 4.31Å; L146-I151 HydrophobicContact CG-CG2 4.14Å; I151-I153 WeakPolarHBondContact CG2-O 3.48Å
152D94.7Very high93.7Very high36 Ų3638.3 Ų38.319%0.19321%0.21CC..SBendtrans-91.9-40.7175-58-58.5000111.3R104R104-D152 WeakPolarHBondContact CB-OD2 3.12Å; R104-D152 PolarHBondContact N-OD2 2.8Å; R104-D152 WeakPolarHBondContact O-CB 3.49Å; R104-D152 PolarHBondContact O-N 3.43Å
153I97.4Very high93.3Very high0 Ų041.9 Ų41.90%023%0.229CC..EExtended strand (participates in β ladder)trans-130.5125.5-177.3-52.8168.1000109.6V103 R104 V105 G106 I151 I155 I282 C294 M297 I298 I301V103-I153 HydrophobicContact CG1-CD1 3.92Å; R104-I153 PolarHBondContact O-N 2.96Å; R104-I153 VanDerWaalsContact O-N 3.12Å; V105-I153 CarbonylContact C-O 3.52Å; V105-I153 WeakPolarHBondContact CA-O 3.08Å; V105-I153 HydrophobicContact CG2-CB 4.46Å; G106-I153 PolarHBondContact N-O 3.38Å; I151-I153 WeakPolarHBondContact CG2-O 3.48Å; I153-I155 HydrophobicContact CG2-CD1 4.42Å; I153-I282 HydrophobicContact CG2-CG2 3.89Å; I153-C294 VanDerWaalsContact CG1-SG 3.54Å; I153-M297 HydrophobicContact CD1-CB 3.81Å; I153-M297 HydrophobicContact CD1-CG 3.7Å; I153-I298 HydrophobicContact CD1-CD1 4.44Å; I153-I298 HydrophobicContact CD1-CG1 3.73Å; I153-I298 HydrophobicContact CG1-CD1 4.35Å; I153-I298 HydrophobicContact CG1-CG1 4.03Å; I153-I301 HydrophobicContact CG2-CD1 4.06Å
154G97.8Very high93.1Very high0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-100.1136.4170.200000111.7G106 I282 L283G106-G154 CarbonylContact O-C 3.51Å; G106-G154 VanDerWaalsContact O-CA 3.25Å; G106-G154 WeakPolarHBondContact O-CA 3.41Å; G154-I282 CarbonylContact O-C 3.6Å; G154-I282 WeakPolarHBondContact O-CA 3.4Å; G154-L283 PolarHBondContact N-O 3.06Å; G154-L283 PolarHBondContact O-N 2.82Å
155I97.6Very high93Very high0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-109.6100.5164.7-55.5-60.4000107.5V105 G106 A107 L108 A111 I115 L116 I153 I280 I282 I301V105-I155 HydrophobicContact CG1-CG1 4.43Å; G106-I155 PolarHBondContact O-N 3.3Å; A107-I155 CarbonylContact C-O 3.53Å; A107-I155 WeakPolarHBondContact CA-O 3.5Å; A107-I155 HydrophobicContact CB-CB 3.87Å; A107-I155 HydrophobicContact CB-CG1 4.4Å; L108-I155 PolarHBondContact N-O 3.1Å; A111-I155 HydrophobicContact CB-CG2 3.91Å; I115-I155 HydrophobicContact CD1-CG2 3.64Å; L116-I155 HydrophobicContact CD2-CG1 4.38Å; I153-I155 HydrophobicContact CG2-CD1 4.42Å; I155-I280 HydrophobicContact CG2-CG2 4.25Å; I155-I282 HydrophobicContact CD1-CG1 4.22Å; I155-I301 HydrophobicContact CD1-CD1 3.83Å; I155-I301 HydrophobicContact CD1-CG1 4.46Å; I155-I301 HydrophobicContact CD1-CG2 4.13Å
156G96.8Very high92.7Very high0 Ų044.5 Ų44.50%024%0.243CC..EExtended strand (participates in β ladder)trans-158-148.9-168.600000111.9N139 I280 G281N139-G156 WeakPolarHBondContact OD1-CA 3.39Å; G156-I280 WeakPolarHBondContact O-CA 3.43Å; G156-G281 PolarHBondContact N-O 2.84Å; G156-G281 PolarHBondContact O-N 3.49Å
157R94.6Very high92.7Very high28 Ų2845.2 Ų45.211%0.10625%0.247CC..  trans-131.4159.8-176.659.9-173.264.1177.9-10.8111.3N139 A210 P279N139-R157 HydrophobicContact CB-CG 4.18Å; N139-R157 VanDerWaalsContact CG-CG 3.43Å; N139-R157 WeakPolarHBondContact ND2-CG 3.35Å; N139-R157 PolarHBondContact ND2-O 2.89Å; N139-R157 WeakPolarHBondContact OD1-CG 2.95Å; N139-R157 PolarHBondContact OD1-N 3.04Å; R157-A210 VanDerWaalsContact NH1-CA 3.26Å; R157-P279 WeakPolarHBondContact CB-O 3.45Å
158M93.9Very high92.8Very high123 Ų12347.2 Ų47.261%0.60626%0.259SS*.  trans-58.9146.3164.9-161.5172.280.600109.7M164 Y169M158-M164 HydrophobicContact CG-CG 4.49Å; M158-Y169 HydrophobicContact CB-CD1 4.31Å; M158-Y169 HydrophobicContact CB-CD2 4.45Å; M158-Y169 HydrophobicContact CB-CE1 4.34Å; M158-Y169 HydrophobicContact CB-CE2 4.47Å; M158-Y169 HydrophobicContact CB-CG 4.36Å
159S92.3Very high93.1Very high32 Ų3249.7 Ų49.722%0.22427%0.268CS..  trans-131.2-176174.2-64.70000109N139 M164N139-S159 PolarHBondContact ND2-OG 2.85Å; S159-M164 WeakPolarHBondContact O-CG 3.33Å
160D90.2Very high93.4Very high115 Ų11552.3 Ų52.362%0.61528%0.277SS*.  trans-50.9142.6177.4-60.7-37.9000111.2E162 L163 M164D160-E162 PolarHBondContact O-N 3.05Å; D160-L163 PolarHBondContact O-N 3.08Å; D160-M164 PolarHBondContact O-N 3.06Å
161P88.8Confident93.6Very high110 Ų11053 Ų5371%0.71428%0.282SS*.THydrogen-bonded Turntrans-50.1-36.4-175.7-30.735.9000114.2L163 M164 T165P161-L163 PolarHBondContact O-N 3.24Å; P161-M164 PolarHBondContact O-N 2.87Å; P161-M164 VanDerWaalsContact O-N 3.16Å; P161-T165 PolarHBondContact O-N 2.92Å
162E87.6Confident93.5Very high158 Ų15853.4 Ų53.474%0.73829%0.285SS*.THydrogen-bonded Turntrans-59.5-46.5177.8-61.8178.6-177.100111.9D160 M164 T165D160-E162 PolarHBondContact O-N 3.05Å; E162-M164 VanDerWaalsContact C-N 3.25Å; E162-M164 PolarHBondContact O-N 3.44Å; E162-T165 PolarHBondContact O-N 3.01Å; E162-T165 PolarHBondContact O-OG1 3.05Å
163L88.9Confident93.4Very high74 Ų7453.1 Ų53.139%0.38728%0.282SS..THydrogen-bonded Turntrans-68.9-25.7177.9-64.4177.8000112.4L143 K147 D160 P161L143-L163 HydrophobicContact CD1-CB 3.94Å; K147-L163 WeakPolarHBondContact CE-O 3.39Å; K147-L163 PolarHBondContact NZ-O 3.29Å; D160-L163 PolarHBondContact O-N 3.08Å; P161-L163 PolarHBondContact O-N 3.24Å
164M93.5Very high93.1Very high23 Ų2357.4 Ų57.411%0.11330%0.304CS..THydrogen-bonded Turntrans-85.8-3.8-179.2-64.5-61-56.700114.2L143 M158 S159 D160 P161 E162 G166 L167 L283L143-M164 HydrophobicContact CD1-SD 4.19Å; L143-M164 HydrophobicContact CD2-SD 3.9Å; M158-M164 HydrophobicContact CG-CG 4.49Å; S159-M164 WeakPolarHBondContact O-CG 3.33Å; D160-M164 PolarHBondContact O-N 3.06Å; P161-M164 PolarHBondContact O-N 2.87Å; P161-M164 VanDerWaalsContact O-N 3.16Å; E162-M164 VanDerWaalsContact C-N 3.25Å; E162-M164 PolarHBondContact O-N 3.44Å; M164-G166 PolarHBondContact O-N 3.01Å; M164-L167 HydrophobicContact CE-CB 4.2Å; M164-L167 WeakPolarHBondContact O-CB 3.25Å; M164-L167 PolarHBondContact O-N 3.38Å; M164-L283 HydrophobicContact CE-CD2 3.49Å; M164-L283 VanDerWaalsContact CE-CD2 3.49Å; M164-L283 HydrophobicContact SD-CD2 4.13Å
165T89.4Confident92.8Very high67 Ų6757.7 Ų57.741%0.41131%0.305SS..THydrogen-bonded Turntrans-52.8125.4178.2-56.20000111.8K147 P161 E162 L167K147-T165 VanDerWaalsContact CE-O 3.31Å; K147-T165 WeakPolarHBondContact CE-O 3.39Å; P161-T165 PolarHBondContact O-N 2.92Å; E162-T165 PolarHBondContact O-N 3.01Å; E162-T165 PolarHBondContact O-OG1 3.05Å; T165-L167 VanDerWaalsContact C-N 3.28Å; T165-L167 PolarHBondContact O-N 2.9Å
166G89.2Confident92.6Very high23 Ų2359.8 Ų59.824%0.23732%0.32CS..THydrogen-bonded Turntrans78.94.5179.600000115M164 R285 V286M164-G166 PolarHBondContact O-N 3.01Å; G166-R285 WeakPolarHBondContact O-CA 3.45Å; G166-V286 VanDerWaalsContact C-CG2 3.5Å; G166-V286 WeakPolarHBondContact O-CG2 3.41Å; G166-V286 PolarHBondContact O-N 3.45Å
167L95Very high92.5Very high15 Ų1560.7 Ų60.78%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-113.7144.3179-56.2178.9000111.6L143 L146 K147 M164 T165 T284 R285L143-L167 HydrophobicContact CB-CD1 4.1Å; L143-L167 HydrophobicContact CD2-CD1 3.61Å; L143-L167 HydrophobicContact CG-CD1 4.39Å; L146-L167 HydrophobicContact CB-CD2 3.81Å; L146-L167 HydrophobicContact CD1-CD2 4.45Å; K147-L167 HydrophobicContact CG-CD1 4.38Å; K147-L167 HydrophobicContact CG-CD2 4.24Å; K147-L167 HydrophobicContact CG-CG 4.41Å; M164-L167 HydrophobicContact CE-CB 4.2Å; M164-L167 WeakPolarHBondContact O-CB 3.25Å; M164-L167 PolarHBondContact O-N 3.38Å; T165-L167 VanDerWaalsContact C-N 3.28Å; T165-L167 PolarHBondContact O-N 2.9Å; L167-T284 CarbonylContact C-O 3.47Å; L167-T284 VanDerWaalsContact CA-O 3.24Å; L167-T284 WeakPolarHBondContact CA-O 3.42Å; L167-R285 HydrophobicContact CD2-CG 4.1Å
168N95.2Very high92.5Very high73 Ų7362.9 Ų62.939%0.3934%0.335SS..EExtended strand (participates in β ladder)trans-96.2143.1167.5-79.7-19.7000109.5L283 T284 V286N168-L283 WeakPolarHBondContact O-CA 3.49Å; N168-T284 PolarHBondContact N-O 3.14Å; N168-T284 PolarHBondContact O-N 2.75Å; N168-T284 VanDerWaalsContact O-N 3.07Å; N168-V286 WeakPolarHBondContact OD1-CG2 3.4Å
169Y96.8Very high92.7Very high62 Ų6257.3 Ų57.324%0.24331%0.307CS..EExtended strand (participates in β ladder)trans-123.2130.6171.2178.7-99.7000110.1M158 L171 P279 G281 I282 L283M158-Y169 HydrophobicContact CB-CD1 4.31Å; M158-Y169 HydrophobicContact CB-CD2 4.45Å; M158-Y169 HydrophobicContact CB-CE1 4.34Å; M158-Y169 HydrophobicContact CB-CE2 4.47Å; M158-Y169 HydrophobicContact CB-CG 4.36Å; Y169-L171 HydrophobicContact CE1-CB 4.21Å; Y169-P279 VanDerWaalsContact OH-C 3.27Å; Y169-P279 WeakPolarHBondContact OH-CB 3.3Å; Y169-P279 PolarHBondContact OH-O 3.18Å; Y169-G281 PolarHBondContact OH-N 3.21Å; Y169-I282 WeakPolarHBondContact CA-O 3.29Å; Y169-L283 HydrophobicContact CD2-CD2 3.68Å; Y169-L283 HydrophobicContact CD2-CG 4.06Å; Y169-L283 HydrophobicContact CG-CD2 4.42Å
170E95.5Very high93Very high67 Ų6755.8 Ų55.831%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-122117.8173.5178.7-177.6155.700108.8L172 G281 I282 R302E170-L172 PolarHBondContact O-N 2.81Å; E170-G281 CarbonylContact O-C 3.58Å; E170-G281 WeakPolarHBondContact O-CA 3.28Å; E170-I282 HydrophobicContact CB-CB 4.41Å; E170-I282 PolarHBondContact N-O 3.42Å; E170-I282 PolarHBondContact O-N 3.18Å; E170-R302 WeakPolarHBondContact OE1-CG 3.42Å; E170-R302 IonicContact OE1-CZ 3.09Å; E170-R302 IonicContact OE1-NE 3.77Å; E170-R302 PolarHBondContact OE1-NE 2.87Å; E170-R302 IonicContact OE1-NH2 2.93Å; E170-R302 IonicContact OE2-CZ 3.66Å; E170-R302 IonicContact OE2-NE 3.99Å; E170-R302 PolarHBondContact OE2-NE 2.95Å; E170-R302 VanDerWaalsContact OE2-NE 3.13Å; E170-R302 IonicContact OE2-NH2 2.81Å; E170-R302 PolarHBondContact OE2-NH2 3Å
171L95.1Very high93.4Very high96 Ų9650.3 Ų50.350%0.50327%0.268SS..EExtended strand (participates in β ladder)trans-63131.6175.917965.5000110.1Y169 L174 P279Y169-L171 HydrophobicContact CE1-CB 4.21Å; L171-L174 HydrophobicContact CD1-CD2 4.34Å; L171-P279 HydrophobicContact CD1-CB 3.5Å; L171-P279 VanDerWaalsContact CD1-CB 3.5Å
172L93.7Very high93.8Very high20 Ų2047.7 Ų47.711%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-103.3-50.5173.5-69.6-179.5000111.8E170 I280 I282 I301 M305E170-L172 PolarHBondContact O-N 2.81Å; L172-I280 WeakPolarHBondContact CA-O 3.48Å; L172-I280 WeakPolarHBondContact CB-O 3.45Å; L172-I280 PolarHBondContact N-O 2.71Å; L172-I282 HydrophobicContact CD1-CD1 4.37Å; L172-I282 HydrophobicContact CD1-CG1 3.63Å; L172-I282 HydrophobicContact CD2-CD1 3.85Å; L172-I282 HydrophobicContact CD2-CG1 3.77Å; L172-I282 HydrophobicContact CG-CD1 4.45Å; L172-I282 HydrophobicContact CG-CG1 3.82Å; L172-I301 HydrophobicContact CD1-CG2 3.53Å; L172-I301 HydrophobicContact CD2-CG2 4.22Å; L172-M305 HydrophobicContact CB-CG 3.8Å; L172-M305 HydrophobicContact CB-SD 3.89Å; L172-M305 HydrophobicContact CD1-CE 4.49Å; L172-M305 HydrophobicContact CD1-CG 4.25Å; L172-M305 HydrophobicContact CD1-SD 4.07Å; L172-M305 HydrophobicContact CD2-CG 3.75Å; L172-M305 HydrophobicContact CG-CG 4.14Å; L172-M305 HydrophobicContact CG-SD 4.42Å
173F91.9Very high94.3Very high30 Ų3042.7 Ų42.713%0.13223%0.225CC..EExtended strand (participates in β ladder)trans-163.4170.2178.861.6-82.8000111I115 E175 I280 M305I115-F173 HydrophobicContact CD1-CE1 3.5Å; I115-F173 HydrophobicContact CD1-CZ 3.77Å; I115-F173 HydrophobicContact CG1-CE1 3.9Å; I115-F173 HydrophobicContact CG1-CZ 4.11Å; F173-E175 HydrophobicContact CD2-CB 4.33Å; F173-E175 HydrophobicContact CE2-CB 3.84Å; F173-E175 HydrophobicContact CE2-CG 4.16Å; F173-I280 HydrophobicContact CE1-CB 4.11Å; F173-I280 HydrophobicContact CE1-CG2 3.92Å; F173-I280 HydrophobicContact CE2-CB 4.19Å; F173-I280 HydrophobicContact CE2-CG1 4.34Å; F173-I280 HydrophobicContact CZ-CB 3.88Å; F173-I280 HydrophobicContact CZ-CG1 4.3Å; F173-I280 HydrophobicContact CZ-CG2 3.86Å; F173-I280 PolarHBondContact N-O 3.28Å; F173-I280 PolarHBondContact O-N 2.81Å; F173-M305 HydrophobicContact CD1-SD 3.45Å; F173-M305 WeakPolarHBondContact CD1-SD 3.5Å; F173-M305 HydrophobicContact CE1-SD 3.69Å
174L92.1Very high94.5Very high89 Ų8945.5 Ų45.547%0.46624%0.24SC..EExtended strand (participates in β ladder)trans-95.9125.1169.8-58.6-178.8000110.4L171 A276 E278 P279L171-L174 HydrophobicContact CD1-CD2 4.34Å; L174-A276 HydrophobicContact CD1-CB 4.12Å; L174-E278 CarbonylContact C-O 3.52Å; L174-E278 WeakPolarHBondContact CA-O 3.23Å; L174-P279 HydrophobicContact CD2-CB 4.09Å
175E90.9Very high94.7Very high7 Ų744.5 Ų44.53%0.03324%0.235CC..EExtended strand (participates in β ladder)trans-97109-179.3-166.2167.8-131.200110.4F173 P253 G277 E278 I280F173-E175 HydrophobicContact CD2-CB 4.33Å; F173-E175 HydrophobicContact CE2-CB 3.84Å; F173-E175 HydrophobicContact CE2-CG 4.16Å; E175-P253 HydrophobicContact CG-CB 3.56Å; E175-P253 WeakPolarHBondContact OE1-CB 3.3Å; E175-P253 WeakPolarHBondContact OE2-CB 3.35Å; E175-G277 CarbonylContact O-C 3.56Å; E175-G277 VanDerWaalsContact O-CA 3.24Å; E175-G277 WeakPolarHBondContact O-CA 3.47Å; E175-E278 PolarHBondContact N-O 3.07Å; E175-E278 PolarHBondContact O-N 3.21Å; E175-I280 HydrophobicContact CB-CG1 3.73Å
176S92.4Very high95.1Very high43 Ų4343.4 Ų43.430%0.30123%0.229SC..  trans-79.9151.1177.373.60000111.9S254S176-S254 VanDerWaalsContact O-CB 3.31Å; S176-S254 WeakPolarHBondContact O-CB 3.42Å; S176-S254 PolarHBondContact O-N 2.78Å; S176-S254 PolarHBondContact O-OG 2.91Å; S176-S254 WeakPolarHBondContact OG-CB 3.29Å; S176-S254 PolarHBondContact OG-OG 3.06Å; S176-S254 VanDerWaalsContact OG-OG 3.09Å
177L94.6Very high95.4Very high20 Ų2042.3 Ų42.311%0.10522%0.218CC..EExtended strand (participates in β ladder)trans-77.9140.3169-167.872.5000110.2L179 H214 L218 F251L177-L179 HydrophobicContact CD2-CD1 4.43Å; L177-H214 HydrophobicContact CD2-CB 4.39Å; L177-L218 HydrophobicContact CD2-CD2 3.97Å; L177-F251 HydrophobicContact CD1-CB 4.5Å; L177-F251 HydrophobicContact CD2-CD1 4.24Å
178K95.5Very high95.4Very high73 Ų7344.5 Ų44.532%0.31723%0.229SC..EExtended strand (participates in β ladder)trans-127.2150.7168.8-74.1-169.9175.8-168.80109.9V180 V252 L261 A268K178-V180 HydrophobicContact CB-CG1 4.25Å; K178-V252 HydrophobicContact CB-CG1 4.29Å; K178-V252 PolarHBondContact N-O 2.78Å; K178-V252 PolarHBondContact O-N 3.12Å; K178-L261 HydrophobicContact CD-CD1 4.02Å; K178-A268 HydrophobicContact CD-CB 4.29Å
179L97.6Very high95.3Very high6 Ų649.6 Ų49.63%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-107123.8167.2-7665.2000106.7L177 L194 V197 L218 V249 W250 F251 A268 L269 V271L177-L179 HydrophobicContact CD2-CD1 4.43Å; L179-L194 HydrophobicContact CD2-CD1 3.8Å; L179-V197 HydrophobicContact CD2-CG1 3.87Å; L179-L218 HydrophobicContact CD1-CD2 3.59Å; L179-V249 HydrophobicContact CB-CG1 4.17Å; L179-W250 WeakPolarHBondContact CA-O 3.35Å; L179-F251 HydrophobicContact CD1-CD1 3.77Å; L179-F251 HydrophobicContact CD1-CE1 3.86Å; L179-F251 HydrophobicContact CD1-CG 4.29Å; L179-F251 HydrophobicContact CD1-CZ 4.42Å; L179-F251 HydrophobicContact CD2-CD1 4.21Å; L179-F251 HydrophobicContact CD2-CD2 4.44Å; L179-F251 HydrophobicContact CD2-CE1 3.59Å; L179-F251 HydrophobicContact CD2-CE2 3.84Å; L179-F251 HydrophobicContact CD2-CZ 3.36Å; L179-F251 HydrophobicContact CG-CD1 3.88Å; L179-F251 HydrophobicContact CG-CD2 4.14Å; L179-F251 HydrophobicContact CG-CE1 3.79Å; L179-F251 HydrophobicContact CG-CE2 4.03Å; L179-F251 HydrophobicContact CG-CG 4.04Å; L179-F251 HydrophobicContact CG-CZ 3.85Å; L179-A268 WeakPolarHBondContact O-CA 3.32Å; L179-L269 HydrophobicContact CB-CB 4.34Å; L179-L269 HydrophobicContact CB-CD1 4.17Å; L179-L269 PolarHBondContact O-N 3.15Å; L179-V271 HydrophobicContact CD2-CG2 4.45Å
180V98.2Very high94.9Very high0 Ų050.4 Ų50.40%026%0.257CS..EExtended strand (participates in β ladder)trans-125.9149.9-175.4-60.60000111.5K178 T243 W250 V252 V257 L261 L266 V267 A268K178-V180 HydrophobicContact CB-CG1 4.25Å; V180-T243 HydrophobicContact CG2-CG2 4.4Å; V180-W250 HydrophobicContact CG2-CB 3.87Å; V180-W250 HydrophobicContact CG2-CD2 4.39Å; V180-W250 HydrophobicContact CG2-CE3 3.97Å; V180-W250 HydrophobicContact CG2-CG 4.38Å; V180-W250 PolarHBondContact N-O 2.82Å; V180-W250 PolarHBondContact O-N 3.45Å; V180-V252 HydrophobicContact CG1-CG1 4.02Å; V180-V252 HydrophobicContact CG2-CG1 3.75Å; V180-V257 HydrophobicContact CG1-CG2 4.15Å; V180-V257 HydrophobicContact CG2-CG1 4.38Å; V180-L261 HydrophobicContact CG1-CD2 4.34Å; V180-L266 HydrophobicContact CB-CB 4.35Å; V180-L266 HydrophobicContact CB-CD1 4.5Å; V180-L266 HydrophobicContact CG2-CD1 3.95Å; V180-V267 VanDerWaalsContact CA-O 3.29Å; V180-V267 WeakPolarHBondContact CA-O 3.36Å; V180-A268 HydrophobicContact CG1-CB 4.35Å
181V98.7Very high94.7Very high0 Ų054.5 Ų54.50%028%0.281CS..EExtended strand (participates in β ladder)trans-137.7168.1178-65.80000109.9H185 L187 L188 V249 L266 V267 L269V181-H185 HydrophobicContact CB-CB 3.68Å; V181-H185 HydrophobicContact CG1-CB 4.39Å; V181-H185 HydrophobicContact CG2-CB 3.77Å; V181-L187 HydrophobicContact CG1-CD1 4.43Å; V181-L188 HydrophobicContact CG2-CD1 4.02Å; V181-L188 HydrophobicContact CG2-CD2 4Å; V181-L188 HydrophobicContact CG2-CG 3.97Å; V181-V249 HydrophobicContact CG1-CB 4.27Å; V181-V249 HydrophobicContact CG1-CG1 4.09Å; V181-V249 HydrophobicContact CG1-CG2 3.81Å; V181-L266 CarbonylContact O-C 3.56Å; V181-L266 WeakPolarHBondContact O-CA 3.44Å; V181-V267 PolarHBondContact N-O 2.8Å; V181-V267 PolarHBondContact O-N 2.96Å; V181-L269 HydrophobicContact CG1-CD1 3.99Å; V181-L269 HydrophobicContact CG1-CD2 4.1Å; V181-L269 HydrophobicContact CG1-CG 4.12Å; V181-L269 HydrophobicContact CG2-CD2 3.64Å; V181-L269 HydrophobicContact CG2-CG 4.22Å
182R98.2Very high94.6Very high56 Ų5651.4 Ų51.421%0.21127%0.266CS..  trans-67.6156.7168.966.7178.1-178.779.913.3112.1N184 H185 V244 D247R182-N184 PolarHBondContact NH1-O 2.94Å; R182-N184 PolarHBondContact NH2-O 2.87Å; R182-N184 PolarHBondContact O-N 2.9Å; R182-N184 VanDerWaalsContact O-N 3.11Å; R182-H185 HydrophobicContact CG-CB 4.01Å; R182-H185 WeakPolarHBondContact O-CB 3.5Å; R182-H185 PolarHBondContact O-N 2.85Å; R182-H185 VanDerWaalsContact O-N 3.09Å; R182-V244 VanDerWaalsContact CD-O 3.27Å; R182-V244 WeakPolarHBondContact CD-O 3.48Å; R182-D247 IonicContact CZ-OD1 3.01Å; R182-D247 IonicContact CZ-OD2 2.94Å; R182-D247 IonicContact NE-OD1 2.62Å; R182-D247 PolarHBondContact NE-OD1 3.4Å; R182-D247 IonicContact NE-OD2 3.83Å; R182-D247 IonicContact NH2-OD1 2.74Å; R182-D247 PolarHBondContact NH2-OD1 3.14Å; R182-D247 IonicContact NH2-OD2 3.84Å; R182-D247 PolarHBondContact NH2-OD2 2.88Å
183P97.1Very high94.6Very high53 Ų5354 Ų5434%0.34428%0.283SS..THydrogen-bonded Turntrans-60.3-25.1-175.4-25.733.6000116.4L188 A264 T265 V267P183-L188 WeakPolarHBondContact O-CD1 3.24Å; P183-A264 WeakPolarHBondContact CG-O 3.45Å; P183-T265 WeakPolarHBondContact CD-O 3.29Å; P183-V267 HydrophobicContact CB-CG2 4.05Å; P183-V267 HydrophobicContact CG-CG2 4.14Å
184N94.7Very high94.7Very high133 Ų13353.1 Ų53.171%0.71128%0.279SS*.THydrogen-bonded Turntrans-10721-178.8-67.2-27.8000112R182R182-N184 PolarHBondContact NH1-O 2.94Å; R182-N184 PolarHBondContact NH2-O 2.87Å; R182-N184 PolarHBondContact O-N 2.9Å; R182-N184 VanDerWaalsContact O-N 3.11Å
185H97.7Very high94.7Very high2 Ų252.1 Ų52.11%0.00928%0.28CS..  trans-67.5133.7179.7-169.4-69.2000110.5V181 R182 L187 L188 W200 D247V181-H185 HydrophobicContact CB-CB 3.68Å; V181-H185 HydrophobicContact CG1-CB 4.39Å; V181-H185 HydrophobicContact CG2-CB 3.77Å; R182-H185 HydrophobicContact CG-CB 4.01Å; R182-H185 WeakPolarHBondContact O-CB 3.5Å; R182-H185 PolarHBondContact O-N 2.85Å; R182-H185 VanDerWaalsContact O-N 3.09Å; H185-L187 VanDerWaalsContact C-N 3.26Å; H185-L187 WeakPolarHBondContact CE1-CD1 3.4Å; H185-L187 VanDerWaalsContact CE1-CG 3.41Å; H185-L187 WeakPolarHBondContact CE1-CG 3.23Å; H185-L187 VanDerWaalsContact ND1-CB 3.33Å; H185-L187 WeakPolarHBondContact ND1-CB 3.49Å; H185-L187 PolarHBondContact ND1-N 3.08Å; H185-L187 VanDerWaalsContact ND1-N 3.14Å; H185-L187 PolarHBondContact O-N 3.32Å; H185-L187 VanDerWaalsContact O-N 3.15Å; H185-L188 HydrophobicContact CB-CD1 4.44Å; H185-L188 WeakPolarHBondContact O-CB 3.2Å; H185-L188 PolarHBondContact O-N 2.93Å; H185-W200 AromaticContact CE1-CD2 3.53Å; H185-W200 AromaticContact CE1-CE2 3.85Å; H185-W200 AromaticContact CE1-CE3 3.65Å; H185-W200 AromaticContact CE1-CG 3.94Å; H185-W200 AromaticContact NE2-CE3 3.82Å; H185-D247 IonicContact CD2-OD1 3.2Å; H185-D247 PolarHBondContact CD2-OD1 3.04Å; H185-D247 IonicContact CG-OD1 3.74Å; H185-D247 PolarHBondContact NE2-O 3.39Å; H185-D247 VanDerWaalsContact NE2-O 3.14Å; H185-D247 IonicContact NE2-OD1 3.13Å
186P95.9Very high94.9Very high44 Ų4455.3 Ų55.329%0.28629%0.292SS..G310 helixtrans-54.2-36.8-176.6-30.538.1000114.7L188 Q189 W200P186-L188 PolarHBondContact O-N 2.87Å; P186-Q189 PolarHBondContact O-N 3.4Å; P186-W200 HydrophobicContact CB-CH2 3.72Å; P186-W200 HydrophobicContact CB-CZ2 3.83Å; P186-W200 HydrophobicContact CG-CH2 3.65Å; P186-W200 HydrophobicContact CG-CZ2 4.27Å; P186-W200 HydrophobicContact CG-CZ3 4.33Å
187L95.6Very high95.1Very high0 Ų053.3 Ų53.30%028%0.277CS..G310 helixtrans-48-31.8172.5-75.4172.2000114.9V181 H185 Q189 E190 V192 R196 V197 W200 V249 L269V181-L187 HydrophobicContact CG1-CD1 4.43Å; H185-L187 VanDerWaalsContact C-N 3.26Å; H185-L187 WeakPolarHBondContact CE1-CD1 3.4Å; H185-L187 VanDerWaalsContact CE1-CG 3.41Å; H185-L187 WeakPolarHBondContact CE1-CG 3.23Å; H185-L187 VanDerWaalsContact ND1-CB 3.33Å; H185-L187 WeakPolarHBondContact ND1-CB 3.49Å; H185-L187 PolarHBondContact ND1-N 3.08Å; H185-L187 VanDerWaalsContact ND1-N 3.14Å; H185-L187 PolarHBondContact O-N 3.32Å; H185-L187 VanDerWaalsContact O-N 3.15Å; L187-Q189 PolarHBondContact O-N 3.34Å; L187-E190 PolarHBondContact O-N 3.48Å; L187-V192 WeakPolarHBondContact O-CG2 3.19Å; L187-R196 HydrophobicContact CD2-CG 3.73Å; L187-V197 HydrophobicContact CD1-CG2 4.17Å; L187-W200 HydrophobicContact CD1-CG 4.01Å; L187-W200 VanDerWaalsContact CD2-NE1 3.28Å; L187-W200 HydrophobicContact CG-CD2 4.46Å; L187-W200 HydrophobicContact CG-CG 4.25Å; L187-V249 HydrophobicContact CD1-CG2 3.73Å; L187-L269 HydrophobicContact CB-CD2 4.48Å; L187-L269 HydrophobicContact CD1-CD1 4.25Å
188L95.5Very high95.2Very high61 Ų6153.4 Ų53.432%0.31928%0.278SS..G310 helixtrans-71.9-13.3-177.8-64.2173.2000113.3V181 P183 H185 P186 V267 L269V181-L188 HydrophobicContact CG2-CD1 4.02Å; V181-L188 HydrophobicContact CG2-CD2 4Å; V181-L188 HydrophobicContact CG2-CG 3.97Å; P183-L188 WeakPolarHBondContact O-CD1 3.24Å; H185-L188 HydrophobicContact CB-CD1 4.44Å; H185-L188 WeakPolarHBondContact O-CB 3.2Å; H185-L188 PolarHBondContact O-N 2.93Å; P186-L188 PolarHBondContact O-N 2.87Å; L188-V267 HydrophobicContact CD1-CB 4.13Å; L188-V267 HydrophobicContact CD1-CG1 4.16Å; L188-V267 HydrophobicContact CD1-CG2 4.35Å; L188-V267 HydrophobicContact CD2-CB 4.5Å; L188-V267 HydrophobicContact CD2-CG1 3.86Å; L188-L269 HydrophobicContact CD2-CD2 3.81Å
189Q93.4Very high95.1Very high180 Ų18055.7 Ų55.784%0.84129%0.29SS*.G310 helixtrans-94.6-2.2177.5-60.3-177.7-12.100112.9P186 L187P186-Q189 PolarHBondContact O-N 3.4Å; L187-Q189 PolarHBondContact O-N 3.34Å
190E88.8Confident95.1Very high79 Ų7958 Ų5837%0.36930%0.298SS..SBendtrans-116.4172.4-174.6-60.6179.8-156.900111.8L187 V192 R196L187-E190 PolarHBondContact O-N 3.48Å; E190-V192 PolarHBondContact O-N 3.23Å; E190-V192 VanDerWaalsContact O-N 3.11Å; E190-R196 IonicContact OE1-CZ 3.84Å; E190-R196 IonicContact OE1-NE 2.68Å; E190-R196 IonicContact OE1-NH2 3.14Å; E190-R196 PolarHBondContact OE1-NH2 3.02Å; E190-R196 IonicContact OE2-CZ 3.41Å; E190-R196 IonicContact OE2-NE 2.76Å; E190-R196 PolarHBondContact OE2-NE 3.11Å; E190-R196 IonicContact OE2-NH2 2.86Å; E190-R196 PolarHBondContact OE2-NH2 2.91Å
191N90.9Very high95Very high153 Ų15360.5 Ų60.582%0.81831%0.314SS*.  trans-71.5102.4165-75.9-28.7000109.4T193N191-T193 PolarHBondContact O-N 3.48Å
192V93.3Very high95Very high31 Ų3160.5 Ų60.519%0.18831%0.314CS..  trans-70.4113.6-177.4-177.10000110.8L187 E190 V197 L269 P270 V271L187-V192 WeakPolarHBondContact O-CG2 3.19Å; E190-V192 PolarHBondContact O-N 3.23Å; E190-V192 VanDerWaalsContact O-N 3.11Å; V192-V197 HydrophobicContact CG1-CG2 3.77Å; V192-L269 HydrophobicContact CG1-CB 4.22Å; V192-L269 HydrophobicContact CG1-CD1 4.38Å; V192-L269 HydrophobicContact CG1-CD2 4.29Å; V192-L269 HydrophobicContact CG2-CD2 4.41Å; V192-P270 HydrophobicContact CB-CG 3.97Å; V192-P270 HydrophobicContact CG1-CG 4.43Å; V192-P270 HydrophobicContact CG2-CG 4.26Å; V192-V271 HydrophobicContact CG1-CG2 4.11Å
193T93.3Very high95.1Very high75 Ų7557.9 Ų57.946%0.4630%0.304SS..  trans-120.9156.116965.20000109.7N191 S195 R196 V197N191-T193 PolarHBondContact O-N 3.48Å; T193-S195 VanDerWaalsContact C-N 3.29Å; T193-S195 PolarHBondContact O-N 3.48Å; T193-R196 PolarHBondContact O-N 2.86Å; T193-R196 VanDerWaalsContact O-N 3.15Å; T193-R196 WeakPolarHBondContact OG1-CB 3.38Å; T193-R196 PolarHBondContact OG1-N 3.2Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 3.13Å
194L93.4Very high95.1Very high11 Ų1155.4 Ų55.46%0.05829%0.288CS..Hα-helixtrans-63.1-36-179.9-169.454.3000112.4L179 R196 V197 L198 L218 V219 Q222 F251 V271L179-L194 HydrophobicContact CD2-CD1 3.8Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.44Å; L194-V197 HydrophobicContact CD1-CB 4.4Å; L194-V197 HydrophobicContact CD1-CG1 4.4Å; L194-V197 WeakPolarHBondContact O-CB 3.47Å; L194-V197 PolarHBondContact O-N 3.04Å; L194-L198 HydrophobicContact CD1-CD1 4.45Å; L194-L198 HydrophobicContact CD1-CG 4.35Å; L194-L198 HydrophobicContact CG-CD1 4.15Å; L194-L198 VanDerWaalsContact O-CG 3.24Å; L194-L198 WeakPolarHBondContact O-CG 3.36Å; L194-L198 PolarHBondContact O-N 3.11Å; L194-L218 HydrophobicContact CD2-CG 4.07Å; L194-V219 HydrophobicContact CD1-CG1 4.32Å; L194-V219 HydrophobicContact CD2-CB 4.27Å; L194-V219 HydrophobicContact CD2-CG1 3.97Å; L194-V219 HydrophobicContact CG-CG1 4.32Å; L194-Q222 HydrophobicContact CD2-CB 3.97Å; L194-Q222 HydrophobicContact CD2-CG 3.86Å; L194-F251 HydrophobicContact CD1-CZ 4.31Å; L194-V271 HydrophobicContact CD1-CG1 4.44Å
195S93.7Very high95.2Very high68 Ų6849.5 Ų49.548%0.47626%0.257SS..Hα-helixtrans-57-48.6172.8-173.60000111.3T193 V197 L198 E199T193-S195 VanDerWaalsContact C-N 3.29Å; T193-S195 PolarHBondContact O-N 3.48Å; S195-V197 VanDerWaalsContact C-N 3.34Å; S195-V197 PolarHBondContact O-N 2.92Å; S195-L198 PolarHBondContact O-N 3.37Å; S195-E199 PolarHBondContact O-N 3.31Å
196R94.3Very high95.1Very high74 Ų7451 Ų5128%0.27927%0.267SS..Hα-helixtrans-66.9-36179.9-175.455.2173159.54.7112.2L187 E190 T193 L194 L198 E199 W200L187-R196 HydrophobicContact CD2-CG 3.73Å; E190-R196 IonicContact OE1-CZ 3.84Å; E190-R196 IonicContact OE1-NE 2.68Å; E190-R196 IonicContact OE1-NH2 3.14Å; E190-R196 PolarHBondContact OE1-NH2 3.02Å; E190-R196 IonicContact OE2-CZ 3.41Å; E190-R196 IonicContact OE2-NE 2.76Å; E190-R196 PolarHBondContact OE2-NE 3.11Å; E190-R196 IonicContact OE2-NH2 2.86Å; E190-R196 PolarHBondContact OE2-NH2 2.91Å; T193-R196 PolarHBondContact O-N 2.86Å; T193-R196 VanDerWaalsContact O-N 3.15Å; T193-R196 WeakPolarHBondContact OG1-CB 3.38Å; T193-R196 PolarHBondContact OG1-N 3.2Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.44Å; R196-L198 VanDerWaalsContact C-N 3.31Å; R196-L198 PolarHBondContact O-N 3.28Å; R196-E199 WeakPolarHBondContact CD-OE2 3.28Å; R196-E199 IonicContact CZ-OE2 3.79Å; R196-E199 IonicContact NE-OE2 3.81Å; R196-E199 IonicContact NH1-OE2 2.76Å; R196-E199 PolarHBondContact NH1-OE2 3.46Å; R196-E199 WeakPolarHBondContact O-CB 3.29Å; R196-E199 PolarHBondContact O-N 3.02Å; R196-W200 VanDerWaalsContact O-CD1 3.26Å
197V96.1Very high95Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-59.4-41.7174166.50000111.9L179 L187 V192 T193 L194 S195 E199 W200 V249 L269 V271L179-V197 HydrophobicContact CD2-CG1 3.87Å; L187-V197 HydrophobicContact CD1-CG2 4.17Å; V192-V197 HydrophobicContact CG1-CG2 3.77Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 3.13Å; L194-V197 HydrophobicContact CD1-CB 4.4Å; L194-V197 HydrophobicContact CD1-CG1 4.4Å; L194-V197 WeakPolarHBondContact O-CB 3.47Å; L194-V197 PolarHBondContact O-N 3.04Å; S195-V197 VanDerWaalsContact C-N 3.34Å; S195-V197 PolarHBondContact O-N 2.92Å; V197-E199 PolarHBondContact O-N 2.97Å; V197-W200 WeakPolarHBondContact O-CB 3.41Å; V197-W200 PolarHBondContact O-N 2.83Å; V197-W200 VanDerWaalsContact O-N 3.16Å; V197-V249 HydrophobicContact CG1-CB 4.21Å; V197-V249 HydrophobicContact CG1-CG1 3.74Å; V197-V249 HydrophobicContact CG1-CG2 4.15Å; V197-L269 HydrophobicContact CG1-CD1 4.27Å; V197-L269 HydrophobicContact CG2-CD1 3.61Å; V197-V271 HydrophobicContact CG2-CG2 4.49Å
198L96.3Very high94.7Very high22 Ų2258.8 Ų58.812%0.11532%0.32CS..THydrogen-bonded Turntrans-77.9-3.6-177-62.4169.5000113.8L194 S195 R196 W200 V202 V219 C224 I226 P227 F251L194-L198 HydrophobicContact CD1-CD1 4.45Å; L194-L198 HydrophobicContact CD1-CG 4.35Å; L194-L198 HydrophobicContact CG-CD1 4.15Å; L194-L198 VanDerWaalsContact O-CG 3.24Å; L194-L198 WeakPolarHBondContact O-CG 3.36Å; L194-L198 PolarHBondContact O-N 3.11Å; S195-L198 PolarHBondContact O-N 3.37Å; R196-L198 VanDerWaalsContact C-N 3.31Å; R196-L198 PolarHBondContact O-N 3.28Å; L198-W200 VanDerWaalsContact C-N 3.25Å; L198-V202 HydrophobicContact CD2-CG1 4.25Å; L198-V219 HydrophobicContact CD1-CB 4.33Å; L198-V219 HydrophobicContact CD1-CG1 3.91Å; L198-V219 HydrophobicContact CD2-CG1 4.16Å; L198-C224 HydrophobicContact CD1-CB 3.47Å; L198-C224 VanDerWaalsContact CD1-CB 3.47Å; L198-I226 HydrophobicContact CD2-CD1 4.39Å; L198-P227 HydrophobicContact CB-CG 4.28Å; L198-P227 WeakPolarHBondContact O-CG 3.44Å; L198-F251 HydrophobicContact CD2-CE2 4.31Å; L198-F251 HydrophobicContact CD2-CZ 3.81Å
199E95.1Very high94.6Very high121 Ų12157.1 Ų57.157%0.56531%0.312SS*.THydrogen-bonded Turntrans-78-13.6167.4-66.1172.8-161.200112.3S195 R196 V197S195-E199 PolarHBondContact O-N 3.31Å; R196-E199 WeakPolarHBondContact CD-OE2 3.28Å; R196-E199 IonicContact CZ-OE2 3.79Å; R196-E199 IonicContact NE-OE2 3.81Å; R196-E199 IonicContact NH1-OE2 2.76Å; R196-E199 PolarHBondContact NH1-OE2 3.46Å; R196-E199 WeakPolarHBondContact O-CB 3.29Å; R196-E199 PolarHBondContact O-N 3.02Å; V197-E199 PolarHBondContact O-N 2.97Å
200W96.3Very high94.5Very high55 Ų5548.8 Ų48.821%0.20827%0.274CS..SBendtrans-93.4156.9174.7-66.183.2000110.9H185 P186 L187 R196 V197 L198 V202 D247 V249H185-W200 AromaticContact CE1-CD2 3.53Å; H185-W200 AromaticContact CE1-CE2 3.85Å; H185-W200 AromaticContact CE1-CE3 3.65Å; H185-W200 AromaticContact CE1-CG 3.94Å; H185-W200 AromaticContact NE2-CE3 3.82Å; P186-W200 HydrophobicContact CB-CH2 3.72Å; P186-W200 HydrophobicContact CB-CZ2 3.83Å; P186-W200 HydrophobicContact CG-CH2 3.65Å; P186-W200 HydrophobicContact CG-CZ2 4.27Å; P186-W200 HydrophobicContact CG-CZ3 4.33Å; L187-W200 HydrophobicContact CD1-CG 4.01Å; L187-W200 VanDerWaalsContact CD2-NE1 3.28Å; L187-W200 HydrophobicContact CG-CD2 4.46Å; L187-W200 HydrophobicContact CG-CG 4.25Å; R196-W200 VanDerWaalsContact O-CD1 3.26Å; V197-W200 WeakPolarHBondContact O-CB 3.41Å; V197-W200 PolarHBondContact O-N 2.83Å; V197-W200 VanDerWaalsContact O-N 3.16Å; L198-W200 VanDerWaalsContact C-N 3.25Å; W200-V202 WeakPolarHBondContact O-CG1 3.24Å; W200-V202 PolarHBondContact O-N 3.03Å; W200-D247 HydrophobicContact CE3-CB 4.15Å; W200-D247 HydrophobicContact CZ3-CB 4.11Å; W200-V249 HydrophobicContact CB-CG2 3.91Å
201P97.7Very high94.8Very high52 Ų5245.7 Ų45.734%0.33826%0.261SS..  trans-59.7133.617225.8-33.8000110.2Y248 V249P201-Y248 HydrophobicContact CB-CD1 3.89Å; P201-Y248 HydrophobicContact CB-CD2 4.15Å; P201-Y248 HydrophobicContact CB-CE1 3.69Å; P201-Y248 HydrophobicContact CB-CE2 3.97Å; P201-Y248 HydrophobicContact CB-CG 4.11Å; P201-Y248 HydrophobicContact CG-CD2 4.04Å; P201-Y248 HydrophobicContact CG-CE2 4.11Å; P201-Y248 HydrophobicContact CG-CG 4.24Å; P201-Y248 CarbonylContact O-C 3.43Å; P201-Y248 VanDerWaalsContact O-CA 3.28Å; P201-Y248 WeakPolarHBondContact O-CA 3.45Å; P201-V249 PolarHBondContact O-N 2.93Å
202V98.3Very high95Very high1 Ų139.3 Ų39.31%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-119.3144.7-177.8-52.50000111.4L198 W200 V204 I226 C230 I231 V249 F251L198-V202 HydrophobicContact CD2-CG1 4.25Å; W200-V202 WeakPolarHBondContact O-CG1 3.24Å; W200-V202 PolarHBondContact O-N 3.03Å; V202-V204 HydrophobicContact CG2-CG1 4.33Å; V202-I226 HydrophobicContact CG2-CG2 4.33Å; V202-C230 HydrophobicContact CG2-CB 3.46Å; V202-C230 VanDerWaalsContact CG2-CB 3.46Å; V202-C230 WeakPolarHBondContact O-CA 3.36Å; V202-I231 PolarHBondContact O-N 3.17Å; V202-V249 VanDerWaalsContact CA-O 3.29Å; V202-V249 WeakPolarHBondContact CA-O 3.19Å; V202-V249 HydrophobicContact CG1-CB 4.29Å; V202-F251 HydrophobicContact CB-CD2 4.33Å; V202-F251 HydrophobicContact CB-CE2 4.06Å; V202-F251 HydrophobicContact CG1-CE2 3.96Å
203V98.6Very high95Very high0 Ų043.3 Ų43.30%024%0.242CC..EExtended strand (participates in β ladder)trans-116.4129.2169.3580000109.5I231 T233 S239 Y248 V249 W250 F251V203-I231 WeakPolarHBondContact CA-O 3.33Å; V203-I231 HydrophobicContact CB-CB 4.21Å; V203-I231 HydrophobicContact CG2-CB 4.12Å; V203-I231 HydrophobicContact CG2-CG2 3.99Å; V203-T233 HydrophobicContact CG2-CG2 3.87Å; V203-S239 VanDerWaalsContact CG2-OG 3.3Å; V203-S239 WeakPolarHBondContact CG2-OG 3.29Å; V203-Y248 HydrophobicContact CB-CD1 4.19Å; V203-Y248 HydrophobicContact CG1-CD1 4.44Å; V203-V249 PolarHBondContact N-O 3.28Å; V203-W250 HydrophobicContact CG1-CB 3.53Å; V203-W250 HydrophobicContact CG1-CG 3.7Å; V203-F251 PolarHBondContact O-N 2.98Å
204V98.1Very high95Very high1 Ų141.3 Ų41.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-131.8164.7-175.1-59.30000110.3V202 I226 I231 E232 T233 F251V202-V204 HydrophobicContact CG2-CG1 4.33Å; V204-I226 HydrophobicContact CG1-CD1 4.16Å; V204-I226 HydrophobicContact CG1-CG2 4.4Å; V204-I231 PolarHBondContact N-O 2.97Å; V204-E232 HydrophobicContact CG2-CG 3.96Å; V204-E232 WeakPolarHBondContact O-CA 3.49Å; V204-T233 PolarHBondContact O-N 3.44Å; V204-F251 HydrophobicContact CG1-CB 3.98Å; V204-F251 HydrophobicContact CG1-CD2 3.97Å; V204-F251 HydrophobicContact CG1-CG 3.96Å
205S96.3Very high95.1Very high9 Ų940.8 Ų40.86%0.06323%0.225CC..PPolyproline II helixtrans-70.9154.1168.4-61.20000110.7T209 P211 R212S205-T209 VanDerWaalsContact CB-OG1 3.26Å; S205-T209 WeakPolarHBondContact CB-OG1 3.47Å; S205-P211 WeakPolarHBondContact OG-CB 3.42Å; S205-R212 WeakPolarHBondContact O-CB 3.4Å; S205-R212 WeakPolarHBondContact O-CD 3.46Å
206P95.7Very high95.2Very high33 Ų3340 Ų4021%0.21422%0.215CC..PPolyproline II helixtrans-65.8158-179.4-22.435.8000113.5T209 R212 E232 L234P206-T209 WeakPolarHBondContact O-CB 3.43Å; P206-T209 VanDerWaalsContact O-CG2 3.31Å; P206-T209 WeakPolarHBondContact O-CG2 3.31Å; P206-T209 PolarHBondContact O-N 3.35Å; P206-T209 PolarHBondContact O-OG1 3.31Å; P206-R212 WeakPolarHBondContact O-CB 3.19Å; P206-E232 WeakPolarHBondContact CA-OE2 3.45Å; P206-L234 HydrophobicContact CG-CG 3.98Å
207E94.3Very high95.2Very high134 Ų13437.8 Ų37.863%0.62621%0.213SC*.THydrogen-bonded Turntrans-49.3147.7169.1-65.5-168.9170.300113.2T209 R212 E232E207-T209 PolarHBondContact O-N 2.8Å; E207-R212 HydrophobicContact CG-CG 4.5Å; E207-R212 VanDerWaalsContact CG-CZ 3.45Å; E207-R212 IonicContact OE1-CZ 3.94Å; E207-R212 IonicContact OE1-NH1 3.25Å; E207-R212 IonicContact OE1-NH2 2.88Å; E207-R212 PolarHBondContact OE1-NH2 2.94Å; E207-E232 PolarHBondContact N-OE2 3.32Å; E207-E232 VanDerWaalsContact N-OE2 3.14Å
208G89.9Confident95.1Very high74 Ų7438 Ų3876%0.76321%0.214SC*.THydrogen-bonded Turntrans79-2-17600000114.9
209T92.8Very high95Very high26 Ų2637.1 Ų37.116%0.1621%0.209CC..SBendtrans-97.7145173.272.20000110.9S205 P206 E207 P211 R212 Q213 L234S205-T209 VanDerWaalsContact CB-OG1 3.26Å; S205-T209 WeakPolarHBondContact CB-OG1 3.47Å; P206-T209 WeakPolarHBondContact O-CB 3.43Å; P206-T209 VanDerWaalsContact O-CG2 3.31Å; P206-T209 WeakPolarHBondContact O-CG2 3.31Å; P206-T209 PolarHBondContact O-N 3.35Å; P206-T209 PolarHBondContact O-OG1 3.31Å; E207-T209 PolarHBondContact O-N 2.8Å; T209-P211 VanDerWaalsContact C-CD 3.49Å; T209-R212 WeakPolarHBondContact O-CB 3.46Å; T209-R212 PolarHBondContact O-N 3.38Å; T209-R212 VanDerWaalsContact O-N 3.11Å; T209-R212 WeakPolarHBondContact OG1-CB 3.35Å; T209-R212 PolarHBondContact OG1-N 2.84Å; T209-Q213 PolarHBondContact O-N 3.26Å; T209-L234 HydrophobicContact CG2-CD2 4.16Å
210A92Very high95Very high6 Ų638.5 Ų38.55%0.0522%0.216CC..Hα-helixtrans-67.6-29.4178.300000114.9R157 R212 Q213 H214 E278R157-A210 VanDerWaalsContact NH1-CA 3.26Å; A210-R212 PolarHBondContact O-N 3.39Å; A210-Q213 PolarHBondContact O-N 2.95Å; A210-H214 WeakPolarHBondContact O-CB 3.4Å; A210-H214 PolarHBondContact O-N 3.49Å; A210-E278 HydrophobicContact CB-CG 4.26Å; A210-E278 VanDerWaalsContact CB-OE2 3.32Å; A210-E278 WeakPolarHBondContact CB-OE2 3.17Å
211P93.5Very high94.8Very high14 Ų1438.8 Ų38.89%0.09123%0.226CC..Hα-helixtrans-60.8-32.7170.7-21.734.7000112S205 T209 S215 P253S205-P211 WeakPolarHBondContact OG-CB 3.42Å; T209-P211 VanDerWaalsContact C-CD 3.49Å; P211-S215 WeakPolarHBondContact O-CB 3.31Å; P211-S215 PolarHBondContact O-N 3.13Å; P211-S215 PolarHBondContact O-OG 2.99Å; P211-P253 HydrophobicContact CB-CG 4Å; P211-P253 HydrophobicContact CG-CG 3.93Å
212R95.2Very high94.5Very high19 Ų1942.5 Ų42.57%0.07224%0.239CC..Hα-helixtrans-68.2-49.6171.7178.653.5-175-76.8-13111.7S205 P206 E207 T209 A210 H214 S215 D216 E232S205-R212 WeakPolarHBondContact O-CB 3.4Å; S205-R212 WeakPolarHBondContact O-CD 3.46Å; P206-R212 WeakPolarHBondContact O-CB 3.19Å; E207-R212 HydrophobicContact CG-CG 4.5Å; E207-R212 VanDerWaalsContact CG-CZ 3.45Å; E207-R212 IonicContact OE1-CZ 3.94Å; E207-R212 IonicContact OE1-NH1 3.25Å; E207-R212 IonicContact OE1-NH2 2.88Å; E207-R212 PolarHBondContact OE1-NH2 2.94Å; T209-R212 WeakPolarHBondContact O-CB 3.46Å; T209-R212 PolarHBondContact O-N 3.38Å; T209-R212 VanDerWaalsContact O-N 3.11Å; T209-R212 WeakPolarHBondContact OG1-CB 3.35Å; T209-R212 PolarHBondContact OG1-N 2.84Å; A210-R212 PolarHBondContact O-N 3.39Å; R212-H214 PolarHBondContact O-N 3.27Å; R212-S215 WeakPolarHBondContact O-CA 3.47Å; R212-S215 WeakPolarHBondContact O-CB 3.24Å; R212-S215 PolarHBondContact O-N 3.32Å; R212-D216 IonicContact CZ-OD1 3.13Å; R212-D216 IonicContact CZ-OD2 3.42Å; R212-D216 IonicContact NE-OD1 3.82Å; R212-D216 PolarHBondContact NE-OD1 2.98Å; R212-D216 IonicContact NE-OD2 2.82Å; R212-D216 PolarHBondContact NE-OD2 3.13Å; R212-D216 VanDerWaalsContact NE-OD2 3.09Å; R212-D216 IonicContact NH2-OD1 3.18Å; R212-D216 PolarHBondContact O-N 3.25Å; R212-E232 IonicContact NH1-OE1 2.71Å; R212-E232 PolarHBondContact NH1-OE1 3.42Å; R212-E232 IonicContact NH1-OE2 2.81Å; R212-E232 PolarHBondContact NH1-OE2 3.33Å
213Q93.6Very high94.3Very high115 Ų11546.1 Ų46.154%0.53728%0.277SS..Hα-helixtrans-54-38.1175.2-67.1172.1-22.400112.2T209 A210 D216 A217T209-Q213 PolarHBondContact O-N 3.26Å; A210-Q213 PolarHBondContact O-N 2.95Å; Q213-D216 PolarHBondContact O-N 3.32Å; Q213-A217 WeakPolarHBondContact O-CB 3.36Å; Q213-A217 PolarHBondContact O-N 3.09Å
214H93.3Very high94.1Very high33 Ų3347.2 Ų47.215%0.15328%0.284CS..Hα-helixtrans-71.9-37.4176.4-81.8-145.3000113.3L177 A210 R212 D216 L218 E278L177-H214 HydrophobicContact CD2-CB 4.39Å; A210-H214 WeakPolarHBondContact O-CB 3.4Å; A210-H214 PolarHBondContact O-N 3.49Å; R212-H214 PolarHBondContact O-N 3.27Å; H214-D216 VanDerWaalsContact C-N 3.33Å; H214-L218 VanDerWaalsContact O-CB 3.28Å; H214-L218 WeakPolarHBondContact O-CB 3.28Å; H214-L218 PolarHBondContact O-N 2.95Å; H214-E278 WeakPolarHBondContact CE1-CG 3.49Å; H214-E278 IonicContact CE1-OE1 2.95Å; H214-E278 PolarHBondContact CE1-OE1 2.95Å; H214-E278 IonicContact ND1-OE1 3.88Å; H214-E278 VanDerWaalsContact NE2-CD 3.3Å; H214-E278 IonicContact NE2-OE1 3.94Å; H214-E278 PolarHBondContact NE2-OE1 3.13Å
215S95.5Very high93.9Very high0 Ų055.8 Ų55.80%032%0.321CS..Hα-helixtrans-62.7-44.9173.1-56.90000110.2P211 R212 L218 V219P211-S215 WeakPolarHBondContact O-CB 3.31Å; P211-S215 PolarHBondContact O-N 3.13Å; P211-S215 PolarHBondContact O-OG 2.99Å; R212-S215 WeakPolarHBondContact O-CA 3.47Å; R212-S215 WeakPolarHBondContact O-CB 3.24Å; R212-S215 PolarHBondContact O-N 3.32Å; S215-L218 PolarHBondContact O-N 3.14Å; S215-V219 WeakPolarHBondContact O-CG2 3.38Å; S215-V219 PolarHBondContact O-N 3.38Å
216D95.6Very high93.9Very high50 Ų5056.5 Ų56.527%0.26732%0.324SS..Hα-helixtrans-63.5-46.1177.6-66.1-28.4000111.5R212 Q213 H214 L218 V219 Q220 I226R212-D216 IonicContact CZ-OD1 3.13Å; R212-D216 IonicContact CZ-OD2 3.42Å; R212-D216 IonicContact NE-OD1 3.82Å; R212-D216 PolarHBondContact NE-OD1 2.98Å; R212-D216 IonicContact NE-OD2 2.82Å; R212-D216 PolarHBondContact NE-OD2 3.13Å; R212-D216 VanDerWaalsContact NE-OD2 3.09Å; R212-D216 IonicContact NH2-OD1 3.18Å; R212-D216 PolarHBondContact O-N 3.25Å; Q213-D216 PolarHBondContact O-N 3.32Å; H214-D216 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 2.69Å; D216-V219 VanDerWaalsContact O-CG2 3.24Å; D216-V219 WeakPolarHBondContact O-CG2 3.44Å; D216-V219 PolarHBondContact O-N 2.81Å; D216-Q220 WeakPolarHBondContact O-CB 3.48Å; D216-Q220 PolarHBondContact O-N 2.72Å; D216-I226 WeakPolarHBondContact OD1-CG1 3.39Å
217A94.2Very high93.9Very high28 Ų2856.9 Ų56.923%0.23133%0.327CS..Hα-helixtrans-61.8-42.1176.400000112.2Q213 Q220 S221Q213-A217 WeakPolarHBondContact O-CB 3.36Å; Q213-A217 PolarHBondContact O-N 3.09Å; A217-Q220 PolarHBondContact O-N 3.39Å; A217-S221 WeakPolarHBondContact O-CB 3.33Å; A217-S221 PolarHBondContact O-N 3.49Å
218L94.2Very high93.8Very high5 Ų557 Ų573%0.02634%0.343CS..Hα-helixtrans-60.1-51.9176.5174.563.2000111.1L177 L179 L194 H214 S215 D216 S221 F251 V271 P272 H274L177-L218 HydrophobicContact CD2-CD2 3.97Å; L179-L218 HydrophobicContact CD1-CD2 3.59Å; L194-L218 HydrophobicContact CD2-CG 4.07Å; H214-L218 VanDerWaalsContact O-CB 3.28Å; H214-L218 WeakPolarHBondContact O-CB 3.28Å; H214-L218 PolarHBondContact O-N 2.95Å; S215-L218 PolarHBondContact O-N 3.14Å; D216-L218 PolarHBondContact O-N 2.69Å; L218-S221 PolarHBondContact O-N 2.89Å; L218-S221 PolarHBondContact O-OG 3.38Å; L218-F251 HydrophobicContact CD2-CE1 4.46Å; L218-V271 HydrophobicContact CD1-CG1 4.43Å; L218-V271 HydrophobicContact CD2-CG1 4.44Å; L218-P272 WeakPolarHBondContact CD1-O 3.26Å; L218-H274 HydrophobicContact CB-CB 4.08Å; L218-H274 HydrophobicContact CD1-CB 4.13Å
219V95.3Very high93.9Very high3 Ų356.6 Ų56.62%0.01834%0.338CS..Hα-helixtrans-65.8-40.9-179.6-600000112L194 L198 S215 D216 S221 Q222 G223 C224 I226 F251L194-V219 HydrophobicContact CD1-CG1 4.32Å; L194-V219 HydrophobicContact CD2-CB 4.27Å; L194-V219 HydrophobicContact CD2-CG1 3.97Å; L194-V219 HydrophobicContact CG-CG1 4.32Å; L198-V219 HydrophobicContact CD1-CB 4.33Å; L198-V219 HydrophobicContact CD1-CG1 3.91Å; L198-V219 HydrophobicContact CD2-CG1 4.16Å; S215-V219 WeakPolarHBondContact O-CG2 3.38Å; S215-V219 PolarHBondContact O-N 3.38Å; D216-V219 VanDerWaalsContact O-CG2 3.24Å; D216-V219 WeakPolarHBondContact O-CG2 3.44Å; D216-V219 PolarHBondContact O-N 2.81Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 3.47Å; V219-Q222 CarbonylContact O-C 3.57Å; V219-Q222 PolarHBondContact O-N 2.93Å; V219-Q222 VanDerWaalsContact O-N 3.14Å; V219-G223 PolarHBondContact O-N 3.41Å; V219-C224 CarbonylContact C-O 3.55Å; V219-C224 VanDerWaalsContact C-O 3.28Å; V219-C224 HydrophobicContact CB-CB 4Å; V219-C224 CarbonylContact O-C 3.52Å; V219-C224 WeakPolarHBondContact O-CA 3.35Å; V219-C224 WeakPolarHBondContact O-CB 3.31Å; V219-C224 PolarHBondContact O-N 3.49Å; V219-I226 HydrophobicContact CG1-CD1 3.73Å; V219-I226 HydrophobicContact CG2-CD1 4.19Å; V219-I226 HydrophobicContact CG2-CG1 4.09Å; V219-F251 HydrophobicContact CG1-CE1 4.14Å; V219-F251 HydrophobicContact CG1-CZ 4.44Å
220Q94.5Very high94.1Very high150 Ų15056.4 Ų56.470%0.70134%0.338SS*.Hα-helixtrans-64-37.8179.2-173176.914.400112D216 A217 Q222 G223 C224D216-Q220 WeakPolarHBondContact O-CB 3.48Å; D216-Q220 PolarHBondContact O-N 2.72Å; A217-Q220 PolarHBondContact O-N 3.39Å; Q220-Q222 PolarHBondContact O-N 2.94Å; Q220-Q222 VanDerWaalsContact O-N 3.13Å; Q220-G223 PolarHBondContact O-N 3.41Å; Q220-C224 PolarHBondContact N-O 3.03Å
221S92.7Very high94.4Very high62 Ų6259 Ų5943%0.43435%0.35SS..Hα-helixtrans-61-21.3177.277.40000113.6A217 L218 V219A217-S221 WeakPolarHBondContact O-CB 3.33Å; A217-S221 PolarHBondContact O-N 3.49Å; L218-S221 PolarHBondContact O-N 2.89Å; L218-S221 PolarHBondContact O-OG 3.38Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 3.47Å
222Q91.5Very high94.6Very high129 Ų12962.5 Ų62.560%0.60337%0.365SS*.THydrogen-bonded Turntrans-10817.6177.4-58-63.1-51.100112.1L194 V219 Q220 C224L194-Q222 HydrophobicContact CD2-CB 3.97Å; L194-Q222 HydrophobicContact CD2-CG 3.86Å; V219-Q222 CarbonylContact O-C 3.57Å; V219-Q222 PolarHBondContact O-N 2.93Å; V219-Q222 VanDerWaalsContact O-N 3.14Å; Q220-Q222 PolarHBondContact O-N 2.94Å; Q220-Q222 VanDerWaalsContact O-N 3.13Å; Q222-C224 PolarHBondContact O-N 2.85Å; Q222-C224 PolarHBondContact O-SG 2.9Å; Q222-C224 VanDerWaalsContact O-SG 3.4Å
223G92.7Very high94.7Very high77 Ų7762.9 Ų62.979%0.79437%0.369SS*.THydrogen-bonded Turntrans68.115-179.800000114.6V219 Q220V219-G223 PolarHBondContact O-N 3.41Å; Q220-G223 PolarHBondContact O-N 3.41Å
224C95Very high94.7Very high23 Ų2360.7 Ų60.716%0.15536%0.361CS..  trans-103171.4-178.8-62.70000111.6L198 V219 Q220 Q222L198-C224 HydrophobicContact CD1-CB 3.47Å; L198-C224 VanDerWaalsContact CD1-CB 3.47Å; V219-C224 CarbonylContact C-O 3.55Å; V219-C224 VanDerWaalsContact C-O 3.28Å; V219-C224 HydrophobicContact CB-CB 4Å; V219-C224 CarbonylContact O-C 3.52Å; V219-C224 WeakPolarHBondContact O-CA 3.35Å; V219-C224 WeakPolarHBondContact O-CB 3.31Å; V219-C224 PolarHBondContact O-N 3.49Å; Q220-C224 PolarHBondContact N-O 3.03Å; Q222-C224 PolarHBondContact O-N 2.85Å; Q222-C224 PolarHBondContact O-SG 2.9Å; Q222-C224 VanDerWaalsContact O-SG 3.4Å
225K94.8Very high94.7Very high182 Ų18261.3 Ų61.379%0.79137%0.369SS*.  trans-139149.9173.5-65.7-176.5-179.5-179.90109.9P227K225-P227 WeakPolarHBondContact O-CD 3.43Å
226I96Very high94.6Very high24 Ų2461.8 Ų61.812%0.12337%0.373CS..  trans-60.7128.8170.6-59.9-62000108.6L198 V202 V204 D216 V219 C230 F251L198-I226 HydrophobicContact CD2-CD1 4.39Å; V202-I226 HydrophobicContact CG2-CG2 4.33Å; V204-I226 HydrophobicContact CG1-CD1 4.16Å; V204-I226 HydrophobicContact CG1-CG2 4.4Å; D216-I226 WeakPolarHBondContact OD1-CG1 3.39Å; V219-I226 HydrophobicContact CG1-CD1 3.73Å; V219-I226 HydrophobicContact CG2-CD1 4.19Å; V219-I226 HydrophobicContact CG2-CG1 4.09Å; I226-C230 HydrophobicContact CG2-CB 3.88Å; I226-F251 HydrophobicContact CD1-CE1 4.18Å; I226-F251 HydrophobicContact CD1-CZ 4.3Å
227P95Very high94.6Very high41 Ų4163.7 Ų63.727%0.26639%0.39SS..  trans-59.3143.7177.6-25.332.4000112.2L198 K225 G229 C230L198-P227 HydrophobicContact CB-CG 4.28Å; L198-P227 WeakPolarHBondContact O-CG 3.44Å; K225-P227 WeakPolarHBondContact O-CD 3.43Å; P227-G229 PolarHBondContact O-N 2.72Å; P227-C230 WeakPolarHBondContact O-CB 3.16Å; P227-C230 PolarHBondContact O-N 2.99Å; P227-C230 VanDerWaalsContact O-N 3.17Å; P227-C230 PolarHBondContact O-SG 2.96Å
228S92.2Very high94.7Very high137 Ų13766.2 Ų66.296%0.95840%0.399SS*.THydrogen-bonded Turntrans-63.9-20.7177.457.40000113.8C230S228-C230 VanDerWaalsContact C-N 3.32Å
229G93.1Very high94.9Very high65 Ų6566 Ų6667%0.6740%0.399SS*.THydrogen-bonded Turntrans-9018176.600000114.5P227P227-G229 PolarHBondContact O-N 2.72Å
230C97Very high95Very high22 Ų2269.9 Ų69.915%0.14941%0.413CS..  trans-70.4160.9178.270.60000112.8V202 I226 P227 S228V202-C230 HydrophobicContact CG2-CB 3.46Å; V202-C230 VanDerWaalsContact CG2-CB 3.46Å; V202-C230 WeakPolarHBondContact O-CA 3.36Å; I226-C230 HydrophobicContact CG2-CB 3.88Å; P227-C230 WeakPolarHBondContact O-CB 3.16Å; P227-C230 PolarHBondContact O-N 2.99Å; P227-C230 VanDerWaalsContact O-N 3.17Å; P227-C230 PolarHBondContact O-SG 2.96Å; S228-C230 VanDerWaalsContact C-N 3.32Å
231I98.3Very high95.2Very high60 Ų6066.8 Ų66.831%0.30840%0.398SS..EExtended strand (participates in β ladder)trans-95.7123.9168.7-61.6-63.7000108.9V202 V203 V204 T233 L242 Y248V202-I231 PolarHBondContact O-N 3.17Å; V203-I231 WeakPolarHBondContact CA-O 3.33Å; V203-I231 HydrophobicContact CB-CB 4.21Å; V203-I231 HydrophobicContact CG2-CB 4.12Å; V203-I231 HydrophobicContact CG2-CG2 3.99Å; V204-I231 PolarHBondContact N-O 2.97Å; I231-T233 HydrophobicContact CG2-CG2 4.27Å; I231-L242 HydrophobicContact CG2-CD1 4.23Å; I231-Y248 HydrophobicContact CB-CE1 4.41Å; I231-Y248 HydrophobicContact CG1-CE1 3.63Å
232E97.8Very high95.4Very high87 Ų8765.1 Ų65.141%0.40739%0.385SS..EExtended strand (participates in β ladder)trans-105.1116.4175.2-63.4-167-138.600110.3V204 P206 E207 R212V204-E232 HydrophobicContact CG2-CG 3.96Å; V204-E232 WeakPolarHBondContact O-CA 3.49Å; P206-E232 WeakPolarHBondContact CA-OE2 3.45Å; E207-E232 PolarHBondContact N-OE2 3.32Å; E207-E232 VanDerWaalsContact N-OE2 3.14Å; R212-E232 IonicContact NH1-OE1 2.71Å; R212-E232 PolarHBondContact NH1-OE1 3.42Å; R212-E232 IonicContact NH1-OE2 2.81Å; R212-E232 PolarHBondContact NH1-OE2 3.33Å
233T96.6Very high95.7Very high27 Ų2759 Ų5917%0.16636%0.356CS..  trans-156.8147179.8-171.30000113.2V203 V204 I231 S235 L238 S239V203-T233 HydrophobicContact CG2-CG2 3.87Å; V204-T233 PolarHBondContact O-N 3.44Å; I231-T233 HydrophobicContact CG2-CG2 4.27Å; T233-S235 VanDerWaalsContact C-N 3.34Å; T233-S235 WeakPolarHBondContact OG1-CB 3.38Å; T233-S235 PolarHBondContact OG1-N 3.28Å; T233-S235 VanDerWaalsContact OG1-N 3.08Å; T233-L238 HydrophobicContact CG2-CD2 4.35Å; T233-S239 VanDerWaalsContact CG2-OG 3.29Å; T233-S239 WeakPolarHBondContact CG2-OG 3.25Å
234L92.5Very high96Very high70 Ų7057 Ų5737%0.36633%0.328SS..SBendtrans-86.3-7.7168.4-75.9175.7000112.6P109 P206 T209 A236P109-L234 WeakPolarHBondContact CB-O 3.37Å; P109-L234 HydrophobicContact CG-CB 4.32Å; P206-L234 HydrophobicContact CG-CG 3.98Å; T209-L234 HydrophobicContact CG2-CD2 4.16Å; L234-A236 PolarHBondContact O-N 3.05Å; L234-A236 VanDerWaalsContact O-N 3.12Å
235S94.4Very high96.1Very high46 Ų4661 Ų6132%0.32235%0.345SS..  trans-78.696.1-177.5-179.50000111.1T233 S237 L238 S239T233-S235 VanDerWaalsContact C-N 3.34Å; T233-S235 WeakPolarHBondContact OG1-CB 3.38Å; T233-S235 PolarHBondContact OG1-N 3.28Å; T233-S235 VanDerWaalsContact OG1-N 3.08Å; S235-S237 PolarHBondContact O-N 2.78Å; S235-S237 PolarHBondContact OG-OG 3.14Å; S235-L238 PolarHBondContact O-N 3.44Å; S235-L238 WeakPolarHBondContact OG-CB 3.49Å; S235-L238 PolarHBondContact OG-N 3.1Å; S235-S239 PolarHBondContact O-N 3.16Å; S235-S239 PolarHBondContact O-OG 2.84Å; S235-S239 VanDerWaalsContact O-OG 3.11Å
236A93.5Very high96.1Very high9 Ų959.8 Ų59.87%0.07434%0.336CS..Hα-helixtrans-60.8-31.5177.400000113L113 L234 R240 W250L113-A236 HydrophobicContact CD1-CB 3.39Å; L234-A236 PolarHBondContact O-N 3.05Å; L234-A236 VanDerWaalsContact O-N 3.12Å; A236-R240 VanDerWaalsContact O-CB 3.23Å; A236-R240 WeakPolarHBondContact O-CB 3.24Å; A236-R240 PolarHBondContact O-N 3.09Å; A236-W250 HydrophobicContact CB-CH2 4.15Å; A236-W250 HydrophobicContact CB-CZ2 4.15Å
237S94.6Very high96.1Very high90 Ų9060.4 Ų60.463%0.62934%0.34SS*.Hα-helixtrans-68.2-41.1175.954.70000112.4S235 Q241S235-S237 PolarHBondContact O-N 2.78Å; S235-S237 PolarHBondContact OG-OG 3.14Å; S237-Q241 PolarHBondContact O-N 3.07Å
238L97.4Very high96.3Very high81 Ų8160.8 Ų60.842%0.42434%0.336SS..Hα-helixtrans-64.6-49.8174.4176.760.6000110.8T233 S235 R240 Q241 L242T233-L238 HydrophobicContact CG2-CD2 4.35Å; S235-L238 PolarHBondContact O-N 3.44Å; S235-L238 WeakPolarHBondContact OG-CB 3.49Å; S235-L238 PolarHBondContact OG-N 3.1Å; L238-R240 VanDerWaalsContact C-N 3.29Å; L238-R240 PolarHBondContact O-N 3.41Å; L238-Q241 PolarHBondContact O-N 3.31Å; L238-Q241 VanDerWaalsContact O-N 3.15Å; L238-L242 HydrophobicContact CD1-CD1 4.2Å; L238-L242 HydrophobicContact CD1-CG 4.17Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 HydrophobicContact CG-CG 4.49Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.46Å
239S98Very high96.6Very high2 Ų254.2 Ų54.21%0.01429%0.29CS..Hα-helixtrans-57.9-43.5179.3-54.80000111.7V203 T233 S235 L242 T243V203-S239 VanDerWaalsContact CG2-OG 3.3Å; V203-S239 WeakPolarHBondContact CG2-OG 3.29Å; T233-S239 VanDerWaalsContact CG2-OG 3.29Å; T233-S239 WeakPolarHBondContact CG2-OG 3.25Å; S235-S239 PolarHBondContact O-N 3.16Å; S235-S239 PolarHBondContact O-OG 2.84Å; S235-S239 VanDerWaalsContact O-OG 3.11Å; S239-L242 PolarHBondContact O-N 3.45Å; S239-T243 WeakPolarHBondContact O-CB 3.44Å; S239-T243 PolarHBondContact O-N 3.44Å; S239-T243 PolarHBondContact O-OG1 3.22Å
240R97.4Very high96.8Very high83 Ų8351.4 Ų51.431%0.31326%0.26SS..Hα-helixtrans-59.2-48.3175.3-175.3-179.7179.5-80.50111.7A236 L238 L242 T243 V244 W250 D260A236-R240 VanDerWaalsContact O-CB 3.23Å; A236-R240 WeakPolarHBondContact O-CB 3.24Å; A236-R240 PolarHBondContact O-N 3.09Å; L238-R240 VanDerWaalsContact C-N 3.29Å; L238-R240 PolarHBondContact O-N 3.41Å; R240-L242 PolarHBondContact O-N 3.02Å; R240-T243 WeakPolarHBondContact O-CB 3.4Å; R240-T243 PolarHBondContact O-N 3.48Å; R240-V244 HydrophobicContact CG-CG2 4.4Å; R240-V244 WeakPolarHBondContact O-CG2 3.46Å; R240-V244 PolarHBondContact O-N 2.88Å; R240-W250 HydrophobicContact CB-CH2 4.37Å; R240-W250 HydrophobicContact CB-CZ3 3.87Å; R240-W250 HydrophobicContact CG-CZ3 4.49Å; R240-D260 IonicContact CZ-OD1 3.77Å; R240-D260 VanDerWaalsContact NE-CG 3.33Å; R240-D260 IonicContact NE-OD1 3.26Å; R240-D260 PolarHBondContact NE-OD1 2.93Å; R240-D260 IonicContact NE-OD2 3.43Å; R240-D260 PolarHBondContact NE-OD2 2.97Å; R240-D260 VanDerWaalsContact NE-OD2 3.13Å; R240-D260 IonicContact NH2-OD1 2.85Å; R240-D260 PolarHBondContact NH2-OD1 2.97Å
241Q97.9Very high96.9Very high85 Ų8550.4 Ų50.440%0.39725%0.253SS..Hα-helixtrans-66.3-38.7-178.1-165.463.513.600112.5S237 L238 T243 V244 E245S237-Q241 PolarHBondContact O-N 3.07Å; L238-Q241 PolarHBondContact O-N 3.31Å; L238-Q241 VanDerWaalsContact O-N 3.15Å; Q241-T243 VanDerWaalsContact C-N 3.28Å; Q241-T243 PolarHBondContact O-N 2.84Å; Q241-V244 PolarHBondContact O-N 3.3Å; Q241-E245 HydrophobicContact CG-CG 4.11Å; Q241-E245 PolarHBondContact NE2-OE1 3.25Å; Q241-E245 WeakPolarHBondContact O-CB 3.45Å; Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 3.43Å
242L98.3Very high96.8Very high28 Ų2847.5 Ų47.515%0.14724%0.238CC..Hα-helixtrans-59.1-41.5172.8-70.4173.2000111.9I231 L238 S239 R240 Y246 Y248I231-L242 HydrophobicContact CG2-CD1 4.23Å; L238-L242 HydrophobicContact CD1-CD1 4.2Å; L238-L242 HydrophobicContact CD1-CG 4.17Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 HydrophobicContact CG-CG 4.49Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.46Å; S239-L242 PolarHBondContact O-N 3.45Å; R240-L242 PolarHBondContact O-N 3.02Å; L242-Y246 HydrophobicContact CD2-CD2 4.1Å; L242-Y246 WeakPolarHBondContact O-CA 3.48Å; L242-Y246 WeakPolarHBondContact O-CB 3.36Å; L242-Y246 PolarHBondContact O-N 3.48Å; L242-Y248 HydrophobicContact CB-CD1 4.34Å; L242-Y248 HydrophobicContact CB-CD2 3.99Å; L242-Y248 HydrophobicContact CB-CG 3.88Å; L242-Y248 HydrophobicContact CD1-CD1 4.48Å; L242-Y248 HydrophobicContact CD1-CE1 4.43Å; L242-Y248 HydrophobicContact CD2-CD2 4.41Å; L242-Y248 HydrophobicContact CD2-CE2 4.16Å
243T98.3Very high96.7Very high0 Ų043.6 Ų43.60%022%0.22CC..Hα-helixtrans-68.4-40.2179.6-50.10000112.1V180 S239 R240 Q241 Y248 W250 L266V180-T243 HydrophobicContact CG2-CG2 4.4Å; S239-T243 WeakPolarHBondContact O-CB 3.44Å; S239-T243 PolarHBondContact O-N 3.44Å; S239-T243 PolarHBondContact O-OG1 3.22Å; R240-T243 WeakPolarHBondContact O-CB 3.4Å; R240-T243 PolarHBondContact O-N 3.48Å; Q241-T243 VanDerWaalsContact C-N 3.28Å; Q241-T243 PolarHBondContact O-N 2.84Å; T243-Y248 WeakPolarHBondContact CG2-O 3.24Å; T243-W250 HydrophobicContact CG2-CB 4.34Å; T243-W250 VanDerWaalsContact OG1-CB 3.24Å; T243-W250 WeakPolarHBondContact OG1-CB 3.29Å; T243-L266 HydrophobicContact CG2-CD2 3.43Å; T243-L266 VanDerWaalsContact CG2-CD2 3.43Å
244V97.5Very high96.5Very high34 Ų3443.3 Ų43.321%0.20622%0.219CC..Hα-helixtrans-72.7-39.7-178.5170.90000111.8R182 R240 Q241 T265 L266R182-V244 VanDerWaalsContact CD-O 3.27Å; R182-V244 WeakPolarHBondContact CD-O 3.48Å; R240-V244 HydrophobicContact CG-CG2 4.4Å; R240-V244 WeakPolarHBondContact O-CG2 3.46Å; R240-V244 PolarHBondContact O-N 2.88Å; Q241-V244 PolarHBondContact O-N 3.3Å; V244-T265 HydrophobicContact CG2-CG2 4.18Å; V244-L266 HydrophobicContact CG2-CD2 3.91Å
245E96.6Very high96.4Very high109 Ų10940.1 Ų40.151%0.50920%0.203SC..Hα-helixtrans-103.2-27.6-168.9-59.6-65.5166.600114.9Q241Q241-E245 HydrophobicContact CG-CG 4.11Å; Q241-E245 PolarHBondContact NE2-OE1 3.25Å; Q241-E245 WeakPolarHBondContact O-CB 3.45Å; Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 3.43Å
246Y96.6Very high96.4Very high155 Ų15538.4 Ų38.461%0.60819%0.192SC*.SBendtrans-128.422.2-163.3-60.9-75.8000115L242 Y248L242-Y246 HydrophobicContact CD2-CD2 4.1Å; L242-Y246 WeakPolarHBondContact O-CA 3.48Å; L242-Y246 WeakPolarHBondContact O-CB 3.36Å; L242-Y246 PolarHBondContact O-N 3.48Å; Y246-Y248 WeakPolarHBondContact O-CD2 3.35Å; Y246-Y248 PolarHBondContact O-N 3.08Å; Y246-Y248 VanDerWaalsContact O-N 3.15Å
247D95.7Very high96.5Very high37 Ų3738 Ų3820%0.19819%0.188CC..  trans56.230.6178.3-76.6-35000114.5R182 H185 W200R182-D247 IonicContact CZ-OD1 3.01Å; R182-D247 IonicContact CZ-OD2 2.94Å; R182-D247 IonicContact NE-OD1 2.62Å; R182-D247 PolarHBondContact NE-OD1 3.4Å; R182-D247 IonicContact NE-OD2 3.83Å; R182-D247 IonicContact NH2-OD1 2.74Å; R182-D247 PolarHBondContact NH2-OD1 3.14Å; R182-D247 IonicContact NH2-OD2 3.84Å; R182-D247 PolarHBondContact NH2-OD2 2.88Å; H185-D247 IonicContact CD2-OD1 3.2Å; H185-D247 PolarHBondContact CD2-OD1 3.04Å; H185-D247 IonicContact CG-OD1 3.74Å; H185-D247 PolarHBondContact NE2-O 3.39Å; H185-D247 VanDerWaalsContact NE2-O 3.14Å; H185-D247 IonicContact NE2-OD1 3.13Å; W200-D247 HydrophobicContact CE3-CB 4.15Å; W200-D247 HydrophobicContact CZ3-CB 4.11Å
248Y98.4Very high96.5Very high49 Ų4938.1 Ų38.119%0.19218%0.178CC..PPolyproline II helixtrans-74.2143.6169.9-81.9-111.9000110.6P201 V203 I231 L242 T243 Y246P201-Y248 HydrophobicContact CB-CD1 3.89Å; P201-Y248 HydrophobicContact CB-CD2 4.15Å; P201-Y248 HydrophobicContact CB-CE1 3.69Å; P201-Y248 HydrophobicContact CB-CE2 3.97Å; P201-Y248 HydrophobicContact CB-CG 4.11Å; P201-Y248 HydrophobicContact CG-CD2 4.04Å; P201-Y248 HydrophobicContact CG-CE2 4.11Å; P201-Y248 HydrophobicContact CG-CG 4.24Å; P201-Y248 CarbonylContact O-C 3.43Å; P201-Y248 VanDerWaalsContact O-CA 3.28Å; P201-Y248 WeakPolarHBondContact O-CA 3.45Å; V203-Y248 HydrophobicContact CB-CD1 4.19Å; V203-Y248 HydrophobicContact CG1-CD1 4.44Å; I231-Y248 HydrophobicContact CB-CE1 4.41Å; I231-Y248 HydrophobicContact CG1-CE1 3.63Å; L242-Y248 HydrophobicContact CB-CD1 4.34Å; L242-Y248 HydrophobicContact CB-CD2 3.99Å; L242-Y248 HydrophobicContact CB-CG 3.88Å; L242-Y248 HydrophobicContact CD1-CD1 4.48Å; L242-Y248 HydrophobicContact CD1-CE1 4.43Å; L242-Y248 HydrophobicContact CD2-CD2 4.41Å; L242-Y248 HydrophobicContact CD2-CE2 4.16Å; T243-Y248 WeakPolarHBondContact CG2-O 3.24Å; Y246-Y248 WeakPolarHBondContact O-CD2 3.35Å; Y246-Y248 PolarHBondContact O-N 3.08Å; Y246-Y248 VanDerWaalsContact O-N 3.15Å
249V98.4Very high96.3Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-94.3119.3164.4-171.20000108.8L179 V181 L187 V197 W200 P201 V202 V203 F251 L269L179-V249 HydrophobicContact CB-CG1 4.17Å; V181-V249 HydrophobicContact CG1-CB 4.27Å; V181-V249 HydrophobicContact CG1-CG1 4.09Å; V181-V249 HydrophobicContact CG1-CG2 3.81Å; L187-V249 HydrophobicContact CD1-CG2 3.73Å; V197-V249 HydrophobicContact CG1-CB 4.21Å; V197-V249 HydrophobicContact CG1-CG1 3.74Å; V197-V249 HydrophobicContact CG1-CG2 4.15Å; W200-V249 HydrophobicContact CB-CG2 3.91Å; P201-V249 PolarHBondContact O-N 2.93Å; V202-V249 VanDerWaalsContact CA-O 3.29Å; V202-V249 WeakPolarHBondContact CA-O 3.19Å; V202-V249 HydrophobicContact CG1-CB 4.29Å; V203-V249 PolarHBondContact N-O 3.28Å; V249-F251 HydrophobicContact CG1-CE2 4.39Å; V249-L269 HydrophobicContact CG1-CD1 3.83Å
250W98.4Very high96.2Very high6 Ų638.7 Ų38.72%0.02318%0.181CC..EExtended strand (participates in β ladder)trans-99.6119.9-179.2-179.221.2000111.8L179 V180 V203 A236 R240 T243 V252 V257 L266L179-W250 WeakPolarHBondContact CA-O 3.35Å; V180-W250 HydrophobicContact CG2-CB 3.87Å; V180-W250 HydrophobicContact CG2-CD2 4.39Å; V180-W250 HydrophobicContact CG2-CE3 3.97Å; V180-W250 HydrophobicContact CG2-CG 4.38Å; V180-W250 PolarHBondContact N-O 2.82Å; V180-W250 PolarHBondContact O-N 3.45Å; V203-W250 HydrophobicContact CG1-CB 3.53Å; V203-W250 HydrophobicContact CG1-CG 3.7Å; A236-W250 HydrophobicContact CB-CH2 4.15Å; A236-W250 HydrophobicContact CB-CZ2 4.15Å; R240-W250 HydrophobicContact CB-CH2 4.37Å; R240-W250 HydrophobicContact CB-CZ3 3.87Å; R240-W250 HydrophobicContact CG-CZ3 4.49Å; T243-W250 HydrophobicContact CG2-CB 4.34Å; T243-W250 VanDerWaalsContact OG1-CB 3.24Å; T243-W250 WeakPolarHBondContact OG1-CB 3.29Å; W250-V252 HydrophobicContact CD2-CB 3.64Å; W250-V252 HydrophobicContact CD2-CG1 4.3Å; W250-V252 HydrophobicContact CD2-CG2 3.82Å; W250-V252 VanDerWaalsContact CE2-CB 3.5Å; W250-V252 HydrophobicContact CE3-CB 4.18Å; W250-V252 HydrophobicContact CE3-CG1 4.48Å; W250-V252 HydrophobicContact CE3-CG2 4.13Å; W250-V252 HydrophobicContact CG-CB 3.91Å; W250-V252 HydrophobicContact CH2-CB 4.47Å; W250-V252 HydrophobicContact CH2-CG2 3.59Å; W250-V252 HydrophobicContact CZ2-CB 3.97Å; W250-V252 HydrophobicContact CZ2-CG2 3.22Å; W250-V252 HydrophobicContact CZ3-CG2 4.01Å; W250-V252 PolarHBondContact O-N 2.83Å; W250-V257 HydrophobicContact CE3-CG1 4.13Å; W250-V257 HydrophobicContact CH2-CG1 4.21Å; W250-V257 HydrophobicContact CZ3-CG1 3.64Å; W250-L266 HydrophobicContact CE3-CD1 4.32Å; W250-L266 HydrophobicContact CZ3-CD1 4.37Å
251F97.7Very high96.2Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-82.8107168.3-70.2-117.9000108L177 L179 L194 L198 V202 V203 V204 L218 V219 I226 V249L177-F251 HydrophobicContact CD1-CB 4.5Å; L177-F251 HydrophobicContact CD2-CD1 4.24Å; L179-F251 HydrophobicContact CD1-CD1 3.77Å; L179-F251 HydrophobicContact CD1-CE1 3.86Å; L179-F251 HydrophobicContact CD1-CG 4.29Å; L179-F251 HydrophobicContact CD1-CZ 4.42Å; L179-F251 HydrophobicContact CD2-CD1 4.21Å; L179-F251 HydrophobicContact CD2-CD2 4.44Å; L179-F251 HydrophobicContact CD2-CE1 3.59Å; L179-F251 HydrophobicContact CD2-CE2 3.84Å; L179-F251 HydrophobicContact CD2-CZ 3.36Å; L179-F251 HydrophobicContact CG-CD1 3.88Å; L179-F251 HydrophobicContact CG-CD2 4.14Å; L179-F251 HydrophobicContact CG-CE1 3.79Å; L179-F251 HydrophobicContact CG-CE2 4.03Å; L179-F251 HydrophobicContact CG-CG 4.04Å; L179-F251 HydrophobicContact CG-CZ 3.85Å; L194-F251 HydrophobicContact CD1-CZ 4.31Å; L198-F251 HydrophobicContact CD2-CE2 4.31Å; L198-F251 HydrophobicContact CD2-CZ 3.81Å; V202-F251 HydrophobicContact CB-CD2 4.33Å; V202-F251 HydrophobicContact CB-CE2 4.06Å; V202-F251 HydrophobicContact CG1-CE2 3.96Å; V203-F251 PolarHBondContact O-N 2.98Å; V204-F251 HydrophobicContact CG1-CB 3.98Å; V204-F251 HydrophobicContact CG1-CD2 3.97Å; V204-F251 HydrophobicContact CG1-CG 3.96Å; L218-F251 HydrophobicContact CD2-CE1 4.46Å; V219-F251 HydrophobicContact CG1-CE1 4.14Å; V219-F251 HydrophobicContact CG1-CZ 4.44Å; I226-F251 HydrophobicContact CD1-CE1 4.18Å; I226-F251 HydrophobicContact CD1-CZ 4.3Å; V249-F251 HydrophobicContact CG1-CE2 4.39Å
252V96.5Very high96.1Very high0 Ų041.4 Ų41.40%019%0.191CC..EExtended strand (participates in β ladder)trans-134.8138.9-165.867.90000111.9K178 V180 W250 S254 A256 V257K178-V252 HydrophobicContact CB-CG1 4.29Å; K178-V252 PolarHBondContact N-O 2.78Å; K178-V252 PolarHBondContact O-N 3.12Å; V180-V252 HydrophobicContact CG1-CG1 4.02Å; V180-V252 HydrophobicContact CG2-CG1 3.75Å; W250-V252 HydrophobicContact CD2-CB 3.64Å; W250-V252 HydrophobicContact CD2-CG1 4.3Å; W250-V252 HydrophobicContact CD2-CG2 3.82Å; W250-V252 VanDerWaalsContact CE2-CB 3.5Å; W250-V252 HydrophobicContact CE3-CB 4.18Å; W250-V252 HydrophobicContact CE3-CG1 4.48Å; W250-V252 HydrophobicContact CE3-CG2 4.13Å; W250-V252 HydrophobicContact CG-CB 3.91Å; W250-V252 HydrophobicContact CH2-CB 4.47Å; W250-V252 HydrophobicContact CH2-CG2 3.59Å; W250-V252 HydrophobicContact CZ2-CB 3.97Å; W250-V252 HydrophobicContact CZ2-CG2 3.22Å; W250-V252 HydrophobicContact CZ3-CG2 4.01Å; W250-V252 PolarHBondContact O-N 2.83Å; V252-S254 PolarHBondContact O-N 3.33Å; V252-A256 HydrophobicContact CG2-CB 3.91Å; V252-V257 HydrophobicContact CB-CG1 4.46Å; V252-V257 HydrophobicContact CG1-CG1 3.81Å; V252-V257 HydrophobicContact CG1-CG2 3.89Å; V252-V257 HydrophobicContact CG2-CG1 3.95Å
253P95.1Very high96Very high4 Ų446.3 Ų46.33%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-60.7132.1165.6-2032.5000111.5T110 E175 P211 G255 A256T110-P253 HydrophobicContact CG2-CG 4Å; E175-P253 HydrophobicContact CG-CB 3.56Å; E175-P253 WeakPolarHBondContact OE1-CB 3.3Å; E175-P253 WeakPolarHBondContact OE2-CB 3.35Å; P211-P253 HydrophobicContact CB-CG 4Å; P211-P253 HydrophobicContact CG-CG 3.93Å; P253-G255 PolarHBondContact O-N 2.91Å; P253-A256 PolarHBondContact O-N 3.27Å
254S92.9Very high95.9Very high21 Ų2149.2 Ų49.215%0.14724%0.237CC..G310 helixtrans-60.9-26.9-16662.20000114.3S176 V252 A256S176-S254 VanDerWaalsContact O-CB 3.31Å; S176-S254 WeakPolarHBondContact O-CB 3.42Å; S176-S254 PolarHBondContact O-N 2.78Å; S176-S254 PolarHBondContact O-OG 2.91Å; S176-S254 WeakPolarHBondContact OG-CB 3.29Å; S176-S254 PolarHBondContact OG-OG 3.06Å; S176-S254 VanDerWaalsContact OG-OG 3.09Å; V252-S254 PolarHBondContact O-N 3.33Å; S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.17Å
255G91.3Very high95.9Very high3 Ų350 Ų503%0.03124%0.242CC..G310 helixtrans-59.3-37.6175.800000113.4G114 P253 V257G114-G255 WeakPolarHBondContact CA-O 3.32Å; P253-G255 PolarHBondContact O-N 2.91Å; G255-V257 VanDerWaalsContact C-N 3.27Å; G255-V257 PolarHBondContact O-N 2.82Å
256A94Very high96Very high11 Ų1144.9 Ų44.99%0.09122%0.218CC..G310 helixtrans-73-16.5-172.900000114.5T110 L113 V252 P253 S254T110-A256 HydrophobicContact CG2-CB 4.01Å; L113-A256 HydrophobicContact CD1-CB 4.45Å; V252-A256 HydrophobicContact CG2-CB 3.91Å; P253-A256 PolarHBondContact O-N 3.27Å; S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.17Å
257V95.8Very high96Very high0 Ų039.7 Ų39.70%020%0.202CC..G310 helixtrans-118.313.2-175.4-66.20000113V180 W250 V252 G255 D259 D260 L261 L266V180-V257 HydrophobicContact CG1-CG2 4.15Å; V180-V257 HydrophobicContact CG2-CG1 4.38Å; W250-V257 HydrophobicContact CE3-CG1 4.13Å; W250-V257 HydrophobicContact CH2-CG1 4.21Å; W250-V257 HydrophobicContact CZ3-CG1 3.64Å; V252-V257 HydrophobicContact CB-CG1 4.46Å; V252-V257 HydrophobicContact CG1-CG1 3.81Å; V252-V257 HydrophobicContact CG1-CG2 3.89Å; V252-V257 HydrophobicContact CG2-CG1 3.95Å; G255-V257 VanDerWaalsContact C-N 3.27Å; G255-V257 PolarHBondContact O-N 2.82Å; V257-D259 VanDerWaalsContact C-N 3.32Å; V257-D259 PolarHBondContact O-N 3.44Å; V257-D260 HydrophobicContact CB-CB 4.37Å; V257-D260 PolarHBondContact O-N 3.17Å; V257-L261 HydrophobicContact CB-CG 4.45Å; V257-L261 HydrophobicContact CG2-CD1 4.03Å; V257-L261 HydrophobicContact CG2-CG 4.27Å; V257-L261 WeakPolarHBondContact O-CB 3.35Å; V257-L261 VanDerWaalsContact O-CG 3.24Å; V257-L261 WeakPolarHBondContact O-CG 3.24Å; V257-L261 PolarHBondContact O-N 2.93Å; V257-L266 HydrophobicContact CG1-CD1 4Å
258K93.5Very high96.1Very high93 Ų9339.7 Ų39.740%0.40421%0.208SC..Hα-helixtrans-53.6-48.2-179.2-76.7176.1176.1171.40112.2R262K258-R262 WeakPolarHBondContact O-CB 3.5Å; K258-R262 PolarHBondContact O-N 3.36Å
259D93.1Very high96Very high79 Ų7937.9 Ų37.942%0.42220%0.201SC..Hα-helixtrans-75.9-35.7-178.8-68.5-30.2000111.9V257 L261 R262 H263V257-D259 VanDerWaalsContact C-N 3.32Å; V257-D259 PolarHBondContact O-N 3.44Å; D259-L261 VanDerWaalsContact C-N 3.33Å; D259-L261 PolarHBondContact O-N 2.68Å; D259-R262 PolarHBondContact O-N 3.11Å; D259-R262 IonicContact OD1-CZ 3.62Å; D259-R262 IonicContact OD1-NH1 2.64Å; D259-R262 PolarHBondContact OD1-NH1 3.28Å; D259-R262 IonicContact OD1-NH2 3.86Å; D259-H263 WeakPolarHBondContact O-CB 3.41Å; D259-H263 PolarHBondContact O-CD2 3.45Å; D259-H263 PolarHBondContact O-N 3.45Å
260D96.7Very high95.8Very high16 Ų1642.6 Ų42.69%0.08623%0.232CC..Hα-helixtrans-60.7-41.9174.2-75.7-55000112.3R240 V257 A264 T265 L266R240-D260 IonicContact CZ-OD1 3.77Å; R240-D260 VanDerWaalsContact NE-CG 3.33Å; R240-D260 IonicContact NE-OD1 3.26Å; R240-D260 PolarHBondContact NE-OD1 2.93Å; R240-D260 IonicContact NE-OD2 3.43Å; R240-D260 PolarHBondContact NE-OD2 2.97Å; R240-D260 VanDerWaalsContact NE-OD2 3.13Å; R240-D260 IonicContact NH2-OD1 2.85Å; R240-D260 PolarHBondContact NH2-OD1 2.97Å; V257-D260 HydrophobicContact CB-CB 4.37Å; V257-D260 PolarHBondContact O-N 3.17Å; D260-A264 CarbonylContact O-C 3.37Å; D260-A264 WeakPolarHBondContact O-CA 3.41Å; D260-A264 PolarHBondContact O-N 3.06Å; D260-T265 PolarHBondContact O-N 2.98Å; D260-L266 HydrophobicContact CB-CB 3.94Å; D260-L266 HydrophobicContact CB-CD1 3.82Å; D260-L266 HydrophobicContact CB-CG 3.88Å; D260-L266 PolarHBondContact O-N 3Å
261L96.6Very high95.3Very high48 Ų4843.6 Ų43.625%0.25124%0.239SC..Hα-helixtrans-67.6-40.5174.7-66176.6000111.3K178 V180 V257 D259 H263 A264 A268K178-L261 HydrophobicContact CD-CD1 4.02Å; V180-L261 HydrophobicContact CG1-CD2 4.34Å; V257-L261 HydrophobicContact CB-CG 4.45Å; V257-L261 HydrophobicContact CG2-CD1 4.03Å; V257-L261 HydrophobicContact CG2-CG 4.27Å; V257-L261 WeakPolarHBondContact O-CB 3.35Å; V257-L261 VanDerWaalsContact O-CG 3.24Å; V257-L261 WeakPolarHBondContact O-CG 3.24Å; V257-L261 PolarHBondContact O-N 2.93Å; D259-L261 VanDerWaalsContact C-N 3.33Å; D259-L261 PolarHBondContact O-N 2.68Å; L261-H263 VanDerWaalsContact C-N 3.34Å; L261-H263 PolarHBondContact O-N 3.36Å; L261-A264 PolarHBondContact O-N 2.94Å; L261-A268 HydrophobicContact CD1-CB 4.49Å; L261-A268 HydrophobicContact CD2-CB 3.93Å
262R95.7Very high94.5Very high177 Ų17748.8 Ų48.867%0.66827%0.272SS*.Hα-helixtrans-63.4-40.1177.6-174.4-174.5-64.5147.24.5112.1K258 D259 A264K258-R262 WeakPolarHBondContact O-CB 3.5Å; K258-R262 PolarHBondContact O-N 3.36Å; D259-R262 PolarHBondContact O-N 3.11Å; D259-R262 IonicContact OD1-CZ 3.62Å; D259-R262 IonicContact OD1-NH1 2.64Å; D259-R262 PolarHBondContact OD1-NH1 3.28Å; D259-R262 IonicContact OD1-NH2 3.86Å; R262-A264 VanDerWaalsContact C-N 3.3Å
263H96.7Very high93.5Very high130 Ų13051.2 Ų51.260%0.60230%0.297SS*.THydrogen-bonded Turntrans-89.96.4179.5-66.3-58.7000113.3D259 L261 T265D259-H263 WeakPolarHBondContact O-CB 3.41Å; D259-H263 PolarHBondContact O-CD2 3.45Å; D259-H263 PolarHBondContact O-N 3.45Å; L261-H263 VanDerWaalsContact C-N 3.34Å; L261-H263 PolarHBondContact O-N 3.36Å; H263-T265 PolarHBondContact O-N 3.05Å; H263-T265 VanDerWaalsContact O-N 3.07Å
264A96.5Very high92.7Very high62 Ų6255.1 Ų55.151%0.51232%0.315SS..THydrogen-bonded Turntrans48.634.7-175.400000112.8P183 D260 L261 R262P183-A264 WeakPolarHBondContact CG-O 3.45Å; D260-A264 CarbonylContact O-C 3.37Å; D260-A264 WeakPolarHBondContact O-CA 3.41Å; D260-A264 PolarHBondContact O-N 3.06Å; L261-A264 PolarHBondContact O-N 2.94Å; R262-A264 VanDerWaalsContact C-N 3.3Å
265T97.3Very high92.2Very high50 Ų5057.3 Ų57.331%0.30734%0.34SS..SBendtrans-81.1-26.7169.8-52.60000110.8P183 V244 D260 H263P183-T265 WeakPolarHBondContact CD-O 3.29Å; V244-T265 HydrophobicContact CG2-CG2 4.18Å; D260-T265 PolarHBondContact O-N 2.98Å; H263-T265 PolarHBondContact O-N 3.05Å; H263-T265 VanDerWaalsContact O-N 3.07Å
266L98.3Very high91.7Very high2 Ų261.2 Ų61.21%0.0137%0.372CS..SBendtrans-130157.7167.7-63.1176.1000109.4V180 V181 T243 V244 W250 V257 D260V180-L266 HydrophobicContact CB-CB 4.35Å; V180-L266 HydrophobicContact CB-CD1 4.5Å; V180-L266 HydrophobicContact CG2-CD1 3.95Å; V181-L266 CarbonylContact O-C 3.56Å; V181-L266 WeakPolarHBondContact O-CA 3.44Å; T243-L266 HydrophobicContact CG2-CD2 3.43Å; T243-L266 VanDerWaalsContact CG2-CD2 3.43Å; V244-L266 HydrophobicContact CG2-CD2 3.91Å; W250-L266 HydrophobicContact CE3-CD1 4.32Å; W250-L266 HydrophobicContact CZ3-CD1 4.37Å; V257-L266 HydrophobicContact CG1-CD1 4Å; D260-L266 HydrophobicContact CB-CB 3.94Å; D260-L266 HydrophobicContact CB-CD1 3.82Å; D260-L266 HydrophobicContact CB-CG 3.88Å; D260-L266 PolarHBondContact O-N 3Å
267V98.1Very high91.3Very high45 Ų4561.3 Ų61.327%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-125.5130.8176.8178.60000108.2V180 V181 P183 L188V180-V267 VanDerWaalsContact CA-O 3.29Å; V180-V267 WeakPolarHBondContact CA-O 3.36Å; V181-V267 PolarHBondContact N-O 2.8Å; V181-V267 PolarHBondContact O-N 2.96Å; P183-V267 HydrophobicContact CB-CG2 4.05Å; P183-V267 HydrophobicContact CG-CG2 4.14Å; L188-V267 HydrophobicContact CD1-CB 4.13Å; L188-V267 HydrophobicContact CD1-CG1 4.16Å; L188-V267 HydrophobicContact CD1-CG2 4.35Å; L188-V267 HydrophobicContact CD2-CB 4.5Å; L188-V267 HydrophobicContact CD2-CG1 3.86Å
268A97.3Very high90.9Very high38 Ų3863.4 Ų63.431%0.31438%0.384SS..EExtended strand (participates in β ladder)trans-77.6129.7174.100000110.1K178 L179 V180 L261K178-A268 HydrophobicContact CD-CB 4.29Å; L179-A268 WeakPolarHBondContact O-CA 3.32Å; V180-A268 HydrophobicContact CG1-CB 4.35Å; L261-A268 HydrophobicContact CD1-CB 4.49Å; L261-A268 HydrophobicContact CD2-CB 3.93Å
269L96.8Very high90.8Very high11 Ų1161 Ų616%0.05838%0.378CS..  trans-69.6145.7173.7-65-178.6000110.4L179 V181 L187 L188 V192 V197 V249 V271L179-L269 HydrophobicContact CB-CB 4.34Å; L179-L269 HydrophobicContact CB-CD1 4.17Å; L179-L269 PolarHBondContact O-N 3.15Å; V181-L269 HydrophobicContact CG1-CD1 3.99Å; V181-L269 HydrophobicContact CG1-CD2 4.1Å; V181-L269 HydrophobicContact CG1-CG 4.12Å; V181-L269 HydrophobicContact CG2-CD2 3.64Å; V181-L269 HydrophobicContact CG2-CG 4.22Å; L187-L269 HydrophobicContact CB-CD2 4.48Å; L187-L269 HydrophobicContact CD1-CD1 4.25Å; L188-L269 HydrophobicContact CD2-CD2 3.81Å; V192-L269 HydrophobicContact CG1-CB 4.22Å; V192-L269 HydrophobicContact CG1-CD1 4.38Å; V192-L269 HydrophobicContact CG1-CD2 4.29Å; V192-L269 HydrophobicContact CG2-CD2 4.41Å; V197-L269 HydrophobicContact CG1-CD1 4.27Å; V197-L269 HydrophobicContact CG2-CD1 3.61Å; V249-L269 HydrophobicContact CG1-CD1 3.83Å; L269-V271 HydrophobicContact CB-CG2 4.21Å; L269-V271 PolarHBondContact O-N 3.21Å
270P93.1Very high90.9Very high99 Ų9957.2 Ų57.264%0.64336%0.358SS*.SBendtrans-77.847.6179.935.2-38.2000112.1V192V192-P270 HydrophobicContact CB-CG 3.97Å; V192-P270 HydrophobicContact CG1-CG 4.43Å; V192-P270 HydrophobicContact CG2-CG 4.26Å
271V88.5Confident90.9Very high27 Ų2756.4 Ų56.416%0.16435%0.353CS..PPolyproline II helixtrans-94.6119.8174.2-179.10000107.9L179 V192 L194 V197 L218 L269 G273L179-V271 HydrophobicContact CD2-CG2 4.45Å; V192-V271 HydrophobicContact CG1-CG2 4.11Å; L194-V271 HydrophobicContact CD1-CG1 4.44Å; V197-V271 HydrophobicContact CG2-CG2 4.49Å; L218-V271 HydrophobicContact CD1-CG1 4.43Å; L218-V271 HydrophobicContact CD2-CG1 4.44Å; L269-V271 HydrophobicContact CB-CG2 4.21Å; L269-V271 PolarHBondContact O-N 3.21Å; V271-G273 PolarHBondContact O-N 3.29Å
272P80.1Confident90.9Very high109 Ų10954.3 Ų54.371%0.70834%0.342SS*.PPolyproline II helixtrans-56.1131.6175.6-23.433000110.6L218L218-P272 WeakPolarHBondContact CD1-O 3.26Å
273G76.6Confident91Very high50 Ų5045.9 Ų45.952%0.51531%0.31SS..PPolyproline II helixtrans-65.7158.3173.700000111.8V271V271-G273 PolarHBondContact O-N 3.29Å
274H78.1Confident91Very high87 Ų8740.4 Ų40.440%0.40329%0.286SS..SBendtrans-95.6119.6172.6-177.6-84.7000110.4L218L218-H274 HydrophobicContact CB-CB 4.08Å; L218-H274 HydrophobicContact CD1-CB 4.13Å
275G82.7Confident90.9Very high66 Ų6638.7 Ų38.768%0.6827%0.266SS*.SBendtrans72.3-174.6177.300000114.9G277G275-G277 VanDerWaalsContact C-N 3.31Å; G275-G277 PolarHBondContact O-N 3.31Å
276A80.1Confident90.5Very high85 Ų8539.3 Ų39.370%0.70227%0.27SS*.SBendtrans-79.7-7.9-175.500000114.5L174L174-A276 HydrophobicContact CD1-CB 4.12Å
277G85.5Confident89.5Confident13 Ų1343.6 Ų43.613%0.13429%0.293CS..  trans101.1168.4-173.200000113.4E175 G275E175-G277 CarbonylContact O-C 3.56Å; E175-G277 VanDerWaalsContact O-CA 3.24Å; E175-G277 WeakPolarHBondContact O-CA 3.47Å; G275-G277 VanDerWaalsContact C-N 3.31Å; G275-G277 PolarHBondContact O-N 3.31Å
278E87.4Confident88.5Confident44 Ų4442.3 Ų42.321%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-93.5139.4-176.8-74.2-64.791.600112.7L174 E175 A210 H214 I280L174-E278 CarbonylContact C-O 3.52Å; L174-E278 WeakPolarHBondContact CA-O 3.23Å; E175-E278 PolarHBondContact N-O 3.07Å; E175-E278 PolarHBondContact O-N 3.21Å; A210-E278 HydrophobicContact CB-CG 4.26Å; A210-E278 VanDerWaalsContact CB-OE2 3.32Å; A210-E278 WeakPolarHBondContact CB-OE2 3.17Å; H214-E278 WeakPolarHBondContact CE1-CG 3.49Å; H214-E278 IonicContact CE1-OE1 2.95Å; H214-E278 PolarHBondContact CE1-OE1 2.95Å; H214-E278 IonicContact ND1-OE1 3.88Å; H214-E278 VanDerWaalsContact NE2-CD 3.3Å; H214-E278 IonicContact NE2-OE1 3.94Å; H214-E278 PolarHBondContact NE2-OE1 3.13Å; E278-I280 PolarHBondContact O-N 2.83Å
279P92.5Very high87.5Confident42 Ų4246.6 Ų46.627%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-70115.7178.530.8-35.5000111.4R157 Y169 L171 L174R157-P279 WeakPolarHBondContact CB-O 3.45Å; Y169-P279 VanDerWaalsContact OH-C 3.27Å; Y169-P279 WeakPolarHBondContact OH-CB 3.3Å; Y169-P279 PolarHBondContact OH-O 3.18Å; L171-P279 HydrophobicContact CD1-CB 3.5Å; L171-P279 VanDerWaalsContact CD1-CB 3.5Å; L174-P279 HydrophobicContact CD2-CB 4.09Å
280I94.9Very high86.8Confident0 Ų048.8 Ų48.80%032%0.319CS..EExtended strand (participates in β ladder)trans-103.3136167.7-61.9-61.9000108.3L108 A111 I115 I155 G156 L172 F173 E175 E278L108-I280 HydrophobicContact CD1-CD1 3.95Å; A111-I280 HydrophobicContact CB-CG2 4.19Å; I115-I280 HydrophobicContact CD1-CG2 4.19Å; I155-I280 HydrophobicContact CG2-CG2 4.25Å; G156-I280 WeakPolarHBondContact O-CA 3.43Å; L172-I280 WeakPolarHBondContact CA-O 3.48Å; L172-I280 WeakPolarHBondContact CB-O 3.45Å; L172-I280 PolarHBondContact N-O 2.71Å; F173-I280 HydrophobicContact CE1-CB 4.11Å; F173-I280 HydrophobicContact CE1-CG2 3.92Å; F173-I280 HydrophobicContact CE2-CB 4.19Å; F173-I280 HydrophobicContact CE2-CG1 4.34Å; F173-I280 HydrophobicContact CZ-CB 3.88Å; F173-I280 HydrophobicContact CZ-CG1 4.3Å; F173-I280 HydrophobicContact CZ-CG2 3.86Å; F173-I280 PolarHBondContact N-O 3.28Å; F173-I280 PolarHBondContact O-N 2.81Å; E175-I280 HydrophobicContact CB-CG1 3.73Å; E278-I280 PolarHBondContact O-N 2.83Å
281G96.2Very high86.3Confident0 Ų045.7 Ų45.70%030%0.299CS..EExtended strand (participates in β ladder)trans-151.8173.3-172.200000114.5G156 Y169 E170G156-G281 PolarHBondContact N-O 2.84Å; G156-G281 PolarHBondContact O-N 3.49Å; Y169-G281 PolarHBondContact OH-N 3.21Å; E170-G281 CarbonylContact O-C 3.58Å; E170-G281 WeakPolarHBondContact O-CA 3.28Å
282I97Very high86.1Confident3 Ų347 Ų472%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-85.7131.6171-53.8179.3000108.6I153 G154 I155 Y169 E170 L172 T284 I298 I301 R302I153-I282 HydrophobicContact CG2-CG2 3.89Å; G154-I282 CarbonylContact O-C 3.6Å; G154-I282 WeakPolarHBondContact O-CA 3.4Å; I155-I282 HydrophobicContact CD1-CG1 4.22Å; Y169-I282 WeakPolarHBondContact CA-O 3.29Å; E170-I282 HydrophobicContact CB-CB 4.41Å; E170-I282 PolarHBondContact N-O 3.42Å; E170-I282 PolarHBondContact O-N 3.18Å; L172-I282 HydrophobicContact CD1-CD1 4.37Å; L172-I282 HydrophobicContact CD1-CG1 3.63Å; L172-I282 HydrophobicContact CD2-CD1 3.85Å; L172-I282 HydrophobicContact CD2-CG1 3.77Å; L172-I282 HydrophobicContact CG-CD1 4.45Å; L172-I282 HydrophobicContact CG-CG1 3.82Å; I282-T284 HydrophobicContact CG2-CG2 4.02Å; I282-I298 HydrophobicContact CD1-CG2 4.17Å; I282-I301 HydrophobicContact CD1-CB 4Å; I282-I301 HydrophobicContact CD1-CD1 4.47Å; I282-I301 HydrophobicContact CD1-CG2 3.65Å; I282-I301 HydrophobicContact CG1-CG2 3.93Å; I282-R302 HydrophobicContact CD1-CG 4.23Å
283L97.8Very high86.5Confident0 Ų041.8 Ų41.80%028%0.276CS..EExtended strand (participates in β ladder)trans-111.8130.1172.6-68.7156.6000109.1I142 L143 L146 G154 M164 N168 Y169I142-L283 HydrophobicContact CG2-CD1 4.17Å; L143-L283 HydrophobicContact CD2-CD1 3.75Å; L143-L283 HydrophobicContact CD2-CD2 3.9Å; L143-L283 HydrophobicContact CD2-CG 4.39Å; L146-L283 HydrophobicContact CD1-CB 3.47Å; L146-L283 VanDerWaalsContact CD1-CB 3.47Å; G154-L283 PolarHBondContact N-O 3.06Å; G154-L283 PolarHBondContact O-N 2.82Å; M164-L283 HydrophobicContact CE-CD2 3.49Å; M164-L283 VanDerWaalsContact CE-CD2 3.49Å; M164-L283 HydrophobicContact SD-CD2 4.13Å; N168-L283 WeakPolarHBondContact O-CA 3.49Å; Y169-L283 HydrophobicContact CD2-CD2 3.68Å; Y169-L283 HydrophobicContact CD2-CG 4.06Å; Y169-L283 HydrophobicContact CG-CD2 4.42Å
284T96.8Very high87.2Confident15 Ų1539.4 Ų39.49%0.09225%0.252CS..EExtended strand (participates in β ladder)trans-142.7170.6174.855.60000110L167 N168 I282 F290 I298L167-T284 CarbonylContact C-O 3.47Å; L167-T284 VanDerWaalsContact CA-O 3.24Å; L167-T284 WeakPolarHBondContact CA-O 3.42Å; N168-T284 PolarHBondContact N-O 3.14Å; N168-T284 PolarHBondContact O-N 2.75Å; N168-T284 VanDerWaalsContact O-N 3.07Å; I282-T284 HydrophobicContact CG2-CG2 4.02Å; T284-F290 HydrophobicContact CG2-CE1 3.92Å; T284-F290 HydrophobicContact CG2-CZ 3.69Å; T284-I298 HydrophobicContact CG2-CD1 4.06Å
285R94.1Very high87.8Confident26 Ų2640.2 Ų40.210%0.09826%0.255CS..EExtended strand (participates in β ladder)trans-81.7142.5171-51.1175.6-58.8-150.46.2110.3D83 L146 G166 L167 D287 A288D83-R285 IonicContact OD2-CZ 3.04Å; D83-R285 IonicContact OD2-NH1 2.67Å; D83-R285 PolarHBondContact OD2-NH1 3.31Å; D83-R285 IonicContact OD2-NH2 2.9Å; D83-R285 PolarHBondContact OD2-NH2 3.2Å; L146-R285 VanDerWaalsContact O-CD 3.22Å; L146-R285 WeakPolarHBondContact O-CD 3.35Å; G166-R285 WeakPolarHBondContact O-CA 3.45Å; L167-R285 HydrophobicContact CD2-CG 4.1Å; R285-D287 VanDerWaalsContact C-N 3.29Å; R285-D287 PolarHBondContact O-N 3.15Å; R285-A288 HydrophobicContact CB-CB 4.18Å; R285-A288 PolarHBondContact O-N 3.25Å
286V88.1Confident88.2Confident64 Ų6439.6 Ų39.639%0.38824%0.236SC..THydrogen-bonded Turntrans-52-42.6-174.5175.80000113.4G166 N168G166-V286 VanDerWaalsContact C-CG2 3.5Å; G166-V286 WeakPolarHBondContact O-CG2 3.41Å; G166-V286 PolarHBondContact O-N 3.45Å; N168-V286 WeakPolarHBondContact OD1-CG2 3.4Å
287D77.1Confident88.9Confident92 Ų9235.5 Ų35.549%0.49220%0.203SC..THydrogen-bonded Turntrans-119.238.9-177.2-50.1-57.6000112R80 R285 T289R80-D287 VanDerWaalsContact CZ-CB 3.47Å; R80-D287 IonicContact CZ-OD2 2.67Å; R80-D287 IonicContact NH1-OD2 3.32Å; R80-D287 PolarHBondContact NH1-OD2 3.47Å; R80-D287 IonicContact NH2-OD2 3.78Å; R80-D287 PolarHBondContact NH2-OD2 3.46Å; R285-D287 VanDerWaalsContact C-N 3.29Å; R285-D287 PolarHBondContact O-N 3.15Å; D287-T289 PolarHBondContact O-N 3.31Å
288A77.2Confident89.3Confident18 Ų1835.4 Ų35.415%0.14920%0.199CC..  trans-68.9126.1175.400000111.3R285 F290R285-A288 HydrophobicContact CB-CB 4.18Å; R285-A288 PolarHBondContact O-N 3.25Å; A288-F290 HydrophobicContact CB-CD1 3.92Å; A288-F290 HydrophobicContact CB-CE1 3.5Å; A288-F290 HydrophobicContact CB-CE2 4.34Å; A288-F290 HydrophobicContact CB-CZ 3.73Å; A288-F290 PolarHBondContact O-N 3.16Å; A288-F290 VanDerWaalsContact O-N 3.14Å
289T77.1Confident89.6Confident128 Ų12836.6 Ų36.679%0.78521%0.207SC*.  trans-77.394.7161.9-46.60000108.5D287D287-T289 PolarHBondContact O-N 3.31Å
290F82.9Confident89.6Confident56 Ų5635.1 Ų35.125%0.24620%0.198CC..  trans-70.1138.2178.7-61-58.7000111.6T284 A288 C294 Q295 I298T284-F290 HydrophobicContact CG2-CE1 3.92Å; T284-F290 HydrophobicContact CG2-CZ 3.69Å; A288-F290 HydrophobicContact CB-CD1 3.92Å; A288-F290 HydrophobicContact CB-CE1 3.5Å; A288-F290 HydrophobicContact CB-CE2 4.34Å; A288-F290 HydrophobicContact CB-CZ 3.73Å; A288-F290 PolarHBondContact O-N 3.16Å; A288-F290 VanDerWaalsContact O-N 3.14Å; F290-C294 HydrophobicContact CB-CB 4.07Å; F290-C294 HydrophobicContact CD1-CB 4.3Å; F290-C294 WeakPolarHBondContact CD1-SG 3.5Å; F290-Q295 HydrophobicContact CB-CG 3.56Å; F290-Q295 HydrophobicContact CD2-CG 4.49Å; F290-Q295 HydrophobicContact CG-CG 4.42Å; F290-I298 HydrophobicContact CD1-CD1 4.25Å; F290-I298 HydrophobicContact CD2-CD1 4.3Å; F290-I298 HydrophobicContact CE1-CD1 3.98Å; F290-I298 HydrophobicContact CE2-CD1 4.07Å; F290-I298 HydrophobicContact CG-CD1 4.39Å; F290-I298 HydrophobicContact CZ-CD1 3.89Å
291S82Confident89.6Confident34 Ų3435.1 Ų35.124%0.23820%0.198CC..  trans-65.2164.6164.470.80000110.7D101 G293 C294 Q295D101-S291 VanDerWaalsContact OD1-CB 3.31Å; D101-S291 WeakPolarHBondContact OD1-CB 3.47Å; D101-S291 PolarHBondContact OD1-OG 2.88Å; D101-S291 WeakPolarHBondContact OD2-CB 3.42Å; D101-S291 PolarHBondContact OD2-OG 3.19Å; S291-G293 VanDerWaalsContact C-N 3.28Å; S291-G293 PolarHBondContact O-N 3.31Å; S291-C294 PolarHBondContact O-N 3.15Å; S291-C294 VanDerWaalsContact O-N 3.16Å; S291-C294 PolarHBondContact OG-N 3.18Å; S291-Q295 PolarHBondContact O-N 3.37Å
292S84.1Confident89.4Confident54 Ų5440.1 Ų40.138%0.37822%0.217SC..Hα-helixtrans-56.7-42.1174.946.80000112.2C294 Q295 L296S292-C294 VanDerWaalsContact C-N 3.35Å; S292-C294 PolarHBondContact O-N 3.41Å; S292-Q295 PolarHBondContact O-N 3.35Å; S292-L296 WeakPolarHBondContact O-CB 3.19Å; S292-L296 VanDerWaalsContact O-CG 3.31Å; S292-L296 WeakPolarHBondContact O-CG 3.4Å; S292-L296 PolarHBondContact O-N 3.28Å; S292-L296 VanDerWaalsContact O-N 3.07Å
293G88.6Confident89.1Confident0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-63.8-40.8177.200000111.8D101 F123 S291 L296 M297D101-G293 WeakPolarHBondContact OD2-CA 3.21Å; D101-G293 PolarHBondContact OD2-N 3.14Å; F123-G293 WeakPolarHBondContact CE2-O 3.33Å; S291-G293 VanDerWaalsContact C-N 3.28Å; S291-G293 PolarHBondContact O-N 3.31Å; G293-L296 PolarHBondContact O-N 3.29Å; G293-M297 WeakPolarHBondContact O-CB 3.43Å; G293-M297 PolarHBondContact O-N 2.77Å
294C90.8Very high88.5Confident1 Ų148.8 Ų48.81%0.00726%0.258CS..Hα-helixtrans-65-44.7178.7-172.90000112.1V103 I153 F290 S291 S292 L296 M297 I298V103-C294 HydrophobicContact CG1-CB 4.28Å; V103-C294 HydrophobicContact CG2-CB 4.32Å; I153-C294 VanDerWaalsContact CG1-SG 3.54Å; F290-C294 HydrophobicContact CB-CB 4.07Å; F290-C294 HydrophobicContact CD1-CB 4.3Å; F290-C294 WeakPolarHBondContact CD1-SG 3.5Å; S291-C294 PolarHBondContact O-N 3.15Å; S291-C294 VanDerWaalsContact O-N 3.16Å; S291-C294 PolarHBondContact OG-N 3.18Å; S292-C294 VanDerWaalsContact C-N 3.35Å; S292-C294 PolarHBondContact O-N 3.41Å; C294-L296 PolarHBondContact O-N 2.97Å; C294-M297 PolarHBondContact O-N 3.48Å; C294-I298 WeakPolarHBondContact O-CG1 3.33Å; C294-I298 PolarHBondContact O-N 2.99Å
295Q90.9Very high87.8Confident103 Ų10349.2 Ų49.248%0.48126%0.259SS..Hα-helixtrans-60.9-43.3175.3-67.8-178.7-5.500112.3F290 S291 S292 M297 I298 N299F290-Q295 HydrophobicContact CB-CG 3.56Å; F290-Q295 HydrophobicContact CD2-CG 4.49Å; F290-Q295 HydrophobicContact CG-CG 4.42Å; S291-Q295 PolarHBondContact O-N 3.37Å; S292-Q295 PolarHBondContact O-N 3.35Å; Q295-M297 VanDerWaalsContact C-N 3.34Å; Q295-I298 PolarHBondContact O-N 3.11Å; Q295-N299 WeakPolarHBondContact O-CB 3.34Å; Q295-N299 VanDerWaalsContact O-CG 3.3Å; Q295-N299 PolarHBondContact O-N 3.26Å; Q295-N299 PolarHBondContact O-ND2 3.11Å
296L91.5Very high86.5Confident53 Ų5352.1 Ų52.128%0.27728%0.281SS..Hα-helixtrans-65.2-38.1177.4-72.9172.8000111.9F123 Q127 S292 G293 C294 N299 A300F123-L296 HydrophobicContact CD2-CB 4.31Å; F123-L296 HydrophobicContact CE2-CB 3.82Å; Q127-L296 VanDerWaalsContact CD-CD1 3.42Å; Q127-L296 HydrophobicContact CG-CD1 3.52Å; S292-L296 WeakPolarHBondContact O-CB 3.19Å; S292-L296 VanDerWaalsContact O-CG 3.31Å; S292-L296 WeakPolarHBondContact O-CG 3.4Å; S292-L296 PolarHBondContact O-N 3.28Å; S292-L296 VanDerWaalsContact O-N 3.07Å; G293-L296 PolarHBondContact O-N 3.29Å; C294-L296 PolarHBondContact O-N 2.97Å; L296-N299 PolarHBondContact O-N 2.85Å; L296-A300 WeakPolarHBondContact O-CB 2.94Å; L296-A300 PolarHBondContact O-N 2.94Å
297M94.1Very high84.5Confident0 Ų062.2 Ų62.20%032%0.32CS..Hα-helixtrans-64.4-47175.6-174.561.7-178.700111.5V103 V105 L116 V119 I120 F123 L132 I153 G293 C294 Q295 N299 A300 I301V103-M297 HydrophobicContact CG1-CB 4.4Å; V105-M297 HydrophobicContact CG2-CE 4.34Å; V105-M297 HydrophobicContact CG2-CG 4.5Å; L116-M297 HydrophobicContact CD2-CE 4.05Å; V119-M297 HydrophobicContact CG1-CE 3.5Å; V119-M297 VanDerWaalsContact CG1-CE 3.5Å; V119-M297 HydrophobicContact CG1-SD 3.76Å; I120-M297 HydrophobicContact CG1-CE 4.1Å; F123-M297 HydrophobicContact CB-SD 4.28Å; F123-M297 HydrophobicContact CD2-CB 4.14Å; F123-M297 HydrophobicContact CD2-SD 4.09Å; F123-M297 HydrophobicContact CE2-CB 3.98Å; F123-M297 HydrophobicContact CG-SD 4.06Å; L132-M297 HydrophobicContact CD1-SD 4.46Å; I153-M297 HydrophobicContact CD1-CB 3.81Å; I153-M297 HydrophobicContact CD1-CG 3.7Å; G293-M297 WeakPolarHBondContact O-CB 3.43Å; G293-M297 PolarHBondContact O-N 2.77Å; C294-M297 PolarHBondContact O-N 3.48Å; Q295-M297 VanDerWaalsContact C-N 3.34Å; M297-N299 VanDerWaalsContact C-N 3.29Å; M297-N299 PolarHBondContact O-N 2.76Å; M297-A300 PolarHBondContact O-N 3.03Å; M297-A300 VanDerWaalsContact O-N 3.13Å; M297-I301 HydrophobicContact CE-CD1 4.36Å; M297-I301 HydrophobicContact CE-CG1 4.36Å; M297-I301 HydrophobicContact CG-CD1 4.19Å; M297-I301 WeakPolarHBondContact O-CD1 3.21Å; M297-I301 VanDerWaalsContact O-CG1 3.29Å; M297-I301 WeakPolarHBondContact O-CG1 3.43Å; M297-I301 PolarHBondContact O-N 2.99Å
298I94.3Very high84.8Confident10 Ų1060.7 Ų60.75%0.05131%0.312CS..Hα-helixtrans-56.4-45.1174.7-68.2169.3000110.6I153 I282 T284 F290 C294 Q295 A300 I301 R302I153-I298 HydrophobicContact CD1-CD1 4.44Å; I153-I298 HydrophobicContact CD1-CG1 3.73Å; I153-I298 HydrophobicContact CG1-CD1 4.35Å; I153-I298 HydrophobicContact CG1-CG1 4.03Å; I282-I298 HydrophobicContact CD1-CG2 4.17Å; T284-I298 HydrophobicContact CG2-CD1 4.06Å; F290-I298 HydrophobicContact CD1-CD1 4.25Å; F290-I298 HydrophobicContact CD2-CD1 4.3Å; F290-I298 HydrophobicContact CE1-CD1 3.98Å; F290-I298 HydrophobicContact CE2-CD1 4.07Å; F290-I298 HydrophobicContact CG-CD1 4.39Å; F290-I298 HydrophobicContact CZ-CD1 3.89Å; C294-I298 WeakPolarHBondContact O-CG1 3.33Å; C294-I298 PolarHBondContact O-N 2.99Å; Q295-I298 PolarHBondContact O-N 3.11Å; I298-A300 PolarHBondContact O-N 3.25Å; I298-I301 PolarHBondContact O-N 3.07Å; I298-R302 WeakPolarHBondContact O-CG 3.27Å; I298-R302 PolarHBondContact O-N 2.64Å
299N92.9Very high85.3Confident69 Ų6962.9 Ų62.937%0.36932%0.32SS..Hα-helixtrans-66.3-36.3177.9-71.5-23.7000112.9Q295 L296 M297 R302 K303Q295-N299 WeakPolarHBondContact O-CB 3.34Å; Q295-N299 VanDerWaalsContact O-CG 3.3Å; Q295-N299 PolarHBondContact O-N 3.26Å; Q295-N299 PolarHBondContact O-ND2 3.11Å; L296-N299 PolarHBondContact O-N 2.85Å; M297-N299 VanDerWaalsContact C-N 3.29Å; M297-N299 PolarHBondContact O-N 2.76Å; N299-R302 PolarHBondContact O-N 2.62Å; N299-R302 PolarHBondContact OD1-NH1 3.27Å; N299-K303 WeakPolarHBondContact O-CG 3.32Å; N299-K303 PolarHBondContact O-N 2.94Å
300A93.6Very high85.7Confident11 Ų1159.3 Ų59.39%0.09130%0.295CS..Hα-helixtrans-66-38.5174.700000111.7V119 F123 L296 M297 I298 K303 S304V119-A300 HydrophobicContact CG1-CB 3.95Å; F123-A300 HydrophobicContact CB-CB 4.39Å; L296-A300 WeakPolarHBondContact O-CB 2.94Å; L296-A300 PolarHBondContact O-N 2.94Å; M297-A300 PolarHBondContact O-N 3.03Å; M297-A300 VanDerWaalsContact O-N 3.13Å; I298-A300 PolarHBondContact O-N 3.25Å; A300-K303 PolarHBondContact O-N 2.97Å; A300-S304 PolarHBondContact O-N 3.14Å; A300-S304 PolarHBondContact O-OG 3.15Å
301I94.7Very high85.9Confident0 Ų059.5 Ų59.50%030%0.297CS..Hα-helixtrans-60.8-52.1174.1-64.2157.4000110V119 I153 I155 L172 I282 M297 I298 K303 S304 M305V119-I301 HydrophobicContact CG1-CB 4.49Å; V119-I301 HydrophobicContact CG1-CG1 3.64Å; V119-I301 HydrophobicContact CG2-CG1 4.26Å; I153-I301 HydrophobicContact CG2-CD1 4.06Å; I155-I301 HydrophobicContact CD1-CD1 3.83Å; I155-I301 HydrophobicContact CD1-CG1 4.46Å; I155-I301 HydrophobicContact CD1-CG2 4.13Å; L172-I301 HydrophobicContact CD1-CG2 3.53Å; L172-I301 HydrophobicContact CD2-CG2 4.22Å; I282-I301 HydrophobicContact CD1-CB 4Å; I282-I301 HydrophobicContact CD1-CD1 4.47Å; I282-I301 HydrophobicContact CD1-CG2 3.65Å; I282-I301 HydrophobicContact CG1-CG2 3.93Å; M297-I301 HydrophobicContact CE-CD1 4.36Å; M297-I301 HydrophobicContact CE-CG1 4.36Å; M297-I301 HydrophobicContact CG-CD1 4.19Å; M297-I301 WeakPolarHBondContact O-CD1 3.21Å; M297-I301 VanDerWaalsContact O-CG1 3.29Å; M297-I301 WeakPolarHBondContact O-CG1 3.43Å; M297-I301 PolarHBondContact O-N 2.99Å; I298-I301 PolarHBondContact O-N 3.07Å; I301-K303 VanDerWaalsContact C-N 3.32Å; I301-K303 PolarHBondContact O-N 3.2Å; I301-S304 PolarHBondContact O-N 2.74Å; I301-S304 VanDerWaalsContact O-N 3.08Å; I301-M305 HydrophobicContact CG2-CE 4.32Å; I301-M305 WeakPolarHBondContact O-CE 3.34Å
302R92.8Very high86.1Confident105 Ų10561.1 Ų61.140%0.39630%0.301SS..Hα-helixtrans-55.5-44.7178.9-72.3172.4175.4154.3-2.3112.7E170 I282 I298 N299 S304 M305E170-R302 WeakPolarHBondContact OE1-CG 3.42Å; E170-R302 IonicContact OE1-CZ 3.09Å; E170-R302 IonicContact OE1-NE 3.77Å; E170-R302 PolarHBondContact OE1-NE 2.87Å; E170-R302 IonicContact OE1-NH2 2.93Å; E170-R302 IonicContact OE2-CZ 3.66Å; E170-R302 IonicContact OE2-NE 3.99Å; E170-R302 PolarHBondContact OE2-NE 2.95Å; E170-R302 VanDerWaalsContact OE2-NE 3.13Å; E170-R302 IonicContact OE2-NH2 2.81Å; E170-R302 PolarHBondContact OE2-NH2 3Å; I282-R302 HydrophobicContact CD1-CG 4.23Å; I298-R302 WeakPolarHBondContact O-CG 3.27Å; I298-R302 PolarHBondContact O-N 2.64Å; N299-R302 PolarHBondContact O-N 2.62Å; N299-R302 PolarHBondContact OD1-NH1 3.27Å; R302-S304 PolarHBondContact O-N 3.09Å; R302-M305 PolarHBondContact O-N 3.01Å
303K89.7Confident86.2Confident159 Ų15961.6 Ų61.669%0.69130%0.296SS*.Hα-helixtrans-67.7-21.6180-74.3178.1-179.7-1780114N299 A300 I301N299-K303 WeakPolarHBondContact O-CG 3.32Å; N299-K303 PolarHBondContact O-N 2.94Å; A300-K303 PolarHBondContact O-N 2.97Å; I301-K303 VanDerWaalsContact C-N 3.32Å; I301-K303 PolarHBondContact O-N 3.2Å
304S84.9Confident86.1Confident27 Ų2766 Ų6619%0.18932%0.317CS..THydrogen-bonded Turntrans-89.3-3.9-177.5-59.30000113.2V119 A300 I301 R302V119-S304 WeakPolarHBondContact CG2-OG 3.41Å; A300-S304 PolarHBondContact O-N 3.14Å; A300-S304 PolarHBondContact O-OG 3.15Å; I301-S304 PolarHBondContact O-N 2.74Å; I301-S304 VanDerWaalsContact O-N 3.08Å; R302-S304 PolarHBondContact O-N 3.09Å
305M82.4Confident85.7Confident24 Ų2471 Ų7112%0.11834%0.341CS..SBendtrans-88.5139.3-179.9-62.5-54.3112.300111.7I115 L172 F173 I301 R302 F307I115-M305 HydrophobicContact CB-CE 4.3Å; I115-M305 HydrophobicContact CG1-CE 4.06Å; I115-M305 HydrophobicContact CG2-CE 3.49Å; I115-M305 VanDerWaalsContact CG2-CE 3.49Å; L172-M305 HydrophobicContact CB-CG 3.8Å; L172-M305 HydrophobicContact CB-SD 3.89Å; L172-M305 HydrophobicContact CD1-CE 4.49Å; L172-M305 HydrophobicContact CD1-CG 4.25Å; L172-M305 HydrophobicContact CD1-SD 4.07Å; L172-M305 HydrophobicContact CD2-CG 3.75Å; L172-M305 HydrophobicContact CG-CG 4.14Å; L172-M305 HydrophobicContact CG-SD 4.42Å; F173-M305 HydrophobicContact CD1-SD 3.45Å; F173-M305 WeakPolarHBondContact CD1-SD 3.5Å; F173-M305 HydrophobicContact CE1-SD 3.69Å; I301-M305 HydrophobicContact CG2-CE 4.32Å; I301-M305 WeakPolarHBondContact O-CE 3.34Å; R302-M305 PolarHBondContact O-N 3.01Å; M305-F307 PolarHBondContact O-N 3Å
306P66.2Low85.3Confident86 Ų8668.3 Ų68.356%0.55833%0.329SS*.  trans-67.612916528.4-29.8000109
307F46.2Very low84.7Confident276 Ų27669.7 Ų69.7100%1.21133%0.334SS*.  trans-70.20166.4-71.8-80.1000110.7M305M305-F307 PolarHBondContact O-N 3Å

Retrieved 307 of 307 residues in 141 ms (Link to these results)

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