A0A078BS67_CAEEL Loading...

Methyltransferase FkbM domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BS67, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 163 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
1M73.3Confident93.1Very high71 Ų7142.3 Ų42.335%0.3521%0.212SC..  0123.70-177.6152.568.100110.1I19 T23 C27 E76 I77M1-I19 HydrophobicContact CE-CB 4.36Å; M1-I19 HydrophobicContact CE-CD1 4.16Å; M1-I19 HydrophobicContact CE-CG2 3.18Å; M1-I19 HydrophobicContact SD-CG2 4.4Å; M1-T23 HydrophobicContact CE-CG2 3.65Å; M1-C27 WeakPolarHBondContact CE-SG 3.48Å; M1-C27 VanDerWaalsContact CG-SG 3.57Å; M1-C27 PolarHBondContact O-SG 3.18Å; M1-E76 WeakPolarHBondContact CA-OE2 3.19Å; M1-E76 HydrophobicContact CB-CB 4.22Å; M1-E76 HydrophobicContact CB-CG 3.92Å; M1-E76 HydrophobicContact CG-CB 3.5Å; M1-E76 HydrophobicContact CG-CG 3.68Å; M1-E76 HydrophobicContact SD-CB 3.91Å; M1-E76 HydrophobicContact SD-CG 3.9Å; M1-I77 HydrophobicContact CE-CD1 4.44Å; M1-I77 HydrophobicContact SD-CD1 3.57Å; M1-I77 VanDerWaalsContact SD-CD1 3.57Å; M1-I77 HydrophobicContact SD-CG1 3.87Å
2R85.9Confident93.3Very high181 Ų18148.5 Ų48.568%0.68324%0.24SC*.  trans-103.8-48.9-179.2-73.7-175.7172.9-179-3.8113.3N28 E74R2-N28 PolarHBondContact O-N 2.91Å; R2-E74 WeakPolarHBondContact CD-OE1 3.49Å; R2-E74 IonicContact NH1-OE1 3.87Å
3S95.9Very high93.6Very high9 Ų945.1 Ų45.16%0.06322%0.223CC..EExtended strand (participates in β ladder)trans-134.1144.3178.7-550000111.3N28 S72 E74 E76S3-N28 VanDerWaalsContact CA-O 3.28Å; S3-N28 WeakPolarHBondContact CA-O 3.39Å; S3-S72 PolarHBondContact OG-OG 3.36Å; S3-E74 WeakPolarHBondContact CB-O 3.39Å; S3-E76 WeakPolarHBondContact O-CB 3.48Å; S3-E76 PolarHBondContact O-N 2.94Å
4M97.1Very high93.9Very high0 Ų050 Ų500%025%0.245CC..EExtended strand (participates in β ladder)trans-124.3134.9170.2172178.7157.500108.8F15 D16 I19 N28 I29 I30 I77 K79M4-F15 HydrophobicContact CE-CD1 3.5Å; M4-F15 VanDerWaalsContact CE-CD1 3.5Å; M4-F15 HydrophobicContact CE-CE1 3.67Å; M4-F15 HydrophobicContact SD-CD1 3.91Å; M4-F15 HydrophobicContact SD-CE1 3.7Å; M4-D16 WeakPolarHBondContact CE-OD1 3.42Å; M4-I19 HydrophobicContact SD-CB 4.16Å; M4-I19 HydrophobicContact SD-CG1 3.98Å; M4-I19 HydrophobicContact SD-CG2 3.92Å; M4-N28 PolarHBondContact N-O 3.37Å; M4-I29 HydrophobicContact CB-CD1 3.92Å; M4-I30 PolarHBondContact O-N 2.84Å; M4-I77 WeakPolarHBondContact CA-O 3.33Å; M4-I77 HydrophobicContact CG-CB 4.16Å; M4-I77 HydrophobicContact CG-CG2 4.47Å; M4-K79 HydrophobicContact CE-CB 4.36Å
5M97.8Very high94.1Very high0 Ų051.7 Ų51.70%025%0.251CS..EExtended strand (participates in β ladder)trans-109.3131.2171.3-67.3-175.374.300109.6L7 I30 M66 M67 V75 I77 L78 K79 F93M5-L7 HydrophobicContact CE-CD2 4.29Å; M5-I30 CarbonylContact C-O 3.55Å; M5-I30 VanDerWaalsContact CA-O 3.31Å; M5-I30 WeakPolarHBondContact CA-O 3.4Å; M5-I30 HydrophobicContact CE-CG2 4.42Å; M5-I30 HydrophobicContact CG-CB 4.09Å; M5-I30 HydrophobicContact CG-CD1 3.92Å; M5-I30 HydrophobicContact CG-CG2 4.4Å; M5-M66 HydrophobicContact CE-CB 4.07Å; M5-M66 HydrophobicContact CE-CE 3.63Å; M5-M66 HydrophobicContact CE-SD 4.15Å; M5-M67 HydrophobicContact CE-SD 4.42Å; M5-M67 HydrophobicContact SD-CG 4.49Å; M5-M67 HydrophobicContact SD-SD 3.48Å; M5-V75 HydrophobicContact CB-CG1 4.18Å; M5-V75 HydrophobicContact CG-CG1 4Å; M5-V75 HydrophobicContact CG-CG2 4Å; M5-V75 HydrophobicContact SD-CG1 4.43Å; M5-V75 HydrophobicContact SD-CG2 3.56Å; M5-V75 VanDerWaalsContact SD-CG2 3.56Å; M5-I77 PolarHBondContact N-O 3.39Å; M5-L78 HydrophobicContact CB-CD1 3.76Å; M5-L78 HydrophobicContact SD-CD1 4.45Å; M5-K79 PolarHBondContact O-N 2.88Å; M5-F93 HydrophobicContact CE-CZ 4.47Å; M5-F93 HydrophobicContact SD-CE1 4.39Å; M5-F93 HydrophobicContact SD-CZ 3.76Å
6S97.3Very high94.3Very high0 Ų048.4 Ų48.40%024%0.235CC..EExtended strand (participates in β ladder)trans-128.8105.7179.9-160.70000109L9 D16 I30 G31 A32 K79S6-L9 WeakPolarHBondContact O-CD2 3.32Å; S6-L9 VanDerWaalsContact OG-CD2 3.32Å; S6-L9 WeakPolarHBondContact OG-CD2 3.47Å; S6-D16 WeakPolarHBondContact CB-OD1 3.45Å; S6-D16 WeakPolarHBondContact CB-OD2 3.43Å; S6-D16 PolarHBondContact OG-OD1 2.89Å; S6-D16 PolarHBondContact OG-OD2 3.5Å; S6-I30 PolarHBondContact N-O 2.94Å; S6-G31 CarbonylContact O-C 3.58Å; S6-G31 WeakPolarHBondContact O-CA 3.36Å; S6-A32 PolarHBondContact O-N 3.3Å; S6-K79 WeakPolarHBondContact CA-O 3.29Å
7L95.5Very high94.5Very high8 Ų848.7 Ų48.74%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-115.2138.7-172.2-49.4-178.9000110.1M5 A32 L63 M66 L78 K79 I80 D81M5-L7 HydrophobicContact CE-CD2 4.29Å; L7-A32 WeakPolarHBondContact CA-O 3.22Å; L7-A32 HydrophobicContact CD2-CB 3.63Å; L7-L63 HydrophobicContact CD1-CD2 3.42Å; L7-L63 VanDerWaalsContact CD1-CD2 3.42Å; L7-M66 HydrophobicContact CD1-CE 4.32Å; L7-M66 HydrophobicContact CD2-CE 3.69Å; L7-M66 HydrophobicContact CD2-SD 3.97Å; L7-L78 HydrophobicContact CD1-CD1 4.09Å; L7-L78 HydrophobicContact CG-CD1 4.5Å; L7-K79 PolarHBondContact N-O 3.2Å; L7-I80 HydrophobicContact CB-CB 4.28Å; L7-I80 HydrophobicContact CB-CG1 4.01Å; L7-I80 HydrophobicContact CD1-CB 4.37Å; L7-I80 HydrophobicContact CD1-CD1 3.89Å; L7-I80 HydrophobicContact CD1-CG1 4.01Å; L7-D81 PolarHBondContact O-N 3.19Å
8G93.8Very high94.6Very high30 Ų3053.2 Ų53.231%0.30926%0.256SS..SBendtrans75.853.9-168.700000110.3A32G8-A32 PolarHBondContact N-O 2.83Å
9L95.2Very high94.7Very high0 Ų051.4 Ų51.40%025%0.248CC..  trans-67.6-47.5-175.4-70.4-178.5000112.8S6 D11 Q12 I13 A32 D33 Q37 Y45 L52S6-L9 WeakPolarHBondContact O-CD2 3.32Å; S6-L9 VanDerWaalsContact OG-CD2 3.32Å; S6-L9 WeakPolarHBondContact OG-CD2 3.47Å; L9-D11 PolarHBondContact O-N 3.36Å; L9-D11 VanDerWaalsContact O-N 3.11Å; L9-Q12 WeakPolarHBondContact O-CA 3.33Å; L9-Q12 VanDerWaalsContact O-CB 3.29Å; L9-Q12 WeakPolarHBondContact O-CB 3.45Å; L9-Q12 PolarHBondContact O-N 3.13Å; L9-I13 HydrophobicContact CD1-CG2 4.46Å; L9-I13 HydrophobicContact CD2-CG2 4.24Å; L9-A32 PolarHBondContact N-O 2.95Å; L9-D33 HydrophobicContact CB-CB 4.26Å; L9-D33 PolarHBondContact N-OD2 3.31Å; L9-Q37 VanDerWaalsContact CB-OE1 3.3Å; L9-Q37 HydrophobicContact CD1-CG 4.27Å; L9-Y45 HydrophobicContact CD1-CE2 4.18Å; L9-L52 HydrophobicContact CD1-CD2 3.5Å; L9-L52 VanDerWaalsContact CD1-CD2 3.5Å
10N94.9Very high94.7Very high111 Ų11148.9 Ų48.959%0.59424%0.236SC*.THydrogen-bonded Turntrans42.945-174.7-16727.6000114.3Q12 D33N10-Q12 PolarHBondContact O-N 3.16Å; N10-Q12 VanDerWaalsContact O-N 3.16Å; N10-D33 PolarHBondContact N-OD2 2.98Å
11D97.4Very high94.8Very high55 Ų5549.8 Ų49.829%0.29425%0.248SC..THydrogen-bonded Turntrans62.49.1-174.5-67.7-47.4000116.2L9 Q37 N38 T41L9-D11 PolarHBondContact O-N 3.36Å; L9-D11 VanDerWaalsContact O-N 3.11Å; D11-Q37 VanDerWaalsContact CA-OE1 3.31Å; D11-Q37 WeakPolarHBondContact OD1-CA 3.36Å; D11-Q37 WeakPolarHBondContact OD1-CB 3.44Å; D11-Q37 PolarHBondContact OD1-OE1 3.35Å; D11-N38 PolarHBondContact OD1-N 3.49Å; D11-N38 PolarHBondContact OD1-ND2 3.5Å; D11-N38 PolarHBondContact OD2-ND2 3.23Å; D11-T41 VanDerWaalsContact OD1-CB 3.27Å; D11-T41 WeakPolarHBondContact OD1-CB 3.32Å; D11-T41 PolarHBondContact OD1-OG1 3.32Å
12Q95.6Very high95.8Very high117 Ų11752.4 Ų52.455%0.54726%0.261SS..  trans-98.594.5179.4-58.5178.5-6.100111L9 N10L9-Q12 WeakPolarHBondContact O-CA 3.33Å; L9-Q12 VanDerWaalsContact O-CB 3.29Å; L9-Q12 WeakPolarHBondContact O-CB 3.45Å; L9-Q12 PolarHBondContact O-N 3.13Å; N10-Q12 PolarHBondContact O-N 3.16Å; N10-Q12 VanDerWaalsContact O-N 3.16Å
13I97.3Very high96.2Very high4 Ų444.8 Ų44.82%0.02124%0.235CC..  trans-121.612.3-170.365.7163.3000113.5L9 F15 D16 E17 T41 K44 Y45 M48L9-I13 HydrophobicContact CD1-CG2 4.46Å; L9-I13 HydrophobicContact CD2-CG2 4.24Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 3.48Å; I13-D16 HydrophobicContact CB-CB 4.5Å; I13-D16 WeakPolarHBondContact O-CB 3.48Å; I13-D16 PolarHBondContact O-N 3.27Å; I13-D16 VanDerWaalsContact O-N 3.1Å; I13-E17 HydrophobicContact CD1-CG 4.23Å; I13-E17 HydrophobicContact CG1-CG 4.33Å; I13-E17 WeakPolarHBondContact O-CG 3.36Å; I13-E17 PolarHBondContact O-N 2.8Å; I13-T41 HydrophobicContact CD1-CG2 3.97Å; I13-T41 HydrophobicContact CG1-CG2 4.39Å; I13-T41 HydrophobicContact CG2-CG2 3.64Å; I13-K44 HydrophobicContact CD1-CB 3.57Å; I13-K44 HydrophobicContact CD1-CD 3.71Å; I13-K44 HydrophobicContact CD1-CG 4.33Å; I13-Y45 HydrophobicContact CB-CD2 4.48Å; I13-Y45 HydrophobicContact CB-CE2 3.94Å; I13-Y45 HydrophobicContact CD1-CD2 3.96Å; I13-Y45 HydrophobicContact CD1-CE2 4.28Å; I13-Y45 HydrophobicContact CG2-CD2 4.14Å; I13-Y45 HydrophobicContact CG2-CE2 3.54Å; I13-M48 HydrophobicContact CD1-CE 4.18Å
14Q97.4Very high96.1Very high114 Ų11449.9 Ų49.953%0.53326%0.262SS..Hα-helixtrans-59.3-43.1-176.1-6785.1-16.900111.9D16 E17 E18Q14-D16 VanDerWaalsContact C-N 3.31Å; Q14-D16 PolarHBondContact O-N 3.33Å; Q14-E17 PolarHBondContact O-N 3.48Å; Q14-E18 WeakPolarHBondContact O-CG 3.38Å; Q14-E18 PolarHBondContact O-N 2.92Å
15F96.8Very high96Very high75 Ų7555.7 Ų55.733%0.32929%0.285SS..Hα-helixtrans-59.6-45176.1-173.5-76.4000110.7M4 I13 E17 E18 I19 I77 L103M4-F15 HydrophobicContact CE-CD1 3.5Å; M4-F15 VanDerWaalsContact CE-CD1 3.5Å; M4-F15 HydrophobicContact CE-CE1 3.67Å; M4-F15 HydrophobicContact SD-CD1 3.91Å; M4-F15 HydrophobicContact SD-CE1 3.7Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 3.48Å; F15-E17 PolarHBondContact O-N 2.78Å; F15-E18 PolarHBondContact O-N 3.3Å; F15-I19 HydrophobicContact CD1-CG1 3.68Å; F15-I19 HydrophobicContact CE1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CG1 3.4Å; F15-I19 VanDerWaalsContact CE1-CG1 3.4Å; F15-I19 HydrophobicContact CZ-CD1 4.27Å; F15-I19 HydrophobicContact CZ-CG1 4.1Å; F15-I19 WeakPolarHBondContact O-CB 3.4Å; F15-I19 WeakPolarHBondContact O-CG1 3.43Å; F15-I19 PolarHBondContact O-N 3.37Å; F15-I77 HydrophobicContact CE1-CG2 4.38Å; F15-L103 HydrophobicContact CE1-CD1 4.45Å; F15-L103 HydrophobicContact CE2-CD1 3.89Å; F15-L103 HydrophobicContact CZ-CD1 3.6Å
16D97.6Very high95.8Very high0 Ų064.2 Ų64.20%032%0.317CS..Hα-helixtrans-63.3-42.8-179.4-49.20.8000111M4 S6 I13 Q14 Q20 I29 Y45 M48M4-D16 WeakPolarHBondContact CE-OD1 3.42Å; S6-D16 WeakPolarHBondContact CB-OD1 3.45Å; S6-D16 WeakPolarHBondContact CB-OD2 3.43Å; S6-D16 PolarHBondContact OG-OD1 2.89Å; S6-D16 PolarHBondContact OG-OD2 3.5Å; I13-D16 HydrophobicContact CB-CB 4.5Å; I13-D16 WeakPolarHBondContact O-CB 3.48Å; I13-D16 PolarHBondContact O-N 3.27Å; I13-D16 VanDerWaalsContact O-N 3.1Å; Q14-D16 VanDerWaalsContact C-N 3.31Å; Q14-D16 PolarHBondContact O-N 3.33Å; D16-Q20 WeakPolarHBondContact O-CB 3.17Å; D16-Q20 PolarHBondContact O-N 2.97Å; D16-I29 HydrophobicContact CB-CG2 4.19Å; D16-Y45 PolarHBondContact OD2-OH 3.37Å; D16-M48 HydrophobicContact CB-CE 4.43Å
17E97.6Very high95.6Very high53 Ų5364.5 Ų64.525%0.24832%0.319CS..Hα-helixtrans-61-47175-72.4-175.9110.800112I13 Q14 F15 Q20 S21 K44 M48I13-E17 HydrophobicContact CD1-CG 4.23Å; I13-E17 HydrophobicContact CG1-CG 4.33Å; I13-E17 WeakPolarHBondContact O-CG 3.36Å; I13-E17 PolarHBondContact O-N 2.8Å; Q14-E17 PolarHBondContact O-N 3.48Å; F15-E17 PolarHBondContact O-N 2.78Å; E17-Q20 PolarHBondContact O-N 3.36Å; E17-S21 WeakPolarHBondContact O-CB 3.46Å; E17-S21 PolarHBondContact O-N 3.18Å; E17-K44 VanDerWaalsContact CD-NZ 3.27Å; E17-K44 VanDerWaalsContact OE1-CD 3.22Å; E17-K44 WeakPolarHBondContact OE1-CD 3.03Å; E17-K44 WeakPolarHBondContact OE1-CE 2.87Å; E17-K44 IonicContact OE1-NZ 2.92Å; E17-K44 PolarHBondContact OE1-NZ 2.83Å; E17-K44 IonicContact OE2-NZ 2.79Å; E17-K44 PolarHBondContact OE2-NZ 2.99Å; E17-M48 WeakPolarHBondContact CA-SD 3.38Å; E17-M48 HydrophobicContact CB-SD 4.13Å; E17-M48 HydrophobicContact CG-CE 3.98Å; E17-M48 HydrophobicContact CG-SD 3.68Å
18E97.1Very high95.7Very high129 Ų12965.9 Ų65.960%0.60333%0.326SS*.Hα-helixtrans-64.8-46.2178.9-74.6179.7-162.900111.5Q14 F15 Q20 S21 I22Q14-E18 WeakPolarHBondContact O-CG 3.38Å; Q14-E18 PolarHBondContact O-N 2.92Å; F15-E18 PolarHBondContact O-N 3.3Å; E18-Q20 VanDerWaalsContact C-N 3.29Å; E18-Q20 PolarHBondContact O-N 2.9Å; E18-S21 WeakPolarHBondContact O-CB 3.36Å; E18-S21 PolarHBondContact O-N 3.19Å; E18-I22 WeakPolarHBondContact O-CG1 3.18Å; E18-I22 WeakPolarHBondContact O-CG2 3.3Å; E18-I22 PolarHBondContact O-N 2.97Å
19I96Very high95.8Very high19 Ų1964.5 Ų64.510%0.09731%0.311CS..Hα-helixtrans-56-46.3175.1-78.1-52000111.1M1 M4 F15 S21 I22 T23 I29 I77M1-I19 HydrophobicContact CE-CB 4.36Å; M1-I19 HydrophobicContact CE-CD1 4.16Å; M1-I19 HydrophobicContact CE-CG2 3.18Å; M1-I19 HydrophobicContact SD-CG2 4.4Å; M4-I19 HydrophobicContact SD-CB 4.16Å; M4-I19 HydrophobicContact SD-CG1 3.98Å; M4-I19 HydrophobicContact SD-CG2 3.92Å; F15-I19 HydrophobicContact CD1-CG1 3.68Å; F15-I19 HydrophobicContact CE1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CG1 3.4Å; F15-I19 VanDerWaalsContact CE1-CG1 3.4Å; F15-I19 HydrophobicContact CZ-CD1 4.27Å; F15-I19 HydrophobicContact CZ-CG1 4.1Å; F15-I19 WeakPolarHBondContact O-CB 3.4Å; F15-I19 WeakPolarHBondContact O-CG1 3.43Å; F15-I19 PolarHBondContact O-N 3.37Å; I19-S21 VanDerWaalsContact C-N 3.32Å; I19-S21 PolarHBondContact O-N 2.94Å; I19-I22 HydrophobicContact CD1-CD1 3.94Å; I19-I22 WeakPolarHBondContact O-CG1 3.46Å; I19-T23 WeakPolarHBondContact O-CB 3.48Å; I19-T23 WeakPolarHBondContact O-CG2 3.28Å; I19-T23 PolarHBondContact O-N 3.42Å; I19-T23 PolarHBondContact O-OG1 3.36Å; I19-I29 HydrophobicContact CG2-CD1 4.14Å; I19-I77 HydrophobicContact CD1-CD1 4.31Å
20Q95.1Very high96Very high1 Ų164.5 Ų64.51%0.00531%0.311CS..Hα-helixtrans-68.3-37-178.5-167.666.1-36.600111.6D16 E17 E18 T23 D24 Y25 C27 I29 M48D16-Q20 WeakPolarHBondContact O-CB 3.17Å; D16-Q20 PolarHBondContact O-N 2.97Å; E17-Q20 PolarHBondContact O-N 3.36Å; E18-Q20 VanDerWaalsContact C-N 3.29Å; E18-Q20 PolarHBondContact O-N 2.9Å; Q20-T23 PolarHBondContact O-N 2.95Å; Q20-T23 PolarHBondContact O-OG1 2.65Å; Q20-D24 PolarHBondContact O-N 3.43Å; Q20-Y25 VanDerWaalsContact CD-CA 3.5Å; Q20-Y25 HydrophobicContact CG-CD1 3.46Å; Q20-Y25 VanDerWaalsContact CG-CD1 3.46Å; Q20-Y25 HydrophobicContact CG-CE1 3.95Å; Q20-Y25 HydrophobicContact CG-CG 3.89Å; Q20-Y25 WeakPolarHBondContact O-CA 3.32Å; Q20-Y25 PolarHBondContact O-N 3.46Å; Q20-C27 PolarHBondContact NE2-O 3.17Å; Q20-C27 VanDerWaalsContact OE1-CB 3.29Å; Q20-C27 VanDerWaalsContact OE1-N 3.09Å; Q20-C27 PolarHBondContact OE1-O 3.27Å; Q20-I29 HydrophobicContact CB-CG1 4.42Å; Q20-I29 HydrophobicContact CG-CG1 4.5Å; Q20-M48 HydrophobicContact CB-CG 4.3Å; Q20-M48 HydrophobicContact CB-SD 4.05Å; Q20-M48 HydrophobicContact CG-CB 4.05Å; Q20-M48 HydrophobicContact CG-CG 4.13Å; Q20-M48 HydrophobicContact CG-SD 4.49Å; Q20-M48 PolarHBondContact NE2-O 3Å
21S95.4Very high96.1Very high69 Ų6959.2 Ų59.248%0.48328%0.283SS..Hα-helixtrans-61.7-52.3174.7-176.40000112.4E17 E18 I19 T23 D24E17-S21 WeakPolarHBondContact O-CB 3.46Å; E17-S21 PolarHBondContact O-N 3.18Å; E18-S21 WeakPolarHBondContact O-CB 3.36Å; E18-S21 PolarHBondContact O-N 3.19Å; I19-S21 VanDerWaalsContact C-N 3.32Å; I19-S21 PolarHBondContact O-N 2.94Å; S21-T23 PolarHBondContact O-N 3Å; S21-T23 VanDerWaalsContact O-N 3.16Å; S21-D24 PolarHBondContact O-N 3.09Å
22I95.6Very high96Very high125 Ų12556.7 Ų56.764%0.64127%0.27SS*.Hα-helixtrans-69.2-15.2-17767.8174.8000113.6E18 I19E18-I22 WeakPolarHBondContact O-CG1 3.18Å; E18-I22 WeakPolarHBondContact O-CG2 3.3Å; E18-I22 PolarHBondContact O-N 2.97Å; I19-I22 HydrophobicContact CD1-CD1 3.94Å; I19-I22 WeakPolarHBondContact O-CG1 3.46Å
23T94.3Very high96Very high21 Ų2151.9 Ų51.913%0.12925%0.248CC..THydrogen-bonded Turntrans-10212.3178.859.20000113.5M1 I19 Q20 S21 Y25 R26 C27M1-T23 HydrophobicContact CE-CG2 3.65Å; I19-T23 WeakPolarHBondContact O-CB 3.48Å; I19-T23 WeakPolarHBondContact O-CG2 3.28Å; I19-T23 PolarHBondContact O-N 3.42Å; I19-T23 PolarHBondContact O-OG1 3.36Å; Q20-T23 PolarHBondContact O-N 2.95Å; Q20-T23 PolarHBondContact O-OG1 2.65Å; S21-T23 PolarHBondContact O-N 3Å; S21-T23 VanDerWaalsContact O-N 3.16Å; T23-Y25 PolarHBondContact O-N 3.12Å; T23-R26 WeakPolarHBondContact O-CB 3.36Å; T23-R26 WeakPolarHBondContact O-CG 3.41Å; T23-R26 PolarHBondContact O-N 3.18Å; T23-R26 PolarHBondContact O-NE 2.86Å; T23-C27 PolarHBondContact OG1-SG 3.29Å
24D94.4Very high95.8Very high116 Ų11656.5 Ų56.562%0.6227%0.271SS*.THydrogen-bonded Turntrans57.236.9-177.5-45.9-64.2000112.5Q20 S21 R26Q20-D24 PolarHBondContact O-N 3.43Å; S21-D24 PolarHBondContact O-N 3.09Å; D24-R26 VanDerWaalsContact C-N 3.27Å; D24-R26 PolarHBondContact O-N 3.22Å; D24-R26 IonicContact OD2-CZ 3.89Å; D24-R26 IonicContact OD2-NE 3.83Å; D24-R26 IonicContact OD2-NH2 3.18Å; D24-R26 PolarHBondContact OD2-NH2 3.23Å
25Y94.1Very high95.7Very high123 Ų12353.5 Ų53.548%0.48227%0.265SS..THydrogen-bonded Turntrans58.734.7-179.7-66.3-104.8000114.1Q20 T23 M48Q20-Y25 VanDerWaalsContact CD-CA 3.5Å; Q20-Y25 HydrophobicContact CG-CD1 3.46Å; Q20-Y25 VanDerWaalsContact CG-CD1 3.46Å; Q20-Y25 HydrophobicContact CG-CE1 3.95Å; Q20-Y25 HydrophobicContact CG-CG 3.89Å; Q20-Y25 WeakPolarHBondContact O-CA 3.32Å; Q20-Y25 PolarHBondContact O-N 3.46Å; T23-Y25 PolarHBondContact O-N 3.12Å; Y25-M48 HydrophobicContact CE1-CG 4.37Å
26R93.1Very high95.8Very high179 Ų17958.6 Ų58.668%0.67528%0.283SS*.  trans-99.3-8.6-178.3-67-177.7-70.5156.9-11.2114.2T23 D24T23-R26 WeakPolarHBondContact O-CB 3.36Å; T23-R26 WeakPolarHBondContact O-CG 3.41Å; T23-R26 PolarHBondContact O-N 3.18Å; T23-R26 PolarHBondContact O-NE 2.86Å; D24-R26 VanDerWaalsContact C-N 3.27Å; D24-R26 PolarHBondContact O-N 3.22Å; D24-R26 IonicContact OD2-CZ 3.89Å; D24-R26 IonicContact OD2-NE 3.83Å; D24-R26 IonicContact OD2-NH2 3.18Å; D24-R26 PolarHBondContact OD2-NH2 3.23Å
27C94.2Very high95.8Very high6 Ų659.1 Ų59.14%0.04129%0.285CS..SBendtrans-84.9143.4179.7-62.60000111.2M1 Q20 T23 I29M1-C27 WeakPolarHBondContact CE-SG 3.48Å; M1-C27 VanDerWaalsContact CG-SG 3.57Å; M1-C27 PolarHBondContact O-SG 3.18Å; Q20-C27 PolarHBondContact NE2-O 3.17Å; Q20-C27 VanDerWaalsContact OE1-CB 3.29Å; Q20-C27 VanDerWaalsContact OE1-N 3.09Å; Q20-C27 PolarHBondContact OE1-O 3.27Å; T23-C27 PolarHBondContact OG1-SG 3.29Å; C27-I29 HydrophobicContact CB-CD1 3.79Å; C27-I29 PolarHBondContact O-N 3.07Å
28N95.8Very high95.8Very high37 Ų3759.8 Ų59.820%0.19829%0.29CS..EExtended strand (participates in β ladder)trans-82106.9165.3-170.221.3000108.3R2 S3 M4 Q51 S70 S72R2-N28 PolarHBondContact O-N 2.91Å; S3-N28 VanDerWaalsContact CA-O 3.28Å; S3-N28 WeakPolarHBondContact CA-O 3.39Å; M4-N28 PolarHBondContact N-O 3.37Å; N28-Q51 PolarHBondContact OD1-NE2 2.98Å; N28-S70 PolarHBondContact ND2-O 2.81Å; N28-S72 PolarHBondContact ND2-OG 3.21Å
29I97.3Very high95.9Very high0 Ų057.3 Ų57.30%029%0.292CS..EExtended strand (participates in β ladder)trans-94.1122.9-178.6-53.5-57.8000109.1M4 D16 I19 Q20 C27 Y45 G50 Q51M4-I29 HydrophobicContact CB-CD1 3.92Å; D16-I29 HydrophobicContact CB-CG2 4.19Å; I19-I29 HydrophobicContact CG2-CD1 4.14Å; Q20-I29 HydrophobicContact CB-CG1 4.42Å; Q20-I29 HydrophobicContact CG-CG1 4.5Å; C27-I29 HydrophobicContact CB-CD1 3.79Å; C27-I29 PolarHBondContact O-N 3.07Å; I29-Y45 HydrophobicContact CG2-CE1 3.86Å; I29-G50 CarbonylContact O-C 3.45Å; I29-G50 WeakPolarHBondContact O-CA 3.48Å; I29-Q51 PolarHBondContact O-N 2.89Å
30I98Very high96Very high0 Ų060.4 Ų60.40%031%0.311CS..EExtended strand (participates in β ladder)trans-118.1107.4-178.6-56.3160.4000107.5M4 M5 S6 F53 M66 S70M4-I30 PolarHBondContact O-N 2.84Å; M5-I30 CarbonylContact C-O 3.55Å; M5-I30 VanDerWaalsContact CA-O 3.31Å; M5-I30 WeakPolarHBondContact CA-O 3.4Å; M5-I30 HydrophobicContact CE-CG2 4.42Å; M5-I30 HydrophobicContact CG-CB 4.09Å; M5-I30 HydrophobicContact CG-CD1 3.92Å; M5-I30 HydrophobicContact CG-CG2 4.4Å; S6-I30 PolarHBondContact N-O 2.94Å; I30-F53 HydrophobicContact CG2-CD2 4.02Å; I30-F53 HydrophobicContact CG2-CE2 3.83Å; I30-M66 HydrophobicContact CG2-CB 4.12Å; I30-M66 HydrophobicContact CG2-SD 4.26Å; I30-S70 WeakPolarHBondContact CD1-OG 3.27Å
31G97.4Very high96.1Very high0 Ų060.6 Ų60.60%031%0.313CS..EExtended strand (participates in β ladder)trans-104.1141.9179.700000111.5S6 Y45 Q51 L52 F53S6-G31 CarbonylContact O-C 3.58Å; S6-G31 WeakPolarHBondContact O-CA 3.36Å; G31-Y45 VanDerWaalsContact CA-OH 3.23Å; G31-Y45 WeakPolarHBondContact CA-OH 3.37Å; G31-Q51 PolarHBondContact N-O 3.09Å; G31-L52 CarbonylContact O-C 3.56Å; G31-L52 WeakPolarHBondContact O-CA 3.22Å; G31-F53 PolarHBondContact O-N 3.19Å
32A96.7Very high96.3Very high3 Ų360.2 Ų60.23%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-148150.6170.600000113.5S6 L7 G8 L9 F53 L61 M66S6-A32 PolarHBondContact O-N 3.3Å; L7-A32 WeakPolarHBondContact CA-O 3.22Å; L7-A32 HydrophobicContact CD2-CB 3.63Å; G8-A32 PolarHBondContact N-O 2.83Å; L9-A32 PolarHBondContact N-O 2.95Å; A32-F53 WeakPolarHBondContact CA-O 3.5Å; A32-F53 HydrophobicContact CB-CB 3.96Å; A32-L61 HydrophobicContact CB-CD2 3.69Å; A32-M66 HydrophobicContact CB-CE 4.49Å; A32-M66 HydrophobicContact CB-SD 3.63Å
33D95.7Very high96.4Very high15 Ų1559.3 Ų59.38%0.0830%0.296CS..EExtended strand (participates in β ladder)trans-151.9160.5176-163.9-90.5000110.7L9 N10 A35 F53 V54 G55L9-D33 HydrophobicContact CB-CB 4.26Å; L9-D33 PolarHBondContact N-OD2 3.31Å; N10-D33 PolarHBondContact N-OD2 2.98Å; D33-A35 PolarHBondContact O-N 3.25Å; D33-A35 PolarHBondContact OD1-N 3.45Å; D33-F53 PolarHBondContact N-O 3.34Å; D33-V54 CarbonylContact O-C 3.39Å; D33-V54 WeakPolarHBondContact O-CA 3.29Å; D33-G55 PolarHBondContact O-N 2.95Å
34M93.2Very high96.6Very high102 Ų10261.8 Ų61.850%0.50231%0.305SS..SBendtrans-64.1-33.5172.866.4171.574.100112V54 N56M34-V54 WeakPolarHBondContact O-CG1 3.16Å; M34-N56 WeakPolarHBondContact CB-OD1 3.08Å
35A94.9Very high96.7Very high50 Ų5056.3 Ų56.341%0.41328%0.276SS..SBendtrans-105149.6-177.600000111.5D33 Q37D33-A35 PolarHBondContact O-N 3.25Å; D33-A35 PolarHBondContact OD1-N 3.45Å; A35-Q37 PolarHBondContact O-N 3.43Å; A35-Q37 PolarHBondContact O-NE2 3.1Å
36R97.5Very high96.8Very high183 Ų18353.8 Ų53.869%0.69128%0.281SS*.PPolyproline II helixtrans-65.6125.6171.6-174.6178.2-178.6174.41.4109.3V54R36-V54 HydrophobicContact CB-CG2 4.34Å
37Q98.1Very high97Very high11 Ų1151.7 Ų51.75%0.05128%0.277CS..PPolyproline II helixtrans-63.1153.3177.1-55.3-56.4-80.300111.6L9 D11 A35 T41 Q42 L52L9-Q37 VanDerWaalsContact CB-OE1 3.3Å; L9-Q37 HydrophobicContact CD1-CG 4.27Å; D11-Q37 VanDerWaalsContact CA-OE1 3.31Å; D11-Q37 WeakPolarHBondContact OD1-CA 3.36Å; D11-Q37 WeakPolarHBondContact OD1-CB 3.44Å; D11-Q37 PolarHBondContact OD1-OE1 3.35Å; A35-Q37 PolarHBondContact O-N 3.43Å; A35-Q37 PolarHBondContact O-NE2 3.1Å; Q37-T41 HydrophobicContact CB-CG2 3.77Å; Q37-T41 HydrophobicContact CG-CG2 4.1Å; Q37-Q42 HydrophobicContact CB-CG 4.43Å; Q37-Q42 PolarHBondContact O-NE2 3.32Å; Q37-L52 HydrophobicContact CB-CD1 4.44Å; Q37-L52 HydrophobicContact CG-CD1 4.39Å; Q37-L52 HydrophobicContact CG-CD2 4.19Å
38N98.3Very high97.1Very high66 Ų6651.7 Ų51.735%0.35328%0.276SS..PPolyproline II helixtrans-66.8170.6178.975.450.5000112.4D11 T40 T41 Q42D11-N38 PolarHBondContact OD1-N 3.49Å; D11-N38 PolarHBondContact OD1-ND2 3.5Å; D11-N38 PolarHBondContact OD2-ND2 3.23Å; N38-T40 VanDerWaalsContact C-N 3.33Å; N38-T40 PolarHBondContact O-N 2.84Å; N38-T40 WeakPolarHBondContact OD1-CA 3.34Å; N38-T40 WeakPolarHBondContact OD1-CB 3.38Å; N38-T40 PolarHBondContact OD1-N 3.37Å; N38-T41 PolarHBondContact ND2-OG1 2.97Å; N38-T41 PolarHBondContact O-N 2.93Å; N38-T41 PolarHBondContact OD1-N 2.92Å; N38-T41 PolarHBondContact OD1-OG1 2.79Å; N38-Q42 WeakPolarHBondContact O-CG 3.46Å; N38-Q42 PolarHBondContact O-N 2.92Å; N38-Q42 PolarHBondContact O-NE2 3.44Å
39A98.3Very high96.9Very high77 Ų7757.6 Ų57.664%0.63630%0.3SS*.Hα-helixtrans-62.6-38.6-175.300000112.9Q42 E43A39-Q42 PolarHBondContact O-N 2.96Å; A39-E43 WeakPolarHBondContact O-CB 3.42Å; A39-E43 PolarHBondContact O-N 2.95Å
40T98.3Very high96.9Very high84 Ų8458.3 Ų58.352%0.51531%0.307SS..Hα-helixtrans-65.3-45178.1-57.70000111.2N38 E43 K44N38-T40 VanDerWaalsContact C-N 3.33Å; N38-T40 PolarHBondContact O-N 2.84Å; N38-T40 WeakPolarHBondContact OD1-CA 3.34Å; N38-T40 WeakPolarHBondContact OD1-CB 3.38Å; N38-T40 PolarHBondContact OD1-N 3.37Å; T40-E43 PolarHBondContact O-N 3.33Å; T40-K44 HydrophobicContact CG2-CD 4.32Å; T40-K44 WeakPolarHBondContact O-CG 3.43Å; T40-K44 PolarHBondContact O-N 3.21Å
41T98.4Very high96.8Very high5 Ų561 Ų613%0.03132%0.32CS..Hα-helixtrans-61.4-45.4176.1-52.50000111.3D11 I13 Q37 N38 E43 K44 Y45D11-T41 VanDerWaalsContact OD1-CB 3.27Å; D11-T41 WeakPolarHBondContact OD1-CB 3.32Å; D11-T41 PolarHBondContact OD1-OG1 3.32Å; I13-T41 HydrophobicContact CD1-CG2 3.97Å; I13-T41 HydrophobicContact CG1-CG2 4.39Å; I13-T41 HydrophobicContact CG2-CG2 3.64Å; Q37-T41 HydrophobicContact CB-CG2 3.77Å; Q37-T41 HydrophobicContact CG-CG2 4.1Å; N38-T41 PolarHBondContact ND2-OG1 2.97Å; N38-T41 PolarHBondContact O-N 2.93Å; N38-T41 PolarHBondContact OD1-N 2.92Å; N38-T41 PolarHBondContact OD1-OG1 2.79Å; T41-E43 PolarHBondContact O-N 3.42Å; T41-K44 PolarHBondContact O-N 3.42Å; T41-Y45 HydrophobicContact CG2-CD2 4.49Å; T41-Y45 WeakPolarHBondContact O-CB 3.49Å; T41-Y45 PolarHBondContact O-N 3.15Å
42Q98.4Very high96.9Very high61 Ų6163.8 Ų63.829%0.28533%0.334SS..Hα-helixtrans-59.4-44.5175.8-75.1173.280.500111.9Q37 N38 A39 Y45 A46 L52Q37-Q42 HydrophobicContact CB-CG 4.43Å; Q37-Q42 PolarHBondContact O-NE2 3.32Å; N38-Q42 WeakPolarHBondContact O-CG 3.46Å; N38-Q42 PolarHBondContact O-N 2.92Å; N38-Q42 PolarHBondContact O-NE2 3.44Å; A39-Q42 PolarHBondContact O-N 2.96Å; Q42-Y45 PolarHBondContact O-N 3.4Å; Q42-A46 PolarHBondContact O-N 2.01Å; Q42-L52 HydrophobicContact CB-CD1 4.38Å; Q42-L52 HydrophobicContact CG-CD1 3.9Å
43E98.3Very high96.9Very high106 Ų10665.3 Ų65.350%0.49534%0.34SS..Hα-helixtrans-63.9-43.2178.3-171.1-169.916200111.8A39 T40 T41 A46 K47A39-E43 WeakPolarHBondContact O-CB 3.42Å; A39-E43 PolarHBondContact O-N 2.95Å; T40-E43 PolarHBondContact O-N 3.33Å; T41-E43 PolarHBondContact O-N 3.42Å; E43-A46 PolarHBondContact O-N 2.83Å; E43-K47 WeakPolarHBondContact O-CG 3.47Å; E43-K47 PolarHBondContact O-N 2.9Å; E43-K47 WeakPolarHBondContact OE1-CE 3.43Å; E43-K47 IonicContact OE1-NZ 2.65Å; E43-K47 PolarHBondContact OE1-NZ 2.91Å
44K97.9Very high96.9Very high73 Ų7368.5 Ų68.532%0.31736%0.36SS..Hα-helixtrans-62.8-45176.7-75.6176.8160.1-147.30111.6I13 E17 T40 T41 A46 K47 M48I13-K44 HydrophobicContact CD1-CB 3.57Å; I13-K44 HydrophobicContact CD1-CD 3.71Å; I13-K44 HydrophobicContact CD1-CG 4.33Å; E17-K44 VanDerWaalsContact CD-NZ 3.27Å; E17-K44 VanDerWaalsContact OE1-CD 3.22Å; E17-K44 WeakPolarHBondContact OE1-CD 3.03Å; E17-K44 WeakPolarHBondContact OE1-CE 2.87Å; E17-K44 IonicContact OE1-NZ 2.92Å; E17-K44 PolarHBondContact OE1-NZ 2.83Å; E17-K44 IonicContact OE2-NZ 2.79Å; E17-K44 PolarHBondContact OE2-NZ 2.99Å; T40-K44 HydrophobicContact CG2-CD 4.32Å; T40-K44 WeakPolarHBondContact O-CG 3.43Å; T40-K44 PolarHBondContact O-N 3.21Å; T41-K44 PolarHBondContact O-N 3.42Å; K44-A46 VanDerWaalsContact C-N 3.33Å; K44-A46 PolarHBondContact O-N 3.16Å; K44-K47 PolarHBondContact O-N 2.9Å; K44-M48 WeakPolarHBondContact O-CG 3.47Å; K44-M48 PolarHBondContact O-N 2.87Å
45Y97.6Very high97Very high2 Ų264 Ų641%0.00834%0.341CS..Hα-helixtrans-59.8-42.6175.1-107.8-105.5000112.2L9 I13 D16 I29 G31 T41 Q42 K47 M48 K49 G50 L52L9-Y45 HydrophobicContact CD1-CE2 4.18Å; I13-Y45 HydrophobicContact CB-CD2 4.48Å; I13-Y45 HydrophobicContact CB-CE2 3.94Å; I13-Y45 HydrophobicContact CD1-CD2 3.96Å; I13-Y45 HydrophobicContact CD1-CE2 4.28Å; I13-Y45 HydrophobicContact CG2-CD2 4.14Å; I13-Y45 HydrophobicContact CG2-CE2 3.54Å; D16-Y45 PolarHBondContact OD2-OH 3.37Å; I29-Y45 HydrophobicContact CG2-CE1 3.86Å; G31-Y45 VanDerWaalsContact CA-OH 3.23Å; G31-Y45 WeakPolarHBondContact CA-OH 3.37Å; T41-Y45 HydrophobicContact CG2-CD2 4.49Å; T41-Y45 WeakPolarHBondContact O-CB 3.49Å; T41-Y45 PolarHBondContact O-N 3.15Å; Q42-Y45 PolarHBondContact O-N 3.4Å; Y45-K47 PolarHBondContact O-N 3.27Å; Y45-M48 HydrophobicContact CD2-CE 3.62Å; Y45-M48 HydrophobicContact CE2-CE 3.9Å; Y45-M48 HydrophobicContact CG-CE 4.11Å; Y45-M48 CarbonylContact O-C 3.59Å; Y45-M48 PolarHBondContact O-N 2.86Å; Y45-K49 PolarHBondContact O-N 2.92Å; Y45-G50 PolarHBondContact O-N 2.62Å; Y45-L52 HydrophobicContact CD1-CD1 4.24Å; Y45-L52 HydrophobicContact CD1-CD2 3.45Å; Y45-L52 VanDerWaalsContact CD1-CD2 3.45Å; Y45-L52 HydrophobicContact CD1-CG 3.47Å; Y45-L52 VanDerWaalsContact CD1-CG 3.47Å; Y45-L52 HydrophobicContact CD2-CD1 4.5Å; Y45-L52 HydrophobicContact CD2-CD2 3.98Å; Y45-L52 HydrophobicContact CD2-CG 4.4Å; Y45-L52 HydrophobicContact CE1-CD2 3.5Å; Y45-L52 HydrophobicContact CE1-CG 4.03Å; Y45-L52 HydrophobicContact CE2-CD2 4.06Å; Y45-L52 HydrophobicContact CG-CD1 3.92Å; Y45-L52 HydrophobicContact CG-CD2 3.68Å; Y45-L52 HydrophobicContact CG-CG 3.66Å
46A96.6Very high96.7Very high70 Ų7065 Ų6558%0.57934%0.339SS*.Hα-helixtrans-61-42.4175.200000112.2Q42 E43 K44 M48 K49Q42-A46 PolarHBondContact O-N 2.01Å; E43-A46 PolarHBondContact O-N 2.83Å; K44-A46 VanDerWaalsContact C-N 3.33Å; K44-A46 PolarHBondContact O-N 3.16Å; A46-M48 VanDerWaalsContact C-N 3.29Å; A46-M48 PolarHBondContact O-N 2.83Å; A46-K49 PolarHBondContact O-N 3.15Å
47K96.4Very high96.3Very high135 Ų13556.8 Ų56.859%0.58731%0.309SS*.Hα-helixtrans-63.7-34.5175.6-72.6173.6-176.1168.30112.6E43 K44 Y45 K49E43-K47 WeakPolarHBondContact O-CG 3.47Å; E43-K47 PolarHBondContact O-N 2.9Å; E43-K47 WeakPolarHBondContact OE1-CE 3.43Å; E43-K47 IonicContact OE1-NZ 2.65Å; E43-K47 PolarHBondContact OE1-NZ 2.91Å; K44-K47 PolarHBondContact O-N 2.9Å; Y45-K47 PolarHBondContact O-N 3.27Å; K47-K49 PolarHBondContact O-N 3.33Å
48M95.4Very high95.8Very high6 Ų657.5 Ų57.53%0.0331%0.314CS..THydrogen-bonded Turntrans-75.3-3.8173.6-69.1-170.5-67.400113.5I13 D16 E17 Q20 Y25 K44 Y45 A46 G50I13-M48 HydrophobicContact CD1-CE 4.18Å; D16-M48 HydrophobicContact CB-CE 4.43Å; E17-M48 WeakPolarHBondContact CA-SD 3.38Å; E17-M48 HydrophobicContact CB-SD 4.13Å; E17-M48 HydrophobicContact CG-CE 3.98Å; E17-M48 HydrophobicContact CG-SD 3.68Å; Q20-M48 HydrophobicContact CB-CG 4.3Å; Q20-M48 HydrophobicContact CB-SD 4.05Å; Q20-M48 HydrophobicContact CG-CB 4.05Å; Q20-M48 HydrophobicContact CG-CG 4.13Å; Q20-M48 HydrophobicContact CG-SD 4.49Å; Q20-M48 PolarHBondContact NE2-O 3Å; Y25-M48 HydrophobicContact CE1-CG 4.37Å; K44-M48 WeakPolarHBondContact O-CG 3.47Å; K44-M48 PolarHBondContact O-N 2.87Å; Y45-M48 HydrophobicContact CD2-CE 3.62Å; Y45-M48 HydrophobicContact CE2-CE 3.9Å; Y45-M48 HydrophobicContact CG-CE 4.11Å; Y45-M48 CarbonylContact O-C 3.59Å; Y45-M48 PolarHBondContact O-N 2.86Å; A46-M48 VanDerWaalsContact C-N 3.29Å; A46-M48 PolarHBondContact O-N 2.83Å; M48-G50 PolarHBondContact O-N 3.3Å
49K93.3Very high95.3Very high160 Ų16059.3 Ų59.370%0.69632%0.324SS*.THydrogen-bonded Turntrans5629-168.4-51.9174.2-177171.50112.2Y45 A46 K47Y45-K49 PolarHBondContact O-N 2.92Å; A46-K49 PolarHBondContact O-N 3.15Å; K47-K49 PolarHBondContact O-N 3.33Å
50G95.7Very high94.9Very high15 Ų1560.7 Ų60.716%0.15533%0.325CS..  trans-82.6161.9175.600000111.9I29 Y45 M48I29-G50 CarbonylContact O-C 3.45Å; I29-G50 WeakPolarHBondContact O-CA 3.48Å; Y45-G50 PolarHBondContact O-N 2.62Å; M48-G50 PolarHBondContact O-N 3.3Å
51Q97.4Very high94.6Very high58 Ų5857.3 Ų57.327%0.27130%0.304SS..EExtended strand (participates in β ladder)trans-113.3136.7178.4-60.6175.952.100109.1N28 I29 G31 F53 D69 S70N28-Q51 PolarHBondContact OD1-NE2 2.98Å; I29-Q51 PolarHBondContact O-N 2.89Å; G31-Q51 PolarHBondContact N-O 3.09Å; Q51-F53 HydrophobicContact CB-CE2 3.78Å; Q51-F53 HydrophobicContact CB-CZ 4.44Å; Q51-D69 PolarHBondContact OE1-O 2.91Å; Q51-S70 VanDerWaalsContact OE1-CA 3.31Å
52L97.9Very high94.4Very high57 Ų5761.1 Ų61.130%0.29832%0.32SS..EExtended strand (participates in β ladder)trans-114.6127.5178.1-74.5173.7000110.4L9 G31 Q37 Q42 Y45L9-L52 HydrophobicContact CD1-CD2 3.5Å; L9-L52 VanDerWaalsContact CD1-CD2 3.5Å; G31-L52 CarbonylContact O-C 3.56Å; G31-L52 WeakPolarHBondContact O-CA 3.22Å; Q37-L52 HydrophobicContact CB-CD1 4.44Å; Q37-L52 HydrophobicContact CG-CD1 4.39Å; Q37-L52 HydrophobicContact CG-CD2 4.19Å; Q42-L52 HydrophobicContact CB-CD1 4.38Å; Q42-L52 HydrophobicContact CG-CD1 3.9Å; Y45-L52 HydrophobicContact CD1-CD1 4.24Å; Y45-L52 HydrophobicContact CD1-CD2 3.45Å; Y45-L52 VanDerWaalsContact CD1-CD2 3.45Å; Y45-L52 HydrophobicContact CD1-CG 3.47Å; Y45-L52 VanDerWaalsContact CD1-CG 3.47Å; Y45-L52 HydrophobicContact CD2-CD1 4.5Å; Y45-L52 HydrophobicContact CD2-CD2 3.98Å; Y45-L52 HydrophobicContact CD2-CG 4.4Å; Y45-L52 HydrophobicContact CE1-CD2 3.5Å; Y45-L52 HydrophobicContact CE1-CG 4.03Å; Y45-L52 HydrophobicContact CE2-CD2 4.06Å; Y45-L52 HydrophobicContact CG-CD1 3.92Å; Y45-L52 HydrophobicContact CG-CD2 3.68Å; Y45-L52 HydrophobicContact CG-CG 3.66Å
53F97.4Very high94.2Very high35 Ų3558.7 Ų58.715%0.15431%0.309CS..EExtended strand (participates in β ladder)trans-112.9149.1174.4-62.4-95.5000109.9I30 G31 A32 D33 Q51 L61 M66 D69I30-F53 HydrophobicContact CG2-CD2 4.02Å; I30-F53 HydrophobicContact CG2-CE2 3.83Å; G31-F53 PolarHBondContact O-N 3.19Å; A32-F53 WeakPolarHBondContact CA-O 3.5Å; A32-F53 HydrophobicContact CB-CB 3.96Å; D33-F53 PolarHBondContact N-O 3.34Å; Q51-F53 HydrophobicContact CB-CE2 3.78Å; Q51-F53 HydrophobicContact CB-CZ 4.44Å; F53-L61 HydrophobicContact CB-CD1 4.12Å; F53-L61 HydrophobicContact CB-CD2 3.83Å; F53-L61 HydrophobicContact CD1-CD1 4.35Å; F53-M66 HydrophobicContact CB-CG 4.31Å; F53-M66 HydrophobicContact CB-SD 4.17Å; F53-M66 HydrophobicContact CD1-CG 4.04Å; F53-M66 HydrophobicContact CD2-CG 3.96Å; F53-M66 HydrophobicContact CD2-SD 4.14Å; F53-M66 HydrophobicContact CE1-CG 4.36Å; F53-M66 HydrophobicContact CE2-CB 4.47Å; F53-M66 HydrophobicContact CE2-CG 4.31Å; F53-M66 HydrophobicContact CG-CG 3.82Å; F53-M66 HydrophobicContact CG-SD 4.17Å; F53-M66 HydrophobicContact CZ-CG 4.5Å; F53-D69 HydrophobicContact CE1-CB 3.82Å; F53-D69 HydrophobicContact CZ-CB 3.89Å
54V96.8Very high94Very high82 Ų8259.5 Ų59.550%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-125.6127.1178.6-178.20000109.4D33 M34 R36D33-V54 CarbonylContact O-C 3.39Å; D33-V54 WeakPolarHBondContact O-CA 3.29Å; M34-V54 WeakPolarHBondContact O-CG1 3.16Å; R36-V54 HydrophobicContact CB-CG2 4.34Å
55G93.4Very high93.8Very high9 Ų961.7 Ų61.79%0.09331%0.314CS..SBendtrans154.2163.2173.100000113.5D33 T60D33-G55 PolarHBondContact O-N 2.95Å; G55-T60 VanDerWaalsContact CA-OG1 3.29Å; G55-T60 WeakPolarHBondContact CA-OG1 3.5Å
56N89.9Confident93.7Very high69 Ų6961.6 Ų61.637%0.36931%0.314SS..  trans-79.7130.3177-65.8-51.6000109.7M34 P58 D59 T60 L61M34-N56 WeakPolarHBondContact CB-OD1 3.08Å; N56-P58 CarbonylContact O-C 3.5Å; N56-D59 HydrophobicContact CB-CB 4.41Å; N56-D59 CarbonylContact O-C 3.58Å; N56-D59 PolarHBondContact O-N 2.84Å; N56-T60 PolarHBondContact N-OG1 3.49Å; N56-T60 PolarHBondContact O-N 2.86Å; N56-L61 PolarHBondContact O-N 2.85Å
57V89.2Confident93.7Very high12 Ų1258.3 Ų58.37%0.07329%0.287CS..THydrogen-bonded Turntrans-92.7133.7172.9175.40000108.9L61 L63 S85 E86 A89V57-L61 WeakPolarHBondContact CA-O 3.14Å; V57-L61 HydrophobicContact CG2-CB 4.16Å; V57-L61 HydrophobicContact CG2-CD2 4.27Å; V57-L61 HydrophobicContact CG2-CG 4.24Å; V57-L63 HydrophobicContact CG1-CD1 4.48Å; V57-L63 HydrophobicContact CG1-CD2 3.86Å; V57-L63 HydrophobicContact CG1-CG 3.93Å; V57-L63 HydrophobicContact CG2-CD2 4.09Å; V57-S85 PolarHBondContact O-OG 2.92Å; V57-S85 VanDerWaalsContact O-OG 3.14Å; V57-E86 HydrophobicContact CB-CG 4.09Å; V57-E86 HydrophobicContact CG1-CG 4.28Å; V57-A89 HydrophobicContact CG1-CB 3.66Å
58P86.1Confident93.6Very high25 Ų2556.1 Ų56.116%0.16228%0.28CS..THydrogen-bonded Turncis-86.33.1-3.533.4-32.6000113.7N56 L61 K62 S85 A89N56-P58 CarbonylContact O-C 3.5Å; P58-L61 CarbonylContact C-O 3.58Å; P58-L61 WeakPolarHBondContact CA-O 3.42Å; P58-K62 WeakPolarHBondContact O-CD 3.2Å; P58-K62 WeakPolarHBondContact O-CE 3.14Å; P58-K62 PolarHBondContact O-NZ 2.93Å; P58-S85 VanDerWaalsContact CD-O 3.25Å; P58-S85 WeakPolarHBondContact CD-O 3.25Å; P58-A89 HydrophobicContact CB-CB 3.83Å; P58-A89 HydrophobicContact CG-CB 4.3Å
59D88.4Confident93.6Very high104 Ų10458.9 Ų58.956%0.55630%0.295SS*.THydrogen-bonded Turntrans-68.4-69.7-163.3-60.4-38000113.9N56N56-D59 HydrophobicContact CB-CB 4.41Å; N56-D59 CarbonylContact O-C 3.58Å; N56-D59 PolarHBondContact O-N 2.84Å
60T91.1Very high93.7Very high106 Ų10651.4 Ų51.465%0.6526%0.263SS*.THydrogen-bonded Turntrans-93.1-17.8-177.658.10000113G55 N56G55-T60 VanDerWaalsContact CA-OG1 3.29Å; G55-T60 WeakPolarHBondContact CA-OG1 3.5Å; N56-T60 PolarHBondContact N-OG1 3.49Å; N56-T60 PolarHBondContact O-N 2.86Å
61L92.1Very high93.6Very high14 Ų1459.2 Ų59.27%0.07330%0.296CS..SBendtrans-125.5129.2175.1-175.461.3000110.3A32 F53 N56 V57 P58 M66A32-L61 HydrophobicContact CB-CD2 3.69Å; F53-L61 HydrophobicContact CB-CD1 4.12Å; F53-L61 HydrophobicContact CB-CD2 3.83Å; F53-L61 HydrophobicContact CD1-CD1 4.35Å; N56-L61 PolarHBondContact O-N 2.85Å; V57-L61 WeakPolarHBondContact CA-O 3.14Å; V57-L61 HydrophobicContact CG2-CB 4.16Å; V57-L61 HydrophobicContact CG2-CD2 4.27Å; V57-L61 HydrophobicContact CG2-CG 4.24Å; P58-L61 CarbonylContact C-O 3.58Å; P58-L61 WeakPolarHBondContact CA-O 3.42Å; L61-M66 HydrophobicContact CD1-CG 3.94Å; L61-M66 HydrophobicContact CD1-SD 4.44Å; L61-M66 HydrophobicContact CD2-CE 4.2Å; L61-M66 HydrophobicContact CD2-CG 4.42Å; L61-M66 HydrophobicContact CD2-SD 3.84Å; L61-M66 HydrophobicContact CG-CE 4.33Å; L61-M66 HydrophobicContact CG-CG 4.34Å; L61-M66 HydrophobicContact CG-SD 4.28Å
62K93.4Very high93.5Very high84 Ų8456.9 Ų56.937%0.36529%0.286SS..  trans-107.1132.7178.2-54.1-70.4174.8-174.80109.7P58 Y64 R65 M66P58-K62 WeakPolarHBondContact O-CD 3.2Å; P58-K62 WeakPolarHBondContact O-CE 3.14Å; P58-K62 PolarHBondContact O-NZ 2.93Å; K62-Y64 VanDerWaalsContact C-N 3.29Å; K62-Y64 HydrophobicContact CB-CD1 3.63Å; K62-Y64 HydrophobicContact CB-CE1 3.35Å; K62-Y64 HydrophobicContact CB-CG 4.46Å; K62-Y64 HydrophobicContact CD-CE1 4.25Å; K62-Y64 HydrophobicContact CG-CD1 4.43Å; K62-Y64 HydrophobicContact CG-CE1 3.68Å; K62-Y64 PolarHBondContact O-N 3.31Å; K62-R65 HydrophobicContact CB-CB 4.17Å; K62-R65 WeakPolarHBondContact O-CB 3.31Å; K62-R65 PolarHBondContact O-N 2.53Å; K62-M66 PolarHBondContact O-N 3.46Å
63L93.8Very high93.3Very high10 Ų1063 Ų635%0.05231%0.31CS..Hα-helixtrans-55.1-42.6179.7-61.2-177.6000112.9L7 V57 R65 M66 M67 A89 F93L7-L63 HydrophobicContact CD1-CD2 3.42Å; L7-L63 VanDerWaalsContact CD1-CD2 3.42Å; V57-L63 HydrophobicContact CG1-CD1 4.48Å; V57-L63 HydrophobicContact CG1-CD2 3.86Å; V57-L63 HydrophobicContact CG1-CG 3.93Å; V57-L63 HydrophobicContact CG2-CD2 4.09Å; L63-R65 PolarHBondContact O-N 2.8Å; L63-M66 HydrophobicContact CB-CE 4.46Å; L63-M66 HydrophobicContact CD2-CE 3.37Å; L63-M66 HydrophobicContact CG-CE 4.47Å; L63-M66 PolarHBondContact O-N 3.16Å; L63-M67 PolarHBondContact O-N 3Å; L63-A89 HydrophobicContact CD1-CB 4.16Å; L63-F93 HydrophobicContact CB-CB 4.23Å; L63-F93 HydrophobicContact CB-CD2 3.41Å; L63-F93 VanDerWaalsContact CB-CD2 3.41Å; L63-F93 HydrophobicContact CB-CE2 3.85Å; L63-F93 HydrophobicContact CB-CG 3.86Å; L63-F93 HydrophobicContact CD1-CB 3.64Å; L63-F93 HydrophobicContact CD1-CD1 4.09Å; L63-F93 HydrophobicContact CD1-CD2 4.19Å; L63-F93 HydrophobicContact CD1-CG 3.71Å; L63-F93 HydrophobicContact CG-CD2 4.44Å; L63-F93 HydrophobicContact CG-CG 4.44Å
64Y93.6Very high93.3Very high123 Ų12364 Ų6448%0.48232%0.315SS..Hα-helixtrans-64-29.3177.976.1-96.2000112.9K62 M67 I68K62-Y64 VanDerWaalsContact C-N 3.29Å; K62-Y64 HydrophobicContact CB-CD1 3.63Å; K62-Y64 HydrophobicContact CB-CE1 3.35Å; K62-Y64 HydrophobicContact CB-CG 4.46Å; K62-Y64 HydrophobicContact CD-CE1 4.25Å; K62-Y64 HydrophobicContact CG-CD1 4.43Å; K62-Y64 HydrophobicContact CG-CE1 3.68Å; K62-Y64 PolarHBondContact O-N 3.31Å; Y64-M67 WeakPolarHBondContact O-CB 3.32Å; Y64-M67 PolarHBondContact O-N 3.44Å; Y64-I68 HydrophobicContact CD2-CD1 3.94Å; Y64-I68 HydrophobicContact CE2-CD1 4.37Å; Y64-I68 WeakPolarHBondContact O-CG1 3.23Å; Y64-I68 PolarHBondContact O-N 3.16Å; Y64-I68 VanDerWaalsContact O-N 3.14Å
65R94.8Very high93.3Very high120 Ų12060.1 Ų60.145%0.45329%0.292SS..Hα-helixtrans-71.1-39-178.9-172.866.6-159.5-176.36110.7K62 L63 M67 I68 D69K62-R65 HydrophobicContact CB-CB 4.17Å; K62-R65 WeakPolarHBondContact O-CB 3.31Å; K62-R65 PolarHBondContact O-N 2.53Å; L63-R65 PolarHBondContact O-N 2.8Å; R65-M67 VanDerWaalsContact C-N 3.28Å; R65-M67 PolarHBondContact O-N 2.69Å; R65-I68 PolarHBondContact O-N 3.39Å; R65-D69 WeakPolarHBondContact CG-OD2 3.49Å; R65-D69 IonicContact CZ-OD1 3Å; R65-D69 IonicContact CZ-OD2 3Å; R65-D69 IonicContact NE-OD1 3.87Å; R65-D69 PolarHBondContact NE-OD1 3.4Å; R65-D69 IonicContact NE-OD2 2.71Å; R65-D69 PolarHBondContact NE-OD2 3.32Å; R65-D69 IonicContact NH2-OD1 2.97Å; R65-D69 PolarHBondContact NH2-OD1 3.35Å; R65-D69 IonicContact NH2-OD2 2.62Å; R65-D69 WeakPolarHBondContact O-CB 3.4Å; R65-D69 PolarHBondContact O-N 3.36Å
66M95.3Very high93.5Very high0 Ų060.2 Ų60.20%029%0.289CS..Hα-helixtrans-59.9-38.6171.8-68.1-173.1-78.600112M5 L7 I30 A32 F53 L61 K62 L63 S70M5-M66 HydrophobicContact CE-CB 4.07Å; M5-M66 HydrophobicContact CE-CE 3.63Å; M5-M66 HydrophobicContact CE-SD 4.15Å; L7-M66 HydrophobicContact CD1-CE 4.32Å; L7-M66 HydrophobicContact CD2-CE 3.69Å; L7-M66 HydrophobicContact CD2-SD 3.97Å; I30-M66 HydrophobicContact CG2-CB 4.12Å; I30-M66 HydrophobicContact CG2-SD 4.26Å; A32-M66 HydrophobicContact CB-CE 4.49Å; A32-M66 HydrophobicContact CB-SD 3.63Å; F53-M66 HydrophobicContact CB-CG 4.31Å; F53-M66 HydrophobicContact CB-SD 4.17Å; F53-M66 HydrophobicContact CD1-CG 4.04Å; F53-M66 HydrophobicContact CD2-CG 3.96Å; F53-M66 HydrophobicContact CD2-SD 4.14Å; F53-M66 HydrophobicContact CE1-CG 4.36Å; F53-M66 HydrophobicContact CE2-CB 4.47Å; F53-M66 HydrophobicContact CE2-CG 4.31Å; F53-M66 HydrophobicContact CG-CG 3.82Å; F53-M66 HydrophobicContact CG-SD 4.17Å; F53-M66 HydrophobicContact CZ-CG 4.5Å; L61-M66 HydrophobicContact CD1-CG 3.94Å; L61-M66 HydrophobicContact CD1-SD 4.44Å; L61-M66 HydrophobicContact CD2-CE 4.2Å; L61-M66 HydrophobicContact CD2-CG 4.42Å; L61-M66 HydrophobicContact CD2-SD 3.84Å; L61-M66 HydrophobicContact CG-CE 4.33Å; L61-M66 HydrophobicContact CG-CG 4.34Å; L61-M66 HydrophobicContact CG-SD 4.28Å; K62-M66 PolarHBondContact O-N 3.46Å; L63-M66 HydrophobicContact CB-CE 4.46Å; L63-M66 HydrophobicContact CD2-CE 3.37Å; L63-M66 HydrophobicContact CG-CE 4.47Å; L63-M66 PolarHBondContact O-N 3.16Å; M66-S70 WeakPolarHBondContact O-CB 3.49Å; M66-S70 PolarHBondContact O-N 2.94Å; M66-S70 PolarHBondContact O-OG 2.62Å
67M95.9Very high93.9Very high1 Ų157.5 Ų57.51%0.00528%0.275CS..Hα-helixtrans-63.4-43.6175.8-64-59.5-75.400112.1M5 L63 Y64 R65 S70 E71 S72 V75 F93 Y97M5-M67 HydrophobicContact CE-SD 4.42Å; M5-M67 HydrophobicContact SD-CG 4.49Å; M5-M67 HydrophobicContact SD-SD 3.48Å; L63-M67 PolarHBondContact O-N 3Å; Y64-M67 WeakPolarHBondContact O-CB 3.32Å; Y64-M67 PolarHBondContact O-N 3.44Å; R65-M67 VanDerWaalsContact C-N 3.28Å; R65-M67 PolarHBondContact O-N 2.69Å; M67-S70 PolarHBondContact O-OG 2.71Å; M67-E71 PolarHBondContact O-N 2.86Å; M67-S72 PolarHBondContact O-N 3.36Å; M67-V75 HydrophobicContact CE-CG2 3.54Å; M67-V75 HydrophobicContact SD-CG2 3.66Å; M67-F93 HydrophobicContact CG-CE2 3.67Å; M67-F93 HydrophobicContact CG-CZ 4.03Å; M67-F93 HydrophobicContact SD-CE2 4.37Å; M67-F93 HydrophobicContact SD-CZ 4.12Å; M67-Y97 HydrophobicContact CB-CD1 4.13Å; M67-Y97 HydrophobicContact CB-CE1 3.48Å; M67-Y97 VanDerWaalsContact CB-CE1 3.48Å; M67-Y97 HydrophobicContact CE-CD1 3.67Å; M67-Y97 HydrophobicContact CE-CE1 4.15Å; M67-Y97 HydrophobicContact CE-CG 4.39Å; M67-Y97 HydrophobicContact CG-CD1 3.83Å; M67-Y97 HydrophobicContact CG-CD2 4.48Å; M67-Y97 HydrophobicContact CG-CE1 3.67Å; M67-Y97 HydrophobicContact CG-CE2 4.37Å; M67-Y97 HydrophobicContact CG-CG 4.22Å
68I95.3Very high94.3Very high89 Ų8957 Ų5746%0.45627%0.272SS..Hα-helixtrans-64.3-52.6177.6-66.9168.5000110.7Y64 R65 S70 E71Y64-I68 HydrophobicContact CD2-CD1 3.94Å; Y64-I68 HydrophobicContact CE2-CD1 4.37Å; Y64-I68 WeakPolarHBondContact O-CG1 3.23Å; Y64-I68 PolarHBondContact O-N 3.16Å; Y64-I68 VanDerWaalsContact O-N 3.14Å; R65-I68 PolarHBondContact O-N 3.39Å; I68-S70 PolarHBondContact O-N 3.03Å; I68-E71 PolarHBondContact O-N 2.82Å; I68-E71 VanDerWaalsContact O-N 3.09Å
69D95.3Very high94.8Very high64 Ų6458.1 Ų58.134%0.34227%0.274SS..Hα-helixtrans-68.7-27.5-173.8-67.6-21.4000111.9Q51 F53 R65Q51-D69 PolarHBondContact OE1-O 2.91Å; F53-D69 HydrophobicContact CE1-CB 3.82Å; F53-D69 HydrophobicContact CZ-CB 3.89Å; R65-D69 WeakPolarHBondContact CG-OD2 3.49Å; R65-D69 IonicContact CZ-OD1 3Å; R65-D69 IonicContact CZ-OD2 3Å; R65-D69 IonicContact NE-OD1 3.87Å; R65-D69 PolarHBondContact NE-OD1 3.4Å; R65-D69 IonicContact NE-OD2 2.71Å; R65-D69 PolarHBondContact NE-OD2 3.32Å; R65-D69 IonicContact NH2-OD1 2.97Å; R65-D69 PolarHBondContact NH2-OD1 3.35Å; R65-D69 IonicContact NH2-OD2 2.62Å; R65-D69 WeakPolarHBondContact O-CB 3.4Å; R65-D69 PolarHBondContact O-N 3.36Å
70S94.4Very high95.1Very high3 Ų353.5 Ų53.52%0.02125%0.249CC..THydrogen-bonded Turntrans-89.51.4174.4690000114.9N28 I30 Q51 M66 M67 I68 S72N28-S70 PolarHBondContact ND2-O 2.81Å; I30-S70 WeakPolarHBondContact CD1-OG 3.27Å; Q51-S70 VanDerWaalsContact OE1-CA 3.31Å; M66-S70 WeakPolarHBondContact O-CB 3.49Å; M66-S70 PolarHBondContact O-N 2.94Å; M66-S70 PolarHBondContact O-OG 2.62Å; M67-S70 PolarHBondContact O-OG 2.71Å; I68-S70 PolarHBondContact O-N 3.03Å; S70-S72 PolarHBondContact O-N 2.93Å; S70-S72 VanDerWaalsContact O-N 3.15Å; S70-S72 WeakPolarHBondContact OG-CB 3.42Å; S70-S72 PolarHBondContact OG-OG 2.93Å
71E93.9Very high95.1Very high178 Ų17850.5 Ų50.583%0.83223%0.229SC*.THydrogen-bonded Turntrans56.126.2-175.8-55.2-178.6-17000113.9M67 I68M67-E71 PolarHBondContact O-N 2.86Å; I68-E71 PolarHBondContact O-N 2.82Å; I68-E71 VanDerWaalsContact O-N 3.09Å
72S94.8Very high94.7Very high9 Ų949.9 Ų49.96%0.06323%0.226CC..  trans-89.7138.3178.7-68.50000111.9S3 N28 M67 S70S3-S72 PolarHBondContact OG-OG 3.36Å; N28-S72 PolarHBondContact ND2-OG 3.21Å; M67-S72 PolarHBondContact O-N 3.36Å; S70-S72 PolarHBondContact O-N 2.93Å; S70-S72 VanDerWaalsContact O-N 3.15Å; S70-S72 WeakPolarHBondContact OG-CB 3.42Å; S70-S72 PolarHBondContact OG-OG 2.93Å
73K94.4Very high94.1Very high187 Ų18751 Ų5181%0.81323%0.232SC*.SBendtrans-106-24.4178.6-63.3-178-179.4179.30113.3
74E96.4Very high93.2Very high55 Ų5554.7 Ų54.726%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-147.1159.8-177.962.4-174.1175.400108.9R2 S3 F98R2-E74 WeakPolarHBondContact CD-OE1 3.49Å; R2-E74 IonicContact NH1-OE1 3.87Å; S3-E74 WeakPolarHBondContact CB-O 3.39Å; E74-F98 WeakPolarHBondContact CA-O 3.37Å; E74-F98 HydrophobicContact CB-CB 4.3Å; E74-F98 HydrophobicContact CB-CD1 4.17Å
75V97.9Very high92.2Very high1 Ų151 Ų511%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-121.2123.1178.3-175.10000108.3M5 M67 I77 L78 F93 F98 V99 C100M5-V75 HydrophobicContact CB-CG1 4.18Å; M5-V75 HydrophobicContact CG-CG1 4Å; M5-V75 HydrophobicContact CG-CG2 4Å; M5-V75 HydrophobicContact SD-CG1 4.43Å; M5-V75 HydrophobicContact SD-CG2 3.56Å; M5-V75 VanDerWaalsContact SD-CG2 3.56Å; M67-V75 HydrophobicContact CE-CG2 3.54Å; M67-V75 HydrophobicContact SD-CG2 3.66Å; V75-I77 VanDerWaalsContact CG1-C 3.45Å; V75-I77 WeakPolarHBondContact CG1-O 3.46Å; V75-L78 HydrophobicContact CG1-CB 4.11Å; V75-F93 HydrophobicContact CG2-CZ 4.16Å; V75-F98 PolarHBondContact N-O 2.86Å; V75-V99 HydrophobicContact CB-CG1 4.3Å; V75-V99 HydrophobicContact CB-CG2 4.1Å; V75-V99 HydrophobicContact CG1-CG1 4.45Å; V75-V99 HydrophobicContact CG2-CG2 4.41Å; V75-V99 CarbonylContact O-C 3.59Å; V75-V99 VanDerWaalsContact O-CA 3.29Å; V75-V99 WeakPolarHBondContact O-CA 3.29Å; V75-C100 PolarHBondContact O-N 3.25Å
76E97.4Very high91.2Very high10 Ų1046.6 Ų46.65%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-76.5-44.7174.5-166.486.5-130.400110.6M1 S3 C100 Q101 R152 Y153M1-E76 WeakPolarHBondContact CA-OE2 3.19Å; M1-E76 HydrophobicContact CB-CB 4.22Å; M1-E76 HydrophobicContact CB-CG 3.92Å; M1-E76 HydrophobicContact CG-CB 3.5Å; M1-E76 HydrophobicContact CG-CG 3.68Å; M1-E76 HydrophobicContact SD-CB 3.91Å; M1-E76 HydrophobicContact SD-CG 3.9Å; S3-E76 WeakPolarHBondContact O-CB 3.48Å; S3-E76 PolarHBondContact O-N 2.94Å; E76-C100 WeakPolarHBondContact O-CB 3.41Å; E76-C100 PolarHBondContact OE1-SG 3.31Å; E76-Q101 WeakPolarHBondContact O-CB 3.21Å; E76-Q101 PolarHBondContact O-N 3Å; E76-R152 IonicContact OE1-CZ 3.83Å; E76-R152 IonicContact OE1-NH1 2.81Å; E76-R152 PolarHBondContact OE1-NH1 2.95Å; E76-R152 IonicContact OE2-NH1 3.37Å; E76-R152 PolarHBondContact OE2-NH1 2.9Å; E76-Y153 VanDerWaalsContact CG-OH 3.3Å; E76-Y153 WeakPolarHBondContact CG-OH 3.25Å; E76-Y153 PolarHBondContact OE1-OH 3.37Å
77I98Very high90.3Very high13 Ų1347.8 Ų47.87%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-130.8118.8179.6-58.2177.2000108.4M1 M4 M5 F15 I19 V75 L103M1-I77 HydrophobicContact CE-CD1 4.44Å; M1-I77 HydrophobicContact SD-CD1 3.57Å; M1-I77 VanDerWaalsContact SD-CD1 3.57Å; M1-I77 HydrophobicContact SD-CG1 3.87Å; M4-I77 WeakPolarHBondContact CA-O 3.33Å; M4-I77 HydrophobicContact CG-CB 4.16Å; M4-I77 HydrophobicContact CG-CG2 4.47Å; M5-I77 PolarHBondContact N-O 3.39Å; F15-I77 HydrophobicContact CE1-CG2 4.38Å; I19-I77 HydrophobicContact CD1-CD1 4.31Å; V75-I77 VanDerWaalsContact CG1-C 3.45Å; V75-I77 WeakPolarHBondContact CG1-O 3.46Å; I77-L103 HydrophobicContact CG2-CD1 4.03Å; I77-L103 HydrophobicContact CG2-CG 4.26Å
78L98.1Very high89.7Confident0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-102.7102.2167.9175.461.9000108.3M5 L7 V75 I80 L90 F93 L94 V99 Q101 I102 L103M5-L78 HydrophobicContact CB-CD1 3.76Å; M5-L78 HydrophobicContact SD-CD1 4.45Å; L7-L78 HydrophobicContact CD1-CD1 4.09Å; L7-L78 HydrophobicContact CG-CD1 4.5Å; V75-L78 HydrophobicContact CG1-CB 4.11Å; L78-I80 HydrophobicContact CD1-CB 4.43Å; L78-I80 HydrophobicContact CG-CB 4.45Å; L78-I80 HydrophobicContact CG-CG2 4.23Å; L78-L90 HydrophobicContact CD2-CD1 3.83Å; L78-F93 HydrophobicContact CD2-CD1 4.32Å; L78-F93 HydrophobicContact CD2-CE1 4.14Å; L78-L94 HydrophobicContact CD2-CD2 4.26Å; L78-V99 HydrophobicContact CB-CG1 3.69Å; L78-V99 HydrophobicContact CD2-CG1 4.42Å; L78-Q101 PolarHBondContact N-O 3.26Å; L78-I102 CarbonylContact O-C 3.59Å; L78-I102 WeakPolarHBondContact O-CA 3.45Å; L78-L103 PolarHBondContact O-N 2.93Å
79K97.2Very high89.5Confident50 Ų5047.6 Ų47.622%0.21725%0.254CS..EExtended strand (participates in β ladder)trans-89.1124165.8173.6177.3170.9-75.50108.5M4 M5 S6 L7 L103M4-K79 HydrophobicContact CE-CB 4.36Å; M5-K79 PolarHBondContact O-N 2.88Å; S6-K79 WeakPolarHBondContact CA-O 3.29Å; L7-K79 PolarHBondContact N-O 3.2Å; K79-L103 CarbonylContact C-O 3.51Å; K79-L103 VanDerWaalsContact CA-O 3.27Å; K79-L103 WeakPolarHBondContact CA-O 3.36Å
80I94.4Very high89.4Confident6 Ų644.6 Ų44.63%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-147.3131.5-177.7-174.2176.1000111.5L7 L78 I82 L90 L103 I104 E105L7-I80 HydrophobicContact CB-CB 4.28Å; L7-I80 HydrophobicContact CB-CG1 4.01Å; L7-I80 HydrophobicContact CD1-CB 4.37Å; L7-I80 HydrophobicContact CD1-CD1 3.89Å; L7-I80 HydrophobicContact CD1-CG1 4.01Å; L78-I80 HydrophobicContact CD1-CB 4.43Å; L78-I80 HydrophobicContact CG-CB 4.45Å; L78-I80 HydrophobicContact CG-CG2 4.23Å; I80-I82 HydrophobicContact CD1-CG2 3.52Å; I80-I82 HydrophobicContact CG1-CG2 3.63Å; I80-L90 HydrophobicContact CD1-CD1 4.43Å; I80-L103 PolarHBondContact N-O 3.49Å; I80-I104 HydrophobicContact CG2-CB 3.86Å; I80-I104 HydrophobicContact CG2-CD1 3.76Å; I80-I104 HydrophobicContact CG2-CG1 3.71Å; I80-I104 VanDerWaalsContact O-CA 3.24Å; I80-I104 WeakPolarHBondContact O-CA 3.4Å; I80-E105 PolarHBondContact O-N 3.33Å
81D90.8Very high89.4Confident44 Ų4446.9 Ų46.924%0.23525%0.248CC..EExtended strand (participates in β ladder)trans-95.3124.8164-170.2-17.7000108.5L7 H107L7-D81 PolarHBondContact O-N 3.19Å; D81-H107 IonicContact OD1-CD2 3.86Å; D81-H107 PolarHBondContact OD1-CD2 3.14Å; D81-H107 IonicContact OD1-NE2 2.69Å; D81-H107 PolarHBondContact OD1-NE2 2.72Å; D81-H107 IonicContact OD2-NE2 3.14Å
82I84.1Confident89.4Confident0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-116.1114177.865.9167000111.5I80 E86 I104 E105 I106 H107 M116I80-I82 HydrophobicContact CD1-CG2 3.52Å; I80-I82 HydrophobicContact CG1-CG2 3.63Å; I82-E86 HydrophobicContact CB-CB 3.88Å; I82-E86 HydrophobicContact CG2-CB 3.57Å; I82-E86 HydrophobicContact CG2-CG 4.33Å; I82-I104 HydrophobicContact CD1-CD1 3.79Å; I82-I104 HydrophobicContact CG1-CD1 4Å; I82-I104 HydrophobicContact CG1-CG1 4.23Å; I82-I104 HydrophobicContact CG2-CD1 4.17Å; I82-E105 VanDerWaalsContact CG1-O 3.29Å; I82-E105 WeakPolarHBondContact CG1-O 3.41Å; I82-E105 PolarHBondContact N-O 3.04Å; I82-I106 HydrophobicContact CD1-CB 4.32Å; I82-I106 HydrophobicContact CD1-CG1 3.98Å; I82-I106 HydrophobicContact CD1-CG2 3.93Å; I82-I106 HydrophobicContact CG1-CB 4.17Å; I82-I106 HydrophobicContact CG1-CG1 4.06Å; I82-I106 HydrophobicContact CG1-CG2 4.09Å; I82-H107 WeakPolarHBondContact O-CB 3.44Å; I82-H107 PolarHBondContact O-CD2 2.98Å; I82-H107 VanDerWaalsContact O-CD2 3.27Å; I82-H107 PolarHBondContact O-N 3.13Å; I82-M116 HydrophobicContact CD1-CE 4.43Å; I82-M116 HydrophobicContact CD1-CG 4.25Å
83E81.2Confident89.5Confident107 Ų10741.4 Ų41.450%0.523%0.227SC..  trans-95.4-43.9-178-67.8-168-167.500112.2E86E83-E86 PolarHBondContact N-OE2 2.93Å
84S75Confident89.6Confident88 Ų8833.2 Ų33.262%0.61519%0.192SC*.SBendtrans-158.5-84.8-172.6-171.60000113E86 H87S84-E86 PolarHBondContact N-OE2 2.84Å; S84-E86 PolarHBondContact O-N 2.9Å; S84-H87 WeakPolarHBondContact O-CB 3.49Å; S84-H87 PolarHBondContact O-N 2.87Å; S84-H87 PolarHBondContact O-ND1 2.87Å
85S70.7Confident89.6Confident46 Ų4636.6 Ų36.632%0.32221%0.205SC..THydrogen-bonded Turntrans-70.2-20.6-171.9560000112.8V57 P58 H87 A88V57-S85 PolarHBondContact O-OG 2.92Å; V57-S85 VanDerWaalsContact O-OG 3.14Å; P58-S85 VanDerWaalsContact CD-O 3.25Å; P58-S85 WeakPolarHBondContact CD-O 3.25Å; S85-H87 PolarHBondContact O-N 2.81Å; S85-H87 VanDerWaalsContact O-N 3.1Å; S85-A88 PolarHBondContact O-N 3.26Å
86E74.6Confident89.5Confident28 Ų2842.5 Ų42.513%0.13124%0.237CC..THydrogen-bonded Turntrans-58.5-25.1175.2-59.386.9-178.300112.8V57 I82 E83 S84 A88 A89 L90V57-E86 HydrophobicContact CB-CG 4.09Å; V57-E86 HydrophobicContact CG1-CG 4.28Å; I82-E86 HydrophobicContact CB-CB 3.88Å; I82-E86 HydrophobicContact CG2-CB 3.57Å; I82-E86 HydrophobicContact CG2-CG 4.33Å; E83-E86 PolarHBondContact N-OE2 2.93Å; S84-E86 PolarHBondContact N-OE2 2.84Å; S84-E86 PolarHBondContact O-N 2.9Å; E86-A88 PolarHBondContact O-N 2.92Å; E86-A89 WeakPolarHBondContact O-CB 3.4Å; E86-A89 PolarHBondContact O-N 2.95Å; E86-L90 PolarHBondContact O-N 3.43Å; E86-L90 VanDerWaalsContact O-N 3.15Å
87H76.6Confident89.5Confident25 Ų2544.5 Ų44.512%0.11625%0.245CC..Hα-helixtrans-54.6-35.5175.9-7374.6000112.3S84 S85 A89 M116S84-H87 WeakPolarHBondContact O-CB 3.49Å; S84-H87 PolarHBondContact O-N 2.87Å; S84-H87 PolarHBondContact O-ND1 2.87Å; S85-H87 PolarHBondContact O-N 2.81Å; S85-H87 VanDerWaalsContact O-N 3.1Å; H87-A89 VanDerWaalsContact C-N 3.34Å; H87-M116 HydrophobicContact CB-SD 4.18Å; H87-M116 WeakPolarHBondContact CD2-CG 3.24Å
88A84Confident89.4Confident71 Ų7146.6 Ų46.659%0.58725%0.253SS*.Hα-helixtrans-78.1-20.1178.300000112.9S85 E86 P92S85-A88 PolarHBondContact O-N 3.26Å; E86-A88 PolarHBondContact O-N 2.92Å; A88-P92 VanDerWaalsContact O-CD 3.26Å; A88-P92 WeakPolarHBondContact O-CD 3.47Å; A88-P92 WeakPolarHBondContact O-CG 3.27Å
89A89.9Confident89.4Confident15 Ų1546.6 Ų46.612%0.12425%0.254CS..Hα-helixtrans-88.2-34.4-175.600000113.1V57 P58 L63 E86 H87 P92 F93V57-A89 HydrophobicContact CG1-CB 3.66Å; P58-A89 HydrophobicContact CB-CB 3.83Å; P58-A89 HydrophobicContact CG-CB 4.3Å; L63-A89 HydrophobicContact CD1-CB 4.16Å; E86-A89 WeakPolarHBondContact O-CB 3.4Å; E86-A89 PolarHBondContact O-N 2.95Å; H87-A89 VanDerWaalsContact C-N 3.34Å; A89-P92 WeakPolarHBondContact O-CD 3.17Å; A89-F93 WeakPolarHBondContact O-CB 3.44Å; A89-F93 PolarHBondContact O-N 3.28Å; A89-F93 VanDerWaalsContact O-N 3.17Å
90L93.1Very high89.5Confident1 Ų144.3 Ų44.31%0.00524%0.244CC..Hα-helixtrans-67.3-50.3-169.2-176.361.5000113L78 I80 E86 F93 L94 I104 M116 I120L78-L90 HydrophobicContact CD2-CD1 3.83Å; I80-L90 HydrophobicContact CD1-CD1 4.43Å; E86-L90 PolarHBondContact O-N 3.43Å; E86-L90 VanDerWaalsContact O-N 3.15Å; L90-F93 WeakPolarHBondContact O-CB 3.49Å; L90-F93 PolarHBondContact O-N 2.86Å; L90-F93 VanDerWaalsContact O-N 3.14Å; L90-L94 HydrophobicContact CD1-CD1 4.01Å; L90-L94 HydrophobicContact CD1-CD2 4.32Å; L90-L94 HydrophobicContact CD1-CG 3.97Å; L90-L94 HydrophobicContact CG-CD1 3.92Å; L90-L94 HydrophobicContact CG-CG 4.26Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.42Å; L90-I104 HydrophobicContact CD2-CD1 3.5Å; L90-M116 HydrophobicContact CB-CE 4.2Å; L90-M116 HydrophobicContact CD2-CE 3.83Å; L90-M116 HydrophobicContact CG-CE 4.44Å; L90-I120 HydrophobicContact CD2-CD1 4.19Å
91E94.4Very high89.6Confident50 Ų5045.4 Ų45.423%0.23425%0.249CC..Hα-helixtrans-61.2-47.1-178.2178.2-173.5-179.100112.5F93 L94 K95 K119 L123E91-F93 VanDerWaalsContact C-N 3.27Å; E91-F93 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 2.83Å; E91-K95 HydrophobicContact CG-CD 4.36Å; E91-K95 WeakPolarHBondContact O-CG 3.33Å; E91-K95 PolarHBondContact O-N 3.11Å; E91-K95 VanDerWaalsContact O-N 3.13Å; E91-K95 VanDerWaalsContact OE1-CE 3.28Å; E91-K95 WeakPolarHBondContact OE1-CE 3.4Å; E91-K95 IonicContact OE1-NZ 3.12Å; E91-K95 PolarHBondContact OE1-NZ 3.02Å; E91-K119 HydrophobicContact CB-CD 4.43Å; E91-K119 VanDerWaalsContact OE2-CD 3.3Å; E91-K119 WeakPolarHBondContact OE2-CD 3.45Å; E91-K119 WeakPolarHBondContact OE2-CE 3.35Å; E91-K119 IonicContact OE2-NZ 2.74Å; E91-L123 HydrophobicContact CG-CD1 4.37Å
92P95Very high90Very high64 Ų6443.3 Ų43.342%0.41624%0.237SC..Hα-helixtrans-58.4-37.5173-25.834.8000113.3A88 A89 K95 N96A88-P92 VanDerWaalsContact O-CD 3.26Å; A88-P92 WeakPolarHBondContact O-CD 3.47Å; A88-P92 WeakPolarHBondContact O-CG 3.27Å; A89-P92 WeakPolarHBondContact O-CD 3.17Å; P92-K95 PolarHBondContact O-N 2.78Å; P92-N96 PolarHBondContact O-N 2.79Å; P92-N96 PolarHBondContact O-ND2 3.2Å
93F96.1Very high90.6Very high8 Ų845.3 Ų45.34%0.03525%0.248CC..Hα-helixtrans-64.8-50.1178.1179.1-105.7000111.8M5 L63 M67 V75 L78 A89 L90 E91 K95 N96 Y97 V99M5-F93 HydrophobicContact CE-CZ 4.47Å; M5-F93 HydrophobicContact SD-CE1 4.39Å; M5-F93 HydrophobicContact SD-CZ 3.76Å; L63-F93 HydrophobicContact CB-CB 4.23Å; L63-F93 HydrophobicContact CB-CD2 3.41Å; L63-F93 VanDerWaalsContact CB-CD2 3.41Å; L63-F93 HydrophobicContact CB-CE2 3.85Å; L63-F93 HydrophobicContact CB-CG 3.86Å; L63-F93 HydrophobicContact CD1-CB 3.64Å; L63-F93 HydrophobicContact CD1-CD1 4.09Å; L63-F93 HydrophobicContact CD1-CD2 4.19Å; L63-F93 HydrophobicContact CD1-CG 3.71Å; L63-F93 HydrophobicContact CG-CD2 4.44Å; L63-F93 HydrophobicContact CG-CG 4.44Å; M67-F93 HydrophobicContact CG-CE2 3.67Å; M67-F93 HydrophobicContact CG-CZ 4.03Å; M67-F93 HydrophobicContact SD-CE2 4.37Å; M67-F93 HydrophobicContact SD-CZ 4.12Å; V75-F93 HydrophobicContact CG2-CZ 4.16Å; L78-F93 HydrophobicContact CD2-CD1 4.32Å; L78-F93 HydrophobicContact CD2-CE1 4.14Å; A89-F93 WeakPolarHBondContact O-CB 3.44Å; A89-F93 PolarHBondContact O-N 3.28Å; A89-F93 VanDerWaalsContact O-N 3.17Å; L90-F93 WeakPolarHBondContact O-CB 3.49Å; L90-F93 PolarHBondContact O-N 2.86Å; L90-F93 VanDerWaalsContact O-N 3.14Å; E91-F93 VanDerWaalsContact C-N 3.27Å; E91-F93 PolarHBondContact O-N 2.93Å; F93-K95 PolarHBondContact O-N 2.94Å; F93-N96 PolarHBondContact O-N 2.84Å; F93-Y97 AromaticContact CD2-CD2 3.62Å; F93-Y97 HydrophobicContact CD2-CD2 3.62Å; F93-Y97 HydrophobicContact CD2-CE2 4.25Å; F93-Y97 HydrophobicContact CD2-CG 4.29Å; F93-Y97 AromaticContact CE2-CD2 3.51Å; F93-Y97 HydrophobicContact CE2-CD2 3.51Å; F93-Y97 HydrophobicContact CE2-CE2 4.15Å; F93-Y97 AromaticContact CE2-CG 3.8Å; F93-Y97 HydrophobicContact CE2-CG 3.8Å; F93-Y97 HydrophobicContact CZ-CD2 4.37Å; F93-Y97 HydrophobicContact CZ-CG 4.26Å; F93-Y97 PolarHBondContact O-N 2.72Å; F93-V99 HydrophobicContact CD1-CG2 4.41Å; F93-V99 HydrophobicContact CE1-CG2 3.81Å
94L96.8Very high91.4Very high16 Ų1640.4 Ų40.48%0.08423%0.225CC..Hα-helixtrans-64-22.5179.5-64.2178.9000113.5L78 L90 E91 V99 I102 I120 L123 F125L78-L94 HydrophobicContact CD2-CD2 4.26Å; L90-L94 HydrophobicContact CD1-CD1 4.01Å; L90-L94 HydrophobicContact CD1-CD2 4.32Å; L90-L94 HydrophobicContact CD1-CG 3.97Å; L90-L94 HydrophobicContact CG-CD1 3.92Å; L90-L94 HydrophobicContact CG-CG 4.26Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.42Å; E91-L94 PolarHBondContact O-N 2.83Å; L94-V99 HydrophobicContact CD2-CB 3.88Å; L94-V99 HydrophobicContact CD2-CG1 4.42Å; L94-V99 HydrophobicContact CD2-CG2 3.6Å; L94-I102 HydrophobicContact CD1-CD1 3.75Å; L94-I102 HydrophobicContact CD2-CD1 3.81Å; L94-I102 HydrophobicContact CG-CD1 4.46Å; L94-I120 HydrophobicContact CD1-CG1 4.32Å; L94-L123 HydrophobicContact CB-CD1 3.63Å; L94-L123 HydrophobicContact CD1-CD1 4.15Å; L94-F125 HydrophobicContact CD2-CZ 4.33Å
95K96.1Very high92.3Very high125 Ų12537.4 Ų37.454%0.54320%0.201SC..Hα-helixtrans-76.8-26.2172.7-76.4176.3-178.6170.30113.6E91 P92 F93 L123E91-K95 HydrophobicContact CG-CD 4.36Å; E91-K95 WeakPolarHBondContact O-CG 3.33Å; E91-K95 PolarHBondContact O-N 3.11Å; E91-K95 VanDerWaalsContact O-N 3.13Å; E91-K95 VanDerWaalsContact OE1-CE 3.28Å; E91-K95 WeakPolarHBondContact OE1-CE 3.4Å; E91-K95 IonicContact OE1-NZ 3.12Å; E91-K95 PolarHBondContact OE1-NZ 3.02Å; P92-K95 PolarHBondContact O-N 2.78Å; F93-K95 PolarHBondContact O-N 2.94Å; K95-L123 HydrophobicContact CG-CD1 4.46Å; K95-L123 HydrophobicContact CG-CD2 3.81Å
96N95.8Very high93.5Very high126 Ų12635.2 Ų35.267%0.67419%0.186SC*.Hα-helixtrans-105.8-25.3-173-72.2-62.4000113.4P92 F93P92-N96 PolarHBondContact O-N 2.79Å; P92-N96 PolarHBondContact O-ND2 3.2Å; F93-N96 PolarHBondContact O-N 2.84Å
97Y96.8Very high94.4Very high51 Ų5135.6 Ų35.620%0.219%0.188CC..SBendtrans-121.5137.2179.9-69.3-88.8000110.5M67 F93 V99M67-Y97 HydrophobicContact CB-CD1 4.13Å; M67-Y97 HydrophobicContact CB-CE1 3.48Å; M67-Y97 VanDerWaalsContact CB-CE1 3.48Å; M67-Y97 HydrophobicContact CE-CD1 3.67Å; M67-Y97 HydrophobicContact CE-CE1 4.15Å; M67-Y97 HydrophobicContact CE-CG 4.39Å; M67-Y97 HydrophobicContact CG-CD1 3.83Å; M67-Y97 HydrophobicContact CG-CD2 4.48Å; M67-Y97 HydrophobicContact CG-CE1 3.67Å; M67-Y97 HydrophobicContact CG-CE2 4.37Å; M67-Y97 HydrophobicContact CG-CG 4.22Å; F93-Y97 AromaticContact CD2-CD2 3.62Å; F93-Y97 HydrophobicContact CD2-CD2 3.62Å; F93-Y97 HydrophobicContact CD2-CE2 4.25Å; F93-Y97 HydrophobicContact CD2-CG 4.29Å; F93-Y97 AromaticContact CE2-CD2 3.51Å; F93-Y97 HydrophobicContact CE2-CD2 3.51Å; F93-Y97 HydrophobicContact CE2-CE2 4.15Å; F93-Y97 AromaticContact CE2-CG 3.8Å; F93-Y97 HydrophobicContact CE2-CG 3.8Å; F93-Y97 HydrophobicContact CZ-CD2 4.37Å; F93-Y97 HydrophobicContact CZ-CG 4.26Å; F93-Y97 PolarHBondContact O-N 2.72Å; Y97-V99 PolarHBondContact O-N 3.37Å
98F97.4Very high95Very high57 Ų5735.2 Ų35.225%0.2519%0.191CC..EExtended strand (participates in β ladder)trans-71.7122.6173.2-177.2-101.7000109.7E74 V75 C100 M148 C149E74-F98 WeakPolarHBondContact CA-O 3.37Å; E74-F98 HydrophobicContact CB-CB 4.3Å; E74-F98 HydrophobicContact CB-CD1 4.17Å; V75-F98 PolarHBondContact N-O 2.86Å; F98-C100 HydrophobicContact CE1-CB 4.18Å; F98-M148 HydrophobicContact CD2-CE 3.97Å; F98-M148 HydrophobicContact CE2-CB 4.19Å; F98-M148 HydrophobicContact CE2-CE 3.55Å; F98-M148 HydrophobicContact CE2-SD 4.28Å; F98-M148 HydrophobicContact CZ-CB 4.39Å; F98-C149 VanDerWaalsContact CZ-SG 3.58Å
99V98.1Very high95.4Very high1 Ų137.5 Ų37.51%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-122.4128174.3-176.20000108.6V75 L78 F93 L94 Y97 Q101 I102 F125 N146V75-V99 HydrophobicContact CB-CG1 4.3Å; V75-V99 HydrophobicContact CB-CG2 4.1Å; V75-V99 HydrophobicContact CG1-CG1 4.45Å; V75-V99 HydrophobicContact CG2-CG2 4.41Å; V75-V99 CarbonylContact O-C 3.59Å; V75-V99 VanDerWaalsContact O-CA 3.29Å; V75-V99 WeakPolarHBondContact O-CA 3.29Å; L78-V99 HydrophobicContact CB-CG1 3.69Å; L78-V99 HydrophobicContact CD2-CG1 4.42Å; F93-V99 HydrophobicContact CD1-CG2 4.41Å; F93-V99 HydrophobicContact CE1-CG2 3.81Å; L94-V99 HydrophobicContact CD2-CB 3.88Å; L94-V99 HydrophobicContact CD2-CG1 4.42Å; L94-V99 HydrophobicContact CD2-CG2 3.6Å; Y97-V99 PolarHBondContact O-N 3.37Å; V99-Q101 WeakPolarHBondContact CG1-O 3.44Å; V99-I102 HydrophobicContact CG1-CG1 3.89Å; V99-F125 HydrophobicContact CB-CZ 4.16Å; V99-F125 WeakPolarHBondContact O-CE1 3.46Å; V99-F125 WeakPolarHBondContact O-CZ 3.26Å; V99-N146 WeakPolarHBondContact O-CB 3.13Å
100C98Very high95.5Very high1 Ų141.5 Ų41.51%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-87.6-47-174.4-168.50000112.5V75 E76 F98 N146 C149V75-C100 PolarHBondContact O-N 3.25Å; E76-C100 WeakPolarHBondContact O-CB 3.41Å; E76-C100 PolarHBondContact OE1-SG 3.31Å; F98-C100 HydrophobicContact CE1-CB 4.18Å; C100-N146 WeakPolarHBondContact O-CB 3.43Å; C100-N146 PolarHBondContact O-N 3.39Å; C100-C149 WeakPolarHBondContact CA-SG 3.5Å; C100-C149 HydrophobicContact CB-CB 4.23Å; C100-C149 WeakPolarHBondContact CB-SG 3.34Å; C100-C149 WeakPolarHBondContact SG-CB 3.37Å; C100-C149 CovalentContact SG-SG 2.01Å; C100-C149 PolarHBondContact SG-SG 3.14Å
101Q98.1Very high95.5Very high29 Ų2945.2 Ų45.214%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-130.3145175.6-64.1-179.988.800110.8E76 L78 V99 F144 I145 Y153E76-Q101 WeakPolarHBondContact O-CB 3.21Å; E76-Q101 PolarHBondContact O-N 3Å; L78-Q101 PolarHBondContact N-O 3.26Å; V99-Q101 WeakPolarHBondContact CG1-O 3.44Å; Q101-F144 VanDerWaalsContact CA-O 3.29Å; Q101-F144 WeakPolarHBondContact CA-O 3.37Å; Q101-I145 HydrophobicContact CG-CG1 4.24Å; Q101-Y153 PolarHBondContact NE2-OH 3.48Å
102I98.3Very high95.3Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-123.7126176.1-54.9170.8000108.1L78 L94 V99 I104 I120 F125 S143 F144L78-I102 CarbonylContact O-C 3.59Å; L78-I102 WeakPolarHBondContact O-CA 3.45Å; L94-I102 HydrophobicContact CD1-CD1 3.75Å; L94-I102 HydrophobicContact CD2-CD1 3.81Å; L94-I102 HydrophobicContact CG-CD1 4.46Å; V99-I102 HydrophobicContact CG1-CG1 3.89Å; I102-I104 HydrophobicContact CG2-CB 3.88Å; I102-I104 HydrophobicContact CG2-CG2 3.9Å; I102-I120 HydrophobicContact CD1-CG2 4.34Å; I102-F125 HydrophobicContact CD1-CD1 3.74Å; I102-F125 HydrophobicContact CD1-CD2 4.39Å; I102-F125 HydrophobicContact CD1-CE1 3.52Å; I102-F125 HydrophobicContact CD1-CE2 4.2Å; I102-F125 HydrophobicContact CD1-CG 4.18Å; I102-F125 HydrophobicContact CD1-CZ 3.77Å; I102-F125 HydrophobicContact CG1-CD1 4.17Å; I102-F125 HydrophobicContact CG1-CE1 3.77Å; I102-F125 HydrophobicContact CG1-CZ 4.32Å; I102-S143 CarbonylContact O-C 3.57Å; I102-S143 WeakPolarHBondContact O-CA 3.29Å; I102-F144 HydrophobicContact CB-CB 4.26Å; I102-F144 HydrophobicContact CB-CD2 4.25Å; I102-F144 HydrophobicContact CG2-CD2 4.44Å; I102-F144 PolarHBondContact N-O 2.96Å; I102-F144 PolarHBondContact O-N 3.07Å
103L97.8Very high95.2Very high43 Ų4345.7 Ų45.723%0.22524%0.243CC..EExtended strand (participates in β ladder)trans-113.9109.8169.1-51.5-179000106.4F15 I77 L78 K79 I80F15-L103 HydrophobicContact CE1-CD1 4.45Å; F15-L103 HydrophobicContact CE2-CD1 3.89Å; F15-L103 HydrophobicContact CZ-CD1 3.6Å; I77-L103 HydrophobicContact CG2-CD1 4.03Å; I77-L103 HydrophobicContact CG2-CG 4.26Å; L78-L103 PolarHBondContact O-N 2.93Å; K79-L103 CarbonylContact C-O 3.51Å; K79-L103 VanDerWaalsContact CA-O 3.27Å; K79-L103 WeakPolarHBondContact CA-O 3.36Å; I80-L103 PolarHBondContact N-O 3.49Å
104I96.1Very high95.1Very high4 Ų449 Ų492%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-133.2127.6-168-177.9165.8000112.4I80 I82 L90 I102 I106 E141 Y142 F144I80-I104 HydrophobicContact CG2-CB 3.86Å; I80-I104 HydrophobicContact CG2-CD1 3.76Å; I80-I104 HydrophobicContact CG2-CG1 3.71Å; I80-I104 VanDerWaalsContact O-CA 3.24Å; I80-I104 WeakPolarHBondContact O-CA 3.4Å; I82-I104 HydrophobicContact CD1-CD1 3.79Å; I82-I104 HydrophobicContact CG1-CD1 4Å; I82-I104 HydrophobicContact CG1-CG1 4.23Å; I82-I104 HydrophobicContact CG2-CD1 4.17Å; L90-I104 HydrophobicContact CD2-CD1 3.5Å; I102-I104 HydrophobicContact CG2-CB 3.88Å; I102-I104 HydrophobicContact CG2-CG2 3.9Å; I104-I106 HydrophobicContact CD1-CD1 4.39Å; I104-I106 HydrophobicContact CD1-CG1 3.97Å; I104-I106 HydrophobicContact CG1-CG1 3.78Å; I104-I106 HydrophobicContact CG2-CG1 4.44Å; I104-E141 CarbonylContact O-C 3.59Å; I104-E141 WeakPolarHBondContact O-CA 3.46Å; I104-Y142 PolarHBondContact N-O 3.06Å; I104-Y142 PolarHBondContact O-N 3Å; I104-F144 HydrophobicContact CG2-CD2 4.07Å; I104-F144 HydrophobicContact CG2-CE2 3.67Å
105E95.3Very high95Very high24 Ų2451.7 Ų51.711%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-89.7127.7160.2-178169.6-125.800108.9I80 I82 H107 N133 C139 E141I80-E105 PolarHBondContact O-N 3.33Å; I82-E105 VanDerWaalsContact CG1-O 3.29Å; I82-E105 WeakPolarHBondContact CG1-O 3.41Å; I82-E105 PolarHBondContact N-O 3.04Å; E105-H107 IonicContact OE2-CD2 2.87Å; E105-H107 IonicContact OE2-CE1 3.74Å; E105-H107 IonicContact OE2-NE2 3.79Å; E105-H107 PolarHBondContact OE2-NE2 3.48Å; E105-N133 WeakPolarHBondContact OE1-CB 3.26Å; E105-N133 PolarHBondContact OE1-ND2 3.14Å; E105-C139 HydrophobicContact CG-CB 4.09Å; E105-C139 WeakPolarHBondContact OE1-CB 3.44Å; E105-E141 HydrophobicContact CB-CG 4.19Å; E105-E141 HydrophobicContact CG-CG 4.32Å
106I94.5Very high94.8Very high0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-111.7113.4176.1-51.7179.9000109.3I82 I104 Q113 M116 L117 C139 C140 Y142I82-I106 HydrophobicContact CD1-CB 4.32Å; I82-I106 HydrophobicContact CD1-CG1 3.98Å; I82-I106 HydrophobicContact CD1-CG2 3.93Å; I82-I106 HydrophobicContact CG1-CB 4.17Å; I82-I106 HydrophobicContact CG1-CG1 4.06Å; I82-I106 HydrophobicContact CG1-CG2 4.09Å; I104-I106 HydrophobicContact CD1-CD1 4.39Å; I104-I106 HydrophobicContact CD1-CG1 3.97Å; I104-I106 HydrophobicContact CG1-CG1 3.78Å; I104-I106 HydrophobicContact CG2-CG1 4.44Å; I106-Q113 HydrophobicContact CB-CG 4.38Å; I106-Q113 HydrophobicContact CG2-CB 4.43Å; I106-Q113 HydrophobicContact CG2-CG 3.92Å; I106-M116 HydrophobicContact CD1-CB 3.91Å; I106-L117 HydrophobicContact CD1-CD2 4.45Å; I106-C139 WeakPolarHBondContact O-CA 3.38Å; I106-C140 PolarHBondContact N-O 2.93Å; I106-C140 PolarHBondContact O-N 3.17Å; I106-Y142 HydrophobicContact CB-CE2 4.3Å; I106-Y142 HydrophobicContact CD1-CD2 3.78Å; I106-Y142 HydrophobicContact CD1-CE2 3.91Å; I106-Y142 HydrophobicContact CG1-CD2 3.99Å; I106-Y142 HydrophobicContact CG1-CE2 4.19Å
107H93.4Very high94.8Very high37 Ų3741.7 Ų41.717%0.17123%0.225CC..EExtended strand (participates in β ladder)trans-83.4142.1170.3-64.6-128000110.6D81 I82 E105 C139D81-H107 IonicContact OD1-CD2 3.86Å; D81-H107 PolarHBondContact OD1-CD2 3.14Å; D81-H107 IonicContact OD1-NE2 2.69Å; D81-H107 PolarHBondContact OD1-NE2 2.72Å; D81-H107 IonicContact OD2-NE2 3.14Å; I82-H107 WeakPolarHBondContact O-CB 3.44Å; I82-H107 PolarHBondContact O-CD2 2.98Å; I82-H107 VanDerWaalsContact O-CD2 3.27Å; I82-H107 PolarHBondContact O-N 3.13Å; E105-H107 IonicContact OE2-CD2 2.87Å; E105-H107 IonicContact OE2-CE1 3.74Å; E105-H107 IonicContact OE2-NE2 3.79Å; E105-H107 PolarHBondContact OE2-NE2 3.48Å; H107-C139 PolarHBondContact CE1-SG 3.1Å; H107-C139 PolarHBondContact ND1-SG 3.24Å
108G90.9Very high94.8Very high17 Ų1746 Ų4618%0.17524%0.241CC..SBendtrans129.1171.8169.300000113.6Q113 I138G108-Q113 PolarHBondContact O-NE2 3.29Å; G108-I138 CarbonylContact C-O 3.55Å; G108-I138 PolarHBondContact N-O 3.46Å
109L91.9Very high94.7Very high119 Ų11945.3 Ų45.362%0.62324%0.237SC*.  trans-60.2155.2-179.2-63.1178.3000111.6A111 K112 Q113 I138L109-A111 PolarHBondContact O-N 2.9Å; L109-K112 WeakPolarHBondContact O-CB 3.37Å; L109-K112 PolarHBondContact O-N 3.32Å; L109-Q113 PolarHBondContact O-N 3.37Å; L109-I138 HydrophobicContact CD2-CG2 4.37Å
110P91.8Very high94.7Very high99 Ų9945.3 Ų45.364%0.64324%0.238SC*.Hα-helixtrans-50.9-32.2-177-30.935.9000115.1K112 Q113 L114P110-K112 VanDerWaalsContact C-N 3.35Å; P110-K112 PolarHBondContact O-N 3.21Å; P110-Q113 PolarHBondContact O-N 3.4Å; P110-L114 WeakPolarHBondContact O-CB 3.4Å; P110-L114 PolarHBondContact O-N 2.94Å
111A93.1Very high94.6Very high78 Ų7848 Ų4865%0.64526%0.257SS*.Hα-helixtrans-62.2-39.4175.800000113L109 E115L109-A111 PolarHBondContact O-N 2.9Å; A111-E115 PolarHBondContact O-N 3Å
112K90Very high94.5Very high104 Ų10456 Ų5645%0.45229%0.285SS..Hα-helixtrans-73.2-40.7177.4-76.9-70.8171.6-165.40112L109 P110 L114 E115 M116L109-K112 WeakPolarHBondContact O-CB 3.37Å; L109-K112 PolarHBondContact O-N 3.32Å; P110-K112 VanDerWaalsContact C-N 3.35Å; P110-K112 PolarHBondContact O-N 3.21Å; K112-L114 PolarHBondContact O-N 3.26Å; K112-E115 IonicContact NZ-OE2 2.83Å; K112-E115 PolarHBondContact NZ-OE2 2.79Å; K112-E115 WeakPolarHBondContact O-CB 3.4Å; K112-E115 PolarHBondContact O-N 3.32Å; K112-M116 PolarHBondContact O-N 2.88Å; K112-M116 VanDerWaalsContact O-N 3.14Å
113Q92.6Very high94.5Very high20 Ų2058.2 Ų58.29%0.09330%0.297CS..Hα-helixtrans-58.4-49.6172.4-58.7-170.419.300110.6I106 G108 L109 P110 E115 M116 L117 I138 Y142I106-Q113 HydrophobicContact CB-CG 4.38Å; I106-Q113 HydrophobicContact CG2-CB 4.43Å; I106-Q113 HydrophobicContact CG2-CG 3.92Å; G108-Q113 PolarHBondContact O-NE2 3.29Å; L109-Q113 PolarHBondContact O-N 3.37Å; P110-Q113 PolarHBondContact O-N 3.4Å; Q113-E115 VanDerWaalsContact C-N 3.29Å; Q113-E115 PolarHBondContact O-N 2.78Å; Q113-M116 PolarHBondContact O-N 2.96Å; Q113-M116 VanDerWaalsContact O-N 3.1Å; Q113-L117 VanDerWaalsContact O-CG 3.26Å; Q113-L117 WeakPolarHBondContact O-CG 3.33Å; Q113-L117 PolarHBondContact O-N 3.06Å; Q113-I138 PolarHBondContact NE2-O 2.94Å; Q113-Y142 PolarHBondContact OE1-OH 2.94Å
114L94.4Very high94.4Very high79 Ų7957 Ų5741%0.41430%0.295SS..Hα-helixtrans-59.2-37.4177.5-179.261.1000113.2P110 K112 R118P110-L114 WeakPolarHBondContact O-CB 3.4Å; P110-L114 PolarHBondContact O-N 2.94Å; K112-L114 PolarHBondContact O-N 3.26Å; L114-R118 HydrophobicContact CD1-CG 4.29Å; L114-R118 WeakPolarHBondContact O-CB 3.32Å; L114-R118 VanDerWaalsContact O-CG 3.3Å; L114-R118 WeakPolarHBondContact O-CG 3.3Å; L114-R118 PolarHBondContact O-N 2.91Å
115E93.8Very high94.5Very high72 Ų7257 Ų5734%0.33630%0.295SS..Hα-helixtrans-58-48.7174.4-167.9-164.9141.500111A111 K112 Q113 R118 K119A111-E115 PolarHBondContact O-N 3Å; K112-E115 IonicContact NZ-OE2 2.83Å; K112-E115 PolarHBondContact NZ-OE2 2.79Å; K112-E115 WeakPolarHBondContact O-CB 3.4Å; K112-E115 PolarHBondContact O-N 3.32Å; Q113-E115 VanDerWaalsContact C-N 3.29Å; Q113-E115 PolarHBondContact O-N 2.78Å; E115-R118 PolarHBondContact O-N 2.7Å; E115-K119 WeakPolarHBondContact O-CG 3.35Å; E115-K119 PolarHBondContact O-N 2.97Å; E115-K119 VanDerWaalsContact O-N 3.13Å; E115-K119 WeakPolarHBondContact OE1-CE 3.47Å; E115-K119 IonicContact OE1-NZ 2.72Å; E115-K119 PolarHBondContact OE1-NZ 3.14Å
116M93.8Very high94.5Very high1 Ų161.7 Ų61.71%0.00531%0.312CS..Hα-helixtrans-69.2-43.2179.8-69-50-59.700113I82 H87 L90 I106 K112 Q113 R118 K119 I120I82-M116 HydrophobicContact CD1-CE 4.43Å; I82-M116 HydrophobicContact CD1-CG 4.25Å; H87-M116 HydrophobicContact CB-SD 4.18Å; H87-M116 WeakPolarHBondContact CD2-CG 3.24Å; L90-M116 HydrophobicContact CB-CE 4.2Å; L90-M116 HydrophobicContact CD2-CE 3.83Å; L90-M116 HydrophobicContact CG-CE 4.44Å; I106-M116 HydrophobicContact CD1-CB 3.91Å; K112-M116 PolarHBondContact O-N 2.88Å; K112-M116 VanDerWaalsContact O-N 3.14Å; Q113-M116 PolarHBondContact O-N 2.96Å; Q113-M116 VanDerWaalsContact O-N 3.1Å; M116-R118 VanDerWaalsContact C-N 3.26Å; M116-R118 PolarHBondContact O-N 3.49Å; M116-K119 HydrophobicContact CE-CD 4.42Å; M116-K119 WeakPolarHBondContact O-CB 3.46Å; M116-K119 PolarHBondContact O-N 2.87Å; M116-K119 VanDerWaalsContact O-N 3.08Å; M116-K119 HydrophobicContact SD-CD 3.87Å; M116-I120 WeakPolarHBondContact O-CG1 3.4Å; M116-I120 PolarHBondContact O-N 2.81Å
117L95.7Very high94.6Very high39 Ų3966.4 Ų66.420%0.20434%0.335CS..Hα-helixtrans-56.7-41.8175.8-66.2177.7000111.4I106 Q113 S121 Y142 F144I106-L117 HydrophobicContact CD1-CD2 4.45Å; Q113-L117 VanDerWaalsContact O-CG 3.26Å; Q113-L117 WeakPolarHBondContact O-CG 3.33Å; Q113-L117 PolarHBondContact O-N 3.06Å; L117-S121 WeakPolarHBondContact O-CB 3.4Å; L117-S121 PolarHBondContact O-N 2.81Å; L117-Y142 HydrophobicContact CD1-CE1 3.98Å; L117-Y142 HydrophobicContact CD2-CD1 3.78Å; L117-Y142 HydrophobicContact CD2-CD2 4.2Å; L117-Y142 HydrophobicContact CD2-CE1 3.8Å; L117-Y142 HydrophobicContact CD2-CE2 4.21Å; L117-Y142 HydrophobicContact CD2-CG 3.98Å; L117-Y142 HydrophobicContact CG-CE1 4.47Å; L117-F144 HydrophobicContact CD2-CE1 4.29Å; L117-F144 HydrophobicContact CD2-CZ 3.56Å
118R96.1Very high94.7Very high142 Ų14269.9 Ų69.954%0.53635%0.35SS..Hα-helixtrans-65.8-40.6175.7-75.9172.3172.1170.4-1.5112.4L114 E115 M116 R122L114-R118 HydrophobicContact CD1-CG 4.29Å; L114-R118 WeakPolarHBondContact O-CB 3.32Å; L114-R118 VanDerWaalsContact O-CG 3.3Å; L114-R118 WeakPolarHBondContact O-CG 3.3Å; L114-R118 PolarHBondContact O-N 2.91Å; E115-R118 PolarHBondContact O-N 2.7Å; M116-R118 VanDerWaalsContact C-N 3.26Å; M116-R118 PolarHBondContact O-N 3.49Å; R118-R122 WeakPolarHBondContact O-CB 3.46Å; R118-R122 WeakPolarHBondContact O-CD 3.48Å; R118-R122 VanDerWaalsContact O-CG 3.23Å; R118-R122 WeakPolarHBondContact O-CG 3.23Å; R118-R122 PolarHBondContact O-N 3.42Å; R118-R122 VanDerWaalsContact O-N 3.13Å
119K95.8Very high94.9Very high42 Ų4272.6 Ų72.618%0.18336%0.36CS..Hα-helixtrans-62.4-51.4176.6-75.2168.4167.6174.20111E91 E115 M116 S121 R122 L123E91-K119 HydrophobicContact CB-CD 4.43Å; E91-K119 VanDerWaalsContact OE2-CD 3.3Å; E91-K119 WeakPolarHBondContact OE2-CD 3.45Å; E91-K119 WeakPolarHBondContact OE2-CE 3.35Å; E91-K119 IonicContact OE2-NZ 2.74Å; E115-K119 WeakPolarHBondContact O-CG 3.35Å; E115-K119 PolarHBondContact O-N 2.97Å; E115-K119 VanDerWaalsContact O-N 3.13Å; E115-K119 WeakPolarHBondContact OE1-CE 3.47Å; E115-K119 IonicContact OE1-NZ 2.72Å; E115-K119 PolarHBondContact OE1-NZ 3.14Å; M116-K119 HydrophobicContact CE-CD 4.42Å; M116-K119 WeakPolarHBondContact O-CB 3.46Å; M116-K119 PolarHBondContact O-N 2.87Å; M116-K119 VanDerWaalsContact O-N 3.08Å; M116-K119 HydrophobicContact SD-CD 3.87Å; K119-S121 PolarHBondContact O-N 3.36Å; K119-R122 PolarHBondContact O-N 2.69Å; K119-L123 WeakPolarHBondContact O-CG 3.28Å; K119-L123 PolarHBondContact O-N 3.13Å
120I96.8Very high95.1Very high2 Ų273.3 Ų73.31%0.0136%0.358CS..Hα-helixtrans-60.7-47.5179.3-66.8168.6000110.5L90 L94 I102 M116 R122 L123 F125 F144L90-I120 HydrophobicContact CD2-CD1 4.19Å; L94-I120 HydrophobicContact CD1-CG1 4.32Å; I102-I120 HydrophobicContact CD1-CG2 4.34Å; M116-I120 WeakPolarHBondContact O-CG1 3.4Å; M116-I120 PolarHBondContact O-N 2.81Å; I120-R122 VanDerWaalsContact C-N 3.33Å; I120-R122 PolarHBondContact O-N 3.27Å; I120-L123 PolarHBondContact O-N 3.43Å; I120-F125 HydrophobicContact CG2-CB 3.55Å; I120-F125 HydrophobicContact CG2-CD2 4.3Å; I120-F125 HydrophobicContact CG2-CG 3.99Å; I120-F144 HydrophobicContact CD1-CE2 4.03Å; I120-F144 HydrophobicContact CD1-CZ 4.34Å; I120-F144 HydrophobicContact CG2-CB 4.46Å; I120-F144 HydrophobicContact CG2-CD1 3.72Å; I120-F144 HydrophobicContact CG2-CD2 4.11Å; I120-F144 HydrophobicContact CG2-CE1 3.92Å; I120-F144 HydrophobicContact CG2-CE2 4.27Å; I120-F144 HydrophobicContact CG2-CG 3.84Å; I120-F144 HydrophobicContact CG2-CZ 4.21Å
121S95.8Very high95.3Very high58 Ų5873.9 Ų73.941%0.40635%0.353SS..Hα-helixtrans-60.6-38.7-179.51790000113.3L117 K119 L123 G124L117-S121 WeakPolarHBondContact O-CB 3.4Å; L117-S121 PolarHBondContact O-N 2.81Å; K119-S121 PolarHBondContact O-N 3.36Å; S121-L123 PolarHBondContact O-N 3.14Å; S121-G124 PolarHBondContact O-N 3.36Å
122R96.9Very high95.3Very high196 Ų19678.1 Ų78.174%0.7435%0.352SS*.Hα-helixtrans-67-17.4176.9-75.1170.1-179159.2-1.5113.8R118 K119 I120 G124R118-R122 WeakPolarHBondContact O-CB 3.46Å; R118-R122 WeakPolarHBondContact O-CD 3.48Å; R118-R122 VanDerWaalsContact O-CG 3.23Å; R118-R122 WeakPolarHBondContact O-CG 3.23Å; R118-R122 PolarHBondContact O-N 3.42Å; R118-R122 VanDerWaalsContact O-N 3.13Å; K119-R122 PolarHBondContact O-N 2.69Å; I120-R122 VanDerWaalsContact C-N 3.33Å; I120-R122 PolarHBondContact O-N 3.27Å; R122-G124 VanDerWaalsContact C-N 3.29Å
123L97.6Very high95.3Very high47 Ų4774.6 Ų74.625%0.24634%0.338CS..THydrogen-bonded Turntrans-91.415.2177.7-62.6175.6000113E91 L94 K95 K119 I120 S121 F125E91-L123 HydrophobicContact CG-CD1 4.37Å; L94-L123 HydrophobicContact CB-CD1 3.63Å; L94-L123 HydrophobicContact CD1-CD1 4.15Å; K95-L123 HydrophobicContact CG-CD1 4.46Å; K95-L123 HydrophobicContact CG-CD2 3.81Å; K119-L123 WeakPolarHBondContact O-CG 3.28Å; K119-L123 PolarHBondContact O-N 3.13Å; I120-L123 PolarHBondContact O-N 3.43Å; S121-L123 PolarHBondContact O-N 3.14Å; L123-F125 HydrophobicContact CB-CD2 4.01Å; L123-F125 HydrophobicContact CB-CE2 4.23Å
124G96.4Very high95.1Very high18 Ų1879.3 Ų79.319%0.18637%0.37CS..THydrogen-bonded Turntrans80.327176.200000113.6S121 R122 N146 E147S121-G124 PolarHBondContact O-N 3.36Å; R122-G124 VanDerWaalsContact C-N 3.29Å; G124-N146 WeakPolarHBondContact O-CA 3.43Å; G124-E147 WeakPolarHBondContact O-CG 3.1Å; G124-E147 PolarHBondContact O-N 2.87Å
125F97.7Very high95Very high4 Ų481 Ų812%0.01839%0.389CS..EExtended strand (participates in β ladder)trans-101.1134.7173.7-73.8-91.8000111L94 V99 I102 I120 L123 F144 I145 N146L94-F125 HydrophobicContact CD2-CZ 4.33Å; V99-F125 HydrophobicContact CB-CZ 4.16Å; V99-F125 WeakPolarHBondContact O-CE1 3.46Å; V99-F125 WeakPolarHBondContact O-CZ 3.26Å; I102-F125 HydrophobicContact CD1-CD1 3.74Å; I102-F125 HydrophobicContact CD1-CD2 4.39Å; I102-F125 HydrophobicContact CD1-CE1 3.52Å; I102-F125 HydrophobicContact CD1-CE2 4.2Å; I102-F125 HydrophobicContact CD1-CG 4.18Å; I102-F125 HydrophobicContact CD1-CZ 3.77Å; I102-F125 HydrophobicContact CG1-CD1 4.17Å; I102-F125 HydrophobicContact CG1-CE1 3.77Å; I102-F125 HydrophobicContact CG1-CZ 4.32Å; I120-F125 HydrophobicContact CG2-CB 3.55Å; I120-F125 HydrophobicContact CG2-CD2 4.3Å; I120-F125 HydrophobicContact CG2-CG 3.99Å; L123-F125 HydrophobicContact CB-CD2 4.01Å; L123-F125 HydrophobicContact CB-CE2 4.23Å; F125-F144 HydrophobicContact CB-CB 4.07Å; F125-F144 HydrophobicContact CB-CD1 4.36Å; F125-F144 HydrophobicContact CD1-CB 4.05Å; F125-F144 HydrophobicContact CG-CB 4.47Å; F125-I145 CarbonylContact C-O 3.53Å; F125-I145 WeakPolarHBondContact CA-O 3Å; F125-N146 HydrophobicContact CD1-CB 4.02Å; F125-N146 HydrophobicContact CE1-CB 3.68Å; F125-N146 HydrophobicContact CZ-CB 4.08Å; F125-N146 WeakPolarHBondContact CZ-ND2 3.42Å
126R95.9Very high94.8Very high121 Ų12178.9 Ų78.946%0.45738%0.382SS..EExtended strand (participates in β ladder)trans-105.7128.5174.8-61.6-63179.6-159.3-0.9109.6F144 I145 E147 M150R126-F144 CarbonylContact O-C 3.49Å; R126-F144 VanDerWaalsContact O-CA 3.25Å; R126-F144 WeakPolarHBondContact O-CA 3.05Å; R126-I145 HydrophobicContact CB-CG2 4.39Å; R126-I145 PolarHBondContact N-O 2.91Å; R126-I145 PolarHBondContact O-N 3.14Å; R126-E147 HydrophobicContact CG-CG 3.82Å; R126-E147 IonicContact CZ-OE1 2.98Å; R126-E147 IonicContact NE-OE1 3.85Å; R126-E147 PolarHBondContact NE-OE1 3.2Å; R126-E147 IonicContact NH2-OE1 3.86Å; R126-E147 PolarHBondContact NH2-OE1 3.12Å; R126-M150 HydrophobicContact CG-SD 4.26Å
127M96.1Very high94.7Very high99 Ų9984.3 Ų84.349%0.48842%0.415SS..EExtended strand (participates in β ladder)trans-73.9132.6174.1-170174.370.500109.2F130 Y142 S143 F144M127-F130 HydrophobicContact CE-CD1 4.31Å; M127-F130 HydrophobicContact SD-CB 4.37Å; M127-Y142 HydrophobicContact SD-CD1 3.69Å; M127-Y142 HydrophobicContact SD-CE1 4.24Å; M127-S143 WeakPolarHBondContact CA-O 3.43Å; M127-F144 HydrophobicContact CB-CD1 3.85Å; M127-F144 HydrophobicContact CB-CE1 3.67Å; M127-F144 HydrophobicContact CG-CD1 4.37Å; M127-F144 HydrophobicContact CG-CE1 3.96Å; M127-F144 HydrophobicContact CG-CZ 4.4Å; M127-F144 HydrophobicContact SD-CE1 4.42Å
128F95.4Very high94.6Very high111 Ų11186.1 Ų86.149%0.48742%0.424SS..EExtended strand (participates in β ladder)trans-125-14.3176.767.7-98.8000113.4S143 F144 I145F128-S143 WeakPolarHBondContact CD1-O 3.36Å; F128-S143 VanDerWaalsContact CE2-CB 3.47Å; F128-S143 PolarHBondContact N-O 3.13Å; F128-F144 VanDerWaalsContact CE1-C 3.44Å; F128-I145 HydrophobicContact CD1-CB 4.15Å; F128-I145 HydrophobicContact CD1-CG2 4.13Å; F128-I145 HydrophobicContact CE1-CB 4.21Å
129N96.1Very high94.4Very high73 Ų7379.5 Ų79.539%0.3940%0.399SS..EExtended strand (participates in β ladder)trans-146.5150.3173.8-171.453.5000110.6S143N129-S143 PolarHBondContact O-N 3.08Å
130F95.6Very high94.4Very high134 Ų13478.1 Ų78.159%0.58840%0.395SS*.EExtended strand (participates in β ladder)trans-148.9144.5165.373.4-83.8000109.8M127 E141 Y142M127-F130 HydrophobicContact CE-CD1 4.31Å; M127-F130 HydrophobicContact SD-CB 4.37Å; F130-E141 CarbonylContact C-O 3.51Å; F130-E141 WeakPolarHBondContact CA-O 2.98Å; F130-Y142 HydrophobicContact CB-CD1 3.63Å; F130-Y142 HydrophobicContact CB-CE1 3.93Å
131E95.9Very high94.4Very high112 Ų11281.9 Ų81.952%0.52341%0.413SS..EExtended strand (participates in β ladder)trans-144134.9178.6-174.7164.9-178.300110.2C140 E141E131-C140 PolarHBondContact O-SG 3.24Å; E131-E141 PolarHBondContact N-O 2.9Å; E131-E141 PolarHBondContact O-N 3.36Å
132R93.1Very high94.5Very high167 Ų16780.1 Ų80.163%0.6340%0.397SS*.EExtended strand (participates in β ladder)trans-77.4131.2174.8-174.1-173.4-170.1179.95.9108.8P134 T137R132-P134 VanDerWaalsContact O-CD 3.3Å; R132-P134 WeakPolarHBondContact O-CD 3.1Å; R132-T137 PolarHBondContact NH2-O 3.15Å
133N89.3Confident94.5Very high30 Ų3071.6 Ų71.616%0.1637%0.367CS..  trans-67.4118.4171.2-173.2-37.6000109.7E105 S135 C136 C139E105-N133 WeakPolarHBondContact OE1-CB 3.26Å; E105-N133 PolarHBondContact OE1-ND2 3.14Å; N133-S135 VanDerWaalsContact C-N 3.25Å; N133-S135 PolarHBondContact O-N 3.47Å; N133-S135 WeakPolarHBondContact OD1-CA 3.35Å; N133-S135 WeakPolarHBondContact OD1-CB 3.29Å; N133-S135 PolarHBondContact OD1-N 3.07Å; N133-C136 HydrophobicContact CB-CB 4.18Å; N133-C136 PolarHBondContact O-N 3.17Å; N133-C136 PolarHBondContact OD1-N 3.31Å; N133-C136 VanDerWaalsContact OD1-N 3.14Å; N133-C139 HydrophobicContact CB-CB 3.99Å; N133-C139 PolarHBondContact N-O 2.78Å
134P89.9Confident94.5Very high118 Ų11869.6 Ų69.677%0.76636%0.357SS*.SBendtrans-69.5-23.5-178.427.7-34.1000113.1R132R132-P134 VanDerWaalsContact O-CD 3.3Å; R132-P134 WeakPolarHBondContact O-CD 3.1Å
135S90.8Very high94.6Very high116 Ų11668.9 Ų68.981%0.81135%0.348SS*.SBendtrans-92.3-14.7-178.9-58.70000113N133N133-S135 VanDerWaalsContact C-N 3.25Å; N133-S135 PolarHBondContact O-N 3.47Å; N133-S135 WeakPolarHBondContact OD1-CA 3.35Å; N133-S135 WeakPolarHBondContact OD1-CB 3.29Å; N133-S135 PolarHBondContact OD1-N 3.07Å
136C91Very high94.6Very high27 Ų2769.2 Ų69.218%0.18235%0.35CS..  trans-124.9110.7176.5174.60000111.8N133 I138 C139N133-C136 HydrophobicContact CB-CB 4.18Å; N133-C136 PolarHBondContact O-N 3.17Å; N133-C136 PolarHBondContact OD1-N 3.31Å; N133-C136 VanDerWaalsContact OD1-N 3.14Å; C136-I138 PolarHBondContact O-N 2.9Å; C136-I138 VanDerWaalsContact O-N 3.12Å; C136-C139 HydrophobicContact CB-CB 3.48Å; C136-C139 VanDerWaalsContact CB-CB 3.48Å; C136-C139 WeakPolarHBondContact CB-SG 3.44Å; C136-C139 PolarHBondContact O-N 3.47Å; C136-C139 WeakPolarHBondContact SG-CB 3.38Å; C136-C139 PolarHBondContact SG-N 2.79Å; C136-C139 CovalentContact SG-SG 2.02Å; C136-C139 PolarHBondContact SG-SG 2.89Å
137T91.5Very high94.6Very high114 Ų11467.4 Ų67.470%0.69935%0.347SS*.THydrogen-bonded Turntrans-65.6-20.1-175.358.70000114.6R132R132-T137 PolarHBondContact NH2-O 3.15Å
138I92.4Very high94.7Very high77 Ų7768.9 Ų68.940%0.39535%0.354SS..THydrogen-bonded Turntrans-114.212.8-178.963.4169.2000113G108 L109 Q113 C136G108-I138 CarbonylContact C-O 3.55Å; G108-I138 PolarHBondContact N-O 3.46Å; L109-I138 HydrophobicContact CD2-CG2 4.37Å; Q113-I138 PolarHBondContact NE2-O 2.94Å; C136-I138 PolarHBondContact O-N 2.9Å; C136-I138 VanDerWaalsContact O-N 3.12Å
139C93.4Very high94.7Very high3 Ų363.6 Ų63.62%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-113.3148.7179.2-49.50000110.8E105 I106 H107 N133 C136E105-C139 HydrophobicContact CG-CB 4.09Å; E105-C139 WeakPolarHBondContact OE1-CB 3.44Å; I106-C139 WeakPolarHBondContact O-CA 3.38Å; H107-C139 PolarHBondContact CE1-SG 3.1Å; H107-C139 PolarHBondContact ND1-SG 3.24Å; N133-C139 HydrophobicContact CB-CB 3.99Å; N133-C139 PolarHBondContact N-O 2.78Å; C136-C139 HydrophobicContact CB-CB 3.48Å; C136-C139 VanDerWaalsContact CB-CB 3.48Å; C136-C139 WeakPolarHBondContact CB-SG 3.44Å; C136-C139 PolarHBondContact O-N 3.47Å; C136-C139 WeakPolarHBondContact SG-CB 3.38Å; C136-C139 PolarHBondContact SG-N 2.79Å; C136-C139 CovalentContact SG-SG 2.02Å; C136-C139 PolarHBondContact SG-SG 2.89Å
140C95.6Very high94.7Very high13 Ų1361.2 Ų61.29%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-147.6136.1174.5-166.80000108.9I106 E131 Y142I106-C140 PolarHBondContact N-O 2.93Å; I106-C140 PolarHBondContact O-N 3.17Å; E131-C140 PolarHBondContact O-SG 3.24Å; C140-Y142 HydrophobicContact CB-CD2 4.47Å; C140-Y142 HydrophobicContact CB-CE2 3.58Å; C140-Y142 WeakPolarHBondContact O-CD2 3.42Å; C140-Y142 WeakPolarHBondContact O-CE2 3.33Å; C140-Y142 PolarHBondContact SG-OH 3.27Å
141E95.9Very high94.7Very high82 Ų8259.7 Ų59.738%0.38332%0.324SS..EExtended strand (participates in β ladder)trans-92.3139.8176.5-60.9179.8161.500109.4I104 E105 F130 E131I104-E141 CarbonylContact O-C 3.59Å; I104-E141 WeakPolarHBondContact O-CA 3.46Å; E105-E141 HydrophobicContact CB-CG 4.19Å; E105-E141 HydrophobicContact CG-CG 4.32Å; F130-E141 CarbonylContact C-O 3.51Å; F130-E141 WeakPolarHBondContact CA-O 2.98Å; E131-E141 PolarHBondContact N-O 2.9Å; E131-E141 PolarHBondContact O-N 3.36Å
142Y97.4Very high94.6Very high21 Ų2160.3 Ų60.38%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-136.2147.7-180-59.1-87.1000110I104 I106 Q113 L117 M127 F130 C140 F144I104-Y142 PolarHBondContact N-O 3.06Å; I104-Y142 PolarHBondContact O-N 3Å; I106-Y142 HydrophobicContact CB-CE2 4.3Å; I106-Y142 HydrophobicContact CD1-CD2 3.78Å; I106-Y142 HydrophobicContact CD1-CE2 3.91Å; I106-Y142 HydrophobicContact CG1-CD2 3.99Å; I106-Y142 HydrophobicContact CG1-CE2 4.19Å; Q113-Y142 PolarHBondContact OE1-OH 2.94Å; L117-Y142 HydrophobicContact CD1-CE1 3.98Å; L117-Y142 HydrophobicContact CD2-CD1 3.78Å; L117-Y142 HydrophobicContact CD2-CD2 4.2Å; L117-Y142 HydrophobicContact CD2-CE1 3.8Å; L117-Y142 HydrophobicContact CD2-CE2 4.21Å; L117-Y142 HydrophobicContact CD2-CG 3.98Å; L117-Y142 HydrophobicContact CG-CE1 4.47Å; M127-Y142 HydrophobicContact SD-CD1 3.69Å; M127-Y142 HydrophobicContact SD-CE1 4.24Å; F130-Y142 HydrophobicContact CB-CD1 3.63Å; F130-Y142 HydrophobicContact CB-CE1 3.93Å; C140-Y142 HydrophobicContact CB-CD2 4.47Å; C140-Y142 HydrophobicContact CB-CE2 3.58Å; C140-Y142 WeakPolarHBondContact O-CD2 3.42Å; C140-Y142 WeakPolarHBondContact O-CE2 3.33Å; C140-Y142 PolarHBondContact SG-OH 3.27Å; Y142-F144 HydrophobicContact CG-CE2 4.3Å; Y142-F144 HydrophobicContact CG-CZ 4.25Å
143S98Very high94.7Very high16 Ų1656.5 Ų56.511%0.11231%0.308CS..EExtended strand (participates in β ladder)trans-125.5131.6173.1-43.40000110.9I102 M127 F128 N129I102-S143 CarbonylContact O-C 3.57Å; I102-S143 WeakPolarHBondContact O-CA 3.29Å; M127-S143 WeakPolarHBondContact CA-O 3.43Å; F128-S143 WeakPolarHBondContact CD1-O 3.36Å; F128-S143 VanDerWaalsContact CE2-CB 3.47Å; F128-S143 PolarHBondContact N-O 3.13Å; N129-S143 PolarHBondContact O-N 3.08Å
144F98Very high94.9Very high5 Ų563.2 Ų63.22%0.02234%0.338CS..EExtended strand (participates in β ladder)trans-128.3148-177.4-55.7-91.9000112Q101 I102 I104 L117 I120 F125 R126 M127 F128 Y142Q101-F144 VanDerWaalsContact CA-O 3.29Å; Q101-F144 WeakPolarHBondContact CA-O 3.37Å; I102-F144 HydrophobicContact CB-CB 4.26Å; I102-F144 HydrophobicContact CB-CD2 4.25Å; I102-F144 HydrophobicContact CG2-CD2 4.44Å; I102-F144 PolarHBondContact N-O 2.96Å; I102-F144 PolarHBondContact O-N 3.07Å; I104-F144 HydrophobicContact CG2-CD2 4.07Å; I104-F144 HydrophobicContact CG2-CE2 3.67Å; L117-F144 HydrophobicContact CD2-CE1 4.29Å; L117-F144 HydrophobicContact CD2-CZ 3.56Å; I120-F144 HydrophobicContact CD1-CE2 4.03Å; I120-F144 HydrophobicContact CD1-CZ 4.34Å; I120-F144 HydrophobicContact CG2-CB 4.46Å; I120-F144 HydrophobicContact CG2-CD1 3.72Å; I120-F144 HydrophobicContact CG2-CD2 4.11Å; I120-F144 HydrophobicContact CG2-CE1 3.92Å; I120-F144 HydrophobicContact CG2-CE2 4.27Å; I120-F144 HydrophobicContact CG2-CG 3.84Å; I120-F144 HydrophobicContact CG2-CZ 4.21Å; F125-F144 HydrophobicContact CB-CB 4.07Å; F125-F144 HydrophobicContact CB-CD1 4.36Å; F125-F144 HydrophobicContact CD1-CB 4.05Å; F125-F144 HydrophobicContact CG-CB 4.47Å; R126-F144 CarbonylContact O-C 3.49Å; R126-F144 VanDerWaalsContact O-CA 3.25Å; R126-F144 WeakPolarHBondContact O-CA 3.05Å; M127-F144 HydrophobicContact CB-CD1 3.85Å; M127-F144 HydrophobicContact CB-CE1 3.67Å; M127-F144 HydrophobicContact CG-CD1 4.37Å; M127-F144 HydrophobicContact CG-CE1 3.96Å; M127-F144 HydrophobicContact CG-CZ 4.4Å; M127-F144 HydrophobicContact SD-CE1 4.42Å; F128-F144 VanDerWaalsContact CE1-C 3.44Å; Y142-F144 HydrophobicContact CG-CE2 4.3Å; Y142-F144 HydrophobicContact CG-CZ 4.25Å
145I97.9Very high95.1Very high3 Ų360.2 Ų60.22%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-121.2136.1168.6-170.4169.7000109.7Q101 F125 R126 F128 C149 M150 Y153 V155Q101-I145 HydrophobicContact CG-CG1 4.24Å; F125-I145 CarbonylContact C-O 3.53Å; F125-I145 WeakPolarHBondContact CA-O 3Å; R126-I145 HydrophobicContact CB-CG2 4.39Å; R126-I145 PolarHBondContact N-O 2.91Å; R126-I145 PolarHBondContact O-N 3.14Å; F128-I145 HydrophobicContact CD1-CB 4.15Å; F128-I145 HydrophobicContact CD1-CG2 4.13Å; F128-I145 HydrophobicContact CE1-CB 4.21Å; I145-C149 HydrophobicContact CD1-CB 4.28Å; I145-C149 HydrophobicContact CG1-CB 4Å; I145-M150 HydrophobicContact CD1-CG 4.25Å; I145-M150 HydrophobicContact CG1-CG 4.39Å; I145-M150 HydrophobicContact CG2-CG 3.97Å; I145-Y153 HydrophobicContact CD1-CD2 4.01Å; I145-Y153 HydrophobicContact CD1-CG 4.14Å; I145-V155 HydrophobicContact CD1-CB 4.49Å; I145-V155 HydrophobicContact CD1-CG2 3.69Å
146N97.7Very high95Very high11 Ų1161.4 Ų61.46%0.05931%0.314CS..EExtended strand (participates in β ladder)trans-67.3135.5170.9-166.8-64.2000109.4V99 C100 G124 F125 M148 C149 M150V99-N146 WeakPolarHBondContact O-CB 3.13Å; C100-N146 WeakPolarHBondContact O-CB 3.43Å; C100-N146 PolarHBondContact O-N 3.39Å; G124-N146 WeakPolarHBondContact O-CA 3.43Å; F125-N146 HydrophobicContact CD1-CB 4.02Å; F125-N146 HydrophobicContact CE1-CB 3.68Å; F125-N146 HydrophobicContact CZ-CB 4.08Å; F125-N146 WeakPolarHBondContact CZ-ND2 3.42Å; N146-M148 PolarHBondContact O-N 2.02Å; N146-M148 VanDerWaalsContact O-N 3.15Å; N146-M148 WeakPolarHBondContact OD1-CB 3.3Å; N146-M148 PolarHBondContact OD1-N 3.4Å; N146-C149 HydrophobicContact CB-CB 4.42Å; N146-C149 WeakPolarHBondContact O-CA 3.3Å; N146-C149 WeakPolarHBondContact O-CB 3.44Å; N146-C149 PolarHBondContact O-N 3.16Å; N146-M150 PolarHBondContact O-N 3.1Å
147E96.3Very high94.8Very high83 Ų8364 Ų6439%0.38833%0.33SS..G310 helixtrans-54.9-35.7179.4-72-177138.600112.8G124 R126 C149 M150G124-E147 WeakPolarHBondContact O-CG 3.1Å; G124-E147 PolarHBondContact O-N 2.87Å; R126-E147 HydrophobicContact CG-CG 3.82Å; R126-E147 IonicContact CZ-OE1 2.98Å; R126-E147 IonicContact NE-OE1 3.85Å; R126-E147 PolarHBondContact NE-OE1 3.2Å; R126-E147 IonicContact NH2-OE1 3.86Å; R126-E147 PolarHBondContact NH2-OE1 3.12Å; E147-C149 PolarHBondContact O-N 3.18Å; E147-C149 VanDerWaalsContact O-N 3.16Å; E147-M150 HydrophobicContact CB-SD 4.44Å; E147-M150 HydrophobicContact CG-SD 4.23Å; E147-M150 PolarHBondContact O-N 3.21Å
148M96.4Very high94.2Very high130 Ų13067.4 Ų67.464%0.6434%0.34SS*.G310 helixtrans-65.7-16.9176.8-63.7-171.5-8700113.3F98 N146F98-M148 HydrophobicContact CD2-CE 3.97Å; F98-M148 HydrophobicContact CE2-CB 4.19Å; F98-M148 HydrophobicContact CE2-CE 3.55Å; F98-M148 HydrophobicContact CE2-SD 4.28Å; F98-M148 HydrophobicContact CZ-CB 4.39Å; N146-M148 PolarHBondContact O-N 2.02Å; N146-M148 VanDerWaalsContact O-N 3.15Å; N146-M148 WeakPolarHBondContact OD1-CB 3.3Å; N146-M148 PolarHBondContact OD1-N 3.4Å
149C97.2Very high93Very high0 Ų069.3 Ų69.30%036%0.355CS..G310 helixtrans-97.8-14.7178.1-79.60000114.3F98 C100 I145 N146 E147 S151 R152 Y153F98-C149 VanDerWaalsContact CZ-SG 3.58Å; C100-C149 WeakPolarHBondContact CA-SG 3.5Å; C100-C149 HydrophobicContact CB-CB 4.23Å; C100-C149 WeakPolarHBondContact CB-SG 3.34Å; C100-C149 WeakPolarHBondContact SG-CB 3.37Å; C100-C149 CovalentContact SG-SG 2.01Å; C100-C149 PolarHBondContact SG-SG 3.14Å; I145-C149 HydrophobicContact CD1-CB 4.28Å; I145-C149 HydrophobicContact CG1-CB 4Å; N146-C149 HydrophobicContact CB-CB 4.42Å; N146-C149 WeakPolarHBondContact O-CA 3.3Å; N146-C149 WeakPolarHBondContact O-CB 3.44Å; N146-C149 PolarHBondContact O-N 3.16Å; E147-C149 PolarHBondContact O-N 3.18Å; E147-C149 VanDerWaalsContact O-N 3.16Å; C149-S151 VanDerWaalsContact C-N 3.29Å; C149-S151 PolarHBondContact O-N 3.23Å; C149-R152 WeakPolarHBondContact O-CB 3.49Å; C149-R152 PolarHBondContact O-N 2.74Å; C149-R152 VanDerWaalsContact O-N 3.09Å; C149-Y153 HydrophobicContact CB-CD2 4.35Å; C149-Y153 WeakPolarHBondContact O-CD2 3.35Å; C149-Y153 PolarHBondContact O-N 3.45Å
150M95.6Very high91.2Very high23 Ų2373.9 Ų73.911%0.11339%0.387CS..THydrogen-bonded Turntrans-56.5-41.8-173-71.9177.77200112.8R126 I145 N146 E147 R152 Y153 Q154 V155 P157R126-M150 HydrophobicContact CG-SD 4.26Å; I145-M150 HydrophobicContact CD1-CG 4.25Å; I145-M150 HydrophobicContact CG1-CG 4.39Å; I145-M150 HydrophobicContact CG2-CG 3.97Å; N146-M150 PolarHBondContact O-N 3.1Å; E147-M150 HydrophobicContact CB-SD 4.44Å; E147-M150 HydrophobicContact CG-SD 4.23Å; E147-M150 PolarHBondContact O-N 3.21Å; M150-R152 PolarHBondContact O-N 2.63Å; M150-Y153 CarbonylContact O-C 3.56Å; M150-Y153 PolarHBondContact O-N 3.48Å; M150-Q154 PolarHBondContact O-N 3.25Å; M150-V155 HydrophobicContact CB-CB 4.02Å; M150-V155 HydrophobicContact CE-CB 4.14Å; M150-V155 HydrophobicContact CE-CG1 3.59Å; M150-V155 HydrophobicContact CG-CB 4.18Å; M150-V155 HydrophobicContact CG-CG1 4.34Å; M150-V155 PolarHBondContact O-N 2.83Å; M150-P157 HydrophobicContact CE-CB 3.97Å; M150-P157 HydrophobicContact CE-CG 4.26Å
151S94.8Very high89.3Confident102 Ų10281.1 Ų81.171%0.71342%0.424SS*.THydrogen-bonded Turntrans-62.6-39.9178.860.70000113C149 Y153 Q154C149-S151 VanDerWaalsContact C-N 3.29Å; C149-S151 PolarHBondContact O-N 3.23Å; S151-Y153 PolarHBondContact O-N 3.07Å; S151-Q154 PolarHBondContact O-N 3.29Å; S151-Q154 VanDerWaalsContact O-N 3.13Å
152R94.6Very high87.1Confident125 Ų12584.7 Ų84.747%0.47244%0.444SS..THydrogen-bonded Turntrans-60.7-37.5177.5-173.7-169.8-50.1-176.40.3111.8E76 C149 M150E76-R152 IonicContact OE1-CZ 3.83Å; E76-R152 IonicContact OE1-NH1 2.81Å; E76-R152 PolarHBondContact OE1-NH1 2.95Å; E76-R152 IonicContact OE2-NH1 3.37Å; E76-R152 PolarHBondContact OE2-NH1 2.9Å; C149-R152 WeakPolarHBondContact O-CB 3.49Å; C149-R152 PolarHBondContact O-N 2.74Å; C149-R152 VanDerWaalsContact O-N 3.09Å; M150-R152 PolarHBondContact O-N 2.63Å
153Y93.8Very high84.4Confident87 Ų8793.3 Ų93.334%0.34150%0.499SS..THydrogen-bonded Turntrans-95.27.3-180-73.9-87.3000113.1E76 Q101 I145 C149 M150 S151 V155E76-Y153 VanDerWaalsContact CG-OH 3.3Å; E76-Y153 WeakPolarHBondContact CG-OH 3.25Å; E76-Y153 PolarHBondContact OE1-OH 3.37Å; Q101-Y153 PolarHBondContact NE2-OH 3.48Å; I145-Y153 HydrophobicContact CD1-CD2 4.01Å; I145-Y153 HydrophobicContact CD1-CG 4.14Å; C149-Y153 HydrophobicContact CB-CD2 4.35Å; C149-Y153 WeakPolarHBondContact O-CD2 3.35Å; C149-Y153 PolarHBondContact O-N 3.45Å; M150-Y153 CarbonylContact O-C 3.56Å; M150-Y153 PolarHBondContact O-N 3.48Å; S151-Y153 PolarHBondContact O-N 3.07Å; Y153-V155 PolarHBondContact O-N 3.07Å; Y153-V155 VanDerWaalsContact O-N 3.12Å
154Q95.1Very high83.7Confident171 Ų17197.2 Ų97.280%0.79952%0.519SS*.THydrogen-bonded Turntrans53.830.9-178.7-53176.126.600112.8M150 S151 I156M150-Q154 PolarHBondContact O-N 3.25Å; S151-Q154 PolarHBondContact O-N 3.29Å; S151-Q154 VanDerWaalsContact O-N 3.13Å; Q154-I156 PolarHBondContact O-N 2.79Å
155V93.3Very high82.9Confident55 Ų55102 Ų10233%0.33355%0.545SS..PPolyproline II helixtrans-75.2125.9179.7-1800000109.3I145 M150 Y153I145-V155 HydrophobicContact CD1-CB 4.49Å; I145-V155 HydrophobicContact CD1-CG2 3.69Å; M150-V155 HydrophobicContact CB-CB 4.02Å; M150-V155 HydrophobicContact CE-CB 4.14Å; M150-V155 HydrophobicContact CE-CG1 3.59Å; M150-V155 HydrophobicContact CG-CB 4.18Å; M150-V155 HydrophobicContact CG-CG1 4.34Å; M150-V155 PolarHBondContact O-N 2.83Å; Y153-V155 PolarHBondContact O-N 3.07Å; Y153-V155 VanDerWaalsContact O-N 3.12Å
156I89.6Confident82.1Confident142 Ų142107.5 Ų107.573%0.72857%0.574SS**PPolyproline II helixtrans-99.6120.5174.4-60.5169000107.8Q154 M158Q154-I156 PolarHBondContact O-N 2.79Å; I156-M158 PolarHBondContact O-N 3.25Å
157P86.4Confident81.2Confident81 Ų81113.2 Ų113.253%0.52660%0.604SS.*PPolyproline II helixtrans-63.2124.7176.222.9-28.9000109.9M150 V159M150-P157 HydrophobicContact CE-CB 3.97Å; M150-P157 HydrophobicContact CE-CG 4.26Å; P157-V159 VanDerWaalsContact C-N 3.27Å; P157-V159 PolarHBondContact O-N 2.93Å
158M77.9Confident80.3Confident186 Ų186115.1 Ų115.192%0.91662%0.618SS**SBendtrans-70.3-23.7179.3-66.4-162.5-56.100112.7I156I156-M158 PolarHBondContact O-N 3.25Å
159V67.3Low79.2Confident117 Ų117114.1 Ų114.171%0.70962%0.616SS**  trans-156.2121.2169.9177.70000109.1P157P157-V159 VanDerWaalsContact C-N 3.27Å; P157-V159 PolarHBondContact O-N 2.93Å
160S56.7Low77.9Confident99 Ų99122.2 Ų122.269%0.69266%0.66SS**  trans-78.8115.515350.70000106.4I162S160-I162 PolarHBondContact O-N 2.9Å
161L54.7Low76.5Confident165 Ų165129.8 Ų129.886%0.86470%0.703SS**  trans-51.7122.4172.7-90.2158.9000108.1T163L161-T163 PolarHBondContact O-N 2.83Å
162I49.8Very low75Confident156 Ų156132.2 Ų132.280%0.870%0.702SS**  trans-50.1129.1170.5-64167.9000107S160S160-I162 PolarHBondContact O-N 2.9Å
163T41Very low73.2Confident202 Ų202132.8 Ų132.8100%1.23972%0.723SS**  trans-44.10174.746.80000113.6L161L161-T163 PolarHBondContact O-N 2.83Å

Retrieved 163 of 163 residues in 53.9 ms (Link to these results)

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