A0A096MTK8_PAPAN Loading...

ADP-ribosylation factor-like protein 6

AlphaFold DB (A0A0D9R0X9), UniProt , Accession A0A096MTK8, Species PAPAN (Papio anubis, Olive baboon), Gene ARL6, Length 186 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
1M57.9Low74.6Confident185 Ų185107.3 Ų107.391%0.91156%0.563SS**  0127.20-79.7-179.4-177.600109.2
2G80.9Confident74.2Confident48 Ų48103.8 Ų103.850%0.49557%0.573SS.*  trans-82.9170.9-179.800000114L4 D5 R6G2-L4 VanDerWaalsContact C-N 3.34Å; G2-L4 PolarHBondContact O-N 3.33Å; G2-D5 PolarHBondContact O-N 2.92Å; G2-R6 PolarHBondContact O-N 3.35Å
3L80.2Confident74.4Confident143 Ų143106.5 Ų106.575%0.74959%0.585SS**Hα-helixtrans-60.6-39.8-177.1-16281.5000112.8D5 R6 L7L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.34Å; L3-R6 PolarHBondContact O-N 3.48Å; L3-L7 PolarHBondContact O-N 3.16Å
4L78.9Confident74.7Confident145 Ų145104.8 Ų104.876%0.75957%0.569SS**Hα-helixtrans-63.9-35.9179.5-64.8175.7000112.9G2 R6 L7 S8G2-L4 VanDerWaalsContact C-N 3.34Å; G2-L4 PolarHBondContact O-N 3.33Å; L4-R6 VanDerWaalsContact C-N 3.35Å; L4-L7 PolarHBondContact O-N 3.48Å; L4-S8 PolarHBondContact O-N 3.42Å; L4-S8 PolarHBondContact O-OG 2.98Å
5D73.5Confident75.3Confident54 Ų54103 Ų10329%0.28955%0.553SS.*Hα-helixtrans-74.2-29.9179.3-150.731000111.3G2 L3 S8 V9 K14G2-D5 PolarHBondContact O-N 2.92Å; L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.34Å; D5-S8 WeakPolarHBondContact CA-OG 3.35Å; D5-S8 PolarHBondContact O-OG 3.44Å; D5-V9 WeakPolarHBondContact O-CG2 3.41Å; D5-V9 PolarHBondContact O-N 3.38Å; D5-K14 WeakPolarHBondContact OD1-CD 3.03Å; D5-K14 IonicContact OD1-NZ 2.75Å; D5-K14 PolarHBondContact OD1-NZ 3.47Å; D5-K14 IonicContact OD2-NZ 3.26Å; D5-K14 PolarHBondContact OD2-NZ 3.32Å
6R72.7Confident76.2Confident178 Ų17899.7 Ų99.767%0.67253%0.532SS*.Hα-helixtrans-70.4-40.3169.8-68.3-176.2173.7-174.1-1.3111.5G2 L3 L4 V9 L10G2-R6 PolarHBondContact O-N 3.35Å; L3-R6 PolarHBondContact O-N 3.48Å; L4-R6 VanDerWaalsContact C-N 3.35Å; R6-V9 PolarHBondContact O-N 2.86Å; R6-L10 WeakPolarHBondContact O-CB 3.3Å; R6-L10 PolarHBondContact O-N 3.22Å
7L76.3Confident77.2Confident88 Ų8898.8 Ų98.846%0.46152%0.524SS..Hα-helixtrans-65.2-41.3178.5-149.492.9000111.3L3 L4 V9 L10 L11L3-L7 PolarHBondContact O-N 3.16Å; L4-L7 PolarHBondContact O-N 3.48Å; L7-V9 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.46Å; L7-L11 HydrophobicContact CD2-CD1 3.91Å; L7-L11 HydrophobicContact CG-CD1 4.13Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.13Å; L7-L11 PolarHBondContact O-N 3.42Å
8S74.8Confident78.3Confident24 Ų2493.3 Ų93.317%0.16850%0.495CS..Hα-helixtrans-66-36177.765.40000112.5L4 D5 G12 L13 K14L4-S8 PolarHBondContact O-N 3.42Å; L4-S8 PolarHBondContact O-OG 2.98Å; D5-S8 WeakPolarHBondContact CA-OG 3.35Å; D5-S8 PolarHBondContact O-OG 3.44Å; S8-G12 PolarHBondContact O-N 3.5Å; S8-L13 WeakPolarHBondContact O-CA 3.42Å; S8-L13 WeakPolarHBondContact O-CB 3.25Å; S8-L13 PolarHBondContact O-N 3.44Å; S8-K14 PolarHBondContact O-N 2.96Å; S8-K14 VanDerWaalsContact O-N 3.16Å
9V75.3Confident79.3Confident54 Ų5491.6 Ų91.633%0.32748%0.484SS..Hα-helixtrans-67.8-42.4171174.50000111.3D5 R6 L7 L11 G12 K14 K16D5-V9 WeakPolarHBondContact O-CG2 3.41Å; D5-V9 PolarHBondContact O-N 3.38Å; R6-V9 PolarHBondContact O-N 2.86Å; L7-V9 PolarHBondContact O-N 3.26Å; V9-L11 PolarHBondContact O-N 3.06Å; V9-G12 PolarHBondContact O-N 3.02Å; V9-G12 VanDerWaalsContact O-N 3.16Å; V9-K14 WeakPolarHBondContact CA-O 3.32Å; V9-K14 HydrophobicContact CG2-CB 4.17Å; V9-K14 HydrophobicContact CG2-CG 4.46Å; V9-K16 HydrophobicContact CG1-CB 4.49Å
10L71.9Confident80.2Confident149 Ų14987 Ų8778%0.7846%0.46SS*.Hα-helixtrans-63.5-40.2178.9-168.180.3000112.2R6 L7 G12R6-L10 WeakPolarHBondContact O-CB 3.3Å; R6-L10 PolarHBondContact O-N 3.22Å; L7-L10 PolarHBondContact O-N 3.46Å; L10-G12 PolarHBondContact O-N 3.31Å
11L77.8Confident81.1Confident112 Ų11282.9 Ų82.959%0.58644%0.438SS*.THydrogen-bonded Turntrans-79.23177.8-65.9173.2000113.1L7 V9 L13L7-L11 HydrophobicContact CD2-CD1 3.91Å; L7-L11 HydrophobicContact CG-CD1 4.13Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.13Å; L7-L11 PolarHBondContact O-N 3.42Å; V9-L11 PolarHBondContact O-N 3.06Å; L11-L13 HydrophobicContact CB-CD1 4.14Å; L11-L13 HydrophobicContact CB-CG 4.04Å; L11-L13 HydrophobicContact CD1-CD1 4.34Å; L11-L13 PolarHBondContact O-N 3.49Å
12G70.8Confident83.1Confident66 Ų6674 Ų7468%0.6839%0.394SS*.THydrogen-bonded Turntrans72.57.7-179.900000114.9S8 V9 L10 K14S8-G12 PolarHBondContact O-N 3.5Å; V9-G12 PolarHBondContact O-N 3.02Å; V9-G12 VanDerWaalsContact O-N 3.16Å; L10-G12 PolarHBondContact O-N 3.31Å; G12-K14 VanDerWaalsContact C-N 3.3Å; G12-K14 PolarHBondContact O-N 3.27Å
13L76.3Confident83.9Confident138 Ų13871.8 Ų71.872%0.72337%0.371SS*.SBendtrans-73.6-21.9179.2-58.5174.1000112.3S8 L11S8-L13 WeakPolarHBondContact O-CA 3.42Å; S8-L13 WeakPolarHBondContact O-CB 3.25Å; S8-L13 PolarHBondContact O-N 3.44Å; L11-L13 HydrophobicContact CB-CD1 4.14Å; L11-L13 HydrophobicContact CB-CG 4.04Å; L11-L13 HydrophobicContact CD1-CD1 4.34Å; L11-L13 PolarHBondContact O-N 3.49Å
14K78.4Confident84.8Confident83 Ų8365 Ų6536%0.36134%0.335SS..SBendtrans-139.3133.4179.5-170.8175.1173.5-174.80111.2D5 S8 V9 G12D5-K14 WeakPolarHBondContact OD1-CD 3.03Å; D5-K14 IonicContact OD1-NZ 2.75Å; D5-K14 PolarHBondContact OD1-NZ 3.47Å; D5-K14 IonicContact OD2-NZ 3.26Å; D5-K14 PolarHBondContact OD2-NZ 3.32Å; S8-K14 PolarHBondContact O-N 2.96Å; S8-K14 VanDerWaalsContact O-N 3.16Å; V9-K14 WeakPolarHBondContact CA-O 3.32Å; V9-K14 HydrophobicContact CG2-CB 4.17Å; V9-K14 HydrophobicContact CG2-CG 4.46Å; G12-K14 VanDerWaalsContact C-N 3.3Å; G12-K14 PolarHBondContact O-N 3.27Å
15K84Confident85.8Confident78 Ų7858.5 Ų58.534%0.33930%0.301SS..PPolyproline II helixtrans-73.4140.5173.2-69.3-176.2177.4-177.30110.4E17 S60 S61K15-E17 PolarHBondContact O-N 2.96Å; K15-S60 PolarHBondContact NZ-O 3.38Å; K15-S61 WeakPolarHBondContact CE-O 3.39Å; K15-S61 PolarHBondContact NZ-O 3.03Å
16K89.6Confident86.9Confident50 Ų5058.3 Ų58.322%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-62127.6173.5-178-164.8177.1-159.30109V9 V18 L63 S64V9-K16 HydrophobicContact CG1-CB 4.49Å; K16-V18 HydrophobicContact CD-CG2 4.37Å; K16-V18 HydrophobicContact CG-CG2 4.5Å; K16-L63 HydrophobicContact CB-CD2 3.85Å; K16-L63 HydrophobicContact CD-CD2 4.12Å; K16-L63 HydrophobicContact CG-CD2 4.4Å; K16-S64 PolarHBondContact O-N 3.44Å
17E93.4Very high88.2Confident85 Ų8555.2 Ų55.240%0.39730%0.297SS..EExtended strand (participates in β ladder)trans-79.7138.9172.5-68-174.1165.600110.7K15 S64K15-E17 PolarHBondContact O-N 2.96Å; E17-S64 CarbonylContact C-O 3.59Å; E17-S64 VanDerWaalsContact CA-O 3.29Å; E17-S64 WeakPolarHBondContact CA-O 3.46Å
18V96Very high89.2Confident0 Ų051.1 Ų51.10%028%0.276CS..EExtended strand (participates in β ladder)trans-134.6132178.8-174.80000110K16 V20 L63 S64 T66 Q88 I181K16-V18 HydrophobicContact CD-CG2 4.37Å; K16-V18 HydrophobicContact CG-CG2 4.5Å; V18-V20 HydrophobicContact CG1-CG2 4.18Å; V18-L63 HydrophobicContact CG2-CD1 4.07Å; V18-L63 HydrophobicContact CG2-CD2 4.04Å; V18-L63 HydrophobicContact CG2-CG 4.47Å; V18-S64 PolarHBondContact N-O 3.38Å; V18-T66 PolarHBondContact O-N 2.93Å; V18-Q88 HydrophobicContact CG1-CB 3.86Å; V18-I181 HydrophobicContact CG1-CD1 3.95Å; V18-I181 HydrophobicContact CG1-CG2 4.16Å; V18-I181 HydrophobicContact CG2-CG2 3.89Å
19H97.8Very high90.4Very high60 Ų6050.6 Ų50.628%0.27827%0.274SS..EExtended strand (participates in β ladder)trans-90.6126.1177.3-70.1-160.8000110T66 F68 E86 Q88H19-T66 CarbonylContact C-O 3.56Å; H19-T66 WeakPolarHBondContact CA-O 3.43Å; H19-F68 HydrophobicContact CB-CE2 4.13Å; H19-F68 AromaticContact ND1-CE2 3.9Å; H19-E86 WeakPolarHBondContact CB-O 3.39Å; H19-Q88 WeakPolarHBondContact O-CB 3.4Å; H19-Q88 PolarHBondContact O-N 3.45Å
20V98.4Very high91.5Very high0 Ų048.5 Ų48.50%026%0.261CS..EExtended strand (participates in β ladder)trans-128.3137.1-177.3179.20000109.9V18 F65 T66 V67 F68 A89 I91V18-V20 HydrophobicContact CG1-CG2 4.18Å; V20-F65 HydrophobicContact CG2-CD1 3.63Å; V20-F65 HydrophobicContact CG2-CE1 4.09Å; V20-T66 PolarHBondContact N-O 3.2Å; V20-V67 CarbonylContact O-C 3.5Å; V20-V67 VanDerWaalsContact O-CA 3.3Å; V20-V67 WeakPolarHBondContact O-CA 3.33Å; V20-F68 PolarHBondContact O-N 3.43Å; V20-A89 WeakPolarHBondContact CA-O 3.42Å; V20-A89 HydrophobicContact CG2-CB 4.11Å; V20-I91 HydrophobicContact CG1-CB 4.41Å; V20-I91 HydrophobicContact CG1-CD1 3.91Å; V20-I91 HydrophobicContact CG1-CG1 3.77Å
21L98.8Very high92.8Very high0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-93.7124.9172.1-52.5-178.3000108.8L23 F68 Y84 A89 I90 I91L21-L23 HydrophobicContact CB-CD1 4.2Å; L21-L23 HydrophobicContact CB-CD2 4.24Å; L21-L23 HydrophobicContact CB-CG 3.98Å; L21-F68 HydrophobicContact CD2-CB 3.83Å; L21-F68 HydrophobicContact CD2-CD2 3.98Å; L21-F68 HydrophobicContact CD2-CG 4.07Å; L21-Y84 HydrophobicContact CD1-CD1 3.74Å; L21-Y84 HydrophobicContact CD1-CE1 4.45Å; L21-A89 PolarHBondContact N-O 2.95Å; L21-A89 VanDerWaalsContact N-O 3.07Å; L21-I90 HydrophobicContact CB-CG1 4.49Å; L21-I90 CarbonylContact O-C 3.37Å; L21-I90 WeakPolarHBondContact O-CA 3.31Å; L21-I91 PolarHBondContact O-N 2.88Å
22C98.8Very high93.8Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-99.2108.9170.1-170.50000108.6I34 V67 F68 M70 I91C22-I34 HydrophobicContact CB-CD1 4.25Å; C22-I34 HydrophobicContact CB-CG1 4.28Å; C22-V67 HydrophobicContact CB-CG1 3.59Å; C22-F68 PolarHBondContact N-O 2.75Å; C22-M70 PolarHBondContact O-N 2.79Å; C22-I91 CarbonylContact C-O 3.55Å; C22-I91 WeakPolarHBondContact CA-O 3.3Å
23L98.9Very high95.1Very high0 Ų036.4 Ų36.40%019%0.185CC..EExtended strand (participates in β ladder)trans-123.7166.1-170.6-56.1-178.7000111.4L21 K30 M70 W80 Y84 I90 I91 F92 V93 L112L21-L23 HydrophobicContact CB-CD1 4.2Å; L21-L23 HydrophobicContact CB-CD2 4.24Å; L21-L23 HydrophobicContact CB-CG 3.98Å; L23-K30 WeakPolarHBondContact O-CD 3.4Å; L23-M70 HydrophobicContact CD2-CB 3.73Å; L23-M70 HydrophobicContact CD2-CG 3.42Å; L23-M70 VanDerWaalsContact CD2-CG 3.42Å; L23-W80 HydrophobicContact CD1-CE3 4.46Å; L23-W80 HydrophobicContact CD2-CB 4.25Å; L23-W80 HydrophobicContact CD2-CD2 3.85Å; L23-W80 HydrophobicContact CD2-CE3 4.4Å; L23-W80 HydrophobicContact CD2-CG 3.77Å; L23-Y84 HydrophobicContact CD1-CE1 4.06Å; L23-I90 HydrophobicContact CD1-CG2 4.29Å; L23-I91 PolarHBondContact N-O 3.44Å; L23-F92 HydrophobicContact CB-CD2 4.06Å; L23-F92 HydrophobicContact CB-CE2 4.43Å; L23-F92 CarbonylContact O-C 3.6Å; L23-F92 WeakPolarHBondContact O-CA 3.3Å; L23-V93 PolarHBondContact O-N 3.31Å; L23-L112 HydrophobicContact CD1-CD1 3.77Å; L23-L112 HydrophobicContact CD1-CD2 3.71Å; L23-L112 HydrophobicContact CD1-CG 4.4Å
24G98.8Very high96.2Very high0 Ų029.9 Ų29.90%015%0.15CC..  trans131.7169.8-176.500000112.2K30 G72 W80G24-K30 PolarHBondContact O-NZ 3.42Å; G24-G72 VanDerWaalsContact O-CA 3.3Å; G24-G72 WeakPolarHBondContact O-CA 3.47Å; G24-W80 WeakPolarHBondContact O-CZ2 3.43Å
25L98.8Very high97.1Very high10 Ų1026.8 Ų26.85%0.05214%0.138CC..  trans-63.6161.4-174.1-53.5-173.2000113S28 K30 R101 V104 A105 E108L25-S28 WeakPolarHBondContact O-CB 3.43Å; L25-S28 PolarHBondContact O-N 2.94Å; L25-S28 PolarHBondContact O-OG 3.25Å; L25-K30 PolarHBondContact O-NZ 3.36Å; L25-R101 HydrophobicContact CD1-CB 3.78Å; L25-R101 WeakPolarHBondContact CD1-O 3.5Å; L25-V104 HydrophobicContact CD1-CB 4.02Å; L25-V104 HydrophobicContact CD1-CG1 4.09Å; L25-V104 HydrophobicContact CD2-CG1 3.94Å; L25-A105 HydrophobicContact CD1-CB 3.95Å; L25-A105 HydrophobicContact CG-CB 4.11Å; L25-E108 HydrophobicContact CD2-CB 4.45Å; L25-E108 HydrophobicContact CD2-CG 3.82Å
26D98.4Very high97.8Very high49 Ų4926.3 Ų26.326%0.26214%0.136SC..THydrogen-bonded Turntrans-56.8147.8168.954.6-81.2000110.7S28 G72 Q73 R77 R101D26-S28 PolarHBondContact O-N 3.42Å; D26-S28 VanDerWaalsContact O-N 3.1Å; D26-G72 VanDerWaalsContact N-C 3.32Å; D26-G72 PolarHBondContact N-O 2.96Å; D26-G72 VanDerWaalsContact N-O 3.07Å; D26-G72 VanDerWaalsContact OD1-O 3.1Å; D26-Q73 HydrophobicContact CB-CG 4.02Å; D26-R77 IonicContact OD1-NH2 3.99Å; D26-R77 PolarHBondContact OD1-NH2 3.21Å; D26-R101 VanDerWaalsContact CG-NH1 3.31Å; D26-R101 PolarHBondContact O-NH1 3.41Å; D26-R101 PolarHBondContact O-NH2 3.3Å; D26-R101 VanDerWaalsContact O-NH2 3.11Å; D26-R101 IonicContact OD1-NH1 3.62Å; D26-R101 PolarHBondContact OD1-NH1 3.33Å; D26-R101 IonicContact OD2-CZ 2.61Å; D26-R101 IonicContact OD2-NH1 3.68Å; D26-R101 PolarHBondContact OD2-NH1 3.25Å
27N98.4Very high98.2Very high113 Ų11325.1 Ų25.160%0.60413%0.132SC*.THydrogen-bonded Turntrans62.57.3-176.7-162.536.9000115.5G29 K131N27-G29 PolarHBondContact O-N 3.36Å; N27-K131 PolarHBondContact ND2-NZ 2.86Å; N27-K131 WeakPolarHBondContact O-CE 3.28Å; N27-K131 PolarHBondContact O-NZ 3.34Å
28S98.7Very high98.4Very high2 Ų222.6 Ų22.61%0.01412%0.119CC..SBendtrans-69.4-15.9176.169.90000114.4L25 D26 V93 N130L25-S28 WeakPolarHBondContact O-CB 3.43Å; L25-S28 PolarHBondContact O-N 2.94Å; L25-S28 PolarHBondContact O-OG 3.25Å; D26-S28 PolarHBondContact O-N 3.42Å; D26-S28 VanDerWaalsContact O-N 3.1Å; S28-V93 WeakPolarHBondContact CB-O 3.38Å; S28-V93 VanDerWaalsContact O-CG1 3.3Å; S28-V93 WeakPolarHBondContact O-CG1 3.49Å; S28-V93 PolarHBondContact OG-O 3.46Å; S28-N130 PolarHBondContact O-ND2 3.31Å
29G98.6Very high98.3Very high13 Ų1326.3 Ų26.313%0.13414%0.144CC..SBendtrans100.315.9176.600000115N27 T31 T32 I33N27-G29 PolarHBondContact O-N 3.36Å; G29-T31 PolarHBondContact O-N 2.82Å; G29-T32 WeakPolarHBondContact O-CB 3.49Å; G29-T32 PolarHBondContact O-N 3.16Å; G29-T32 VanDerWaalsContact O-N 3.14Å; G29-I33 WeakPolarHBondContact O-CG1 3.31Å; G29-I33 PolarHBondContact O-N 3.41Å
30K98.8Very high98.1Very high11 Ų1128.4 Ų28.45%0.04817%0.165CC..Hα-helixtrans-46.7-61.4177.3-65.6-174.3-59.5-70.70113.5L23 G24 L25 T32 I33 I34 D69 M70 V93L23-K30 WeakPolarHBondContact O-CD 3.4Å; G24-K30 PolarHBondContact O-NZ 3.42Å; L25-K30 PolarHBondContact O-NZ 3.36Å; K30-T32 PolarHBondContact O-N 2.83Å; K30-I33 PolarHBondContact O-N 2.93Å; K30-I33 VanDerWaalsContact O-N 3.1Å; K30-I34 WeakPolarHBondContact O-CG1 3.42Å; K30-I34 PolarHBondContact O-N 3.29Å; K30-D69 WeakPolarHBondContact CB-OD1 3.42Å; K30-M70 WeakPolarHBondContact CE-O 3.39Å; K30-V93 HydrophobicContact CB-CG2 4.49Å; K30-V93 HydrophobicContact CG-CB 3.74Å; K30-V93 HydrophobicContact CG-CG1 4.49Å; K30-V93 HydrophobicContact CG-CG2 3.78Å
31T98.7Very high98Very high34 Ų3435.6 Ų35.621%0.20920%0.203CC..Hα-helixtrans-59.8-35.4-179.1-43.70000112G29 N35 I47 T50 D69G29-T31 PolarHBondContact O-N 2.82Å; T31-N35 WeakPolarHBondContact O-CB 3.38Å; T31-N35 PolarHBondContact O-N 3.31Å; T31-I47 HydrophobicContact CG2-CG2 3.64Å; T31-T50 PolarHBondContact OG1-OG1 2.89Å; T31-T50 VanDerWaalsContact OG1-OG1 3.04Å; T31-D69 VanDerWaalsContact CA-OD2 3.3Å; T31-D69 WeakPolarHBondContact CA-OD2 2.98Å; T31-D69 VanDerWaalsContact CB-OD2 3.23Å; T31-D69 WeakPolarHBondContact CB-OD2 3.45Å; T31-D69 WeakPolarHBondContact CG2-OD2 3.5Å; T31-D69 PolarHBondContact OG1-OD2 3.03Å
32T98.8Very high97.8Very high39 Ų3938.2 Ų38.224%0.23923%0.225CC..Hα-helixtrans-65.4-45175.4-47.60000112.1G29 K30 N35 K36 I47 A164G29-T32 WeakPolarHBondContact O-CB 3.49Å; G29-T32 PolarHBondContact O-N 3.16Å; G29-T32 VanDerWaalsContact O-N 3.14Å; K30-T32 PolarHBondContact O-N 2.83Å; T32-N35 PolarHBondContact O-N 2.96Å; T32-K36 VanDerWaalsContact O-CB 3.3Å; T32-K36 WeakPolarHBondContact O-CB 3.25Å; T32-K36 PolarHBondContact O-N 3.01Å; T32-I47 HydrophobicContact CG2-CD1 4.09Å; T32-A164 HydrophobicContact CG2-CB 3.66Å
33I98.8Very high97.7Very high0 Ų040.6 Ų40.60%024%0.236CC..Hα-helixtrans-60.2-51.2175.1-70.8-178.8000110.2G29 K30 N35 K36 L37 V93 F128 N130 A164 L170G29-I33 WeakPolarHBondContact O-CG1 3.31Å; G29-I33 PolarHBondContact O-N 3.41Å; K30-I33 PolarHBondContact O-N 2.93Å; K30-I33 VanDerWaalsContact O-N 3.1Å; I33-N35 VanDerWaalsContact C-N 3.3Å; I33-N35 PolarHBondContact O-N 3.33Å; I33-K36 PolarHBondContact O-N 3.48Å; I33-K36 VanDerWaalsContact O-N 3.12Å; I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 WeakPolarHBondContact O-CG 3.17Å; I33-L37 PolarHBondContact O-N 2.67Å; I33-V93 HydrophobicContact CD1-CB 4.43Å; I33-V93 HydrophobicContact CD1-CG1 3.6Å; I33-V93 HydrophobicContact CD1-CG2 3.91Å; I33-F128 HydrophobicContact CD1-CB 3.79Å; I33-F128 HydrophobicContact CD1-CD2 3.73Å; I33-F128 HydrophobicContact CD1-CG 3.85Å; I33-F128 HydrophobicContact CG2-CD2 4.1Å; I33-F128 HydrophobicContact CG2-CE2 3.92Å; I33-N130 HydrophobicContact CD1-CB 4.26Å; I33-A164 HydrophobicContact CB-CB 4.49Å; I33-A164 HydrophobicContact CG1-CB 3.48Å; I33-A164 VanDerWaalsContact CG1-CB 3.48Å; I33-L170 HydrophobicContact CB-CD2 4.44Å; I33-L170 HydrophobicContact CD1-CD2 4.09Å; I33-L170 HydrophobicContact CG1-CD2 3.93Å; I33-L170 HydrophobicContact CG2-CD1 4.29Å; I33-L170 HydrophobicContact CG2-CD2 3.91Å
34I98.4Very high97.5Very high1 Ų143.5 Ų43.51%0.00526%0.256CS..Hα-helixtrans-63-39.8-178.5-58.7-48.3000111.1C22 K30 L37 E56 V67C22-I34 HydrophobicContact CB-CD1 4.25Å; C22-I34 HydrophobicContact CB-CG1 4.28Å; K30-I34 WeakPolarHBondContact O-CG1 3.42Å; K30-I34 PolarHBondContact O-N 3.29Å; I34-L37 HydrophobicContact CD1-CD1 4.49Å; I34-L37 PolarHBondContact O-N 3.48Å; I34-E56 HydrophobicContact CG2-CB 3.5Å; I34-E56 VanDerWaalsContact CG2-CB 3.5Å; I34-E56 HydrophobicContact CG2-CG 3.96Å; I34-V67 HydrophobicContact CD1-CB 4.49Å; I34-V67 HydrophobicContact CD1-CG1 3.8Å; I34-V67 HydrophobicContact CD1-CG2 4.29Å; I34-V67 HydrophobicContact CG1-CG1 4.08Å; I34-V67 HydrophobicContact CG2-CB 4.45Å
35N98.4Very high97.2Very high17 Ų1751.6 Ų51.69%0.09129%0.294CS..Hα-helixtrans-61.6-44.7173.7-171.865.4000111.7T31 T32 I33 L37 K38 Q43 S44 I47T31-N35 WeakPolarHBondContact O-CB 3.38Å; T31-N35 PolarHBondContact O-N 3.31Å; T32-N35 PolarHBondContact O-N 2.96Å; I33-N35 VanDerWaalsContact C-N 3.3Å; I33-N35 PolarHBondContact O-N 3.33Å; N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 3.41Å; N35-K38 WeakPolarHBondContact O-CB 3.29Å; N35-K38 PolarHBondContact O-N 2.94Å; N35-K38 VanDerWaalsContact O-N 3.15Å; N35-Q43 WeakPolarHBondContact O-CG 3.42Å; N35-Q43 WeakPolarHBondContact OD1-CA 3.32Å; N35-S44 PolarHBondContact ND2-O 3.49Å; N35-S44 PolarHBondContact OD1-N 3.47Å; N35-I47 HydrophobicContact CB-CD1 3.84Å
36K98.4Very high96.9Very high68 Ų6857.6 Ų57.630%0.29633%0.326SS..Hα-helixtrans-66.7-29.3-178.4-168.568.6-179.2-162.50113.3T32 I33 K38 Q43 A164 I165 K166 L170T32-K36 VanDerWaalsContact O-CB 3.3Å; T32-K36 WeakPolarHBondContact O-CB 3.25Å; T32-K36 PolarHBondContact O-N 3.01Å; I33-K36 PolarHBondContact O-N 3.48Å; I33-K36 VanDerWaalsContact O-N 3.12Å; K36-K38 VanDerWaalsContact C-N 3.26Å; K36-K38 PolarHBondContact O-N 3.39Å; K36-Q43 PolarHBondContact O-NE2 3.16Å; K36-Q43 VanDerWaalsContact O-NE2 3.07Å; K36-A164 WeakPolarHBondContact CG-O 3.41Å; K36-I165 WeakPolarHBondContact CE-O 3.49Å; K36-I165 PolarHBondContact NZ-O 3.01Å; K36-K166 VanDerWaalsContact CE-C 3.47Å; K36-K166 WeakPolarHBondContact CE-O 3.4Å; K36-K166 PolarHBondContact NZ-O 3.4Å; K36-L170 HydrophobicContact CB-CD1 3.81Å; K36-L170 HydrophobicContact CG-CD1 3.78Å
37L97.8Very high96.7Very high26 Ų2658.1 Ų58.114%0.13633%0.328CS..THydrogen-bonded Turntrans-74.2-13.1175.7-71.5171.6000113.7I33 I34 N35 F58 L170 V174I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 WeakPolarHBondContact O-CG 3.17Å; I33-L37 PolarHBondContact O-N 2.67Å; I34-L37 HydrophobicContact CD1-CD1 4.49Å; I34-L37 PolarHBondContact O-N 3.48Å; N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 3.41Å; L37-F58 HydrophobicContact CB-CB 4.37Å; L37-F58 HydrophobicContact CB-CD1 4.17Å; L37-F58 HydrophobicContact CB-CD2 4.11Å; L37-F58 HydrophobicContact CB-CE1 4.49Å; L37-F58 HydrophobicContact CB-CE2 4.46Å; L37-F58 HydrophobicContact CB-CG 3.97Å; L37-F58 HydrophobicContact CD1-CD1 4.42Å; L37-F58 HydrophobicContact CD1-CE1 3.93Å; L37-F58 HydrophobicContact CD1-CE2 4.27Å; L37-F58 HydrophobicContact CD1-CZ 3.87Å; L37-L170 HydrophobicContact CD2-CB 3.95Å; L37-L170 HydrophobicContact CG-CD1 4.46Å; L37-V174 HydrophobicContact CD1-CG2 3.79Å; L37-V174 HydrophobicContact CD2-CG2 3.74Å; L37-V174 HydrophobicContact CG-CG2 4.44Å
38K97.4Very high96.6Very high31 Ų3159.3 Ų59.314%0.13533%0.334CS..SBendtrans-75.5155.6174.6-63.8171.5-176.1175.60110.9N35 K36 A42 Q43 E56 F58N35-K38 WeakPolarHBondContact O-CB 3.29Å; N35-K38 PolarHBondContact O-N 2.94Å; N35-K38 VanDerWaalsContact O-N 3.15Å; K36-K38 VanDerWaalsContact C-N 3.26Å; K36-K38 PolarHBondContact O-N 3.39Å; K38-A42 HydrophobicContact CB-CB 4.33Å; K38-Q43 HydrophobicContact CB-CG 4.33Å; K38-Q43 PolarHBondContact O-NE2 2.92Å; K38-E56 WeakPolarHBondContact CE-OE2 3.49Å; K38-E56 VanDerWaalsContact NZ-CD 3.28Å; K38-E56 IonicContact NZ-OE1 3.14Å; K38-E56 IonicContact NZ-OE2 3.87Å; K38-E56 PolarHBondContact NZ-OE2 3.4Å; K38-F58 HydrophobicContact CG-CB 4.46Å
39P94.6Very high96.4Very high79 Ų7964 Ų6451%0.51337%0.365SS..  trans-52.2143.6166.9-24.634.7000111.5N41 A42 Q43P39-N41 WeakPolarHBondContact CB-OD1 3.43Å; P39-N41 PolarHBondContact O-N 3.5Å; P39-A42 WeakPolarHBondContact O-CA 3.48Å; P39-A42 PolarHBondContact O-N 2.97Å; P39-Q43 WeakPolarHBondContact O-CG 3.36Å; P39-Q43 PolarHBondContact O-N 3.49Å
40S94.2Very high96.2Very high103 Ų10364.4 Ų64.472%0.7237%0.365SS*.G310 helixtrans-53.8-33.6-172.2-50.10000114.4A42 Q43S40-A42 VanDerWaalsContact C-N 3.26Å; S40-A42 PolarHBondContact O-N 3.28Å; S40-Q43 PolarHBondContact O-N 3.5Å
41N94.8Very high96Very high152 Ų15269.6 Ų69.681%0.81339%0.392SS*.G310 helixtrans-75.1-9.9178.268.3-29.6000114.4P39P39-N41 WeakPolarHBondContact CB-OD1 3.43Å; P39-N41 PolarHBondContact O-N 3.5Å
42A95.3Very high95.8Very high54 Ų5468.6 Ų68.645%0.44639%0.388SS..G310 helixtrans-110.2317800000112.8K38 P39 S40K38-A42 HydrophobicContact CB-CB 4.33Å; P39-A42 WeakPolarHBondContact O-CA 3.48Å; P39-A42 PolarHBondContact O-N 2.97Å; S40-A42 VanDerWaalsContact C-N 3.26Å; S40-A42 PolarHBondContact O-N 3.28Å
43Q96.6Very high95.8Very high50 Ų5070.5 Ų70.523%0.23439%0.393CS..  trans-79.1133.7177.1-58-169.5-3.300110.5N35 K36 K38 P39 S40N35-Q43 WeakPolarHBondContact O-CG 3.42Å; N35-Q43 WeakPolarHBondContact OD1-CA 3.32Å; K36-Q43 PolarHBondContact O-NE2 3.16Å; K36-Q43 VanDerWaalsContact O-NE2 3.07Å; K38-Q43 HydrophobicContact CB-CG 4.33Å; K38-Q43 PolarHBondContact O-NE2 2.92Å; P39-Q43 WeakPolarHBondContact O-CG 3.36Å; P39-Q43 PolarHBondContact O-N 3.49Å; S40-Q43 PolarHBondContact O-N 3.5Å
44S94.4Very high95.7Very high62 Ų6272 Ų7243%0.43440%0.403SS..  trans-78.8140.9168.6-174.30000110.6N35 N46N35-S44 PolarHBondContact ND2-O 3.49Å; N35-S44 PolarHBondContact OD1-N 3.47Å; S44-N46 PolarHBondContact OG-N 3.01Å; S44-N46 PolarHBondContact OG-O 3.27Å
45Q92.1Very high95.6Very high169 Ų16976.2 Ų76.279%0.7943%0.425SS*.SBendtrans-80.1-28.8172.6-62.6-61.3-35.300112.2
46N93.1Very high95.6Very high136 Ų13678 Ų7873%0.72743%0.432SS*.  trans-115.2118.7-177.7-66.6-38.2000109.4S44S44-N46 PolarHBondContact OG-N 3.01Å; S44-N46 PolarHBondContact OG-O 3.27Å
47I94.9Very high95.5Very high60 Ų6081 Ų8131%0.30845%0.446SS..  trans-113.3119.5178-57.8-176.3000108T31 T32 N35T31-I47 HydrophobicContact CG2-CG2 3.64Å; T32-I47 HydrophobicContact CG2-CD1 4.09Å; N35-I47 HydrophobicContact CB-CD1 3.84Å
48L95.3Very high95.5Very high138 Ų13880.1 Ų80.172%0.72344%0.441SS*.  trans-104.4158178.4-61.5177.9000110.1T50L48-T50 PolarHBondContact O-N 3.14Å
49P95.6Very high95.4Very high101 Ų10186 Ų8666%0.65647%0.466SS*.PPolyproline II helixtrans-56.3124.6172.6-2534.7000112
50T94.1Very high95.3Very high22 Ų2282.7 Ų82.714%0.13545%0.445CS..PPolyproline II helixtrans-64.3134.1179.5-47.20000111.7T31 L48 S71 Q73T31-T50 PolarHBondContact OG1-OG1 2.89Å; T31-T50 VanDerWaalsContact OG1-OG1 3.04Å; L48-T50 PolarHBondContact O-N 3.14Å; T50-S71 VanDerWaalsContact O-CB 3.27Å; T50-S71 WeakPolarHBondContact O-CB 3.4Å; T50-S71 PolarHBondContact O-OG 3.22Å; T50-Q73 PolarHBondContact O-NE2 3.12Å
51I94.6Very high95Very high120 Ų12081.4 Ų81.462%0.61544%0.436SS*.SBendtrans-103.7121.7171.8-61.5177.9000107.7F53 Y76I51-F53 PolarHBondContact O-N 2.84Å; I51-Y76 HydrophobicContact CG2-CE2 4.16Å
52G95.3Very high94.7Very high12 Ų1276.6 Ų76.612%0.12442%0.415CS..SBendtrans69.5-98.3-175.500000111.9S71G52-S71 WeakPolarHBondContact O-CB 3.31Å; G52-S71 PolarHBondContact O-N 3.01Å
53F97Very high94.7Very high80 Ų8074.1 Ų74.135%0.35139%0.394SS..EExtended strand (participates in β ladder)trans-156.2164177.372-75.9000111.1I51 I55 F68 D69 M70 Y83I51-F53 PolarHBondContact O-N 2.84Å; F53-I55 HydrophobicContact CD2-CG1 4.15Å; F53-I55 HydrophobicContact CE2-CD1 4.08Å; F53-I55 HydrophobicContact CE2-CG1 3.82Å; F53-F68 HydrophobicContact CD2-CD1 4.46Å; F53-D69 CarbonylContact C-O 3.6Å; F53-D69 VanDerWaalsContact CA-O 3.23Å; F53-D69 WeakPolarHBondContact CA-O 3.39Å; F53-M70 HydrophobicContact CB-CE 3.81Å; F53-M70 HydrophobicContact CB-SD 3.46Å; F53-M70 WeakPolarHBondContact CB-SD 3.35Å; F53-M70 HydrophobicContact CG-CE 4.45Å; F53-M70 HydrophobicContact CG-SD 4.23Å; F53-Y83 HydrophobicContact CD1-CE2 4.26Å; F53-Y83 HydrophobicContact CE1-CE2 4.45Å; F53-Y83 AromaticContact CE1-CZ 3.95Å; F53-Y83 WeakPolarHBondContact CE1-OH 3.4Å; F53-Y83 HydrophobicContact CE2-CE1 4.37Å; F53-Y83 HydrophobicContact CG-CE2 4.42Å; F53-Y83 AromaticContact CZ-CZ 3.9Å; F53-Y83 WeakPolarHBondContact CZ-OH 3.26Å
54S97.2Very high94.7Very high31 Ų3172.7 Ų72.722%0.21739%0.389CS..EExtended strand (participates in β ladder)trans-127.1157.1163.464.50000110.8D69S54-D69 PolarHBondContact N-O 3.36Å; S54-D69 PolarHBondContact O-N 3.14Å
55I97.4Very high94.8Very high90 Ų9069.8 Ų69.846%0.46237%0.369SS..EExtended strand (participates in β ladder)trans-107.6118.2172.4-60.1177000107.9F53 T66 V67 F68F53-I55 HydrophobicContact CD2-CG1 4.15Å; F53-I55 HydrophobicContact CE2-CD1 4.08Å; F53-I55 HydrophobicContact CE2-CG1 3.82Å; I55-T66 HydrophobicContact CG2-CG2 3.67Å; I55-V67 WeakPolarHBondContact CA-O 3.47Å; I55-F68 HydrophobicContact CD1-CD1 4.32Å; I55-F68 HydrophobicContact CD1-CE1 3.91Å; I55-F68 HydrophobicContact CG1-CD1 4.02Å; I55-F68 HydrophobicContact CG1-CE1 4.1Å
56E97.4Very high95.1Very high53 Ų5362.3 Ų62.325%0.24834%0.335CS..EExtended strand (participates in β ladder)trans-120.2155-176.9-64.2-61.6173.300111.1I34 K38 T66 V67I34-E56 HydrophobicContact CG2-CB 3.5Å; I34-E56 VanDerWaalsContact CG2-CB 3.5Å; I34-E56 HydrophobicContact CG2-CG 3.96Å; K38-E56 WeakPolarHBondContact CE-OE2 3.49Å; K38-E56 VanDerWaalsContact NZ-CD 3.28Å; K38-E56 IonicContact NZ-OE1 3.14Å; K38-E56 IonicContact NZ-OE2 3.87Å; K38-E56 PolarHBondContact NZ-OE2 3.4Å; E56-T66 CarbonylContact O-C 3.55Å; E56-V67 PolarHBondContact N-O 3.26Å; E56-V67 PolarHBondContact O-N 2.66Å
57K97.3Very high95.4Very high133 Ų13355.9 Ų55.958%0.57830%0.3SS*.EExtended strand (participates in β ladder)trans-130.8135.2179.2-63.7-174.5179.3-174.10111.7F65K57-F65 VanDerWaalsContact CA-O 3.27Å; K57-F65 WeakPolarHBondContact CA-O 3Å
58F96.9Very high95.5Very high7 Ų753.5 Ų53.53%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-141.3166.1167.774.3-93.8000110.1L37 K38 F65 V67 V174L37-F58 HydrophobicContact CB-CB 4.37Å; L37-F58 HydrophobicContact CB-CD1 4.17Å; L37-F58 HydrophobicContact CB-CD2 4.11Å; L37-F58 HydrophobicContact CB-CE1 4.49Å; L37-F58 HydrophobicContact CB-CE2 4.46Å; L37-F58 HydrophobicContact CB-CG 3.97Å; L37-F58 HydrophobicContact CD1-CD1 4.42Å; L37-F58 HydrophobicContact CD1-CE1 3.93Å; L37-F58 HydrophobicContact CD1-CE2 4.27Å; L37-F58 HydrophobicContact CD1-CZ 3.87Å; K38-F58 HydrophobicContact CG-CB 4.46Å; F58-F65 HydrophobicContact CD1-CB 3.91Å; F58-F65 HydrophobicContact CD2-CB 4.29Å; F58-F65 AromaticContact CD2-CD2 3.95Å; F58-F65 HydrophobicContact CD2-CD2 3.95Å; F58-F65 HydrophobicContact CD2-CG 4.39Å; F58-F65 HydrophobicContact CE1-CB 3.61Å; F58-F65 HydrophobicContact CE1-CD2 4.43Å; F58-F65 AromaticContact CE1-CG 3.99Å; F58-F65 HydrophobicContact CE1-CG 3.99Å; F58-F65 HydrophobicContact CE2-CB 3.99Å; F58-F65 AromaticContact CE2-CD2 3.31Å; F58-F65 HydrophobicContact CE2-CD2 3.31Å; F58-F65 AromaticContact CE2-CE2 3.88Å; F58-F65 HydrophobicContact CE2-CE2 3.88Å; F58-F65 AromaticContact CE2-CG 3.7Å; F58-F65 HydrophobicContact CE2-CG 3.7Å; F58-F65 HydrophobicContact CG-CB 4.24Å; F58-F65 HydrophobicContact CZ-CB 3.63Å; F58-F65 HydrophobicContact CZ-CD1 4.01Å; F58-F65 AromaticContact CZ-CD2 3.6Å; F58-F65 HydrophobicContact CZ-CD2 3.6Å; F58-F65 HydrophobicContact CZ-CE2 4.23Å; F58-F65 AromaticContact CZ-CG 3.46Å; F58-F65 HydrophobicContact CZ-CG 3.46Å; F58-F65 VanDerWaalsContact CZ-CG 3.46Å; F58-F65 PolarHBondContact N-O 2.98Å; F58-F65 PolarHBondContact O-N 3.36Å; F58-V67 HydrophobicContact CD1-CG2 3.85Å; F58-V67 HydrophobicContact CE1-CG2 3.51Å; F58-V174 HydrophobicContact CE2-CG1 3.9Å; F58-V174 HydrophobicContact CE2-CG2 4.23Å; F58-V174 HydrophobicContact CZ-CG1 4.44Å; F58-V174 HydrophobicContact CZ-CG2 4.21Å
59K95Very high95.7Very high153 Ų15346.9 Ų46.967%0.66525%0.253SS*.EExtended strand (participates in β ladder)trans-123.2134.7-178.6-64.4-180179.8176.40109.3L63K59-L63 WeakPolarHBondContact CA-O 3.41Å
60S92.9Very high95.8Very high11 Ų1142.1 Ų42.18%0.07722%0.222CC..  trans-94.8-170164.274.90000110.5K15 S62 L63 Q178K15-S60 PolarHBondContact NZ-O 3.38Å; S60-S62 VanDerWaalsContact C-N 3.26Å; S60-S62 PolarHBondContact O-N 2.69Å; S60-S62 PolarHBondContact OG-N 3.34Å; S60-L63 PolarHBondContact N-O 3.16Å; S60-L63 PolarHBondContact OG-N 3.23Å; S60-L63 VanDerWaalsContact OG-N 3.16Å; S60-Q178 PolarHBondContact OG-OE1 3.02Å
61S88.6Confident96Very high76 Ų7641.2 Ų41.253%0.53122%0.217SC..SBendtrans-55.8-40.5174.365.40000112.1K15 Q178K15-S61 WeakPolarHBondContact CE-O 3.39Å; K15-S61 PolarHBondContact NZ-O 3.03Å; S61-Q178 PolarHBondContact OG-NE2 2.83Å; S61-Q178 PolarHBondContact OG-OE1 2.61Å
62S88.6Confident96.2Very high51 Ų5135.7 Ų35.736%0.35719%0.189SC..SBendtrans-120.8-17.8-168.9-56.40000115.3S60S60-S62 VanDerWaalsContact C-N 3.26Å; S60-S62 PolarHBondContact O-N 2.69Å; S60-S62 PolarHBondContact OG-N 3.34Å
63L94.6Very high96.3Very high2 Ų237.1 Ų37.11%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-125.3155-174.3-60.7177.2000112.2K16 V18 K59 S60 F65 Q178 I181K16-L63 HydrophobicContact CB-CD2 3.85Å; K16-L63 HydrophobicContact CD-CD2 4.12Å; K16-L63 HydrophobicContact CG-CD2 4.4Å; V18-L63 HydrophobicContact CG2-CD1 4.07Å; V18-L63 HydrophobicContact CG2-CD2 4.04Å; V18-L63 HydrophobicContact CG2-CG 4.47Å; K59-L63 WeakPolarHBondContact CA-O 3.41Å; S60-L63 PolarHBondContact N-O 3.16Å; S60-L63 PolarHBondContact OG-N 3.23Å; S60-L63 VanDerWaalsContact OG-N 3.16Å; L63-F65 HydrophobicContact CB-CD2 4.25Å; L63-F65 HydrophobicContact CB-CE2 3.73Å; L63-F65 HydrophobicContact CB-CZ 4.1Å; L63-F65 HydrophobicContact CD1-CE1 4.48Å; L63-F65 HydrophobicContact CD1-CE2 4.37Å; L63-F65 HydrophobicContact CD1-CZ 3.9Å; L63-Q178 HydrophobicContact CD1-CB 3.62Å; L63-Q178 HydrophobicContact CG-CB 4.24Å; L63-I181 HydrophobicContact CD1-CB 4.16Å; L63-I181 HydrophobicContact CD1-CD1 4.19Å; L63-I181 HydrophobicContact CD1-CG2 4.1Å
64S96.1Very high96.2Very high19 Ų1935.6 Ų35.613%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-106.7119.7164-66.90000107.9K16 E17 V18K16-S64 PolarHBondContact O-N 3.44Å; E17-S64 CarbonylContact C-O 3.59Å; E17-S64 VanDerWaalsContact CA-O 3.29Å; E17-S64 WeakPolarHBondContact CA-O 3.46Å; V18-S64 PolarHBondContact N-O 3.38Å
65F97.8Very high96.1Very high2 Ų242.1 Ų42.11%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-94.4127-179.7-68.5-93.1000109.9V20 K57 F58 L63 V67 V174 L177 Q178 I181V20-F65 HydrophobicContact CG2-CD1 3.63Å; V20-F65 HydrophobicContact CG2-CE1 4.09Å; K57-F65 VanDerWaalsContact CA-O 3.27Å; K57-F65 WeakPolarHBondContact CA-O 3Å; F58-F65 HydrophobicContact CD1-CB 3.91Å; F58-F65 HydrophobicContact CD2-CB 4.29Å; F58-F65 AromaticContact CD2-CD2 3.95Å; F58-F65 HydrophobicContact CD2-CD2 3.95Å; F58-F65 HydrophobicContact CD2-CG 4.39Å; F58-F65 HydrophobicContact CE1-CB 3.61Å; F58-F65 HydrophobicContact CE1-CD2 4.43Å; F58-F65 AromaticContact CE1-CG 3.99Å; F58-F65 HydrophobicContact CE1-CG 3.99Å; F58-F65 HydrophobicContact CE2-CB 3.99Å; F58-F65 AromaticContact CE2-CD2 3.31Å; F58-F65 HydrophobicContact CE2-CD2 3.31Å; F58-F65 AromaticContact CE2-CE2 3.88Å; F58-F65 HydrophobicContact CE2-CE2 3.88Å; F58-F65 AromaticContact CE2-CG 3.7Å; F58-F65 HydrophobicContact CE2-CG 3.7Å; F58-F65 HydrophobicContact CG-CB 4.24Å; F58-F65 HydrophobicContact CZ-CB 3.63Å; F58-F65 HydrophobicContact CZ-CD1 4.01Å; F58-F65 AromaticContact CZ-CD2 3.6Å; F58-F65 HydrophobicContact CZ-CD2 3.6Å; F58-F65 HydrophobicContact CZ-CE2 4.23Å; F58-F65 AromaticContact CZ-CG 3.46Å; F58-F65 HydrophobicContact CZ-CG 3.46Å; F58-F65 VanDerWaalsContact CZ-CG 3.46Å; F58-F65 PolarHBondContact N-O 2.98Å; F58-F65 PolarHBondContact O-N 3.36Å; L63-F65 HydrophobicContact CB-CD2 4.25Å; L63-F65 HydrophobicContact CB-CE2 3.73Å; L63-F65 HydrophobicContact CB-CZ 4.1Å; L63-F65 HydrophobicContact CD1-CE1 4.48Å; L63-F65 HydrophobicContact CD1-CE2 4.37Å; L63-F65 HydrophobicContact CD1-CZ 3.9Å; F65-V67 HydrophobicContact CB-CG2 4.21Å; F65-V174 HydrophobicContact CE2-CG1 4.2Å; F65-V174 HydrophobicContact CZ-CG1 4.4Å; F65-L177 HydrophobicContact CE1-CD2 4.19Å; F65-Q178 HydrophobicContact CZ-CB 4.31Å; F65-I181 HydrophobicContact CE1-CD1 3.93Å; F65-I181 HydrophobicContact CZ-CD1 4.46Å
66T98.1Very high96.1Very high12 Ų1240.1 Ų40.17%0.07421%0.206CC..EExtended strand (participates in β ladder)trans-102.8111.3162.3-62.70000106.8V18 H19 V20 I55 E56 F68V18-T66 PolarHBondContact O-N 2.93Å; H19-T66 CarbonylContact C-O 3.56Å; H19-T66 WeakPolarHBondContact CA-O 3.43Å; V20-T66 PolarHBondContact N-O 3.2Å; I55-T66 HydrophobicContact CG2-CG2 3.67Å; E56-T66 CarbonylContact O-C 3.55Å; T66-F68 HydrophobicContact CG2-CE2 4.37Å
67V98.5Very high96.1Very high0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-105.5126.7-174.5-171.80000109.8V20 C22 I34 I55 E56 F58 F65 D69V20-V67 CarbonylContact O-C 3.5Å; V20-V67 VanDerWaalsContact O-CA 3.3Å; V20-V67 WeakPolarHBondContact O-CA 3.33Å; C22-V67 HydrophobicContact CB-CG1 3.59Å; I34-V67 HydrophobicContact CD1-CB 4.49Å; I34-V67 HydrophobicContact CD1-CG1 3.8Å; I34-V67 HydrophobicContact CD1-CG2 4.29Å; I34-V67 HydrophobicContact CG1-CG1 4.08Å; I34-V67 HydrophobicContact CG2-CB 4.45Å; I55-V67 WeakPolarHBondContact CA-O 3.47Å; E56-V67 PolarHBondContact N-O 3.26Å; E56-V67 PolarHBondContact O-N 2.66Å; F58-V67 HydrophobicContact CD1-CG2 3.85Å; F58-V67 HydrophobicContact CE1-CG2 3.51Å; F65-V67 HydrophobicContact CB-CG2 4.21Å; V67-D69 PolarHBondContact O-N 3.12Å
68F98.4Very high96Very high10 Ų1037.4 Ų37.44%0.04420%0.197CC..EExtended strand (participates in β ladder)trans-88.397.3165.8-61.4-100.7000107.3H19 V20 L21 C22 F53 I55 T66 M70 Y83 E86H19-F68 HydrophobicContact CB-CE2 4.13Å; H19-F68 AromaticContact ND1-CE2 3.9Å; V20-F68 PolarHBondContact O-N 3.43Å; L21-F68 HydrophobicContact CD2-CB 3.83Å; L21-F68 HydrophobicContact CD2-CD2 3.98Å; L21-F68 HydrophobicContact CD2-CG 4.07Å; C22-F68 PolarHBondContact N-O 2.75Å; F53-F68 HydrophobicContact CD2-CD1 4.46Å; I55-F68 HydrophobicContact CD1-CD1 4.32Å; I55-F68 HydrophobicContact CD1-CE1 3.91Å; I55-F68 HydrophobicContact CG1-CD1 4.02Å; I55-F68 HydrophobicContact CG1-CE1 4.1Å; T66-F68 HydrophobicContact CG2-CE2 4.37Å; F68-M70 HydrophobicContact CB-SD 4.02Å; F68-M70 PolarHBondContact O-N 2.97Å; F68-Y83 AromaticContact CD1-CD1 3.49Å; F68-Y83 HydrophobicContact CD1-CD1 3.49Å; F68-Y83 VanDerWaalsContact CD1-CD1 3.49Å; F68-Y83 AromaticContact CD1-CE1 3.77Å; F68-Y83 HydrophobicContact CD1-CE1 3.77Å; F68-Y83 HydrophobicContact CD1-CG 4.18Å; F68-Y83 AromaticContact CE1-CD1 3.57Å; F68-Y83 HydrophobicContact CE1-CD1 3.57Å; F68-Y83 AromaticContact CE1-CE1 3.75Å; F68-Y83 HydrophobicContact CE1-CE1 3.75Å; F68-Y83 HydrophobicContact CG-CD1 4.3Å; F68-Y83 HydrophobicContact CZ-CD1 4.43Å; F68-E86 WeakPolarHBondContact CZ-OE2 3.35Å
69D98.4Very high96.1Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-81.1100.8175.9178.928.7000109.1K30 T31 F53 S54 V67K30-D69 WeakPolarHBondContact CB-OD1 3.42Å; T31-D69 VanDerWaalsContact CA-OD2 3.3Å; T31-D69 WeakPolarHBondContact CA-OD2 2.98Å; T31-D69 VanDerWaalsContact CB-OD2 3.23Å; T31-D69 WeakPolarHBondContact CB-OD2 3.45Å; T31-D69 WeakPolarHBondContact CG2-OD2 3.5Å; T31-D69 PolarHBondContact OG1-OD2 3.03Å; F53-D69 CarbonylContact C-O 3.6Å; F53-D69 VanDerWaalsContact CA-O 3.23Å; F53-D69 WeakPolarHBondContact CA-O 3.39Å; S54-D69 PolarHBondContact N-O 3.36Å; S54-D69 PolarHBondContact O-N 3.14Å; V67-D69 PolarHBondContact O-N 3.12Å
70M98.4Very high96.2Very high1 Ų131.9 Ų31.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-88143.6-172.3-56.1-56.4-66.500111.1C22 L23 K30 F53 F68 G72 L79 W80 Y83C22-M70 PolarHBondContact O-N 2.79Å; L23-M70 HydrophobicContact CD2-CB 3.73Å; L23-M70 HydrophobicContact CD2-CG 3.42Å; L23-M70 VanDerWaalsContact CD2-CG 3.42Å; K30-M70 WeakPolarHBondContact CE-O 3.39Å; F53-M70 HydrophobicContact CB-CE 3.81Å; F53-M70 HydrophobicContact CB-SD 3.46Å; F53-M70 WeakPolarHBondContact CB-SD 3.35Å; F53-M70 HydrophobicContact CG-CE 4.45Å; F53-M70 HydrophobicContact CG-SD 4.23Å; F68-M70 HydrophobicContact CB-SD 4.02Å; F68-M70 PolarHBondContact O-N 2.97Å; M70-G72 PolarHBondContact O-N 2.79Å; M70-L79 HydrophobicContact CE-CB 4.02Å; M70-L79 WeakPolarHBondContact CE-O 3.46Å; M70-W80 VanDerWaalsContact CB-CD1 3.49Å; M70-W80 HydrophobicContact CB-CG 4.47Å; M70-Y83 HydrophobicContact CE-CD2 3.43Å; M70-Y83 VanDerWaalsContact CE-CD2 3.43Å; M70-Y83 HydrophobicContact CE-CE2 3.64Å; M70-Y83 HydrophobicContact CE-CG 4.49Å; M70-Y83 HydrophobicContact SD-CD2 3.87Å; M70-Y83 HydrophobicContact SD-CE2 4.25Å; M70-Y83 HydrophobicContact SD-CG 4.46Å
71S98.2Very high96.4Very high3 Ų335.7 Ų35.72%0.02119%0.191CC..  trans-62.7134.9170.9-1700000110.5T50 G52 Q73 Y76 W80T50-S71 VanDerWaalsContact O-CB 3.27Å; T50-S71 WeakPolarHBondContact O-CB 3.4Å; T50-S71 PolarHBondContact O-OG 3.22Å; G52-S71 WeakPolarHBondContact O-CB 3.31Å; G52-S71 PolarHBondContact O-N 3.01Å; S71-Q73 PolarHBondContact OG-N 2.86Å; S71-Y76 WeakPolarHBondContact OG-CD2 3.29Å; S71-W80 PolarHBondContact O-NE1 3.12Å
72G97.7Very high96.8Very high3 Ų337.4 Ų37.43%0.03119%0.191CC..  trans-93.7-0.7175.200000114.1G24 D26 M70 R77G24-G72 VanDerWaalsContact O-CA 3.3Å; G24-G72 WeakPolarHBondContact O-CA 3.47Å; D26-G72 VanDerWaalsContact N-C 3.32Å; D26-G72 PolarHBondContact N-O 2.96Å; D26-G72 VanDerWaalsContact N-O 3.07Å; D26-G72 VanDerWaalsContact OD1-O 3.1Å; M70-G72 PolarHBondContact O-N 2.79Å; G72-R77 PolarHBondContact O-NE 2.7Å; G72-R77 PolarHBondContact O-NH2 2.79Å; G72-R77 VanDerWaalsContact O-NH2 3.14Å
73Q97.1Very high97.2Very high42 Ų4236.9 Ų36.920%0.19618%0.181CC..SBendtrans-67.6135.7179.9-61.4175.129.100108.8D26 T50 S71 R75 Y76 R77D26-Q73 HydrophobicContact CB-CG 4.02Å; T50-Q73 PolarHBondContact O-NE2 3.12Å; S71-Q73 PolarHBondContact OG-N 2.86Å; Q73-R75 HydrophobicContact CB-CG 4.47Å; Q73-R75 PolarHBondContact O-N 3.09Å; Q73-R75 VanDerWaalsContact OE1-NH2 3.15Å; Q73-Y76 HydrophobicContact CB-CD2 3.99Å; Q73-Y76 PolarHBondContact O-N 3.04Å; Q73-R77 PolarHBondContact O-N 2.96Å
74G95.9Very high97.4Very high49 Ų4937.3 Ų37.351%0.50518%0.183SC..G310 helixtrans-47.9-44-174.100000114.2Y76 R77G74-Y76 PolarHBondContact O-N 3.12Å; G74-Y76 VanDerWaalsContact O-N 3.08Å; G74-R77 PolarHBondContact O-N 3.41Å
75R95.6Very high97.4Very high167 Ų16743.6 Ų43.663%0.6321%0.208SC*.G310 helixtrans-63.8-12.1178.967.9176.4172.7167.90.9116Q73 N78Q73-R75 HydrophobicContact CB-CG 4.47Å; Q73-R75 PolarHBondContact O-N 3.09Å; Q73-R75 VanDerWaalsContact OE1-NH2 3.15Å; R75-N78 PolarHBondContact O-OD1 3.01Å
76Y96.4Very high97.2Very high48 Ų4848 Ų4819%0.18823%0.228CC..G310 helixtrans-117.4-4.3-177.8-63.2-51.2000113.4I51 S71 Q73 G74 N78 L79I51-Y76 HydrophobicContact CG2-CE2 4.16Å; S71-Y76 WeakPolarHBondContact OG-CD2 3.29Å; Q73-Y76 HydrophobicContact CB-CD2 3.99Å; Q73-Y76 PolarHBondContact O-N 3.04Å; G74-Y76 PolarHBondContact O-N 3.12Å; G74-Y76 VanDerWaalsContact O-N 3.08Å; Y76-N78 PolarHBondContact O-N 2.93Å; Y76-L79 HydrophobicContact CD1-CD1 4.24Å; Y76-L79 VanDerWaalsContact O-CB 3.29Å; Y76-L79 WeakPolarHBondContact O-CB 3.34Å; Y76-L79 WeakPolarHBondContact O-CG 3.36Å; Y76-L79 PolarHBondContact O-N 3.3Å
77R97.3Very high97.1Very high37 Ų3747.4 Ų47.414%0.1423%0.225CC..G310 helixtrans-65.8-26.1-176.4-65.1-175.4-165150.46.5113.1D26 G72 Q73 G74 L79 W80 E108D26-R77 IonicContact OD1-NH2 3.99Å; D26-R77 PolarHBondContact OD1-NH2 3.21Å; G72-R77 PolarHBondContact O-NE 2.7Å; G72-R77 PolarHBondContact O-NH2 2.79Å; G72-R77 VanDerWaalsContact O-NH2 3.14Å; Q73-R77 PolarHBondContact O-N 2.96Å; G74-R77 PolarHBondContact O-N 3.41Å; R77-L79 PolarHBondContact O-N 2.68Å; R77-L79 VanDerWaalsContact O-N 3.12Å; R77-W80 HydrophobicContact CB-CD2 4.38Å; R77-W80 HydrophobicContact CB-CZ2 4.4Å; R77-W80 HydrophobicContact CG-CH2 4.23Å; R77-W80 HydrophobicContact CG-CZ2 3.84Å; R77-W80 VanDerWaalsContact O-CB 3.27Å; R77-W80 WeakPolarHBondContact O-CB 3.24Å; R77-W80 PolarHBondContact O-N 3.07Å; R77-E108 VanDerWaalsContact CD-CD 3.45Å; R77-E108 WeakPolarHBondContact CD-OE1 3.27Å; R77-E108 IonicContact CZ-OE1 2.8Å; R77-E108 IonicContact NE-OE1 2.66Å; R77-E108 IonicContact NH1-OE1 2.65Å; R77-E108 PolarHBondContact NH1-OE1 3.27Å
78N96.4Very high97.1Very high92 Ų9251.1 Ų51.149%0.49224%0.242SC..G310 helixtrans-59.1-21.3171.667.6-52.5000113R75 Y76 W80 E81R75-N78 PolarHBondContact O-OD1 3.01Å; Y76-N78 PolarHBondContact O-N 2.93Å; N78-W80 PolarHBondContact O-N 2.85Å; N78-E81 WeakPolarHBondContact O-CG 3.44Å
79L97.2Very high97.1Very high42 Ų4250.6 Ų50.622%0.2224%0.24CC..G310 helixtrans-72.5-16.9175.8-61.1174.4000113.1M70 Y76 R77 E81 H82 Y83M70-L79 HydrophobicContact CE-CB 4.02Å; M70-L79 WeakPolarHBondContact CE-O 3.46Å; Y76-L79 HydrophobicContact CD1-CD1 4.24Å; Y76-L79 VanDerWaalsContact O-CB 3.29Å; Y76-L79 WeakPolarHBondContact O-CB 3.34Å; Y76-L79 WeakPolarHBondContact O-CG 3.36Å; Y76-L79 PolarHBondContact O-N 3.3Å; R77-L79 PolarHBondContact O-N 2.68Å; R77-L79 VanDerWaalsContact O-N 3.12Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 2.79Å; L79-H82 PolarHBondContact O-N 3.07Å; L79-Y83 WeakPolarHBondContact O-CD2 3.37Å
80W98.1Very high97.1Very high2 Ų250.6 Ų50.61%0.00824%0.24CC..SBendtrans-59.9-42-179.6-64.11.3000111.6L23 G24 M70 S71 R77 N78 H82 Y83 Y84 E108L23-W80 HydrophobicContact CD1-CE3 4.46Å; L23-W80 HydrophobicContact CD2-CB 4.25Å; L23-W80 HydrophobicContact CD2-CD2 3.85Å; L23-W80 HydrophobicContact CD2-CE3 4.4Å; L23-W80 HydrophobicContact CD2-CG 3.77Å; G24-W80 WeakPolarHBondContact O-CZ2 3.43Å; M70-W80 VanDerWaalsContact CB-CD1 3.49Å; M70-W80 HydrophobicContact CB-CG 4.47Å; S71-W80 PolarHBondContact O-NE1 3.12Å; R77-W80 HydrophobicContact CB-CD2 4.38Å; R77-W80 HydrophobicContact CB-CZ2 4.4Å; R77-W80 HydrophobicContact CG-CH2 4.23Å; R77-W80 HydrophobicContact CG-CZ2 3.84Å; R77-W80 VanDerWaalsContact O-CB 3.27Å; R77-W80 WeakPolarHBondContact O-CB 3.24Å; R77-W80 PolarHBondContact O-N 3.07Å; N78-W80 PolarHBondContact O-N 2.85Å; W80-H82 PolarHBondContact O-N 2.82Å; W80-Y83 PolarHBondContact O-N 2.86Å; W80-Y83 VanDerWaalsContact O-N 3.07Å; W80-Y84 HydrophobicContact CB-CE1 3.73Å; W80-Y84 WeakPolarHBondContact CB-OH 3.46Å; W80-Y84 WeakPolarHBondContact O-CD1 3.42Å; W80-Y84 VanDerWaalsContact O-CE1 3.31Å; W80-Y84 WeakPolarHBondContact O-CE1 2.94Å; W80-E108 HydrophobicContact CH2-CB 4.42Å; W80-E108 HydrophobicContact CZ3-CB 4.16Å
81E97.4Very high97.1Very high91 Ų9150.6 Ų50.643%0.42524%0.24SC..G310 helixtrans-64.2-26.9-174.277.8-167-167.900113.4N78 L79 Y83 Y84N78-E81 WeakPolarHBondContact O-CG 3.44Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 2.79Å; E81-Y83 PolarHBondContact O-N 2.85Å; E81-Y84 VanDerWaalsContact CA-CD2 3.47Å; E81-Y84 VanDerWaalsContact CA-CE2 3.49Å; E81-Y84 HydrophobicContact CB-CD2 3.91Å; E81-Y84 HydrophobicContact CB-CE2 3.71Å; E81-Y84 PolarHBondContact O-N 3.1Å
82H97.1Very high97.1Very high112 Ų11250.4 Ų50.452%0.51924%0.239SC..G310 helixtrans-62.8-24.1177.1-62.6-179.8000112.8L79 W80L79-H82 PolarHBondContact O-N 3.07Å; W80-H82 PolarHBondContact O-N 2.82Å
83Y97.4Very high97.2Very high41 Ų4150.3 Ų50.316%0.16124%0.237CC..G310 helixtrans-108.8-3.4-175.8-60.4-82.6000113.7F53 F68 M70 L79 W80 E81 K85 E86 G87F53-Y83 HydrophobicContact CD1-CE2 4.26Å; F53-Y83 HydrophobicContact CE1-CE2 4.45Å; F53-Y83 AromaticContact CE1-CZ 3.95Å; F53-Y83 WeakPolarHBondContact CE1-OH 3.4Å; F53-Y83 HydrophobicContact CE2-CE1 4.37Å; F53-Y83 HydrophobicContact CG-CE2 4.42Å; F53-Y83 AromaticContact CZ-CZ 3.9Å; F53-Y83 WeakPolarHBondContact CZ-OH 3.26Å; F68-Y83 AromaticContact CD1-CD1 3.49Å; F68-Y83 HydrophobicContact CD1-CD1 3.49Å; F68-Y83 VanDerWaalsContact CD1-CD1 3.49Å; F68-Y83 AromaticContact CD1-CE1 3.77Å; F68-Y83 HydrophobicContact CD1-CE1 3.77Å; F68-Y83 HydrophobicContact CD1-CG 4.18Å; F68-Y83 AromaticContact CE1-CD1 3.57Å; F68-Y83 HydrophobicContact CE1-CD1 3.57Å; F68-Y83 AromaticContact CE1-CE1 3.75Å; F68-Y83 HydrophobicContact CE1-CE1 3.75Å; F68-Y83 HydrophobicContact CG-CD1 4.3Å; F68-Y83 HydrophobicContact CZ-CD1 4.43Å; M70-Y83 HydrophobicContact CE-CD2 3.43Å; M70-Y83 VanDerWaalsContact CE-CD2 3.43Å; M70-Y83 HydrophobicContact CE-CE2 3.64Å; M70-Y83 HydrophobicContact CE-CG 4.49Å; M70-Y83 HydrophobicContact SD-CD2 3.87Å; M70-Y83 HydrophobicContact SD-CE2 4.25Å; M70-Y83 HydrophobicContact SD-CG 4.46Å; L79-Y83 WeakPolarHBondContact O-CD2 3.37Å; W80-Y83 PolarHBondContact O-N 2.86Å; W80-Y83 VanDerWaalsContact O-N 3.07Å; E81-Y83 PolarHBondContact O-N 2.85Å; Y83-K85 VanDerWaalsContact C-N 3.32Å; Y83-K85 PolarHBondContact O-N 3.17Å; Y83-E86 PolarHBondContact O-N 2.9Å; Y83-G87 PolarHBondContact O-N 3.13Å; Y83-G87 VanDerWaalsContact O-N 3.17Å
84Y98.1Very high97.3Very high11 Ų1148.6 Ų48.64%0.04323%0.23CC..THydrogen-bonded Turntrans-55-44.9-177.6-73.5-11.3000113L21 L23 W80 E81 E86 G87 L112 H115 I118 R121L21-Y84 HydrophobicContact CD1-CD1 3.74Å; L21-Y84 HydrophobicContact CD1-CE1 4.45Å; L23-Y84 HydrophobicContact CD1-CE1 4.06Å; W80-Y84 HydrophobicContact CB-CE1 3.73Å; W80-Y84 WeakPolarHBondContact CB-OH 3.46Å; W80-Y84 WeakPolarHBondContact O-CD1 3.42Å; W80-Y84 VanDerWaalsContact O-CE1 3.31Å; W80-Y84 WeakPolarHBondContact O-CE1 2.94Å; E81-Y84 VanDerWaalsContact CA-CD2 3.47Å; E81-Y84 VanDerWaalsContact CA-CE2 3.49Å; E81-Y84 HydrophobicContact CB-CD2 3.91Å; E81-Y84 HydrophobicContact CB-CE2 3.71Å; E81-Y84 PolarHBondContact O-N 3.1Å; Y84-E86 PolarHBondContact O-N 2.83Å; Y84-G87 PolarHBondContact O-N 2.96Å; Y84-L112 HydrophobicContact CD1-CD1 3.92Å; Y84-L112 HydrophobicContact CE1-CD1 3.23Å; Y84-L112 HydrophobicContact CE2-CD1 4.06Å; Y84-L112 WeakPolarHBondContact OH-CD1 3.18Å; Y84-H115 HydrophobicContact CD2-CB 4.04Å; Y84-H115 AromaticContact CD2-CE1 3.84Å; Y84-H115 AromaticContact CD2-CG 3.58Å; Y84-H115 AromaticContact CD2-ND1 3.42Å; Y84-H115 WeakPolarHBondContact CD2-ND1 3.37Å; Y84-H115 HydrophobicContact CE2-CB 3.85Å; Y84-H115 AromaticContact CE2-CD2 3.89Å; Y84-H115 AromaticContact CE2-CG 3.61Å; Y84-H115 AromaticContact CE2-ND1 3.96Å; Y84-I118 HydrophobicContact CD1-CD1 4.14Å; Y84-I118 HydrophobicContact CD1-CG1 4.22Å; Y84-I118 HydrophobicContact CD2-CD1 4.48Å; Y84-I118 HydrophobicContact CD2-CG1 3.84Å; Y84-I118 HydrophobicContact CE2-CG1 4.45Å; Y84-I118 HydrophobicContact CG-CD1 3.86Å; Y84-I118 HydrophobicContact CG-CG1 3.73Å; Y84-R121 PolarHBondContact O-NH1 2.83Å
85K96.1Very high97.4Very high150 Ų15046.8 Ų46.865%0.65221%0.209SC*.THydrogen-bonded Turntrans-60.6-31.4179.2-66.9-177.4-178.7174.30113.2Y83 D117Y83-K85 VanDerWaalsContact C-N 3.32Å; Y83-K85 PolarHBondContact O-N 3.17Å; K85-D117 WeakPolarHBondContact CE-OD1 3.36Å; K85-D117 WeakPolarHBondContact CE-OD2 3.5Å; K85-D117 HydrophobicContact CG-CB 3.99Å; K85-D117 IonicContact NZ-OD1 2.71Å
86E93.1Very high97.6Very high94 Ų9438.9 Ų38.944%0.43918%0.179SC..THydrogen-bonded Turntrans-84.2-28.9-176.2-60.7176.8-172.600112.6H19 F68 Y83 Y84 Q88H19-E86 WeakPolarHBondContact CB-O 3.39Å; F68-E86 WeakPolarHBondContact CZ-OE2 3.35Å; Y83-E86 PolarHBondContact O-N 2.9Å; Y84-E86 PolarHBondContact O-N 2.83Å; E86-Q88 PolarHBondContact O-N 3.06Å
87G96.3Very high97.7Very high0 Ų038.1 Ų38.10%018%0.18CC..  trans-66.7117.3-178.400000113Y83 Y84 R121Y83-G87 PolarHBondContact O-N 3.13Å; Y83-G87 VanDerWaalsContact O-N 3.17Å; Y84-G87 PolarHBondContact O-N 2.96Å; G87-R121 PolarHBondContact O-NH2 3.19Å
88Q97.6Very high97.7Very high78 Ų7838.1 Ų38.136%0.36418%0.183SC..SBendtrans-89-15.6174.7-61.1176.5-8500112.6V18 H19 E86 I123V18-Q88 HydrophobicContact CG1-CB 3.86Å; H19-Q88 WeakPolarHBondContact O-CB 3.4Å; H19-Q88 PolarHBondContact O-N 3.45Å; E86-Q88 PolarHBondContact O-N 3.06Å; Q88-I123 WeakPolarHBondContact O-CG2 3.38Å
89A98.4Very high97.7Very high0 Ų040.6 Ų40.60%019%0.186CC..EExtended strand (participates in β ladder)trans-152.7164.517100000109.8V20 L21 P124 L177 I181V20-A89 WeakPolarHBondContact CA-O 3.42Å; V20-A89 HydrophobicContact CG2-CB 4.11Å; L21-A89 PolarHBondContact N-O 2.95Å; L21-A89 VanDerWaalsContact N-O 3.07Å; A89-P124 WeakPolarHBondContact CA-O 3.3Å; A89-P124 HydrophobicContact CB-CG 3.83Å; A89-L177 HydrophobicContact CB-CD1 3.91Å; A89-I181 HydrophobicContact CB-CD1 4.1Å; A89-I181 HydrophobicContact CB-CG1 4.32Å
90I98.8Very high97.7Very high0 Ų046.2 Ų46.20%022%0.215CC..EExtended strand (participates in β ladder)trans-121.3134.4176-65.4159.3000109L21 L23 F92 L112 I118 I123 P124 I125 L126L21-I90 HydrophobicContact CB-CG1 4.49Å; L21-I90 CarbonylContact O-C 3.37Å; L21-I90 WeakPolarHBondContact O-CA 3.31Å; L23-I90 HydrophobicContact CD1-CG2 4.29Å; I90-F92 HydrophobicContact CG2-CB 4.27Å; I90-L112 HydrophobicContact CD1-CD1 4.28Å; I90-L112 HydrophobicContact CD1-CD2 4.17Å; I90-L112 HydrophobicContact CD1-CG 4.44Å; I90-L112 HydrophobicContact CG2-CD2 4.41Å; I90-I118 HydrophobicContact CD1-CD1 4.34Å; I90-I123 HydrophobicContact CD1-CD1 3.64Å; I90-I123 HydrophobicContact CD1-CG1 4.5Å; I90-I123 HydrophobicContact CG1-CD1 4.06Å; I90-P124 PolarHBondContact N-O 2.94Å; I90-I125 HydrophobicContact CB-CG1 4.34Å; I90-I125 HydrophobicContact CB-CG2 4.16Å; I90-I125 HydrophobicContact CD1-CD1 4.44Å; I90-I125 HydrophobicContact CD1-CG1 4.41Å; I90-I125 HydrophobicContact CG2-CG2 4.11Å; I90-I125 CarbonylContact O-C 3.56Å; I90-I125 WeakPolarHBondContact O-CA 3.42Å; I90-L126 PolarHBondContact O-N 2.94Å
91I98.9Very high97.7Very high0 Ų049 Ų490%023%0.226CC..EExtended strand (participates in β ladder)trans-103.5118.6159.9-66172.4000106.4V20 L21 C22 L23 V93 L126 F128 L177V20-I91 HydrophobicContact CG1-CB 4.41Å; V20-I91 HydrophobicContact CG1-CD1 3.91Å; V20-I91 HydrophobicContact CG1-CG1 3.77Å; L21-I91 PolarHBondContact O-N 2.88Å; C22-I91 CarbonylContact C-O 3.55Å; C22-I91 WeakPolarHBondContact CA-O 3.3Å; L23-I91 PolarHBondContact N-O 3.44Å; I91-V93 HydrophobicContact CG2-CG2 3.9Å; I91-L126 CarbonylContact C-O 3.58Å; I91-L126 VanDerWaalsContact CA-O 3.3Å; I91-L126 WeakPolarHBondContact CA-O 3.12Å; I91-L126 HydrophobicContact CG1-CB 4.37Å; I91-L126 HydrophobicContact CG1-CD2 4.27Å; I91-F128 HydrophobicContact CG2-CD2 3.7Å; I91-F128 HydrophobicContact CG2-CE2 3.98Å; I91-L177 HydrophobicContact CD1-CD2 4.07Å; I91-L177 HydrophobicContact CG1-CD2 3.85Å
92F98.9Very high97.7Very high0 Ų045 Ų450%021%0.207CC..EExtended strand (participates in β ladder)trans-112.1114.2178.5-162.3-79.8000109.9L23 I90 V94 L109 L112 I125 L126 F127 F128L23-F92 HydrophobicContact CB-CD2 4.06Å; L23-F92 HydrophobicContact CB-CE2 4.43Å; L23-F92 CarbonylContact O-C 3.6Å; L23-F92 WeakPolarHBondContact O-CA 3.3Å; I90-F92 HydrophobicContact CG2-CB 4.27Å; F92-V94 HydrophobicContact CD1-CG2 3.78Å; F92-V94 HydrophobicContact CE1-CG2 3.9Å; F92-L109 HydrophobicContact CD2-CD1 4.13Å; F92-L109 HydrophobicContact CE2-CB 4.2Å; F92-L109 HydrophobicContact CE2-CD1 4.19Å; F92-L109 HydrophobicContact CZ-CB 3.99Å; F92-L112 HydrophobicContact CD2-CD2 4Å; F92-L112 HydrophobicContact CE2-CD2 4.16Å; F92-I125 HydrophobicContact CB-CG2 4.49Å; F92-L126 PolarHBondContact N-O 3.48Å; F92-F127 HydrophobicContact CB-CD1 3.72Å; F92-F127 HydrophobicContact CB-CE1 3.79Å; F92-F127 HydrophobicContact CD1-CD1 4.02Å; F92-F127 HydrophobicContact CD1-CE1 4.05Å; F92-F127 HydrophobicContact CG-CD1 4.16Å; F92-F127 AromaticContact CG-CE1 3.99Å; F92-F127 HydrophobicContact CG-CE1 3.99Å; F92-F127 VanDerWaalsContact O-CA 3.3Å; F92-F127 WeakPolarHBondContact O-CA 3.4Å; F92-F128 PolarHBondContact O-N 3.41Å
93V98.9Very high97.8Very high0 Ų043.9 Ų43.90%021%0.208CC..EExtended strand (participates in β ladder)trans-104.1127.6-172.3-172.10000110.8L23 S28 K30 I33 I91 F128 N130L23-V93 PolarHBondContact O-N 3.31Å; S28-V93 WeakPolarHBondContact CB-O 3.38Å; S28-V93 VanDerWaalsContact O-CG1 3.3Å; S28-V93 WeakPolarHBondContact O-CG1 3.49Å; S28-V93 PolarHBondContact OG-O 3.46Å; K30-V93 HydrophobicContact CB-CG2 4.49Å; K30-V93 HydrophobicContact CG-CB 3.74Å; K30-V93 HydrophobicContact CG-CG1 4.49Å; K30-V93 HydrophobicContact CG-CG2 3.78Å; I33-V93 HydrophobicContact CD1-CB 4.43Å; I33-V93 HydrophobicContact CD1-CG1 3.6Å; I33-V93 HydrophobicContact CD1-CG2 3.91Å; I91-V93 HydrophobicContact CG2-CG2 3.9Å; V93-F128 HydrophobicContact CG1-CB 4.33Å; V93-F128 HydrophobicContact CG2-CB 4.42Å; V93-F128 HydrophobicContact CG2-CD2 4.47Å; V93-N130 HydrophobicContact CG1-CB 3.85Å
94V98.9Very high97.8Very high6 Ų644.1 Ų44.14%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-120132.5-177.1-175.40000109.1F92 S96 M102 F128 N130 V143 L147F92-V94 HydrophobicContact CD1-CG2 3.78Å; F92-V94 HydrophobicContact CE1-CG2 3.9Å; V94-S96 PolarHBondContact O-N 3.19Å; V94-M102 HydrophobicContact CG1-CE 4.09Å; V94-M102 HydrophobicContact CG1-SD 3.62Å; V94-F128 PolarHBondContact N-O 2.79Å; V94-N130 WeakPolarHBondContact O-CB 3.34Å; V94-N130 PolarHBondContact O-N 2.81Å; V94-V143 HydrophobicContact CB-CG1 4.33Å; V94-V143 HydrophobicContact CG1-CG1 4.05Å; V94-L147 HydrophobicContact CG2-CD1 3.88Å
95D98.8Very high97.8Very high12 Ų1243.7 Ų43.76%0.06421%0.212CC..EExtended strand (participates in β ladder)trans-76.4109.1169.2-173.7-21.9000109S97 D98 K131D95-S97 PolarHBondContact O-N 2.91Å; D95-S97 WeakPolarHBondContact OD1-CA 3.39Å; D95-S97 WeakPolarHBondContact OD1-CB 3.43Å; D95-S97 PolarHBondContact OD1-N 3.12Å; D95-S97 PolarHBondContact OD1-OG 3.18Å; D95-D98 HydrophobicContact CB-CB 3.79Å; D95-D98 PolarHBondContact O-N 3.3Å; D95-D98 PolarHBondContact OD1-N 3.31Å; D95-K131 WeakPolarHBondContact OD2-CD 3.21Å; D95-K131 WeakPolarHBondContact OD2-CE 3.43Å; D95-K131 IonicContact OD2-NZ 3.46Å; D95-K131 PolarHBondContact OD2-NZ 2.93Å
96S98.8Very high98Very high0 Ų039.3 Ų39.30%019%0.193CC..THydrogen-bonded Turntrans-72-17.6-177.5-50.40000112.8V94 A129 N130 A137 V138V94-S96 PolarHBondContact O-N 3.19Å; S96-A129 VanDerWaalsContact OG-CA 3.31Å; S96-A129 WeakPolarHBondContact OG-CA 3.35Å; S96-A129 WeakPolarHBondContact OG-CB 3.47Å; S96-A129 PolarHBondContact OG-O 3.44Å; S96-N130 WeakPolarHBondContact CB-O 3.44Å; S96-N130 PolarHBondContact N-O 3.42Å; S96-N130 PolarHBondContact OG-N 3.02Å; S96-N130 PolarHBondContact OG-O 3.32Å; S96-A137 WeakPolarHBondContact O-CA 3.42Å; S96-V138 WeakPolarHBondContact CB-O 3.47Å; S96-V138 VanDerWaalsContact O-CG2 3.28Å; S96-V138 WeakPolarHBondContact O-CG2 3.28Å; S96-V138 PolarHBondContact O-N 3.4Å
97S98.5Very high98.2Very high32 Ų3240 Ų4022%0.22420%0.197CC..THydrogen-bonded Turntrans-83.6-20175.273.60000112.5D95 R99 L134D95-S97 PolarHBondContact O-N 2.91Å; D95-S97 WeakPolarHBondContact OD1-CA 3.39Å; D95-S97 WeakPolarHBondContact OD1-CB 3.43Å; D95-S97 PolarHBondContact OD1-N 3.12Å; D95-S97 PolarHBondContact OD1-OG 3.18Å; S97-R99 PolarHBondContact O-N 2.86Å; S97-R99 VanDerWaalsContact O-N 3.11Å; S97-L134 WeakPolarHBondContact OG-CD1 3.35Å
98D98.1Very high98.4Very high37 Ų3742 Ų4220%0.19821%0.206CC..  trans-90.973.5-175-162.4-25.9000112.2D95 L100 R101 M102D95-D98 HydrophobicContact CB-CB 3.79Å; D95-D98 PolarHBondContact O-N 3.3Å; D95-D98 PolarHBondContact OD1-N 3.31Å; D98-L100 VanDerWaalsContact C-N 3.25Å; D98-L100 PolarHBondContact O-N 3.34Å; D98-R101 PolarHBondContact O-N 3.44Å; D98-R101 WeakPolarHBondContact OD1-CB 3.36Å; D98-R101 PolarHBondContact OD1-N 3.29Å; D98-R101 VanDerWaalsContact OD1-N 3.11Å; D98-R101 IonicContact OD1-NE 3.37Å; D98-R101 IonicContact OD2-CZ 3.87Å; D98-R101 IonicContact OD2-NE 3.38Å; D98-R101 PolarHBondContact OD2-NE 3.36Å; D98-R101 IonicContact OD2-NH2 2.81Å; D98-R101 PolarHBondContact OD2-NH2 3.48Å; D98-M102 PolarHBondContact O-N 3.17Å
99R96.2Very high98.4Very high145 Ų14538.3 Ų38.355%0.54719%0.189SC..SBendtrans-62.3-33-177.1-59.2179.9-173.5-165.10.8112.9S97 M102 D136 V138S97-R99 PolarHBondContact O-N 2.86Å; S97-R99 VanDerWaalsContact O-N 3.11Å; R99-M102 WeakPolarHBondContact O-CB 3.31Å; R99-M102 PolarHBondContact O-N 2.9Å; R99-D136 PolarHBondContact NE-O 3.33Å; R99-D136 PolarHBondContact NH2-O 2.92Å; R99-V138 HydrophobicContact CG-CG1 4.06Å
100L96.8Very high98.4Very high160 Ų16041 Ų4184%0.83820%0.203SC*.THydrogen-bonded Turntrans-68.5-41-177.7-67177.2000111.4D98 M102D98-L100 VanDerWaalsContact C-N 3.25Å; D98-L100 PolarHBondContact O-N 3.34Å; L100-M102 VanDerWaalsContact C-N 3.3Å; L100-M102 PolarHBondContact O-N 2.91Å
101R98.2Very high98.4Very high60 Ų6045.2 Ų45.223%0.22623%0.229CC..THydrogen-bonded Turntrans-875-179.6-63-164.6-64.11556.5114.1L25 D26 D98 V103 V104 A105L25-R101 HydrophobicContact CD1-CB 3.78Å; L25-R101 WeakPolarHBondContact CD1-O 3.5Å; D26-R101 VanDerWaalsContact CG-NH1 3.31Å; D26-R101 PolarHBondContact O-NH1 3.41Å; D26-R101 PolarHBondContact O-NH2 3.3Å; D26-R101 VanDerWaalsContact O-NH2 3.11Å; D26-R101 IonicContact OD1-NH1 3.62Å; D26-R101 PolarHBondContact OD1-NH1 3.33Å; D26-R101 IonicContact OD2-CZ 2.61Å; D26-R101 IonicContact OD2-NH1 3.68Å; D26-R101 PolarHBondContact OD2-NH1 3.25Å; D98-R101 PolarHBondContact O-N 3.44Å; D98-R101 WeakPolarHBondContact OD1-CB 3.36Å; D98-R101 PolarHBondContact OD1-N 3.29Å; D98-R101 VanDerWaalsContact OD1-N 3.11Å; D98-R101 IonicContact OD1-NE 3.37Å; D98-R101 IonicContact OD2-CZ 3.87Å; D98-R101 IonicContact OD2-NE 3.38Å; D98-R101 PolarHBondContact OD2-NE 3.36Å; D98-R101 IonicContact OD2-NH2 2.81Å; D98-R101 PolarHBondContact OD2-NH2 3.48Å; R101-V103 VanDerWaalsContact C-N 3.27Å; R101-V103 PolarHBondContact O-N 2.96Å; R101-V104 PolarHBondContact O-N 2.82Å; R101-V104 VanDerWaalsContact O-N 3.15Å; R101-A105 PolarHBondContact O-N 3.28Å
102M98Very high98.4Very high6 Ų645.2 Ų45.23%0.0323%0.229CC..Hα-helixtrans-60-37.8174.9-160.169.665.100112.3V94 D98 R99 L100 A105 K106 V138 V143 L146 L147V94-M102 HydrophobicContact CG1-CE 4.09Å; V94-M102 HydrophobicContact CG1-SD 3.62Å; D98-M102 PolarHBondContact O-N 3.17Å; R99-M102 WeakPolarHBondContact O-CB 3.31Å; R99-M102 PolarHBondContact O-N 2.9Å; L100-M102 VanDerWaalsContact C-N 3.3Å; L100-M102 PolarHBondContact O-N 2.91Å; M102-A105 PolarHBondContact O-N 2.87Å; M102-K106 PolarHBondContact O-N 3.07Å; M102-V138 HydrophobicContact CE-CG2 4Å; M102-V143 HydrophobicContact CE-CG2 4.14Å; M102-V143 HydrophobicContact SD-CG1 4.22Å; M102-L146 HydrophobicContact CE-CD1 4.34Å; M102-L146 HydrophobicContact CG-CB 3.64Å; M102-L146 HydrophobicContact CG-CD1 3.91Å; M102-L146 HydrophobicContact CG-CG 4.36Å; M102-L147 HydrophobicContact CG-CD2 4.37Å; M102-L147 HydrophobicContact SD-CD2 4.15Å; M102-L147 HydrophobicContact SD-CG 4.34Å
103V98.2Very high98.4Very high89 Ų8946.3 Ų46.354%0.53924%0.235SC..Hα-helixtrans-63.9-43.7175.2174.20000110.9R101 A105 K106 E107R101-V103 VanDerWaalsContact C-N 3.27Å; R101-V103 PolarHBondContact O-N 2.96Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 2.8Å; V103-K106 WeakPolarHBondContact O-CB 3.26Å; V103-K106 PolarHBondContact O-N 3.17Å; V103-E107 WeakPolarHBondContact O-CG 3.3Å; V103-E107 PolarHBondContact O-N 2.88Å
104V98.6Very high98.3Very high46 Ų4651 Ų5128%0.27926%0.26SS..Hα-helixtrans-63.3-41176.2-174.80000110.6L25 R101 K106 E107 E108L25-V104 HydrophobicContact CD1-CB 4.02Å; L25-V104 HydrophobicContact CD1-CG1 4.09Å; L25-V104 HydrophobicContact CD2-CG1 3.94Å; R101-V104 PolarHBondContact O-N 2.82Å; R101-V104 VanDerWaalsContact O-N 3.15Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.04Å; V104-E107 PolarHBondContact O-N 3.28Å; V104-E108 HydrophobicContact CG1-CG 4.47Å; V104-E108 VanDerWaalsContact O-CG 3.28Å; V104-E108 WeakPolarHBondContact O-CG 3.31Å; V104-E108 PolarHBondContact O-N 3.32Å
105A98.7Very high98.3Very high3 Ų352.9 Ų52.93%0.02527%0.268CS..Hα-helixtrans-62.8-38.5176.400000111.8L25 R101 M102 V103 L109 L147L25-A105 HydrophobicContact CD1-CB 3.95Å; L25-A105 HydrophobicContact CG-CB 4.11Å; R101-A105 PolarHBondContact O-N 3.28Å; M102-A105 PolarHBondContact O-N 2.87Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 2.8Å; A105-L109 WeakPolarHBondContact O-CB 3.17Å; A105-L109 PolarHBondContact O-N 2.82Å; A105-L147 HydrophobicContact CB-CD2 4.15Å
106K98.8Very high98.3Very high57 Ų5756.8 Ų56.825%0.24829%0.294CS..Hα-helixtrans-64-47.4173.7-173.6-170.3175.6-66.20111.7M102 V103 V104 E108 L109 D110 L147M102-K106 PolarHBondContact O-N 3.07Å; V103-K106 WeakPolarHBondContact O-CB 3.26Å; V103-K106 PolarHBondContact O-N 3.17Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.04Å; K106-E108 VanDerWaalsContact C-N 3.33Å; K106-E108 PolarHBondContact O-N 3.09Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 2.87Å; K106-D110 IonicContact NZ-OD2 3.77Å; K106-D110 PolarHBondContact NZ-OD2 3.38Å; K106-D110 PolarHBondContact O-N 2.86Å; K106-L147 HydrophobicContact CB-CD2 3.83Å
107E98.7Very high98.2Very high110 Ų11058.9 Ų58.951%0.51431%0.306SS..Hα-helixtrans-60.6-42.1179.2-72.9171.6178.500112V103 V104 D110 T111V103-E107 WeakPolarHBondContact O-CG 3.3Å; V103-E107 PolarHBondContact O-N 2.88Å; V104-E107 PolarHBondContact O-N 3.28Å; E107-D110 PolarHBondContact O-N 3.02Å; E107-T111 WeakPolarHBondContact O-CB 3.13Å; E107-T111 PolarHBondContact O-N 2.77Å; E107-T111 PolarHBondContact O-OG1 3.12Å
108E98.8Very high98.2Very high40 Ų4057.4 Ų57.419%0.18730%0.295CS..Hα-helixtrans-67-38.4175.6-67.4-67.5172.600112L25 R77 W80 V104 K106 T111 L112L25-E108 HydrophobicContact CD2-CB 4.45Å; L25-E108 HydrophobicContact CD2-CG 3.82Å; R77-E108 VanDerWaalsContact CD-CD 3.45Å; R77-E108 WeakPolarHBondContact CD-OE1 3.27Å; R77-E108 IonicContact CZ-OE1 2.8Å; R77-E108 IonicContact NE-OE1 2.66Å; R77-E108 IonicContact NH1-OE1 2.65Å; R77-E108 PolarHBondContact NH1-OE1 3.27Å; W80-E108 HydrophobicContact CH2-CB 4.42Å; W80-E108 HydrophobicContact CZ3-CB 4.16Å; V104-E108 HydrophobicContact CG1-CG 4.47Å; V104-E108 VanDerWaalsContact O-CG 3.28Å; V104-E108 WeakPolarHBondContact O-CG 3.31Å; V104-E108 PolarHBondContact O-N 3.32Å; K106-E108 VanDerWaalsContact C-N 3.33Å; K106-E108 PolarHBondContact O-N 3.09Å; E108-T111 PolarHBondContact O-N 3.18Å; E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.38Å; E108-L112 PolarHBondContact O-N 3.34Å
109L98.8Very high98.2Very high1 Ų160.1 Ų60.11%0.00531%0.305CS..Hα-helixtrans-63.9-45.6173.4177.662.4000111.5F92 A105 K106 T111 L112 L113 F127 L147 L149F92-L109 HydrophobicContact CD2-CD1 4.13Å; F92-L109 HydrophobicContact CE2-CB 4.2Å; F92-L109 HydrophobicContact CE2-CD1 4.19Å; F92-L109 HydrophobicContact CZ-CB 3.99Å; A105-L109 WeakPolarHBondContact O-CB 3.17Å; A105-L109 PolarHBondContact O-N 2.82Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 2.87Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 2.75Å; L109-L112 HydrophobicContact CD1-CD2 4.36Å; L109-L112 WeakPolarHBondContact O-CB 3.07Å; L109-L112 PolarHBondContact O-N 3.12Å; L109-L113 HydrophobicContact CD1-CD1 3.93Å; L109-L113 HydrophobicContact CD1-CG 4.03Å; L109-L113 HydrophobicContact CG-CD1 3.85Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 WeakPolarHBondContact O-CB 3.48Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.25Å; L109-F127 HydrophobicContact CD1-CE1 3.82Å; L109-F127 HydrophobicContact CD1-CZ 3.9Å; L109-F127 HydrophobicContact CD2-CE1 3.68Å; L109-F127 HydrophobicContact CD2-CZ 3.92Å; L109-F127 HydrophobicContact CG-CE1 4.41Å; L109-L147 HydrophobicContact CD2-CB 4.34Å; L109-L149 HydrophobicContact CD2-CD2 3.62Å
110D98.7Very high98.2Very high56 Ų5660.7 Ų60.730%0.29931%0.314SS..Hα-helixtrans-63-40.7177.8-73.6-25.8000111.2K106 E107 L113 N114K106-D110 IonicContact NZ-OD2 3.77Å; K106-D110 PolarHBondContact NZ-OD2 3.38Å; K106-D110 PolarHBondContact O-N 2.86Å; E107-D110 PolarHBondContact O-N 3.02Å; D110-L113 PolarHBondContact O-N 2.98Å; D110-N114 WeakPolarHBondContact O-CB 3.3Å; D110-N114 PolarHBondContact O-N 3.37Å; D110-N114 PolarHBondContact O-ND2 3.45Å
111T98.6Very high98.2Very high90 Ų9056.6 Ų56.655%0.55229%0.287SS*.Hα-helixtrans-61.7-47.6175.5-59.90000110.9E107 E108 L109 N114 H115E107-T111 WeakPolarHBondContact O-CB 3.13Å; E107-T111 PolarHBondContact O-N 2.77Å; E107-T111 PolarHBondContact O-OG1 3.12Å; E108-T111 PolarHBondContact O-N 3.18Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 2.75Å; T111-N114 PolarHBondContact O-N 3.45Å; T111-H115 PolarHBondContact O-N 3.15Å
112L98.6Very high98.1Very high0 Ų061.5 Ų61.50%031%0.306CS..Hα-helixtrans-57.6-50175.1168.466.6000112L23 Y84 I90 F92 E108 L109 N114 H115 I118L23-L112 HydrophobicContact CD1-CD1 3.77Å; L23-L112 HydrophobicContact CD1-CD2 3.71Å; L23-L112 HydrophobicContact CD1-CG 4.4Å; Y84-L112 HydrophobicContact CD1-CD1 3.92Å; Y84-L112 HydrophobicContact CE1-CD1 3.23Å; Y84-L112 HydrophobicContact CE2-CD1 4.06Å; Y84-L112 WeakPolarHBondContact OH-CD1 3.18Å; I90-L112 HydrophobicContact CD1-CD1 4.28Å; I90-L112 HydrophobicContact CD1-CD2 4.17Å; I90-L112 HydrophobicContact CD1-CG 4.44Å; I90-L112 HydrophobicContact CG2-CD2 4.41Å; F92-L112 HydrophobicContact CD2-CD2 4Å; F92-L112 HydrophobicContact CE2-CD2 4.16Å; E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.38Å; E108-L112 PolarHBondContact O-N 3.34Å; L109-L112 HydrophobicContact CD1-CD2 4.36Å; L109-L112 WeakPolarHBondContact O-CB 3.07Å; L109-L112 PolarHBondContact O-N 3.12Å; L112-N114 VanDerWaalsContact C-N 3.32Å; L112-N114 PolarHBondContact O-N 3.07Å; L112-H115 WeakPolarHBondContact O-CB 3.45Å; L112-H115 PolarHBondContact O-N 2.87Å; L112-I118 HydrophobicContact CD1-CG1 4.04Å; L112-I118 WeakPolarHBondContact O-CB 3.49Å
113L98.5Very high98Very high22 Ų2261.8 Ų61.812%0.11531%0.307CS..Hα-helixtrans-67.2-31.5-176.3-71172.3000112.9L109 D110 K119 I125 I152 K155L109-L113 HydrophobicContact CD1-CD1 3.93Å; L109-L113 HydrophobicContact CD1-CG 4.03Å; L109-L113 HydrophobicContact CG-CD1 3.85Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 WeakPolarHBondContact O-CB 3.48Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.25Å; D110-L113 PolarHBondContact O-N 2.98Å; L113-K119 VanDerWaalsContact O-CA 3.26Å; L113-K119 WeakPolarHBondContact O-CA 3.39Å; L113-K119 WeakPolarHBondContact O-CB 3.27Å; L113-I125 HydrophobicContact CD2-CD1 3.55Å; L113-I152 HydrophobicContact CD1-CD1 3.73Å; L113-I152 HydrophobicContact CD1-CG1 3.82Å; L113-K155 HydrophobicContact CD2-CD 4.19Å
114N98.3Very high98Very high100 Ų10057.7 Ų57.754%0.53528%0.282SS..Hα-helixtrans-85.5-9.7179-75.2-60.9000113.9D110 T111 L112D110-N114 WeakPolarHBondContact O-CB 3.3Å; D110-N114 PolarHBondContact O-N 3.37Å; D110-N114 PolarHBondContact O-ND2 3.45Å; T111-N114 PolarHBondContact O-N 3.45Å; L112-N114 VanDerWaalsContact C-N 3.32Å; L112-N114 PolarHBondContact O-N 3.07Å
115H98.6Very high98Very high44 Ų4455.5 Ų55.520%0.20427%0.269CS..SBendtrans-62.6136.6179.6-169.2-84.8000111.4Y84 T111 L112 D117 I118 K119Y84-H115 HydrophobicContact CD2-CB 4.04Å; Y84-H115 AromaticContact CD2-CE1 3.84Å; Y84-H115 AromaticContact CD2-CG 3.58Å; Y84-H115 AromaticContact CD2-ND1 3.42Å; Y84-H115 WeakPolarHBondContact CD2-ND1 3.37Å; Y84-H115 HydrophobicContact CE2-CB 3.85Å; Y84-H115 AromaticContact CE2-CD2 3.89Å; Y84-H115 AromaticContact CE2-CG 3.61Å; Y84-H115 AromaticContact CE2-ND1 3.96Å; T111-H115 PolarHBondContact O-N 3.15Å; L112-H115 WeakPolarHBondContact O-CB 3.45Å; L112-H115 PolarHBondContact O-N 2.87Å; H115-D117 IonicContact CE1-OD2 3.34Å; H115-D117 PolarHBondContact CE1-OD2 3.44Å; H115-D117 PolarHBondContact ND1-N 3.05Å; H115-D117 VanDerWaalsContact ND1-N 3.18Å; H115-D117 IonicContact ND1-OD2 2.64Å; H115-D117 PolarHBondContact O-N 2.83Å; H115-D117 VanDerWaalsContact O-N 3.12Å; H115-I118 PolarHBondContact O-N 3.38Å; H115-K119 WeakPolarHBondContact O-CB 3.39Å; H115-K119 PolarHBondContact O-N 3.43Å
116P97.8Very high98Very high95 Ų9555.3 Ų55.362%0.61727%0.268SS*.Hα-helixtrans-53.1-36.9-176.4-2935.3000114.8I118P116-I118 PolarHBondContact O-N 2.64Å
117D98.1Very high98Very high44 Ų4452.7 Ų52.724%0.23526%0.256CS..Hα-helixtrans-75.7-4.2178.9-67.6-31.1000114.9K85 H115 R121K85-D117 WeakPolarHBondContact CE-OD1 3.36Å; K85-D117 WeakPolarHBondContact CE-OD2 3.5Å; K85-D117 HydrophobicContact CG-CB 3.99Å; K85-D117 IonicContact NZ-OD1 2.71Å; H115-D117 IonicContact CE1-OD2 3.34Å; H115-D117 PolarHBondContact CE1-OD2 3.44Å; H115-D117 PolarHBondContact ND1-N 3.05Å; H115-D117 VanDerWaalsContact ND1-N 3.18Å; H115-D117 IonicContact ND1-OD2 2.64Å; H115-D117 PolarHBondContact O-N 2.83Å; H115-D117 VanDerWaalsContact O-N 3.12Å; D117-R121 WeakPolarHBondContact O-CD 3.47Å; D117-R121 PolarHBondContact O-NH1 3.43Å
118I98.3Very high98.1Very high0 Ų047.4 Ų47.40%023%0.232CC..Hα-helixtrans-122.7-43.4-179.8-60.9-63.4000111.2Y84 I90 L112 H115 P116 H120 R121 I123 K155Y84-I118 HydrophobicContact CD1-CD1 4.14Å; Y84-I118 HydrophobicContact CD1-CG1 4.22Å; Y84-I118 HydrophobicContact CD2-CD1 4.48Å; Y84-I118 HydrophobicContact CD2-CG1 3.84Å; Y84-I118 HydrophobicContact CE2-CG1 4.45Å; Y84-I118 HydrophobicContact CG-CD1 3.86Å; Y84-I118 HydrophobicContact CG-CG1 3.73Å; I90-I118 HydrophobicContact CD1-CD1 4.34Å; L112-I118 HydrophobicContact CD1-CG1 4.04Å; L112-I118 WeakPolarHBondContact O-CB 3.49Å; H115-I118 PolarHBondContact O-N 3.38Å; P116-I118 PolarHBondContact O-N 2.64Å; I118-H120 VanDerWaalsContact C-N 3.29Å; I118-H120 PolarHBondContact O-N 3.31Å; I118-H120 VanDerWaalsContact O-N 3.12Å; I118-R121 PolarHBondContact O-N 2.92Å; I118-I123 HydrophobicContact CD1-CD1 3.93Å; I118-K155 PolarHBondContact O-NZ 2.88Å; I118-K155 VanDerWaalsContact O-NZ 3.09Å
119K97.5Very high98.1Very high95 Ų9545.5 Ų45.541%0.41322%0.223SC..Hα-helixtrans-47.3-48.1-171.4-175.1174-176.8169.80113.1L113 H115 K155L113-K119 VanDerWaalsContact O-CA 3.26Å; L113-K119 WeakPolarHBondContact O-CA 3.39Å; L113-K119 WeakPolarHBondContact O-CB 3.27Å; H115-K119 WeakPolarHBondContact O-CB 3.39Å; H115-K119 PolarHBondContact O-N 3.43Å; K119-K155 PolarHBondContact O-NZ 2.96Å
120H95.8Very high98.1Very high157 Ų15745.6 Ų45.673%0.72722%0.223SC*.THydrogen-bonded Turntrans-90.91.1-175-58.7-62.8000114.7I118I118-H120 VanDerWaalsContact C-N 3.29Å; I118-H120 PolarHBondContact O-N 3.31Å; I118-H120 VanDerWaalsContact O-N 3.12Å
121R96.4Very high98.1Very high73 Ų7344.6 Ų44.628%0.27522%0.216SC..  trans-100.6127.8-177.4-65.5168.269.5-149.6-0.4110.6Y84 G87 D117 I118 I123 K155Y84-R121 PolarHBondContact O-NH1 2.83Å; G87-R121 PolarHBondContact O-NH2 3.19Å; D117-R121 WeakPolarHBondContact O-CD 3.47Å; D117-R121 PolarHBondContact O-NH1 3.43Å; I118-R121 PolarHBondContact O-N 2.92Å; R121-I123 VanDerWaalsContact C-N 3.27Å; R121-I123 HydrophobicContact CB-CG2 4.23Å; R121-I123 PolarHBondContact O-N 3.2Å; R121-K155 PolarHBondContact O-NZ 3.42Å
122R96Very high98.1Very high164 Ų16443.4 Ų43.462%0.61921%0.205SC*.  trans-82.672172.8-172.1171179.6-105.9-0.9110.1
123I96.8Very high98Very high11 Ų1146.4 Ų46.46%0.05622%0.221CC..  trans-100140174.657.3175.9000110.3Q88 I90 I118 R121Q88-I123 WeakPolarHBondContact O-CG2 3.38Å; I90-I123 HydrophobicContact CD1-CD1 3.64Å; I90-I123 HydrophobicContact CD1-CG1 4.5Å; I90-I123 HydrophobicContact CG1-CD1 4.06Å; I118-I123 HydrophobicContact CD1-CD1 3.93Å; R121-I123 VanDerWaalsContact C-N 3.27Å; R121-I123 HydrophobicContact CB-CG2 4.23Å; R121-I123 PolarHBondContact O-N 3.2Å
124P98.4Very high98Very high3 Ų348.8 Ų48.82%0.01923%0.233CC..  trans-69.4143.7177.326-30.8000112A89 I90 P156 W176 L177 Q180 I181A89-P124 WeakPolarHBondContact CA-O 3.3Å; A89-P124 HydrophobicContact CB-CG 3.83Å; I90-P124 PolarHBondContact N-O 2.94Å; P124-P156 VanDerWaalsContact CA-O 3.31Å; P124-P156 WeakPolarHBondContact CA-O 3.45Å; P124-P156 HydrophobicContact CB-CG 4.05Å; P124-W176 HydrophobicContact CB-CH2 4.11Å; P124-W176 HydrophobicContact CB-CZ3 4.32Å; P124-L177 HydrophobicContact CB-CD1 3.98Å; P124-L177 HydrophobicContact CG-CD1 4.04Å; P124-Q180 HydrophobicContact CB-CB 3.77Å; P124-Q180 HydrophobicContact CB-CG 4.38Å; P124-Q180 HydrophobicContact CG-CB 4.11Å; P124-I181 HydrophobicContact CG-CG1 3.92Å
125I98.8Very high97.9Very high0 Ų055.9 Ų55.90%025%0.253CS..EExtended strand (participates in β ladder)trans-122.3113.6177.4-49.6-178.8000109.4I90 F92 L113 F127 K155 P156 W157 H158I90-I125 HydrophobicContact CB-CG1 4.34Å; I90-I125 HydrophobicContact CB-CG2 4.16Å; I90-I125 HydrophobicContact CD1-CD1 4.44Å; I90-I125 HydrophobicContact CD1-CG1 4.41Å; I90-I125 HydrophobicContact CG2-CG2 4.11Å; I90-I125 CarbonylContact O-C 3.56Å; I90-I125 WeakPolarHBondContact O-CA 3.42Å; F92-I125 HydrophobicContact CB-CG2 4.49Å; L113-I125 HydrophobicContact CD2-CD1 3.55Å; I125-F127 HydrophobicContact CB-CE2 3.99Å; I125-F127 HydrophobicContact CB-CZ 4.39Å; I125-F127 HydrophobicContact CG2-CD2 4.02Å; I125-F127 HydrophobicContact CG2-CE1 4.15Å; I125-F127 HydrophobicContact CG2-CE2 3.43Å; I125-F127 VanDerWaalsContact CG2-CE2 3.43Å; I125-F127 HydrophobicContact CG2-CZ 3.5Å; I125-K155 HydrophobicContact CD1-CD 3.91Å; I125-P156 PolarHBondContact N-O 2.8Å; I125-W157 HydrophobicContact CB-CB 4.34Å; I125-W157 WeakPolarHBondContact O-CA 3.09Å; I125-W157 WeakPolarHBondContact O-CB 3.41Å; I125-H158 PolarHBondContact O-N 3.47Å; I125-H158 VanDerWaalsContact O-N 3.16Å
126L98.9Very high97.7Very high0 Ų059 Ų590%027%0.271CS..EExtended strand (participates in β ladder)trans-94.1123171.3175.365.5000109.3I90 I91 F92 F128 G173 W176 L177I90-L126 PolarHBondContact O-N 2.94Å; I91-L126 CarbonylContact C-O 3.58Å; I91-L126 VanDerWaalsContact CA-O 3.3Å; I91-L126 WeakPolarHBondContact CA-O 3.12Å; I91-L126 HydrophobicContact CG1-CB 4.37Å; I91-L126 HydrophobicContact CG1-CD2 4.27Å; F92-L126 PolarHBondContact N-O 3.48Å; L126-F128 HydrophobicContact CD2-CD2 4.36Å; L126-F128 HydrophobicContact CD2-CE1 4.34Å; L126-F128 HydrophobicContact CD2-CE2 3.61Å; L126-F128 HydrophobicContact CD2-CZ 3.6Å; L126-F128 HydrophobicContact CG-CE2 4.29Å; L126-F128 HydrophobicContact CG-CZ 4.36Å; L126-G173 VanDerWaalsContact CD2-C 3.42Å; L126-G173 VanDerWaalsContact CD2-O 3.29Å; L126-G173 WeakPolarHBondContact CD2-O 3.46Å; L126-W176 HydrophobicContact CB-CE3 4.29Å; L126-W176 HydrophobicContact CB-CZ3 4.06Å; L126-W176 HydrophobicContact CD1-CE3 4.05Å; L126-W176 HydrophobicContact CD1-CZ3 4.49Å; L126-L177 HydrophobicContact CB-CD1 4.15Å; L126-L177 HydrophobicContact CB-CD2 4.34Å; L126-L177 HydrophobicContact CD2-CB 4.32Å; L126-L177 HydrophobicContact CD2-CD2 4.3Å
127F98.9Very high97.7Very high1 Ų155.5 Ų55.50%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-97.8131.6172.4-65-90000110.1F92 L109 I125 L149 I152 W157 H158 I159 C160F92-F127 HydrophobicContact CB-CD1 3.72Å; F92-F127 HydrophobicContact CB-CE1 3.79Å; F92-F127 HydrophobicContact CD1-CD1 4.02Å; F92-F127 HydrophobicContact CD1-CE1 4.05Å; F92-F127 HydrophobicContact CG-CD1 4.16Å; F92-F127 AromaticContact CG-CE1 3.99Å; F92-F127 HydrophobicContact CG-CE1 3.99Å; F92-F127 VanDerWaalsContact O-CA 3.3Å; F92-F127 WeakPolarHBondContact O-CA 3.4Å; L109-F127 HydrophobicContact CD1-CE1 3.82Å; L109-F127 HydrophobicContact CD1-CZ 3.9Å; L109-F127 HydrophobicContact CD2-CE1 3.68Å; L109-F127 HydrophobicContact CD2-CZ 3.92Å; L109-F127 HydrophobicContact CG-CE1 4.41Å; I125-F127 HydrophobicContact CB-CE2 3.99Å; I125-F127 HydrophobicContact CB-CZ 4.39Å; I125-F127 HydrophobicContact CG2-CD2 4.02Å; I125-F127 HydrophobicContact CG2-CE1 4.15Å; I125-F127 HydrophobicContact CG2-CE2 3.43Å; I125-F127 VanDerWaalsContact CG2-CE2 3.43Å; I125-F127 HydrophobicContact CG2-CZ 3.5Å; F127-L149 HydrophobicContact CD1-CD1 4.32Å; F127-L149 HydrophobicContact CD1-CD2 4.25Å; F127-L149 HydrophobicContact CD2-CD1 3.83Å; F127-L149 HydrophobicContact CD2-CD2 4.41Å; F127-L149 HydrophobicContact CE1-CD2 3.72Å; F127-L149 HydrophobicContact CE2-CD1 4.07Å; F127-L149 HydrophobicContact CE2-CD2 3.88Å; F127-L149 HydrophobicContact CG-CD1 3.97Å; F127-L149 HydrophobicContact CZ-CD1 4.42Å; F127-L149 HydrophobicContact CZ-CD2 3.51Å; F127-I152 HydrophobicContact CE2-CD1 4.26Å; F127-I152 HydrophobicContact CZ-CD1 3.98Å; F127-W157 HydrophobicContact CD2-CB 4.38Å; F127-W157 HydrophobicContact CD2-CE3 4.43Å; F127-W157 HydrophobicContact CE2-CB 3.97Å; F127-H158 PolarHBondContact N-O 3.15Å; F127-I159 HydrophobicContact CB-CB 3.91Å; F127-I159 HydrophobicContact CB-CD1 4.1Å; F127-I159 HydrophobicContact CB-CG1 3.75Å; F127-I159 WeakPolarHBondContact O-CA 3.46Å; F127-C160 PolarHBondContact O-N 2.92Å
128F98.9Very high97.7Very high0 Ų054.2 Ų54.20%024%0.244CC..EExtended strand (participates in β ladder)trans-105.5112.4165.3-78.3-58.3000109.4I33 I91 F92 V93 V94 L126 N130 C160 L170I33-F128 HydrophobicContact CD1-CB 3.79Å; I33-F128 HydrophobicContact CD1-CD2 3.73Å; I33-F128 HydrophobicContact CD1-CG 3.85Å; I33-F128 HydrophobicContact CG2-CD2 4.1Å; I33-F128 HydrophobicContact CG2-CE2 3.92Å; I91-F128 HydrophobicContact CG2-CD2 3.7Å; I91-F128 HydrophobicContact CG2-CE2 3.98Å; F92-F128 PolarHBondContact O-N 3.41Å; V93-F128 HydrophobicContact CG1-CB 4.33Å; V93-F128 HydrophobicContact CG2-CB 4.42Å; V93-F128 HydrophobicContact CG2-CD2 4.47Å; V94-F128 PolarHBondContact N-O 2.79Å; L126-F128 HydrophobicContact CD2-CD2 4.36Å; L126-F128 HydrophobicContact CD2-CE1 4.34Å; L126-F128 HydrophobicContact CD2-CE2 3.61Å; L126-F128 HydrophobicContact CD2-CZ 3.6Å; L126-F128 HydrophobicContact CG-CE2 4.29Å; L126-F128 HydrophobicContact CG-CZ 4.36Å; F128-N130 VanDerWaalsContact C-N 3.31Å; F128-N130 PolarHBondContact O-N 3.46Å; F128-N130 VanDerWaalsContact O-N 3.17Å; F128-C160 HydrophobicContact CD1-CB 3.93Å; F128-C160 HydrophobicContact CE1-CB 3.92Å; F128-L170 HydrophobicContact CD1-CD2 4.09Å; F128-L170 HydrophobicContact CE1-CD2 3.78Å; F128-L170 HydrophobicContact CE2-CD2 4.29Å; F128-L170 HydrophobicContact CG-CD2 4.49Å; F128-L170 HydrophobicContact CZ-CD2 3.88Å
129A98.9Very high97.7Very high0 Ų058 Ų580%027%0.267CS..EExtended strand (participates in β ladder)trans-78.786.4162.700000107.4S96 M132 V143 I159 C160 S162S96-A129 VanDerWaalsContact OG-CA 3.31Å; S96-A129 WeakPolarHBondContact OG-CA 3.35Å; S96-A129 WeakPolarHBondContact OG-CB 3.47Å; S96-A129 PolarHBondContact OG-O 3.44Å; A129-M132 WeakPolarHBondContact O-CG 3.21Å; A129-V143 HydrophobicContact CB-CB 4.28Å; A129-V143 HydrophobicContact CB-CG1 4.45Å; A129-V143 HydrophobicContact CB-CG2 3.99Å; A129-I159 HydrophobicContact CB-CD1 4.22Å; A129-I159 HydrophobicContact CB-CG1 4.29Å; A129-C160 PolarHBondContact N-O 3Å; A129-S162 PolarHBondContact O-N 3.47Å
130N98.9Very high97.8Very high3 Ų354.8 Ų54.82%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-89.8167.5-167.6-168.838.2000112.9S28 I33 V93 V94 S96 F128 S162 A164S28-N130 PolarHBondContact O-ND2 3.31Å; I33-N130 HydrophobicContact CD1-CB 4.26Å; V93-N130 HydrophobicContact CG1-CB 3.85Å; V94-N130 WeakPolarHBondContact O-CB 3.34Å; V94-N130 PolarHBondContact O-N 2.81Å; S96-N130 WeakPolarHBondContact CB-O 3.44Å; S96-N130 PolarHBondContact N-O 3.42Å; S96-N130 PolarHBondContact OG-N 3.02Å; S96-N130 PolarHBondContact OG-O 3.32Å; F128-N130 VanDerWaalsContact C-N 3.31Å; F128-N130 PolarHBondContact O-N 3.46Å; F128-N130 VanDerWaalsContact O-N 3.17Å; N130-S162 CarbonylContact C-O 3.54Å; N130-S162 VanDerWaalsContact CA-O 3.32Å; N130-S162 WeakPolarHBondContact CA-O 3.46Å; N130-S162 VanDerWaalsContact CA-OG 3.31Å; N130-S162 WeakPolarHBondContact CA-OG 3.27Å; N130-S162 WeakPolarHBondContact CB-OG 3.42Å; N130-S162 PolarHBondContact OD1-O 3.31Å; N130-S162 PolarHBondContact OD1-OG 3.46Å; N130-S162 VanDerWaalsContact OD1-OG 3.09Å; N130-A164 PolarHBondContact OD1-N 2.71Å; N130-A164 VanDerWaalsContact OD1-N 3.15Å
131K98.7Very high97.9Very high34 Ų3451.8 Ų51.815%0.14825%0.249CC..  trans6737.6-179.1-46.5-165.5-168.7172.90114.1N27 D95 D133 L134 A137 S162N27-K131 PolarHBondContact ND2-NZ 2.86Å; N27-K131 WeakPolarHBondContact O-CE 3.28Å; N27-K131 PolarHBondContact O-NZ 3.34Å; D95-K131 WeakPolarHBondContact OD2-CD 3.21Å; D95-K131 WeakPolarHBondContact OD2-CE 3.43Å; D95-K131 IonicContact OD2-NZ 3.46Å; D95-K131 PolarHBondContact OD2-NZ 2.93Å; K131-D133 VanDerWaalsContact C-OD1 3.23Å; K131-D133 VanDerWaalsContact CA-OD1 3.28Å; K131-D133 WeakPolarHBondContact CA-OD1 3.31Å; K131-D133 PolarHBondContact O-N 3.36Å; K131-D133 VanDerWaalsContact O-N 3.16Å; K131-L134 HydrophobicContact CB-CD1 3.82Å; K131-L134 HydrophobicContact CB-CG 4.15Å; K131-L134 HydrophobicContact CD-CD1 3.92Å; K131-L134 WeakPolarHBondContact O-CB 3.37Å; K131-L134 PolarHBondContact O-N 3.18Å; K131-L134 VanDerWaalsContact O-N 3.09Å; K131-A137 WeakPolarHBondContact O-CB 3.16Å; K131-S162 PolarHBondContact N-O 2.99Å
132M98.5Very high98Very high65 Ų6552.6 Ų52.632%0.3226%0.255SS..THydrogen-bonded Turntrans-67.2-8.6178.7-68.3-63.3-5400113.9A129 L134 A137 A161 S162A129-M132 WeakPolarHBondContact O-CG 3.21Å; M132-L134 VanDerWaalsContact C-N 3.27Å; M132-A137 HydrophobicContact SD-CB 4.14Å; M132-A161 HydrophobicContact CE-CB 4.43Å; M132-A161 HydrophobicContact CG-CB 3.95Å; M132-A161 HydrophobicContact SD-CB 4.33Å; M132-S162 WeakPolarHBondContact CG-O 3.4Å; M132-S162 PolarHBondContact N-O 3.29Å; M132-S162 VanDerWaalsContact N-O 3.08Å
133D98.1Very high98.1Very high63 Ų6344.8 Ų44.834%0.33723%0.225SC..THydrogen-bonded Turntrans-70.9-20.1169.558.4-63.2000113.7K131 D163K131-D133 VanDerWaalsContact C-OD1 3.23Å; K131-D133 VanDerWaalsContact CA-OD1 3.28Å; K131-D133 WeakPolarHBondContact CA-OD1 3.31Å; K131-D133 PolarHBondContact O-N 3.36Å; K131-D133 VanDerWaalsContact O-N 3.16Å; D133-D163 WeakPolarHBondContact CB-OD2 3.17Å
134L98.2Very high98.2Very high72 Ų7245.1 Ų45.138%0.37723%0.228SC..SBendtrans-82.5138-178.6-59.2-179.2000111.4S97 K131 M132 D136 A137S97-L134 WeakPolarHBondContact OG-CD1 3.35Å; K131-L134 HydrophobicContact CB-CD1 3.82Å; K131-L134 HydrophobicContact CB-CG 4.15Å; K131-L134 HydrophobicContact CD-CD1 3.92Å; K131-L134 WeakPolarHBondContact O-CB 3.37Å; K131-L134 PolarHBondContact O-N 3.18Å; K131-L134 VanDerWaalsContact O-N 3.09Å; M132-L134 VanDerWaalsContact C-N 3.27Å; L134-D136 PolarHBondContact O-N 2.88Å; L134-A137 WeakPolarHBondContact O-CB 3.46Å; L134-A137 PolarHBondContact O-N 3.26Å; L134-A137 VanDerWaalsContact O-N 3.08Å
135R95.2Very high98.2Very high250 Ų25050 Ų5094%0.94325%0.251SS*.THydrogen-bonded Turntrans-58.3-33.8-177.3-67.4-176-178.1-172.90.5113.7A137R135-A137 VanDerWaalsContact C-N 3.33Å
136D94.6Very high98.2Very high109 Ų10953.2 Ų53.258%0.58327%0.268SS*.THydrogen-bonded Turntrans-890-176.6-63.6-43.4000113.7R99 L134 V138R99-D136 PolarHBondContact NE-O 3.33Å; R99-D136 PolarHBondContact NH2-O 2.92Å; L134-D136 PolarHBondContact O-N 2.88Å; D136-V138 PolarHBondContact O-N 2.91Å
137A98.1Very high98.2Very high21 Ų2153.3 Ų53.317%0.17427%0.268CS..PPolyproline II helixtrans-58.5126.3179.100000111.3S96 K131 M132 L134 R135S96-A137 WeakPolarHBondContact O-CA 3.42Å; K131-A137 WeakPolarHBondContact O-CB 3.16Å; M132-A137 HydrophobicContact SD-CB 4.14Å; L134-A137 WeakPolarHBondContact O-CB 3.46Å; L134-A137 PolarHBondContact O-N 3.26Å; L134-A137 VanDerWaalsContact O-N 3.08Å; R135-A137 VanDerWaalsContact C-N 3.33Å
138V98.1Very high98.2Very high17 Ų1755 Ų5510%0.10328%0.279CS..PPolyproline II helixtrans-80.3149.6171.6-61.40000110.3S96 R99 M102 D136 K142 V143S96-V138 WeakPolarHBondContact CB-O 3.47Å; S96-V138 VanDerWaalsContact O-CG2 3.28Å; S96-V138 WeakPolarHBondContact O-CG2 3.28Å; S96-V138 PolarHBondContact O-N 3.4Å; R99-V138 HydrophobicContact CG-CG1 4.06Å; M102-V138 HydrophobicContact CE-CG2 4Å; D136-V138 PolarHBondContact O-N 2.91Å; V138-K142 HydrophobicContact CB-CB 4.25Å; V138-K142 HydrophobicContact CB-CG 4.26Å; V138-V143 HydrophobicContact CG2-CG2 3.55Å
139T98.5Very high98.1Very high81 Ų8155 Ų5550%0.49728%0.279SS..PPolyproline II helixtrans-65.2155-178.964.50000111.8V141 K142 V143T139-V141 PolarHBondContact O-N 3.32Å; T139-K142 WeakPolarHBondContact O-CA 3.35Å; T139-K142 PolarHBondContact O-N 2.99Å; T139-K142 PolarHBondContact OG1-N 2.87Å; T139-V143 PolarHBondContact O-N 3.08Å
140S98.3Very high98.1Very high27 Ų2759 Ų5919%0.18930%0.298CS..Hα-helixtrans-53.9-37.9174.154.10000112.7K142 V143 S144 I159S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 3.07Å; S140-V143 PolarHBondContact O-N 3.18Å; S140-S144 WeakPolarHBondContact O-CB 3.46Å; S140-S144 PolarHBondContact O-N 3.08Å; S140-I159 WeakPolarHBondContact O-CD1 3.32Å
141V98.4Very high98.1Very high94 Ų9464.4 Ų64.457%0.5733%0.327SS*.Hα-helixtrans-59.5-43.7173.6178.70000111.1T139 S144 Q145T139-V141 PolarHBondContact O-N 3.32Å; V141-S144 WeakPolarHBondContact O-CB 3.3Å; V141-S144 PolarHBondContact O-N 3.23Å; V141-Q145 WeakPolarHBondContact O-CG 3.42Å; V141-Q145 PolarHBondContact O-N 2.82Å; V141-Q145 VanDerWaalsContact O-N 3.12Å
142K98.5Very high98.1Very high90 Ų9063.5 Ų63.539%0.39132%0.324SS..Hα-helixtrans-71.3-39178.7-17256.6175.3176.80112.1V138 T139 S140 S144 Q145 L146V138-K142 HydrophobicContact CB-CB 4.25Å; V138-K142 HydrophobicContact CB-CG 4.26Å; T139-K142 WeakPolarHBondContact O-CA 3.35Å; T139-K142 PolarHBondContact O-N 2.99Å; T139-K142 PolarHBondContact OG1-N 2.87Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 3.07Å; K142-S144 VanDerWaalsContact C-N 3.31Å; K142-S144 PolarHBondContact O-N 3.16Å; K142-Q145 PolarHBondContact O-N 3.09Å; K142-L146 HydrophobicContact CD-CD1 4.48Å; K142-L146 HydrophobicContact CD-CG 4.39Å; K142-L146 HydrophobicContact CG-CD1 4.02Å; K142-L146 HydrophobicContact CG-CG 4.4Å; K142-L146 VanDerWaalsContact O-CG 3.27Å; K142-L146 WeakPolarHBondContact O-CG 3.4Å; K142-L146 PolarHBondContact O-N 3.32Å
143V98.8Very high98Very high0 Ų068.6 Ų68.60%034%0.344CS..Hα-helixtrans-57.5-46.7171.8176.30000110.2V94 M102 A129 V138 T139 S140 Q145 L146 L147 I159V94-V143 HydrophobicContact CB-CG1 4.33Å; V94-V143 HydrophobicContact CG1-CG1 4.05Å; M102-V143 HydrophobicContact CE-CG2 4.14Å; M102-V143 HydrophobicContact SD-CG1 4.22Å; A129-V143 HydrophobicContact CB-CB 4.28Å; A129-V143 HydrophobicContact CB-CG1 4.45Å; A129-V143 HydrophobicContact CB-CG2 3.99Å; V138-V143 HydrophobicContact CG2-CG2 3.55Å; T139-V143 PolarHBondContact O-N 3.08Å; S140-V143 PolarHBondContact O-N 3.18Å; V143-Q145 VanDerWaalsContact C-N 3.33Å; V143-Q145 PolarHBondContact O-N 2.97Å; V143-L146 PolarHBondContact O-N 3.45Å; V143-L146 VanDerWaalsContact O-N 3.17Å; V143-L147 HydrophobicContact CG1-CD1 3.67Å; V143-L147 HydrophobicContact CG1-CG 4.25Å; V143-L147 WeakPolarHBondContact O-CG 3.42Å; V143-L147 PolarHBondContact O-N 2.89Å; V143-I159 HydrophobicContact CB-CD1 4.05Å; V143-I159 HydrophobicContact CG1-CD1 3.89Å
144S98.8Very high97.9Very high18 Ų1869.6 Ų69.613%0.12635%0.35CS..Hα-helixtrans-57-44.5178.1175.60000112.4S140 V141 K142 C148 L149S140-S144 WeakPolarHBondContact O-CB 3.46Å; S140-S144 PolarHBondContact O-N 3.08Å; V141-S144 WeakPolarHBondContact O-CB 3.3Å; V141-S144 PolarHBondContact O-N 3.23Å; K142-S144 VanDerWaalsContact C-N 3.31Å; K142-S144 PolarHBondContact O-N 3.16Å; S144-C148 PolarHBondContact O-N 2.91Å; S144-L149 PolarHBondContact O-N 2.9Å
145Q98.6Very high97.9Very high104 Ų10466.5 Ų66.549%0.48633%0.333SS..Hα-helixtrans-64.6-43.8175.5-69.8173.4-8.600112.6V141 K142 V143 L147 C148V141-Q145 WeakPolarHBondContact O-CG 3.42Å; V141-Q145 PolarHBondContact O-N 2.82Å; V141-Q145 VanDerWaalsContact O-N 3.12Å; K142-Q145 PolarHBondContact O-N 3.09Å; V143-Q145 VanDerWaalsContact C-N 3.33Å; V143-Q145 PolarHBondContact O-N 2.97Å; Q145-L147 VanDerWaalsContact C-N 3.31Å; Q145-L147 PolarHBondContact O-N 2.89Å; Q145-C148 PolarHBondContact O-N 3.18Å; Q145-C148 VanDerWaalsContact O-N 3.13Å
146L98.4Very high98Very high69 Ų6955.7 Ų55.736%0.36130%0.295SS..Hα-helixtrans-68.4-31-177.4-70.7169.9000112.6M102 K142 V143 C148M102-L146 HydrophobicContact CE-CD1 4.34Å; M102-L146 HydrophobicContact CG-CB 3.64Å; M102-L146 HydrophobicContact CG-CD1 3.91Å; M102-L146 HydrophobicContact CG-CG 4.36Å; K142-L146 HydrophobicContact CD-CD1 4.48Å; K142-L146 HydrophobicContact CD-CG 4.39Å; K142-L146 HydrophobicContact CG-CD1 4.02Å; K142-L146 HydrophobicContact CG-CG 4.4Å; K142-L146 VanDerWaalsContact O-CG 3.27Å; K142-L146 WeakPolarHBondContact O-CG 3.4Å; K142-L146 PolarHBondContact O-N 3.32Å; V143-L146 PolarHBondContact O-N 3.45Å; V143-L146 VanDerWaalsContact O-N 3.17Å; L146-C148 VanDerWaalsContact C-N 3.33Å
147L98.7Very high98.2Very high2 Ų254 Ų541%0.0128%0.281CS..THydrogen-bonded Turntrans-87.7-4.3173.8-60.8176.7000113V94 M102 A105 K106 L109 V143 Q145 L149V94-L147 HydrophobicContact CG2-CD1 3.88Å; M102-L147 HydrophobicContact CG-CD2 4.37Å; M102-L147 HydrophobicContact SD-CD2 4.15Å; M102-L147 HydrophobicContact SD-CG 4.34Å; A105-L147 HydrophobicContact CB-CD2 4.15Å; K106-L147 HydrophobicContact CB-CD2 3.83Å; L109-L147 HydrophobicContact CD2-CB 4.34Å; V143-L147 HydrophobicContact CG1-CD1 3.67Å; V143-L147 HydrophobicContact CG1-CG 4.25Å; V143-L147 WeakPolarHBondContact O-CG 3.42Å; V143-L147 PolarHBondContact O-N 2.89Å; Q145-L147 VanDerWaalsContact C-N 3.31Å; Q145-L147 PolarHBondContact O-N 2.89Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 HydrophobicContact CB-CD2 3.66Å; L147-L149 HydrophobicContact CB-CG 4Å; L147-L149 HydrophobicContact CD1-CD2 4.3Å; L147-L149 PolarHBondContact O-N 3.1Å
148C98.4Very high98.3Very high35 Ų3555.8 Ų55.824%0.23629%0.285CS..THydrogen-bonded Turntrans52.843.6-176.4-500000113.1S144 Q145 L146 E150 N151S144-C148 PolarHBondContact O-N 2.91Å; Q145-C148 PolarHBondContact O-N 3.18Å; Q145-C148 VanDerWaalsContact O-N 3.13Å; L146-C148 VanDerWaalsContact C-N 3.33Å; C148-E150 VanDerWaalsContact CA-OE2 3.31Å; C148-E150 WeakPolarHBondContact CA-OE2 3.4Å; C148-E150 PolarHBondContact O-N 3.24Å; C148-E150 VanDerWaalsContact O-N 3.12Å; C148-N151 WeakPolarHBondContact CB-ND2 3.3Å; C148-N151 WeakPolarHBondContact O-CB 3.13Å; C148-N151 PolarHBondContact O-N 3.15Å
149L98.7Very high98.3Very high0 Ų056.1 Ų56.10%029%0.286CS..G310 helixtrans-61-24.1-175.7-58.6-174000112.6L109 F127 S144 L147 N151 I152 W157 I159L109-L149 HydrophobicContact CD2-CD2 3.62Å; F127-L149 HydrophobicContact CD1-CD1 4.32Å; F127-L149 HydrophobicContact CD1-CD2 4.25Å; F127-L149 HydrophobicContact CD2-CD1 3.83Å; F127-L149 HydrophobicContact CD2-CD2 4.41Å; F127-L149 HydrophobicContact CE1-CD2 3.72Å; F127-L149 HydrophobicContact CE2-CD1 4.07Å; F127-L149 HydrophobicContact CE2-CD2 3.88Å; F127-L149 HydrophobicContact CG-CD1 3.97Å; F127-L149 HydrophobicContact CZ-CD1 4.42Å; F127-L149 HydrophobicContact CZ-CD2 3.51Å; S144-L149 PolarHBondContact O-N 2.9Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 HydrophobicContact CB-CD2 3.66Å; L147-L149 HydrophobicContact CB-CG 4Å; L147-L149 HydrophobicContact CD1-CD2 4.3Å; L147-L149 PolarHBondContact O-N 3.1Å; L149-N151 PolarHBondContact O-N 2.96Å; L149-N151 VanDerWaalsContact O-N 3.12Å; L149-I152 HydrophobicContact CD2-CD1 4.01Å; L149-I152 WeakPolarHBondContact O-CB 3.39Å; L149-I152 PolarHBondContact O-N 2.85Å; L149-W157 HydrophobicContact CB-CD2 4.31Å; L149-W157 HydrophobicContact CB-CE3 4.24Å; L149-W157 HydrophobicContact CB-CH2 3.81Å; L149-W157 HydrophobicContact CB-CZ2 3.85Å; L149-W157 HydrophobicContact CB-CZ3 4.01Å; L149-W157 HydrophobicContact CD1-CE3 4.06Å; L149-W157 HydrophobicContact CD1-CH2 4.48Å; L149-W157 HydrophobicContact CD1-CZ3 3.9Å; L149-W157 PolarHBondContact O-NE1 3.14Å; L149-I159 HydrophobicContact CD1-CB 4.43Å; L149-I159 HydrophobicContact CD1-CD1 4.02Å
150E98Very high98.3Very high84 Ų8452.4 Ų52.439%0.39326%0.264SS..G310 helixtrans-58.2-21.9173.269.2-79.3-175.300113.4C148 I152 K153C148-E150 VanDerWaalsContact CA-OE2 3.31Å; C148-E150 WeakPolarHBondContact CA-OE2 3.4Å; C148-E150 PolarHBondContact O-N 3.24Å; C148-E150 VanDerWaalsContact O-N 3.12Å; E150-I152 VanDerWaalsContact C-N 3.28Å; E150-I152 PolarHBondContact O-N 3.47Å; E150-K153 WeakPolarHBondContact O-CD 3.32Å; E150-K153 WeakPolarHBondContact O-CE 3.39Å; E150-K153 PolarHBondContact O-NZ 2.83Å
151N98.3Very high98.3Very high118 Ų11853 Ų5363%0.63127%0.271SS*.G310 helixtrans-76.9-14.6176.9-67-24.6000113C148 L149 K153C148-N151 WeakPolarHBondContact CB-ND2 3.3Å; C148-N151 WeakPolarHBondContact O-CB 3.13Å; C148-N151 PolarHBondContact O-N 3.15Å; L149-N151 PolarHBondContact O-N 2.96Å; L149-N151 VanDerWaalsContact O-N 3.12Å; N151-K153 PolarHBondContact O-N 2.84Å; N151-K153 VanDerWaalsContact O-N 3.14Å
152I98.4Very high98.3Very high15 Ų1548.7 Ų48.78%0.07724%0.244CC..  trans-79.197.5174.7-51174.4000108L113 F127 L149 E150 K155 W157L113-I152 HydrophobicContact CD1-CD1 3.73Å; L113-I152 HydrophobicContact CD1-CG1 3.82Å; F127-I152 HydrophobicContact CE2-CD1 4.26Å; F127-I152 HydrophobicContact CZ-CD1 3.98Å; L149-I152 HydrophobicContact CD2-CD1 4.01Å; L149-I152 WeakPolarHBondContact O-CB 3.39Å; L149-I152 PolarHBondContact O-N 2.85Å; E150-I152 VanDerWaalsContact C-N 3.28Å; E150-I152 PolarHBondContact O-N 3.47Å; I152-K155 HydrophobicContact CG2-CB 3.97Å; I152-K155 HydrophobicContact CG2-CG 4.46Å; I152-W157 PolarHBondContact O-NE1 2.81Å
153K97.3Very high98.3Very high171 Ų17144.5 Ų44.574%0.74323%0.226SC*.  trans-103-21.8-176.8-59.4-53.7-168.2-168.70114.1E150 N151E150-K153 WeakPolarHBondContact O-CD 3.32Å; E150-K153 WeakPolarHBondContact O-CE 3.39Å; E150-K153 PolarHBondContact O-NZ 2.83Å; N151-K153 PolarHBondContact O-N 2.84Å; N151-K153 VanDerWaalsContact O-N 3.14Å
154D96.6Very high98.3Very high84 Ų8444.7 Ų44.745%0.44923%0.228SC..SBendtrans-97.9-6.1-170.167.5-47.3000113.4
155K97.5Very high98.2Very high8 Ų849.6 Ų49.64%0.03525%0.251CS..SBendtrans-131.3137.2-178.3-51.7-174.3-161-410110.2L113 I118 K119 R121 I125 I152 W157L113-K155 HydrophobicContact CD2-CD 4.19Å; I118-K155 PolarHBondContact O-NZ 2.88Å; I118-K155 VanDerWaalsContact O-NZ 3.09Å; K119-K155 PolarHBondContact O-NZ 2.96Å; R121-K155 PolarHBondContact O-NZ 3.42Å; I125-K155 HydrophobicContact CD1-CD 3.91Å; I152-K155 HydrophobicContact CG2-CB 3.97Å; I152-K155 HydrophobicContact CG2-CG 4.46Å; K155-W157 PolarHBondContact O-N 2.61Å
156P98Very high98.2Very high22 Ų2250.5 Ų50.514%0.14325%0.254CS..  trans-66.7133.8169.826.6-28.9000109.2P124 I125 W176 Q180P124-P156 VanDerWaalsContact CA-O 3.31Å; P124-P156 WeakPolarHBondContact CA-O 3.45Å; P124-P156 HydrophobicContact CB-CG 4.05Å; I125-P156 PolarHBondContact N-O 2.8Å; P156-W176 HydrophobicContact CB-CZ2 4.41Å; P156-Q180 VanDerWaalsContact CB-OE1 3.29Å
157W98.7Very high98.2Very high74 Ų7448.3 Ų48.328%0.2825%0.248SC..EExtended strand (participates in β ladder)trans-140.2156.7176.865.8-95.3000111.5I125 F127 L149 I152 K155 I159 W176I125-W157 HydrophobicContact CB-CB 4.34Å; I125-W157 WeakPolarHBondContact O-CA 3.09Å; I125-W157 WeakPolarHBondContact O-CB 3.41Å; F127-W157 HydrophobicContact CD2-CB 4.38Å; F127-W157 HydrophobicContact CD2-CE3 4.43Å; F127-W157 HydrophobicContact CE2-CB 3.97Å; L149-W157 HydrophobicContact CB-CD2 4.31Å; L149-W157 HydrophobicContact CB-CE3 4.24Å; L149-W157 HydrophobicContact CB-CH2 3.81Å; L149-W157 HydrophobicContact CB-CZ2 3.85Å; L149-W157 HydrophobicContact CB-CZ3 4.01Å; L149-W157 HydrophobicContact CD1-CE3 4.06Å; L149-W157 HydrophobicContact CD1-CH2 4.48Å; L149-W157 HydrophobicContact CD1-CZ3 3.9Å; L149-W157 PolarHBondContact O-NE1 3.14Å; I152-W157 PolarHBondContact O-NE1 2.81Å; K155-W157 PolarHBondContact O-N 2.61Å; W157-I159 HydrophobicContact CZ3-CB 4.46Å; W157-I159 HydrophobicContact CZ3-CG2 4.04Å; W157-W176 VanDerWaalsContact C-CH2 3.42Å; W157-W176 VanDerWaalsContact CA-CH2 3.46Å; W157-W176 WeakPolarHBondContact O-CZ2 3.47Å
158H98.7Very high98.2Very high58 Ų5853.9 Ų53.927%0.26927%0.274SS..EExtended strand (participates in β ladder)trans-148153.7173.4-17467.9000110.1I125 F127 C160 W176I125-H158 PolarHBondContact O-N 3.47Å; I125-H158 VanDerWaalsContact O-N 3.16Å; F127-H158 PolarHBondContact N-O 3.15Å; H158-C160 PolarHBondContact CD2-SG 3.44Å; H158-C160 PolarHBondContact NE2-SG 3.35Å; H158-W176 HydrophobicContact CB-CD2 3.31Å; H158-W176 HydrophobicContact CB-CE3 3.65Å; H158-W176 HydrophobicContact CB-CG 3.83Å; H158-W176 HydrophobicContact CB-CH2 3.87Å; H158-W176 HydrophobicContact CB-CZ2 3.51Å; H158-W176 HydrophobicContact CB-CZ3 3.92Å; H158-W176 AromaticContact CD2-CG 3.95Å; H158-W176 AromaticContact CG-CD1 3.98Å; H158-W176 AromaticContact CG-CD2 3.97Å; H158-W176 AromaticContact CG-CG 3.94Å
159I98.8Very high98.1Very high24 Ų2453.3 Ų53.312%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-128.4124.5179.7-173166.3000110.4F127 A129 S140 V143 L149 W157F127-I159 HydrophobicContact CB-CB 3.91Å; F127-I159 HydrophobicContact CB-CD1 4.1Å; F127-I159 HydrophobicContact CB-CG1 3.75Å; F127-I159 WeakPolarHBondContact O-CA 3.46Å; A129-I159 HydrophobicContact CB-CD1 4.22Å; A129-I159 HydrophobicContact CB-CG1 4.29Å; S140-I159 WeakPolarHBondContact O-CD1 3.32Å; V143-I159 HydrophobicContact CB-CD1 4.05Å; V143-I159 HydrophobicContact CG1-CD1 3.89Å; L149-I159 HydrophobicContact CD1-CB 4.43Å; L149-I159 HydrophobicContact CD1-CD1 4.02Å; W157-I159 HydrophobicContact CZ3-CB 4.46Å; W157-I159 HydrophobicContact CZ3-CG2 4.04Å
160C98.6Very high98.1Very high4 Ų453.5 Ų53.53%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-110.1136.4175.2-60.30000109.9F127 F128 A129 H158 G173F127-C160 PolarHBondContact O-N 2.92Å; F128-C160 HydrophobicContact CD1-CB 3.93Å; F128-C160 HydrophobicContact CE1-CB 3.92Å; A129-C160 PolarHBondContact N-O 3Å; H158-C160 PolarHBondContact CD2-SG 3.44Å; H158-C160 PolarHBondContact NE2-SG 3.35Å; C160-G173 WeakPolarHBondContact SG-CA 3.28Å
161A98.7Very high98.1Very high40 Ų4054.4 Ų54.433%0.33128%0.279SS..EExtended strand (participates in β ladder)trans-68.6134.2161.200000108.2M132 G169M132-A161 HydrophobicContact CE-CB 4.43Å; M132-A161 HydrophobicContact CG-CB 3.95Å; M132-A161 HydrophobicContact SD-CB 4.33Å; A161-G169 WeakPolarHBondContact O-CA 3.17Å
162S98.8Very high98.1Very high2 Ų254.6 Ų54.61%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-143.2151.4-177.868.90000115A129 N130 K131 M132 E168A129-S162 PolarHBondContact O-N 3.47Å; N130-S162 CarbonylContact C-O 3.54Å; N130-S162 VanDerWaalsContact CA-O 3.32Å; N130-S162 WeakPolarHBondContact CA-O 3.46Å; N130-S162 VanDerWaalsContact CA-OG 3.31Å; N130-S162 WeakPolarHBondContact CA-OG 3.27Å; N130-S162 WeakPolarHBondContact CB-OG 3.42Å; N130-S162 PolarHBondContact OD1-O 3.31Å; N130-S162 PolarHBondContact OD1-OG 3.46Å; N130-S162 VanDerWaalsContact OD1-OG 3.09Å; K131-S162 PolarHBondContact N-O 2.99Å; M132-S162 WeakPolarHBondContact CG-O 3.4Å; M132-S162 PolarHBondContact N-O 3.29Å; M132-S162 VanDerWaalsContact N-O 3.08Å; S162-E168 VanDerWaalsContact CA-O 3.31Å; S162-E168 WeakPolarHBondContact CA-O 3.19Å
163D98.6Very high98.1Very high2 Ų253.9 Ų53.91%0.01127%0.273CS..BIsolated β-bridgetrans-121.4105.5164.7172.8-13.3000107.3D133 I165 K166 G167 E168D133-D163 WeakPolarHBondContact CB-OD2 3.17Å; D163-I165 PolarHBondContact O-N 3.4Å; D163-I165 WeakPolarHBondContact OD1-CA 3.41Å; D163-I165 WeakPolarHBondContact OD1-CB 3.43Å; D163-I165 PolarHBondContact OD1-N 3.38Å; D163-K166 HydrophobicContact CB-CB 4.41Å; D163-K166 PolarHBondContact OD1-N 3.12Å; D163-K166 WeakPolarHBondContact OD2-CB 3.3Å; D163-K166 WeakPolarHBondContact OD2-CD 3.35Å; D163-K166 WeakPolarHBondContact OD2-CE 3.42Å; D163-K166 WeakPolarHBondContact OD2-CG 3.29Å; D163-K166 IonicContact OD2-NZ 3.98Å; D163-K166 PolarHBondContact OD2-NZ 3.2Å; D163-G167 CarbonylContact O-C 3.59Å; D163-G167 VanDerWaalsContact O-CA 3.26Å; D163-G167 WeakPolarHBondContact O-CA 3.49Å; D163-G167 PolarHBondContact O-N 2.88Å; D163-E168 HydrophobicContact CB-CB 4.35Å; D163-E168 PolarHBondContact N-O 3.4Å; D163-E168 VanDerWaalsContact N-O 3.12Å; D163-E168 PolarHBondContact O-N 3.11Å
164A98.3Very high98.1Very high5 Ų545.8 Ų45.84%0.04124%0.237CC..THydrogen-bonded Turntrans-66.4-23.6-178.800000113.9T32 I33 K36 N130T32-A164 HydrophobicContact CG2-CB 3.66Å; I33-A164 HydrophobicContact CB-CB 4.49Å; I33-A164 HydrophobicContact CG1-CB 3.48Å; I33-A164 VanDerWaalsContact CG1-CB 3.48Å; K36-A164 WeakPolarHBondContact CG-O 3.41Å; N130-A164 PolarHBondContact OD1-N 2.71Å; N130-A164 VanDerWaalsContact OD1-N 3.15Å
165I97.2Very high98.2Very high121 Ų12144.2 Ų44.262%0.62123%0.229SC*.THydrogen-bonded Turntrans-76.1-48.4-179.1-60.8172.8000108.9K36 D163K36-I165 WeakPolarHBondContact CE-O 3.49Å; K36-I165 PolarHBondContact NZ-O 3.01Å; D163-I165 PolarHBondContact O-N 3.4Å; D163-I165 WeakPolarHBondContact OD1-CA 3.41Å; D163-I165 WeakPolarHBondContact OD1-CB 3.43Å; D163-I165 PolarHBondContact OD1-N 3.38Å
166K97.4Very high98.2Very high122 Ų12246 Ų4653%0.5324%0.236SC..THydrogen-bonded Turntrans-80.9-28.8178.3-65.1179.6-156.4149.50113K36 D163 E168K36-K166 VanDerWaalsContact CE-C 3.47Å; K36-K166 WeakPolarHBondContact CE-O 3.4Å; K36-K166 PolarHBondContact NZ-O 3.4Å; D163-K166 HydrophobicContact CB-CB 4.41Å; D163-K166 PolarHBondContact OD1-N 3.12Å; D163-K166 WeakPolarHBondContact OD2-CB 3.3Å; D163-K166 WeakPolarHBondContact OD2-CD 3.35Å; D163-K166 WeakPolarHBondContact OD2-CE 3.42Å; D163-K166 WeakPolarHBondContact OD2-CG 3.29Å; D163-K166 IonicContact OD2-NZ 3.98Å; D163-K166 PolarHBondContact OD2-NZ 3.2Å; K166-E168 HydrophobicContact CB-CG 4.08Å
167G97.9Very high98.2Very high24 Ų2445 Ų4525%0.24723%0.229CC..THydrogen-bonded Turntrans90.38.5-175.600000114.1D163D163-G167 CarbonylContact O-C 3.59Å; D163-G167 VanDerWaalsContact O-CA 3.26Å; D163-G167 WeakPolarHBondContact O-CA 3.49Å; D163-G167 PolarHBondContact O-N 2.88Å
168E98.4Very high98.1Very high119 Ų11941.9 Ų41.956%0.55622%0.218SC*.BIsolated β-bridgetrans-65.8138.8179.1-64.7176.5-174.900110.5S162 D163 K166 L170S162-E168 VanDerWaalsContact CA-O 3.31Å; S162-E168 WeakPolarHBondContact CA-O 3.19Å; D163-E168 HydrophobicContact CB-CB 4.35Å; D163-E168 PolarHBondContact N-O 3.4Å; D163-E168 VanDerWaalsContact N-O 3.12Å; D163-E168 PolarHBondContact O-N 3.11Å; K166-E168 HydrophobicContact CB-CG 4.08Å; E168-L170 PolarHBondContact O-N 3.01Å; E168-L170 VanDerWaalsContact O-N 3.1Å
169G98.1Very high97.9Very high23 Ų2343 Ų4324%0.23723%0.226CC..THydrogen-bonded Turntrans73.7-13.3-179.900000116.1A161 G173A161-G169 WeakPolarHBondContact O-CA 3.17Å; G169-G173 PolarHBondContact O-N 2.8Å
170L98.5Very high97.8Very high3 Ų344 Ų442%0.01623%0.23CC..Hα-helixtrans-68.1-43.3-176.1-60.3-170.7000112.9I33 K36 L37 F128 E168 G173 V174I33-L170 HydrophobicContact CB-CD2 4.44Å; I33-L170 HydrophobicContact CD1-CD2 4.09Å; I33-L170 HydrophobicContact CG1-CD2 3.93Å; I33-L170 HydrophobicContact CG2-CD1 4.29Å; I33-L170 HydrophobicContact CG2-CD2 3.91Å; K36-L170 HydrophobicContact CB-CD1 3.81Å; K36-L170 HydrophobicContact CG-CD1 3.78Å; L37-L170 HydrophobicContact CD2-CB 3.95Å; L37-L170 HydrophobicContact CG-CD1 4.46Å; F128-L170 HydrophobicContact CD1-CD2 4.09Å; F128-L170 HydrophobicContact CE1-CD2 3.78Å; F128-L170 HydrophobicContact CE2-CD2 4.29Å; F128-L170 HydrophobicContact CG-CD2 4.49Å; F128-L170 HydrophobicContact CZ-CD2 3.88Å; E168-L170 PolarHBondContact O-N 3.01Å; E168-L170 VanDerWaalsContact O-N 3.1Å; L170-G173 PolarHBondContact O-N 2.65Å; L170-V174 WeakPolarHBondContact O-CG2 3.11Å; L170-V174 PolarHBondContact O-N 3.07Å; L170-V174 VanDerWaalsContact O-N 3.07Å
171Q97.8Very high97.6Very high103 Ų10344.4 Ų44.448%0.48123%0.231SC..Hα-helixtrans-65.3-43.8-177.1-1735751.400111.4G173 V174 D175Q171-G173 VanDerWaalsContact C-N 3.33Å; Q171-G173 PolarHBondContact O-N 3.1Å; Q171-V174 PolarHBondContact O-N 3.39Å; Q171-D175 VanDerWaalsContact NE2-CG 3.28Å; Q171-D175 PolarHBondContact NE2-OD1 2.8Å; Q171-D175 PolarHBondContact NE2-OD2 3.39Å; Q171-D175 VanDerWaalsContact NE2-OD2 3.14Å; Q171-D175 WeakPolarHBondContact O-CB 3.23Å; Q171-D175 VanDerWaalsContact O-CG 3.25Å; Q171-D175 PolarHBondContact O-N 3.31Å
172E97.5Very high97.1Very high122 Ų12246.4 Ų46.457%0.5723%0.234SC*.Hα-helixtrans-56.3-46.5175.6-177.6-175.417000111.7V174 D175 W176E172-V174 PolarHBondContact O-N 3.11Å; E172-D175 PolarHBondContact O-N 3.34Å; E172-W176 PolarHBondContact O-N 2.87Å
173G98.4Very high96.2Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-63.3-43.1177.900000113L126 C160 G169 L170 Q171 D175 W176 L177L126-G173 VanDerWaalsContact CD2-C 3.42Å; L126-G173 VanDerWaalsContact CD2-O 3.29Å; L126-G173 WeakPolarHBondContact CD2-O 3.46Å; C160-G173 WeakPolarHBondContact SG-CA 3.28Å; G169-G173 PolarHBondContact O-N 2.8Å; L170-G173 PolarHBondContact O-N 2.65Å; Q171-G173 VanDerWaalsContact C-N 3.33Å; Q171-G173 PolarHBondContact O-N 3.1Å; G173-D175 VanDerWaalsContact C-N 3.32Å; G173-D175 PolarHBondContact O-N 3.11Å; G173-W176 PolarHBondContact O-N 2.79Å; G173-L177 WeakPolarHBondContact O-CB 2.87Å; G173-L177 PolarHBondContact O-N 3.23Å
174V98.1Very high94.6Very high1 Ų153.4 Ų53.41%0.00628%0.277CS..Hα-helixtrans-66.1-36.2176.6169.70000111.6L37 F58 F65 L170 Q171 E172 L177 Q178L37-V174 HydrophobicContact CD1-CG2 3.79Å; L37-V174 HydrophobicContact CD2-CG2 3.74Å; L37-V174 HydrophobicContact CG-CG2 4.44Å; F58-V174 HydrophobicContact CE2-CG1 3.9Å; F58-V174 HydrophobicContact CE2-CG2 4.23Å; F58-V174 HydrophobicContact CZ-CG1 4.44Å; F58-V174 HydrophobicContact CZ-CG2 4.21Å; F65-V174 HydrophobicContact CE2-CG1 4.2Å; F65-V174 HydrophobicContact CZ-CG1 4.4Å; L170-V174 WeakPolarHBondContact O-CG2 3.11Å; L170-V174 PolarHBondContact O-N 3.07Å; L170-V174 VanDerWaalsContact O-N 3.07Å; Q171-V174 PolarHBondContact O-N 3.39Å; E172-V174 PolarHBondContact O-N 3.11Å; V174-L177 PolarHBondContact O-N 2.62Å; V174-Q178 PolarHBondContact O-N 2.74Å
175D97.8Very high92.2Very high52 Ų5259.9 Ų59.928%0.27830%0.304SS..Hα-helixtrans-67.5-41.1176.7-71.6-27.7000111.6Q171 E172 G173 L177 Q178 D179Q171-D175 VanDerWaalsContact NE2-CG 3.28Å; Q171-D175 PolarHBondContact NE2-OD1 2.8Å; Q171-D175 PolarHBondContact NE2-OD2 3.39Å; Q171-D175 VanDerWaalsContact NE2-OD2 3.14Å; Q171-D175 WeakPolarHBondContact O-CB 3.23Å; Q171-D175 VanDerWaalsContact O-CG 3.25Å; Q171-D175 PolarHBondContact O-N 3.31Å; E172-D175 PolarHBondContact O-N 3.34Å; G173-D175 VanDerWaalsContact C-N 3.32Å; G173-D175 PolarHBondContact O-N 3.11Å; D175-L177 VanDerWaalsContact C-N 3.32Å; D175-L177 PolarHBondContact O-N 3Å; D175-Q178 WeakPolarHBondContact O-CG 3.17Å; D175-Q178 PolarHBondContact OD1-NE2 2.94Å; D175-D179 VanDerWaalsContact O-CG 3.25Å; D175-D179 PolarHBondContact O-N 3.04Å
176W98.1Very high89.3Confident46 Ų4663.2 Ų63.217%0.17433%0.33CS..Hα-helixtrans-60.9-43.5170175.888.5000111.7P124 L126 P156 W157 H158 E172 G173 Q178 D179 Q180P124-W176 HydrophobicContact CB-CH2 4.11Å; P124-W176 HydrophobicContact CB-CZ3 4.32Å; L126-W176 HydrophobicContact CB-CE3 4.29Å; L126-W176 HydrophobicContact CB-CZ3 4.06Å; L126-W176 HydrophobicContact CD1-CE3 4.05Å; L126-W176 HydrophobicContact CD1-CZ3 4.49Å; P156-W176 HydrophobicContact CB-CZ2 4.41Å; W157-W176 VanDerWaalsContact C-CH2 3.42Å; W157-W176 VanDerWaalsContact CA-CH2 3.46Å; W157-W176 WeakPolarHBondContact O-CZ2 3.47Å; H158-W176 HydrophobicContact CB-CD2 3.31Å; H158-W176 HydrophobicContact CB-CE3 3.65Å; H158-W176 HydrophobicContact CB-CG 3.83Å; H158-W176 HydrophobicContact CB-CH2 3.87Å; H158-W176 HydrophobicContact CB-CZ2 3.51Å; H158-W176 HydrophobicContact CB-CZ3 3.92Å; H158-W176 AromaticContact CD2-CG 3.95Å; H158-W176 AromaticContact CG-CD1 3.98Å; H158-W176 AromaticContact CG-CD2 3.97Å; H158-W176 AromaticContact CG-CG 3.94Å; E172-W176 PolarHBondContact O-N 2.87Å; G173-W176 PolarHBondContact O-N 2.79Å; W176-Q178 PolarHBondContact O-N 3.48Å; W176-D179 PolarHBondContact O-N 2.84Å; W176-Q180 HydrophobicContact CD2-CG 3.91Å; W176-Q180 VanDerWaalsContact CE2-CG 3.44Å; W176-Q180 HydrophobicContact CE3-CG 4.27Å; W176-Q180 HydrophobicContact CH2-CG 3.8Å; W176-Q180 HydrophobicContact CZ2-CG 3.41Å; W176-Q180 VanDerWaalsContact CZ2-CG 3.41Å; W176-Q180 HydrophobicContact CZ3-CG 4.22Å; W176-Q180 WeakPolarHBondContact O-CG 3.23Å; W176-Q180 PolarHBondContact O-N 3.33Å
177L97.9Very high88.8Confident0 Ų060.3 Ų60.30%032%0.32CS..Hα-helixtrans-64.8-43.3-176.5-171.160.9000112F65 A89 I91 P124 L126 G173 V174 D175 D179 Q180 I181F65-L177 HydrophobicContact CE1-CD2 4.19Å; A89-L177 HydrophobicContact CB-CD1 3.91Å; I91-L177 HydrophobicContact CD1-CD2 4.07Å; I91-L177 HydrophobicContact CG1-CD2 3.85Å; P124-L177 HydrophobicContact CB-CD1 3.98Å; P124-L177 HydrophobicContact CG-CD1 4.04Å; L126-L177 HydrophobicContact CB-CD1 4.15Å; L126-L177 HydrophobicContact CB-CD2 4.34Å; L126-L177 HydrophobicContact CD2-CB 4.32Å; L126-L177 HydrophobicContact CD2-CD2 4.3Å; G173-L177 WeakPolarHBondContact O-CB 2.87Å; G173-L177 PolarHBondContact O-N 3.23Å; V174-L177 PolarHBondContact O-N 2.62Å; D175-L177 VanDerWaalsContact C-N 3.32Å; D175-L177 PolarHBondContact O-N 3Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.29Å; L177-Q180 PolarHBondContact O-N 3.08Å; L177-I181 HydrophobicContact CD1-CD1 4.32Å; L177-I181 HydrophobicContact CG-CD1 3.87Å; L177-I181 WeakPolarHBondContact O-CD1 3.02Å; L177-I181 VanDerWaalsContact O-CG1 3.25Å; L177-I181 WeakPolarHBondContact O-CG1 3.02Å; L177-I181 PolarHBondContact O-N 2.66Å
178Q96.2Very high88.4Confident9 Ų962.2 Ų62.24%0.04232%0.324CS..Hα-helixtrans-62.5-40.7177.269.5-176.1-13.700111.7S60 S61 L63 F65 V174 D175 W176 Q180 I181 Q182S60-Q178 PolarHBondContact OG-OE1 3.02Å; S61-Q178 PolarHBondContact OG-NE2 2.83Å; S61-Q178 PolarHBondContact OG-OE1 2.61Å; L63-Q178 HydrophobicContact CD1-CB 3.62Å; L63-Q178 HydrophobicContact CG-CB 4.24Å; F65-Q178 HydrophobicContact CZ-CB 4.31Å; V174-Q178 PolarHBondContact O-N 2.74Å; D175-Q178 WeakPolarHBondContact O-CG 3.17Å; D175-Q178 PolarHBondContact OD1-NE2 2.94Å; W176-Q178 PolarHBondContact O-N 3.48Å; Q178-Q180 PolarHBondContact O-N 3.43Å; Q178-I181 PolarHBondContact O-N 3.26Å; Q178-Q182 VanDerWaalsContact O-CG 3.32Å; Q178-Q182 WeakPolarHBondContact O-CG 3.47Å; Q178-Q182 PolarHBondContact O-N 3.38Å
179D95.7Very high87.8Confident82 Ų8259.1 Ų59.144%0.43931%0.311SS..Hα-helixtrans-65.7-41.5-178.9-70.1-7.2000110.5D175 W176 L177 I181 Q182 T183D175-D179 VanDerWaalsContact O-CG 3.25Å; D175-D179 PolarHBondContact O-N 3.04Å; W176-D179 PolarHBondContact O-N 2.84Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.29Å; D179-I181 PolarHBondContact O-N 3.37Å; D179-Q182 PolarHBondContact O-N 3.14Å; D179-T183 WeakPolarHBondContact O-CG2 3.49Å; D179-T183 PolarHBondContact O-N 2.83Å; D179-T183 PolarHBondContact O-OG1 3.37Å
180Q96.2Very high87.2Confident45 Ų4561.2 Ų61.221%0.2132%0.316CS..Hα-helixtrans-62.9-41.9173.1-67.8-54.7-57.600112.4P124 P156 W176 L177 Q178 Q182 T183 V184P124-Q180 HydrophobicContact CB-CB 3.77Å; P124-Q180 HydrophobicContact CB-CG 4.38Å; P124-Q180 HydrophobicContact CG-CB 4.11Å; P156-Q180 VanDerWaalsContact CB-OE1 3.29Å; W176-Q180 HydrophobicContact CD2-CG 3.91Å; W176-Q180 VanDerWaalsContact CE2-CG 3.44Å; W176-Q180 HydrophobicContact CE3-CG 4.27Å; W176-Q180 HydrophobicContact CH2-CG 3.8Å; W176-Q180 HydrophobicContact CZ2-CG 3.41Å; W176-Q180 VanDerWaalsContact CZ2-CG 3.41Å; W176-Q180 HydrophobicContact CZ3-CG 4.22Å; W176-Q180 WeakPolarHBondContact O-CG 3.23Å; W176-Q180 PolarHBondContact O-N 3.33Å; L177-Q180 PolarHBondContact O-N 3.08Å; Q178-Q180 PolarHBondContact O-N 3.43Å; Q180-Q182 VanDerWaalsContact C-N 3.27Å; Q180-Q182 PolarHBondContact O-N 3.28Å; Q180-T183 WeakPolarHBondContact CA-OG1 3.4Å; Q180-T183 PolarHBondContact O-N 2.81Å; Q180-T183 PolarHBondContact O-OG1 2.86Å; Q180-V184 VanDerWaalsContact O-CG2 3.3Å; Q180-V184 WeakPolarHBondContact O-CG2 3.27Å; Q180-V184 PolarHBondContact O-N 3.46Å
181I93.5Very high86.5Confident11 Ų1164.8 Ų64.86%0.05633%0.334CS..Hα-helixtrans-67.6-29.8179.2-67.6157.3000111.9V18 L63 F65 A89 P124 L177 Q178 D179V18-I181 HydrophobicContact CG1-CD1 3.95Å; V18-I181 HydrophobicContact CG1-CG2 4.16Å; V18-I181 HydrophobicContact CG2-CG2 3.89Å; L63-I181 HydrophobicContact CD1-CB 4.16Å; L63-I181 HydrophobicContact CD1-CD1 4.19Å; L63-I181 HydrophobicContact CD1-CG2 4.1Å; F65-I181 HydrophobicContact CE1-CD1 3.93Å; F65-I181 HydrophobicContact CZ-CD1 4.46Å; A89-I181 HydrophobicContact CB-CD1 4.1Å; A89-I181 HydrophobicContact CB-CG1 4.32Å; P124-I181 HydrophobicContact CG-CG1 3.92Å; L177-I181 HydrophobicContact CD1-CD1 4.32Å; L177-I181 HydrophobicContact CG-CD1 3.87Å; L177-I181 WeakPolarHBondContact O-CD1 3.02Å; L177-I181 VanDerWaalsContact O-CG1 3.25Å; L177-I181 WeakPolarHBondContact O-CG1 3.02Å; L177-I181 PolarHBondContact O-N 2.66Å; Q178-I181 PolarHBondContact O-N 3.26Å; D179-I181 PolarHBondContact O-N 3.37Å
182Q88Confident85.8Confident82 Ų8262.3 Ų62.338%0.38333%0.325SS..Hα-helixtrans-77.6-37.2178.1-73.5-177.1-6.200112.7Q178 D179 Q180 V184 K185Q178-Q182 VanDerWaalsContact O-CG 3.32Å; Q178-Q182 WeakPolarHBondContact O-CG 3.47Å; Q178-Q182 PolarHBondContact O-N 3.38Å; D179-Q182 PolarHBondContact O-N 3.14Å; Q180-Q182 VanDerWaalsContact C-N 3.27Å; Q180-Q182 PolarHBondContact O-N 3.28Å; Q182-V184 VanDerWaalsContact C-N 3.33Å; Q182-V184 PolarHBondContact O-N 3.43Å; Q182-K185 PolarHBondContact O-N 2.71Å
183T81.1Confident84.9Confident80 Ų8058 Ų5849%0.49131%0.307SS..Hα-helixtrans-70.5-23.6-179.946.50000113.9D179 Q180 K185 T186D179-T183 WeakPolarHBondContact O-CG2 3.49Å; D179-T183 PolarHBondContact O-N 2.83Å; D179-T183 PolarHBondContact O-OG1 3.37Å; Q180-T183 WeakPolarHBondContact CA-OG1 3.4Å; Q180-T183 PolarHBondContact O-N 2.81Å; Q180-T183 PolarHBondContact O-OG1 2.86Å; T183-K185 PolarHBondContact O-N 3.07Å; T183-T186 PolarHBondContact O-OG1 3.24Å
184V63.7Low83.9Confident71 Ų7162.5 Ų62.543%0.4333%0.331SS..THydrogen-bonded Turntrans-67.25.9176175.50000113.2Q180 Q182Q180-V184 VanDerWaalsContact O-CG2 3.3Å; Q180-V184 WeakPolarHBondContact O-CG2 3.27Å; Q180-V184 PolarHBondContact O-N 3.46Å; Q182-V184 VanDerWaalsContact C-N 3.33Å; Q182-V184 PolarHBondContact O-N 3.43Å
185K49Very low82.7Confident142 Ų14267.6 Ų67.662%0.61736%0.358SS*.THydrogen-bonded Turntrans-99.92179.9-79-173163.8-172.50116.2Q182 T183Q182-K185 PolarHBondContact O-N 2.71Å; T183-K185 PolarHBondContact O-N 3.07Å
186T35.2Very low81.3Confident191 Ų19169 Ų69100%1.17237%0.365SS*.  trans-108.80168.8400000110.4T183T183-T186 PolarHBondContact O-OG1 3.24Å

Retrieved 186 of 186 residues in 1695.2 ms (Link to these results)

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