A0A087XPU3_POEFO Loading...

Trafficking protein particle complex subunit

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession A0A087XPU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 104 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
1M81.4Confident95.5Very high176 Ų17649.1 Ų49.187%0.86724%0.236SC*.  0109.40-174.8171.673.500109D87 S89 V90M1-D87 VanDerWaalsContact CA-OD1 3.27Å; M1-D87 WeakPolarHBondContact CA-OD1 3.37Å; M1-D87 PolarHBondContact N-OD2 3.24Å; M1-S89 PolarHBondContact N-OG 2.89Å; M1-V90 HydrophobicContact CB-CG2 4.38Å; M1-V90 HydrophobicContact CG-CG2 3.68Å; M1-V90 HydrophobicContact SD-CG2 4.29Å
2T93.3Very high95.5Very high52 Ų5255.7 Ų55.732%0.31927%0.274SS..  trans-130.6123.8178.8-60.80000107.7N22 T86 D87T2-N22 HydrophobicContact CG2-CB 3.42Å; T2-N22 VanDerWaalsContact CG2-CB 3.42Å; T2-T86 CarbonylContact O-C 3.56Å; T2-T86 WeakPolarHBondContact O-CA 3.32Å; T2-D87 VanDerWaalsContact N-CG 3.35Å; T2-D87 PolarHBondContact N-OD1 3.2Å; T2-D87 PolarHBondContact O-N 3.22Å
3V96.6Very high95.4Very high43 Ų4352.8 Ų52.826%0.26127%0.267SS..EExtended strand (participates in β ladder)trans-90.6125170.6-176.40000107.9W21 N22 M84 T86V3-W21 HydrophobicContact CB-CE3 4.5Å; V3-W21 HydrophobicContact CG1-CE3 3.81Å; V3-W21 HydrophobicContact CG1-CZ3 3.8Å; V3-N22 WeakPolarHBondContact O-CB 3.47Å; V3-N22 PolarHBondContact O-ND2 3.39Å; V3-M84 HydrophobicContact CG1-CG 3.94Å; V3-M84 HydrophobicContact CG1-SD 4.12Å; V3-M84 HydrophobicContact CG2-SD 4.32Å; V3-T86 HydrophobicContact CG2-CG2 4.41Å
4H97.6Very high95.4Very high41 Ų4153.6 Ų53.619%0.1928%0.28CS..EExtended strand (participates in β ladder)trans-84.6-54.8179.9-61.9-58000110.9W21 N22 N85 D87H4-W21 PolarHBondContact O-N 2.83Å; H4-N22 PolarHBondContact ND1-O 3.42Å; H4-N22 PolarHBondContact O-N 3.29Å; H4-N22 VanDerWaalsContact O-N 3.15Å; H4-N85 HydrophobicContact CB-CB 4.07Å; H4-N85 PolarHBondContact N-O 2.89Å; H4-D87 PolarHBondContact NE2-N 3.2Å
5N97.8Very high95.6Very high3 Ų352.5 Ų52.52%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-160.8166.5178.859.813000111.8Y7 Y18 N19 E20 N85N5-Y7 PolarHBondContact ND2-OH 2.82Å; N5-Y18 HydrophobicContact CB-CE2 4.01Å; N5-Y18 PolarHBondContact ND2-OH 3.23Å; N5-N19 CarbonylContact C-O 3.55Å; N5-N19 WeakPolarHBondContact CA-O 3.39Å; N5-N19 WeakPolarHBondContact CB-O 3.31Å; N5-E20 HydrophobicContact CB-CB 4.31Å; N5-E20 HydrophobicContact CB-CG 4.29Å; N5-N85 PolarHBondContact O-N 3.02Å; N5-N85 VanDerWaalsContact OD1-CB 3.32Å; N5-N85 WeakPolarHBondContact OD1-CB 3.15Å; N5-N85 PolarHBondContact OD1-ND2 2.72Å
6L97.6Very high95.7Very high12 Ų1255.7 Ų55.76%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-134.2131.2177.3176.564.9000109.3F17 Y18 N19 W21 V83 M84 L97L6-F17 HydrophobicContact CD2-CD1 4.49Å; L6-F17 HydrophobicContact CD2-CE1 4.19Å; L6-Y18 WeakPolarHBondContact O-CA 3.4Å; L6-N19 PolarHBondContact N-O 2.88Å; L6-N19 PolarHBondContact O-N 3.19Å; L6-W21 HydrophobicContact CB-CH2 3.92Å; L6-W21 HydrophobicContact CB-CZ3 3.73Å; L6-W21 HydrophobicContact CD2-CH2 4.47Å; L6-V83 CarbonylContact C-O 3.56Å; L6-V83 WeakPolarHBondContact CA-O 3.09Å; L6-V83 WeakPolarHBondContact CD1-O 3.46Å; L6-M84 HydrophobicContact CD1-CB 4.09Å; L6-M84 HydrophobicContact CD1-CE 4.09Å; L6-L97 HydrophobicContact CD1-CD2 4.28Å
7Y98.2Very high95.8Very high3 Ų357.9 Ų57.91%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-115.4142.8168.8-49.7-105.8000109.5N5 F9 F17 Y18 E34 F35 M38 V83N5-Y7 PolarHBondContact ND2-OH 2.82Å; Y7-F9 VanDerWaalsContact CB-CE2 3.44Å; Y7-F9 HydrophobicContact CD1-CE2 4.23Å; Y7-F9 HydrophobicContact CD1-CZ 4Å; Y7-F9 HydrophobicContact CG-CE2 4.04Å; Y7-F9 HydrophobicContact CG-CZ 4.29Å; Y7-F17 CarbonylContact C-O 3.59Å; Y7-F17 WeakPolarHBondContact CA-O 3.39Å; Y7-Y18 AromaticContact CD1-CD2 3.37Å; Y7-Y18 HydrophobicContact CD1-CD2 3.37Å; Y7-Y18 AromaticContact CD1-CE2 3.78Å; Y7-Y18 HydrophobicContact CD1-CE2 3.78Å; Y7-Y18 HydrophobicContact CD1-CG 4.4Å; Y7-Y18 HydrophobicContact CD2-CD2 4.45Å; Y7-Y18 HydrophobicContact CD2-CE2 4.41Å; Y7-Y18 AromaticContact CE1-CD2 3.31Å; Y7-Y18 HydrophobicContact CE1-CD2 3.31Å; Y7-Y18 AromaticContact CE1-CE2 3.23Å; Y7-Y18 HydrophobicContact CE1-CE2 3.23Å; Y7-Y18 HydrophobicContact CE1-CG 4.41Å; Y7-Y18 HydrophobicContact CE2-CD2 4.4Å; Y7-Y18 AromaticContact CE2-CE2 3.95Å; Y7-Y18 HydrophobicContact CE2-CE2 3.95Å; Y7-Y18 AromaticContact CG-CD2 3.96Å; Y7-Y18 HydrophobicContact CG-CD2 3.96Å; Y7-Y18 HydrophobicContact CG-CE2 4.33Å; Y7-Y18 AromaticContact CZ-CD2 3.87Å; Y7-Y18 AromaticContact CZ-CE2 3.32Å; Y7-E34 PolarHBondContact OH-OE1 3.4Å; Y7-F35 HydrophobicContact CD1-CD1 4.03Å; Y7-F35 HydrophobicContact CD1-CE1 4.11Å; Y7-F35 AromaticContact CE1-CD1 3.91Å; Y7-F35 HydrophobicContact CE1-CD1 3.91Å; Y7-F35 AromaticContact CE1-CE1 3.93Å; Y7-F35 HydrophobicContact CE1-CE1 3.93Å; Y7-M38 HydrophobicContact CE2-CE 4.04Å; Y7-V83 HydrophobicContact CD2-CB 4.26Å; Y7-V83 HydrophobicContact CD2-CG1 4.39Å; Y7-V83 PolarHBondContact N-O 2.78Å; Y7-V83 PolarHBondContact O-N 3.33Å
8I97.9Very high95.9Very high26 Ų2656.7 Ų56.713%0.13329%0.292CS..EExtended strand (participates in β ladder)trans-124.6119.5167.3-51.4176.8000107.7L16 F17 K81 F82I8-L16 PolarHBondContact O-N 3.33Å; I8-F17 HydrophobicContact CB-CB 3.97Å; I8-F17 HydrophobicContact CD1-CB 3.95Å; I8-F17 HydrophobicContact CD1-CD1 3.97Å; I8-F17 HydrophobicContact CD1-CG 4.23Å; I8-F17 HydrophobicContact CG1-CB 4.06Å; I8-F17 HydrophobicContact CG1-CD1 4.15Å; I8-F17 PolarHBondContact N-O 3.42Å; I8-F17 PolarHBondContact O-N 3.45Å; I8-K81 CarbonylContact C-O 3.56Å; I8-K81 VanDerWaalsContact CA-O 3.31Å; I8-K81 WeakPolarHBondContact CA-O 3.22Å; I8-F82 HydrophobicContact CD1-CD1 3.96Å; I8-F82 HydrophobicContact CD1-CE1 3.61Å; I8-F82 HydrophobicContact CG1-CD1 3.82Å; I8-F82 HydrophobicContact CG1-CE1 3.93Å; I8-F82 HydrophobicContact CG2-CD1 4.4Å; I8-F82 HydrophobicContact CG2-CE1 4.13Å; I8-F82 HydrophobicContact CG2-CZ 4.22Å
9F98.1Very high95.9Very high0 Ų056.9 Ų56.90%029%0.294CS..EExtended strand (participates in β ladder)trans-109.6150176.1-62.1-86000111.2Y7 S14 C15 F35 M38 Y39 L42 L80 K81 V83Y7-F9 VanDerWaalsContact CB-CE2 3.44Å; Y7-F9 HydrophobicContact CD1-CE2 4.23Å; Y7-F9 HydrophobicContact CD1-CZ 4Å; Y7-F9 HydrophobicContact CG-CE2 4.04Å; Y7-F9 HydrophobicContact CG-CZ 4.29Å; F9-S14 VanDerWaalsContact CA-O 3.29Å; F9-S14 WeakPolarHBondContact CA-O 3.17Å; F9-C15 HydrophobicContact CD1-CB 3.98Å; F9-C15 HydrophobicContact CE1-CB 3.71Å; F9-F35 HydrophobicContact CE1-CB 4.21Å; F9-M38 HydrophobicContact CE2-CG 4Å; F9-M38 HydrophobicContact CZ-CB 4.16Å; F9-M38 HydrophobicContact CZ-CG 4.03Å; F9-Y39 HydrophobicContact CB-CD2 4.05Å; F9-Y39 HydrophobicContact CB-CE2 4.2Å; F9-Y39 AromaticContact CD1-CD2 3.96Å; F9-Y39 HydrophobicContact CD1-CD2 3.96Å; F9-Y39 HydrophobicContact CD2-CD2 4.43Å; F9-Y39 AromaticContact CG-CD2 3.91Å; F9-Y39 HydrophobicContact CG-CD2 3.91Å; F9-L42 HydrophobicContact CD2-CD1 4.39Å; F9-L42 HydrophobicContact CE2-CD1 4.29Å; F9-L80 WeakPolarHBondContact O-CA 3.42Å; F9-K81 HydrophobicContact CB-CB 4.26Å; F9-K81 PolarHBondContact N-O 2.58Å; F9-K81 PolarHBondContact O-N 2.86Å; F9-V83 HydrophobicContact CD2-CG2 4.16Å; F9-V83 HydrophobicContact CE2-CG2 4.21Å
10D96.7Very high96Very high28 Ų2857 Ų5715%0.1529%0.293CS..  trans-77.5-175.3167.377.9-0.2000112N12 G13 S14 L16 G79 K81D10-N12 VanDerWaalsContact C-N 3.26Å; D10-N12 PolarHBondContact O-N 2.65Å; D10-N12 WeakPolarHBondContact OD1-CA 3.35Å; D10-N12 PolarHBondContact OD1-N 2.76Å; D10-G13 PolarHBondContact OD1-N 3.12Å; D10-S14 PolarHBondContact N-O 3.01Å; D10-S14 PolarHBondContact OD1-N 2.99Å; D10-S14 WeakPolarHBondContact OD2-CB 3.31Å; D10-S14 PolarHBondContact OD2-OG 2.86Å; D10-L16 HydrophobicContact CB-CD1 3.9Å; D10-L16 HydrophobicContact CB-CD2 4.11Å; D10-L16 HydrophobicContact CB-CG 4.02Å; D10-G79 CarbonylContact C-O 3.4Å; D10-K81 PolarHBondContact O-NZ 3.29Å
11R95.3Very high96.1Very high156 Ų15660.5 Ų60.559%0.58930%0.303SS*.SBendtrans-67.7-23.9176.160.8171.353.9-167.2-4.9114.2Y39 S78 G79R11-Y39 PolarHBondContact O-OH 3.44Å; R11-Y39 VanDerWaalsContact O-OH 3.09Å; R11-S78 PolarHBondContact NE-O 3.45Å; R11-S78 VanDerWaalsContact NE-O 3.12Å; R11-S78 PolarHBondContact NH2-O 2.79Å; R11-G79 WeakPolarHBondContact CA-O 3.27Å; R11-G79 PolarHBondContact N-O 2.95Å
12N95.1Very high96.7Very high128 Ų12856.3 Ų56.368%0.68428%0.284SS*.SBendtrans-94.8-11.2-174.7-58.3-39.3000112.9D10D10-N12 VanDerWaalsContact C-N 3.26Å; D10-N12 PolarHBondContact O-N 2.65Å; D10-N12 WeakPolarHBondContact OD1-CA 3.35Å; D10-N12 PolarHBondContact OD1-N 2.76Å
13G94Very high96.8Very high18 Ų1856.3 Ų56.319%0.18628%0.278CS..SBendtrans989-178.900000115.7D10 Y39D10-G13 PolarHBondContact OD1-N 3.12Å; G13-Y39 VanDerWaalsContact CA-CD2 3.5Å; G13-Y39 VanDerWaalsContact CA-CE1 3.41Å; G13-Y39 PolarHBondContact N-OH 2.98Å
14S96.7Very high96.7Very high65 Ų6564.5 Ų64.546%0.45531%0.31SS..  trans-71.7131.2170.2-54.20000109.6F9 D10 L16F9-S14 VanDerWaalsContact CA-O 3.29Å; F9-S14 WeakPolarHBondContact CA-O 3.17Å; D10-S14 PolarHBondContact N-O 3.01Å; D10-S14 PolarHBondContact OD1-N 2.99Å; D10-S14 WeakPolarHBondContact OD2-CB 3.31Å; D10-S14 PolarHBondContact OD2-OG 2.86Å; S14-L16 PolarHBondContact O-N 2.95Å
15C97.4Very high96.6Very high36 Ų3671 Ų7124%0.24334%0.337CS..EExtended strand (participates in β ladder)trans-75.4108172.1-1690000108.6F9 F17 F35F9-C15 HydrophobicContact CD1-CB 3.98Å; F9-C15 HydrophobicContact CE1-CB 3.71Å; C15-F17 PolarHBondContact SG-O 3.16Å; C15-F35 HydrophobicContact CB-CB 4.01Å; C15-F35 HydrophobicContact CB-CD1 4.33Å; C15-F35 HydrophobicContact CB-CD2 3.54Å; C15-F35 HydrophobicContact CB-CE2 4.04Å; C15-F35 HydrophobicContact CB-CG 3.7Å
16L97Very high96.4Very high104 Ų10475.7 Ų75.755%0.54536%0.359SS..EExtended strand (participates in β ladder)trans-80.8-33.8178.7-60-179.3000111.5I8 D10 S14 L80I8-L16 PolarHBondContact O-N 3.33Å; D10-L16 HydrophobicContact CB-CD1 3.9Å; D10-L16 HydrophobicContact CB-CD2 4.11Å; D10-L16 HydrophobicContact CB-CG 4.02Å; S14-L16 PolarHBondContact O-N 2.95Å; L16-L80 HydrophobicContact CD1-CD2 3.73Å
17F97.3Very high96.3Very high93 Ų9377.4 Ų77.441%0.40838%0.375SS..EExtended strand (participates in β ladder)trans-149.6138.5-178.6-179.3-97.6000110.7L6 Y7 I8 C15 N19L6-F17 HydrophobicContact CD2-CD1 4.49Å; L6-F17 HydrophobicContact CD2-CE1 4.19Å; Y7-F17 CarbonylContact C-O 3.59Å; Y7-F17 WeakPolarHBondContact CA-O 3.39Å; I8-F17 HydrophobicContact CB-CB 3.97Å; I8-F17 HydrophobicContact CD1-CB 3.95Å; I8-F17 HydrophobicContact CD1-CD1 3.97Å; I8-F17 HydrophobicContact CD1-CG 4.23Å; I8-F17 HydrophobicContact CG1-CB 4.06Å; I8-F17 HydrophobicContact CG1-CD1 4.15Å; I8-F17 PolarHBondContact N-O 3.42Å; I8-F17 PolarHBondContact O-N 3.45Å; C15-F17 PolarHBondContact SG-O 3.16Å; F17-N19 HydrophobicContact CE1-CB 3.57Å; F17-N19 HydrophobicContact CZ-CB 3.58Å
18Y97.6Very high96.1Very high36 Ų3681 Ų8114%0.14141%0.414CS..EExtended strand (participates in β ladder)trans-137.8129.6170.6177-111.9000109.5N5 L6 Y7 E20 R23 F35N5-Y18 HydrophobicContact CB-CE2 4.01Å; N5-Y18 PolarHBondContact ND2-OH 3.23Å; L6-Y18 WeakPolarHBondContact O-CA 3.4Å; Y7-Y18 AromaticContact CD1-CD2 3.37Å; Y7-Y18 HydrophobicContact CD1-CD2 3.37Å; Y7-Y18 AromaticContact CD1-CE2 3.78Å; Y7-Y18 HydrophobicContact CD1-CE2 3.78Å; Y7-Y18 HydrophobicContact CD1-CG 4.4Å; Y7-Y18 HydrophobicContact CD2-CD2 4.45Å; Y7-Y18 HydrophobicContact CD2-CE2 4.41Å; Y7-Y18 AromaticContact CE1-CD2 3.31Å; Y7-Y18 HydrophobicContact CE1-CD2 3.31Å; Y7-Y18 AromaticContact CE1-CE2 3.23Å; Y7-Y18 HydrophobicContact CE1-CE2 3.23Å; Y7-Y18 HydrophobicContact CE1-CG 4.41Å; Y7-Y18 HydrophobicContact CE2-CD2 4.4Å; Y7-Y18 AromaticContact CE2-CE2 3.95Å; Y7-Y18 HydrophobicContact CE2-CE2 3.95Å; Y7-Y18 AromaticContact CG-CD2 3.96Å; Y7-Y18 HydrophobicContact CG-CD2 3.96Å; Y7-Y18 HydrophobicContact CG-CE2 4.33Å; Y7-Y18 AromaticContact CZ-CD2 3.87Å; Y7-Y18 AromaticContact CZ-CE2 3.32Å; Y18-E20 HydrophobicContact CE1-CB 4.03Å; Y18-E20 PolarHBondContact OH-OE2 3.39Å; Y18-R23 PolarHBondContact OH-NH1 3.11Å; Y18-R23 VanDerWaalsContact OH-NH1 3.1Å; Y18-F35 HydrophobicContact CD1-CE1 4.1Å; Y18-F35 HydrophobicContact CD1-CZ 4.06Å; Y18-F35 AromaticContact CD2-CE1 3.92Å; Y18-F35 HydrophobicContact CD2-CE1 3.92Å; Y18-F35 AromaticContact CG-CE1 3.65Å; Y18-F35 HydrophobicContact CG-CE1 3.65Å; Y18-F35 AromaticContact CG-CZ 3.82Å; Y18-F35 HydrophobicContact CG-CZ 3.82Å
19N97.3Very high96.1Very high61 Ų6183.6 Ų83.633%0.32643%0.427SS..EExtended strand (participates in β ladder)trans-137.8146.6168.2-161.516.9000111.6N5 L6 F17 W21N5-N19 CarbonylContact C-O 3.55Å; N5-N19 WeakPolarHBondContact CA-O 3.39Å; N5-N19 WeakPolarHBondContact CB-O 3.31Å; L6-N19 PolarHBondContact N-O 2.88Å; L6-N19 PolarHBondContact O-N 3.19Å; F17-N19 HydrophobicContact CE1-CB 3.57Å; F17-N19 HydrophobicContact CZ-CB 3.58Å; N19-W21 HydrophobicContact CB-CH2 3.97Å; N19-W21 HydrophobicContact CB-CZ2 4.13Å; N19-W21 HydrophobicContact CB-CZ3 4.36Å; N19-W21 VanDerWaalsContact ND2-CE2 3.33Å; N19-W21 WeakPolarHBondContact ND2-CZ2 3.46Å
20E97.2Very high96Very high58 Ų5886.2 Ų86.227%0.27145%0.445SS..EExtended strand (participates in β ladder)trans-131.6133.8-174.6-172179.6117.700109.7N5 Y18 R23 Q26N5-E20 HydrophobicContact CB-CB 4.31Å; N5-E20 HydrophobicContact CB-CG 4.29Å; Y18-E20 HydrophobicContact CE1-CB 4.03Å; Y18-E20 PolarHBondContact OH-OE2 3.39Å; E20-R23 HydrophobicContact CG-CB 3.57Å; E20-R23 WeakPolarHBondContact OE2-CD 3.46Å; E20-R23 IonicContact OE2-NH1 3.45Å; E20-Q26 PolarHBondContact OE1-NE2 2.86Å
21W97Very high95.9Very high132 Ų13291.2 Ų91.250%0.547%0.466SS..SBendtrans-121.9-61.9179.4-61.2-87.7000111.6V3 H4 L6 N19V3-W21 HydrophobicContact CB-CE3 4.5Å; V3-W21 HydrophobicContact CG1-CE3 3.81Å; V3-W21 HydrophobicContact CG1-CZ3 3.8Å; H4-W21 PolarHBondContact O-N 2.83Å; L6-W21 HydrophobicContact CB-CH2 3.92Å; L6-W21 HydrophobicContact CB-CZ3 3.73Å; L6-W21 HydrophobicContact CD2-CH2 4.47Å; N19-W21 HydrophobicContact CB-CH2 3.97Å; N19-W21 HydrophobicContact CB-CZ2 4.13Å; N19-W21 HydrophobicContact CB-CZ3 4.36Å; N19-W21 VanDerWaalsContact ND2-CE2 3.33Å; N19-W21 WeakPolarHBondContact ND2-CZ2 3.46Å
22N95.8Very high95.9Very high87 Ų8789.1 Ų89.147%0.46547%0.466SS..SBendtrans-120.444.9-169.5-63.3-77.5000112.7T2 V3 H4T2-N22 HydrophobicContact CG2-CB 3.42Å; T2-N22 VanDerWaalsContact CG2-CB 3.42Å; V3-N22 WeakPolarHBondContact O-CB 3.47Å; V3-N22 PolarHBondContact O-ND2 3.39Å; H4-N22 PolarHBondContact ND1-O 3.42Å; H4-N22 PolarHBondContact O-N 3.29Å; H4-N22 VanDerWaalsContact O-N 3.15Å
23R94.9Very high96.1Very high52 Ų5287.9 Ų87.920%0.19646%0.456CS..  trans-97106.1179-171.9-172-177.2173.5-1.6111.2Y18 E20 K25 E34Y18-R23 PolarHBondContact OH-NH1 3.11Å; Y18-R23 VanDerWaalsContact OH-NH1 3.1Å; E20-R23 HydrophobicContact CG-CB 3.57Å; E20-R23 WeakPolarHBondContact OE2-CD 3.46Å; E20-R23 IonicContact OE2-NH1 3.45Å; R23-K25 WeakPolarHBondContact CG-O 3.08Å; R23-K25 PolarHBondContact NE-O 3.49Å; R23-E34 IonicContact CZ-OE1 2.77Å; R23-E34 IonicContact CZ-OE2 2.66Å; R23-E34 VanDerWaalsContact NH1-CD 3.27Å; R23-E34 IonicContact NH1-OE1 3.01Å; R23-E34 PolarHBondContact NH1-OE1 2.8Å; R23-E34 IonicContact NH1-OE2 2.98Å; R23-E34 PolarHBondContact NH1-OE2 3.4Å; R23-E34 VanDerWaalsContact NH2-CD 3.33Å; R23-E34 IonicContact NH2-OE1 3.51Å; R23-E34 PolarHBondContact NH2-OE1 3.09Å; R23-E34 IonicContact NH2-OE2 2.98Å; R23-E34 PolarHBondContact NH2-OE2 3.18Å
24K94.2Very high96.2Very high215 Ų21587.7 Ų87.794%0.93545%0.451SS*.  trans-79.8-24.7179.8-62.5-174.2179.7-1770114.1
25K94.8Very high96.3Very high177 Ų17786 Ų8677%0.7744%0.435SS*.SBendtrans-117.1112.7-177.6-177.4178178.3-179.20110.5R23R23-K25 WeakPolarHBondContact CG-O 3.08Å; R23-K25 PolarHBondContact NE-O 3.49Å
26Q95.3Very high96.3Very high102 Ų10291.7 Ų91.748%0.47746%0.455SS..  trans-80.2156.2173.5-60.9-57.9-20.500111.4E20 G28E20-Q26 PolarHBondContact OE1-NE2 2.86Å; Q26-G28 VanDerWaalsContact C-N 3.3Å; Q26-G28 PolarHBondContact O-N 3.49Å
27A93.7Very high96.3Very high48 Ų4892.2 Ų92.240%0.39746%0.458SS..  trans-72.6-20.8-177.900000113.8I29 E34A27-I29 VanDerWaalsContact C-N 3.26Å; A27-I29 HydrophobicContact CB-CD1 4.31Å; A27-I29 HydrophobicContact CB-CG1 3.78Å; A27-I29 PolarHBondContact O-N 3.25Å; A27-E34 HydrophobicContact CB-CG 4.31Å; A27-E34 WeakPolarHBondContact CB-OE2 3.24Å
28G95.6Very high96.3Very high79 Ų7989.1 Ų89.181%0.81445%0.446SS*.SBendtrans74.715.8-177.300000114.1Q26Q26-G28 VanDerWaalsContact C-N 3.3Å; Q26-G28 PolarHBondContact O-N 3.49Å
29I96.6Very high96.3Very high81 Ų8189.3 Ų89.342%0.41545%0.446SS..SBendtrans-127.1170.3175.659.3178.5000109.4A27 E33 E34 L37A27-I29 VanDerWaalsContact C-N 3.26Å; A27-I29 HydrophobicContact CB-CD1 4.31Å; A27-I29 HydrophobicContact CB-CG1 3.78Å; A27-I29 PolarHBondContact O-N 3.25Å; I29-E33 HydrophobicContact CB-CB 4.3Å; I29-E33 HydrophobicContact CD1-CB 3.94Å; I29-E33 HydrophobicContact CG1-CB 4.32Å; I29-E34 HydrophobicContact CD1-CB 4.12Å; I29-E34 HydrophobicContact CG1-CB 4.23Å; I29-L37 HydrophobicContact CD1-CD2 4.29Å
30S97.1Very high96.3Very high55 Ų5588 Ų8839%0.38545%0.447SS..  trans-63.3154.5174.6680000111.3D32 E33 E34S30-D32 VanDerWaalsContact C-N 3.26Å; S30-D32 PolarHBondContact O-N 2.94Å; S30-E33 WeakPolarHBondContact CB-OE2 3.44Å; S30-E33 PolarHBondContact N-OE2 2.89Å; S30-E33 VanDerWaalsContact N-OE2 3.13Å; S30-E33 PolarHBondContact O-N 3.46Å; S30-E33 WeakPolarHBondContact OG-CB 3.31Å; S30-E33 VanDerWaalsContact OG-CD 3.23Å; S30-E33 WeakPolarHBondContact OG-CG 3.49Å; S30-E33 PolarHBondContact OG-N 3.45Å; S30-E33 PolarHBondContact OG-OE2 3.08Å; S30-E34 PolarHBondContact O-N 3.47Å
31K94.8Very high96.3Very high133 Ų13388.4 Ų88.458%0.57845%0.45SS*.Hα-helixtrans-59.4-38.8177.9-73.9-169.7178.3-179.60112E33 E34 F35K31-E33 VanDerWaalsContact C-N 3.34Å; K31-E33 PolarHBondContact O-N 3.17Å; K31-E34 WeakPolarHBondContact O-CB 3.26Å; K31-E34 PolarHBondContact O-N 3.5Å; K31-F35 HydrophobicContact CB-CE2 4.14Å; K31-F35 HydrophobicContact CB-CZ 4.02Å; K31-F35 HydrophobicContact CD-CZ 4.48Å; K31-F35 WeakPolarHBondContact O-CD1 3.32Å; K31-F35 WeakPolarHBondContact O-CD2 3.42Å; K31-F35 WeakPolarHBondContact O-CG 3.41Å; K31-F35 PolarHBondContact O-N 3.38Å
32D95.6Very high96.3Very high111 Ų11182.2 Ų82.259%0.59443%0.426SS*.Hα-helixtrans-64.7-38.9179.8-64.4-28.4000112.2S30 K36S30-D32 VanDerWaalsContact C-N 3.26Å; S30-D32 PolarHBondContact O-N 2.94Å; D32-K36 WeakPolarHBondContact O-CG 3.27Å; D32-K36 PolarHBondContact O-N 2.99Å; D32-K36 VanDerWaalsContact O-N 3.14Å
33E97.6Very high96.2Very high103 Ų10384 Ų8448%0.48143%0.43SS..Hα-helixtrans-68.5-39.1173.4-70.6167.713900111.6I29 S30 K31 F35 K36 L37I29-E33 HydrophobicContact CB-CB 4.3Å; I29-E33 HydrophobicContact CD1-CB 3.94Å; I29-E33 HydrophobicContact CG1-CB 4.32Å; S30-E33 WeakPolarHBondContact CB-OE2 3.44Å; S30-E33 PolarHBondContact N-OE2 2.89Å; S30-E33 VanDerWaalsContact N-OE2 3.13Å; S30-E33 PolarHBondContact O-N 3.46Å; S30-E33 WeakPolarHBondContact OG-CB 3.31Å; S30-E33 VanDerWaalsContact OG-CD 3.23Å; S30-E33 WeakPolarHBondContact OG-CG 3.49Å; S30-E33 PolarHBondContact OG-N 3.45Å; S30-E33 PolarHBondContact OG-OE2 3.08Å; K31-E33 VanDerWaalsContact C-N 3.34Å; K31-E33 PolarHBondContact O-N 3.17Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 3.02Å; E33-K36 PolarHBondContact O-N 3.44Å; E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 PolarHBondContact O-N 3.34Å
34E97.3Very high96.3Very high14 Ų1485 Ų857%0.06545%0.445CS..Hα-helixtrans-61.5-42.5175-172.1-177.1123.300111.8Y7 R23 A27 I29 S30 K31 L37 M38Y7-E34 PolarHBondContact OH-OE1 3.4Å; R23-E34 IonicContact CZ-OE1 2.77Å; R23-E34 IonicContact CZ-OE2 2.66Å; R23-E34 VanDerWaalsContact NH1-CD 3.27Å; R23-E34 IonicContact NH1-OE1 3.01Å; R23-E34 PolarHBondContact NH1-OE1 2.8Å; R23-E34 IonicContact NH1-OE2 2.98Å; R23-E34 PolarHBondContact NH1-OE2 3.4Å; R23-E34 VanDerWaalsContact NH2-CD 3.33Å; R23-E34 IonicContact NH2-OE1 3.51Å; R23-E34 PolarHBondContact NH2-OE1 3.09Å; R23-E34 IonicContact NH2-OE2 2.98Å; R23-E34 PolarHBondContact NH2-OE2 3.18Å; A27-E34 HydrophobicContact CB-CG 4.31Å; A27-E34 WeakPolarHBondContact CB-OE2 3.24Å; I29-E34 HydrophobicContact CD1-CB 4.12Å; I29-E34 HydrophobicContact CG1-CB 4.23Å; S30-E34 PolarHBondContact O-N 3.47Å; K31-E34 WeakPolarHBondContact O-CB 3.26Å; K31-E34 PolarHBondContact O-N 3.5Å; E34-L37 PolarHBondContact O-N 2.92Å; E34-M38 WeakPolarHBondContact O-CB 3.46Å; E34-M38 PolarHBondContact O-N 2.86Å
35F97.8Very high96.5Very high30 Ų3076.3 Ų76.313%0.13241%0.409CS..Hα-helixtrans-62.7-43.4177.4-61.7-21.2000111.7Y7 F9 C15 Y18 K31 E33 M38 Y39Y7-F35 HydrophobicContact CD1-CD1 4.03Å; Y7-F35 HydrophobicContact CD1-CE1 4.11Å; Y7-F35 AromaticContact CE1-CD1 3.91Å; Y7-F35 HydrophobicContact CE1-CD1 3.91Å; Y7-F35 AromaticContact CE1-CE1 3.93Å; Y7-F35 HydrophobicContact CE1-CE1 3.93Å; F9-F35 HydrophobicContact CE1-CB 4.21Å; C15-F35 HydrophobicContact CB-CB 4.01Å; C15-F35 HydrophobicContact CB-CD1 4.33Å; C15-F35 HydrophobicContact CB-CD2 3.54Å; C15-F35 HydrophobicContact CB-CE2 4.04Å; C15-F35 HydrophobicContact CB-CG 3.7Å; Y18-F35 HydrophobicContact CD1-CE1 4.1Å; Y18-F35 HydrophobicContact CD1-CZ 4.06Å; Y18-F35 AromaticContact CD2-CE1 3.92Å; Y18-F35 HydrophobicContact CD2-CE1 3.92Å; Y18-F35 AromaticContact CG-CE1 3.65Å; Y18-F35 HydrophobicContact CG-CE1 3.65Å; Y18-F35 AromaticContact CG-CZ 3.82Å; Y18-F35 HydrophobicContact CG-CZ 3.82Å; K31-F35 HydrophobicContact CB-CE2 4.14Å; K31-F35 HydrophobicContact CB-CZ 4.02Å; K31-F35 HydrophobicContact CD-CZ 4.48Å; K31-F35 WeakPolarHBondContact O-CD1 3.32Å; K31-F35 WeakPolarHBondContact O-CD2 3.42Å; K31-F35 WeakPolarHBondContact O-CG 3.41Å; K31-F35 PolarHBondContact O-N 3.38Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 3.02Å; F35-M38 PolarHBondContact O-N 3.39Å; F35-Y39 WeakPolarHBondContact O-CB 3.42Å; F35-Y39 PolarHBondContact O-N 3.1Å
36K97.2Very high96.4Very high154 Ų15471.6 Ų71.667%0.6739%0.386SS*.Hα-helixtrans-62.7-43.2174.6-70.8171.3-173.8174.70111.7D32 E33 Y39 G40D32-K36 WeakPolarHBondContact O-CG 3.27Å; D32-K36 PolarHBondContact O-N 2.99Å; D32-K36 VanDerWaalsContact O-N 3.14Å; E33-K36 PolarHBondContact O-N 3.44Å; K36-Y39 PolarHBondContact O-N 2.66Å; K36-G40 PolarHBondContact O-N 3.28Å
37L97.8Very high96.4Very high116 Ų11668.9 Ų68.961%0.60738%0.378SS*.Hα-helixtrans-62.2-48177.7-179.864.9000111.3I29 E33 E34 G40 M41I29-L37 HydrophobicContact CD1-CD2 4.29Å; E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 PolarHBondContact O-N 3.34Å; E34-L37 PolarHBondContact O-N 2.92Å; L37-G40 PolarHBondContact O-N 2.98Å; L37-M41 WeakPolarHBondContact O-CB 3.44Å; L37-M41 PolarHBondContact O-N 3.04Å
38M97.3Very high96.5Very high28 Ų2872.4 Ų72.414%0.13839%0.385CS..Hα-helixtrans-60.4-48177.6-176.560.667.800111Y7 F9 E34 F35 M41 L42 L71 V83Y7-M38 HydrophobicContact CE2-CE 4.04Å; F9-M38 HydrophobicContact CE2-CG 4Å; F9-M38 HydrophobicContact CZ-CB 4.16Å; F9-M38 HydrophobicContact CZ-CG 4.03Å; E34-M38 WeakPolarHBondContact O-CB 3.46Å; E34-M38 PolarHBondContact O-N 2.86Å; F35-M38 PolarHBondContact O-N 3.39Å; M38-M41 WeakPolarHBondContact O-CB 3.21Å; M38-M41 PolarHBondContact O-N 3.5Å; M38-L42 HydrophobicContact CG-CD1 4.28Å; M38-L42 WeakPolarHBondContact O-CG 3.45Å; M38-L42 PolarHBondContact O-N 3.13Å; M38-L71 HydrophobicContact SD-CD1 4.05Å; M38-V83 HydrophobicContact SD-CG1 4.45Å
39Y97.2Very high96.5Very high39 Ų3970.2 Ų70.215%0.15336%0.355CS..Hα-helixtrans-65.1-42.5179.3-169-99.4000112.5F9 R11 G13 F35 K36 M41 L42 F43 K81F9-Y39 HydrophobicContact CB-CD2 4.05Å; F9-Y39 HydrophobicContact CB-CE2 4.2Å; F9-Y39 AromaticContact CD1-CD2 3.96Å; F9-Y39 HydrophobicContact CD1-CD2 3.96Å; F9-Y39 HydrophobicContact CD2-CD2 4.43Å; F9-Y39 AromaticContact CG-CD2 3.91Å; F9-Y39 HydrophobicContact CG-CD2 3.91Å; R11-Y39 PolarHBondContact O-OH 3.44Å; R11-Y39 VanDerWaalsContact O-OH 3.09Å; G13-Y39 VanDerWaalsContact CA-CD2 3.5Å; G13-Y39 VanDerWaalsContact CA-CE1 3.41Å; G13-Y39 PolarHBondContact N-OH 2.98Å; F35-Y39 WeakPolarHBondContact O-CB 3.42Å; F35-Y39 PolarHBondContact O-N 3.1Å; K36-Y39 PolarHBondContact O-N 2.66Å; Y39-M41 VanDerWaalsContact C-N 3.29Å; Y39-M41 PolarHBondContact O-N 3.33Å; Y39-L42 PolarHBondContact O-N 3.15Å; Y39-F43 WeakPolarHBondContact O-CB 3.37Å; Y39-F43 PolarHBondContact O-N 3.34Å; Y39-K81 HydrophobicContact CE2-CD 3.77Å; Y39-K81 PolarHBondContact OH-NZ 3.41Å
40G97.4Very high96.3Very high33 Ų3370.5 Ų70.534%0.3437%0.365SS..Hα-helixtrans-61.2-38.2175.800000112.7K36 L37 F43 S44K36-G40 PolarHBondContact O-N 3.28Å; L37-G40 PolarHBondContact O-N 2.98Å; G40-F43 PolarHBondContact O-N 3.16Å; G40-S44 WeakPolarHBondContact O-CB 3.25Å; G40-S44 PolarHBondContact O-N 3.5Å; G40-S44 PolarHBondContact O-OG 3.09Å
41M97.1Very high96.2Very high68 Ų6875.7 Ų75.734%0.33538%0.38SS..Hα-helixtrans-64-46.4173.5-178.5-88.6171.700111.6L37 M38 Y39 F43 S44 I45 F64L37-M41 WeakPolarHBondContact O-CB 3.44Å; L37-M41 PolarHBondContact O-N 3.04Å; M38-M41 WeakPolarHBondContact O-CB 3.21Å; M38-M41 PolarHBondContact O-N 3.5Å; Y39-M41 VanDerWaalsContact C-N 3.29Å; Y39-M41 PolarHBondContact O-N 3.33Å; M41-F43 PolarHBondContact O-N 2.88Å; M41-S44 PolarHBondContact O-N 3.28Å; M41-I45 HydrophobicContact CE-CD1 3.81Å; M41-I45 PolarHBondContact O-N 2.91Å; M41-F64 HydrophobicContact CE-CD1 3.75Å; M41-F64 HydrophobicContact CE-CE1 3.17Å; M41-F64 HydrophobicContact CE-CZ 3.83Å; M41-F64 HydrophobicContact SD-CE1 4.08Å
42L96.6Very high96.3Very high1 Ų175.6 Ų75.61%0.00538%0.384CS..Hα-helixtrans-63.9-39.9176.8-67.3168.5000112.5F9 M38 Y39 S44 I45 R46 F61 L71 Y73 V83F9-L42 HydrophobicContact CD2-CD1 4.39Å; F9-L42 HydrophobicContact CE2-CD1 4.29Å; M38-L42 HydrophobicContact CG-CD1 4.28Å; M38-L42 WeakPolarHBondContact O-CG 3.45Å; M38-L42 PolarHBondContact O-N 3.13Å; Y39-L42 PolarHBondContact O-N 3.15Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-I45 WeakPolarHBondContact O-CG2 3.4Å; L42-R46 WeakPolarHBondContact O-CB 3.33Å; L42-R46 WeakPolarHBondContact O-CD 3.36Å; L42-R46 WeakPolarHBondContact O-CG 3.37Å; L42-R46 PolarHBondContact O-N 2.67Å; L42-R46 VanDerWaalsContact O-N 3.08Å; L42-F61 HydrophobicContact CD2-CE1 4.25Å; L42-L71 HydrophobicContact CD2-CD2 4.38Å; L42-Y73 HydrophobicContact CD1-CE2 4.33Å; L42-Y73 HydrophobicContact CD2-CD2 3.74Å; L42-Y73 HydrophobicContact CD2-CE2 4.07Å; L42-V83 HydrophobicContact CD1-CG2 3.48Å; L42-V83 VanDerWaalsContact CD1-CG2 3.48Å
43F95.4Very high96.2Very high124 Ų12472.1 Ų72.154%0.54437%0.368SS..Hα-helixtrans-61.3-46.3175.1-176.8-93.4000111Y39 G40 M41 S47Y39-F43 WeakPolarHBondContact O-CB 3.37Å; Y39-F43 PolarHBondContact O-N 3.34Å; G40-F43 PolarHBondContact O-N 3.16Å; M41-F43 PolarHBondContact O-N 2.88Å; F43-S47 PolarHBondContact O-N 2.99Å; F43-S47 VanDerWaalsContact O-N 3.16Å
44S97.1Very high96Very high73 Ų7373.3 Ų73.351%0.5139%0.385SS..Hα-helixtrans-64.8-45.5179.6-57.90000112G40 M41 L42 R46 S47 F48G40-S44 WeakPolarHBondContact O-CB 3.25Å; G40-S44 PolarHBondContact O-N 3.5Å; G40-S44 PolarHBondContact O-OG 3.09Å; M41-S44 PolarHBondContact O-N 3.28Å; L42-S44 VanDerWaalsContact C-N 3.34Å; S44-R46 PolarHBondContact O-N 3.32Å; S44-S47 PolarHBondContact O-N 2.97Å; S44-F48 VanDerWaalsContact O-CB 3.3Å; S44-F48 WeakPolarHBondContact O-CB 3.02Å; S44-F48 PolarHBondContact O-N 2.89Å
45I96.6Very high95.8Very high33 Ų3380 Ų8017%0.16942%0.416CS..Hα-helixtrans-68.5-35.6-177.7-154.7165.8000112M41 L42 F48 V49 F61 F64M41-I45 HydrophobicContact CE-CD1 3.81Å; M41-I45 PolarHBondContact O-N 2.91Å; L42-I45 WeakPolarHBondContact O-CG2 3.4Å; I45-F48 PolarHBondContact O-N 2.8Å; I45-V49 HydrophobicContact CG1-CG2 4.32Å; I45-V49 VanDerWaalsContact O-CB 3.32Å; I45-V49 WeakPolarHBondContact O-CB 3.09Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.47Å; I45-V49 PolarHBondContact O-N 2.86Å; I45-F61 HydrophobicContact CD1-CD2 4Å; I45-F61 HydrophobicContact CD1-CE2 3.57Å; I45-F61 HydrophobicContact CD1-CZ 3.97Å; I45-F61 HydrophobicContact CG1-CD2 4.11Å; I45-F61 HydrophobicContact CG1-CE2 4.19Å; I45-F61 HydrophobicContact CG2-CD1 3.75Å; I45-F61 HydrophobicContact CG2-CD2 4.17Å; I45-F61 HydrophobicContact CG2-CE1 3.95Å; I45-F61 HydrophobicContact CG2-CE2 4.37Å; I45-F61 HydrophobicContact CG2-CG 3.89Å; I45-F61 HydrophobicContact CG2-CZ 4.29Å; I45-F64 HydrophobicContact CD1-CD1 4.11Å
46R94.1Very high95.4Very high79 Ų7986.7 Ų86.730%0.29845%0.453SS..Hα-helixtrans-63.1-46.7174.2-73.5169.475.5-122.8-0.6111.3L42 S44 F48 V49 S50 F61 Y73 E75L42-R46 WeakPolarHBondContact O-CB 3.33Å; L42-R46 WeakPolarHBondContact O-CD 3.36Å; L42-R46 WeakPolarHBondContact O-CG 3.37Å; L42-R46 PolarHBondContact O-N 2.67Å; L42-R46 VanDerWaalsContact O-N 3.08Å; S44-R46 PolarHBondContact O-N 3.32Å; R46-F48 VanDerWaalsContact C-N 3.34Å; R46-F48 PolarHBondContact O-N 2.88Å; R46-V49 PolarHBondContact O-N 2.87Å; R46-S50 WeakPolarHBondContact O-CB 3.37Å; R46-S50 PolarHBondContact O-N 3.38Å; R46-F61 HydrophobicContact CG-CB 4.31Å; R46-Y73 VanDerWaalsContact CD-OH 3.27Å; R46-Y73 WeakPolarHBondContact CD-OH 3.33Å; R46-Y73 PolarHBondContact NE-OH 2.86Å; R46-E75 IonicContact CZ-OE1 3.66Å; R46-E75 IonicContact CZ-OE2 3.5Å; R46-E75 IonicContact NE-OE1 2.72Å; R46-E75 IonicContact NE-OE2 2.73Å; R46-E75 PolarHBondContact NE-OE2 3.24Å; R46-E75 IonicContact NH1-OE1 3.33Å; R46-E75 IonicContact NH2-OE1 3.53Å; R46-E75 PolarHBondContact NH2-OE1 2.87Å; R46-E75 IonicContact NH2-OE2 3.4Å; R46-E75 PolarHBondContact NH2-OE2 2.88Å
47S94.8Very high94.8Very high45 Ų4583.2 Ų83.232%0.31544%0.441SS..Hα-helixtrans-62.1-42.9176.3-1710000111.6F43 S44 K51F43-S47 PolarHBondContact O-N 2.99Å; F43-S47 VanDerWaalsContact O-N 3.16Å; S44-S47 PolarHBondContact O-N 2.97Å; S47-K51 WeakPolarHBondContact O-CG 3.29Å; S47-K51 PolarHBondContact O-N 3.26Å; S47-K51 VanDerWaalsContact O-N 3.15Å
48F95.9Very high94Very high121 Ų12187 Ų8753%0.53145%0.452SS..Hα-helixtrans-60.8-53.6177.1176.9-98.6000111.8S44 I45 R46 S50 K51 M52S44-F48 VanDerWaalsContact O-CB 3.3Å; S44-F48 WeakPolarHBondContact O-CB 3.02Å; S44-F48 PolarHBondContact O-N 2.89Å; I45-F48 PolarHBondContact O-N 2.8Å; R46-F48 VanDerWaalsContact C-N 3.34Å; R46-F48 PolarHBondContact O-N 2.88Å; F48-S50 VanDerWaalsContact C-N 3.33Å; F48-S50 PolarHBondContact O-N 2.98Å; F48-K51 PolarHBondContact O-N 3.41Å; F48-K51 VanDerWaalsContact O-N 3.13Å; F48-M52 HydrophobicContact CD1-CG 4.37Å; F48-M52 HydrophobicContact CD2-CG 3.88Å; F48-M52 HydrophobicContact CE1-CG 4.11Å; F48-M52 HydrophobicContact CE2-CE 4.02Å; F48-M52 HydrophobicContact CE2-CG 3.6Å; F48-M52 HydrophobicContact CE2-SD 4.3Å; F48-M52 HydrophobicContact CG-CG 4.27Å; F48-M52 HydrophobicContact CZ-CE 4.08Å; F48-M52 HydrophobicContact CZ-CG 3.73Å; F48-M52 WeakPolarHBondContact O-CB 3.31Å; F48-M52 VanDerWaalsContact O-CG 3.25Å; F48-M52 WeakPolarHBondContact O-CG 3.47Å; F48-M52 PolarHBondContact O-N 2.86Å
49V95.3Very high93.3Very high33 Ų3389.7 Ų89.720%0.247%0.467CS..Hα-helixtrans-61-41.8-178.9166.70000111.3I45 R46 K51 M52 S53 M57 F61I45-V49 HydrophobicContact CG1-CG2 4.32Å; I45-V49 VanDerWaalsContact O-CB 3.32Å; I45-V49 WeakPolarHBondContact O-CB 3.09Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.47Å; I45-V49 PolarHBondContact O-N 2.86Å; R46-V49 PolarHBondContact O-N 2.87Å; V49-K51 VanDerWaalsContact C-N 3.29Å; V49-K51 PolarHBondContact O-N 3.47Å; V49-M52 PolarHBondContact O-N 3.08Å; V49-S53 WeakPolarHBondContact O-CB 3.31Å; V49-S53 PolarHBondContact O-N 2.98Å; V49-M57 HydrophobicContact CG1-CE 3.42Å; V49-M57 VanDerWaalsContact CG1-CE 3.42Å; V49-M57 HydrophobicContact CG1-SD 3.39Å; V49-M57 WeakPolarHBondContact CG1-SD 3.29Å; V49-F61 HydrophobicContact CG2-CB 4.41Å; V49-F61 HydrophobicContact CG2-CD2 4.3Å
50S93.3Very high92.9Very high88 Ų8889.2 Ų89.262%0.61547%0.474SS*.Hα-helixtrans-62.7-32.5176.5178.70000113.5R46 F48R46-S50 WeakPolarHBondContact O-CB 3.37Å; R46-S50 PolarHBondContact O-N 3.38Å; F48-S50 VanDerWaalsContact C-N 3.33Å; F48-S50 PolarHBondContact O-N 2.98Å
51K94.6Very high92.8Very high163 Ų16388.3 Ų88.371%0.70946%0.461SS*.Hα-helixtrans-87.7-28.7-179.2-71.3174.5-178.3177.10113.4S47 F48 V49S47-K51 WeakPolarHBondContact O-CG 3.29Å; S47-K51 PolarHBondContact O-N 3.26Å; S47-K51 VanDerWaalsContact O-N 3.15Å; F48-K51 PolarHBondContact O-N 3.41Å; F48-K51 VanDerWaalsContact O-N 3.13Å; V49-K51 VanDerWaalsContact C-N 3.29Å; V49-K51 PolarHBondContact O-N 3.47Å
52M95.6Very high92.6Very high131 Ų13189.1 Ų89.165%0.64547%0.466SS*.Hα-helixtrans-92.1-14.5-177.1-63.2-63.3-92.200112.8F48 V49F48-M52 HydrophobicContact CD1-CG 4.37Å; F48-M52 HydrophobicContact CD2-CG 3.88Å; F48-M52 HydrophobicContact CE1-CG 4.11Å; F48-M52 HydrophobicContact CE2-CE 4.02Å; F48-M52 HydrophobicContact CE2-CG 3.6Å; F48-M52 HydrophobicContact CE2-SD 4.3Å; F48-M52 HydrophobicContact CG-CG 4.27Å; F48-M52 HydrophobicContact CZ-CE 4.08Å; F48-M52 HydrophobicContact CZ-CG 3.73Å; F48-M52 WeakPolarHBondContact O-CB 3.31Å; F48-M52 VanDerWaalsContact O-CG 3.25Å; F48-M52 WeakPolarHBondContact O-CG 3.47Å; F48-M52 PolarHBondContact O-N 2.86Å; V49-M52 PolarHBondContact O-N 3.08Å
53S94.1Very high92.6Very high39 Ų3991.4 Ų91.427%0.27348%0.482SS..  trans-64.2129.1176.5-1730000110.5V49 Q55 M57V49-S53 WeakPolarHBondContact O-CB 3.31Å; V49-S53 PolarHBondContact O-N 2.98Å; S53-Q55 WeakPolarHBondContact CB-O 3.25Å; S53-Q55 PolarHBondContact O-N 3.5Å; S53-Q55 PolarHBondContact OG-N 2.85Å; S53-Q55 PolarHBondContact OG-O 3.5Å; S53-M57 VanDerWaalsContact CB-SD 3.58Å; S53-M57 VanDerWaalsContact OG-CG 3.31Å; S53-M57 WeakPolarHBondContact OG-CG 3.46Å
54P93.8Very high92.6Very high127 Ų12787.9 Ų87.983%0.82547%0.466SS*.SBendtrans-75.3-7.5176.632.1-36000112.9
55Q92.9Very high92.6Very high154 Ų15489.6 Ų89.672%0.7247%0.466SS*.SBendtrans-141160.2-177.8-63.8-177.94.500110.9S53 M57S53-Q55 WeakPolarHBondContact CB-O 3.25Å; S53-Q55 PolarHBondContact O-N 3.5Å; S53-Q55 PolarHBondContact OG-N 2.85Å; S53-Q55 PolarHBondContact OG-O 3.5Å; Q55-M57 PolarHBondContact O-N 2.83Å
56D88.8Confident92.6Very high171 Ų17190.6 Ų90.691%0.91447%0.474SS*.  trans-58.1131.9172.9-68.2-39.8000111.1
57M84.6Confident92.8Very high82 Ų8291.6 Ų91.640%0.40449%0.493SS..  trans-99.9128.2-177-60.4-171.777.700110.6V49 S53 Q55 G60V49-M57 HydrophobicContact CG1-CE 3.42Å; V49-M57 VanDerWaalsContact CG1-CE 3.42Å; V49-M57 HydrophobicContact CG1-SD 3.39Å; V49-M57 WeakPolarHBondContact CG1-SD 3.29Å; S53-M57 VanDerWaalsContact CB-SD 3.58Å; S53-M57 VanDerWaalsContact OG-CG 3.31Å; S53-M57 WeakPolarHBondContact OG-CG 3.46Å; Q55-M57 PolarHBondContact O-N 2.83Å; M57-G60 VanDerWaalsContact CE-O 3.24Å; M57-G60 WeakPolarHBondContact CE-O 3.3Å
58K82.6Confident92.8Very high195 Ų19597.3 Ų97.385%0.84851%0.512SS*.SBendtrans-74.7-45.3171.4-171.2179.5178.9-176.60112.3
59D81Confident92.9Very high84 Ų8495 Ų9545%0.44950%0.501SS..SBendtrans-113.6-5.5-167.2-70-57.8000114.7L62 R94D59-L62 HydrophobicContact CB-CD2 3.92Å; D59-R94 IonicContact OD1-CZ 3.91Å; D59-R94 IonicContact OD1-NH1 3.97Å; D59-R94 IonicContact OD1-NH2 3.99Å; D59-R94 PolarHBondContact OD1-NH2 2.72Å
60G90.1Very high93Very high29 Ų2995.6 Ų95.630%0.29950%0.499SS..  trans62.4-143.5178.800000114M57M57-G60 VanDerWaalsContact CE-O 3.24Å; M57-G60 WeakPolarHBondContact CE-O 3.3Å
61F94.3Very high93.2Very high15 Ų1591.5 Ų91.57%0.06647%0.47CS..  trans-69.5133.2177.1172.1-110.6000110.9L42 I45 R46 V49 S63 F64 L71 Y73L42-F61 HydrophobicContact CD2-CE1 4.25Å; I45-F61 HydrophobicContact CD1-CD2 4Å; I45-F61 HydrophobicContact CD1-CE2 3.57Å; I45-F61 HydrophobicContact CD1-CZ 3.97Å; I45-F61 HydrophobicContact CG1-CD2 4.11Å; I45-F61 HydrophobicContact CG1-CE2 4.19Å; I45-F61 HydrophobicContact CG2-CD1 3.75Å; I45-F61 HydrophobicContact CG2-CD2 4.17Å; I45-F61 HydrophobicContact CG2-CE1 3.95Å; I45-F61 HydrophobicContact CG2-CE2 4.37Å; I45-F61 HydrophobicContact CG2-CG 3.89Å; I45-F61 HydrophobicContact CG2-CZ 4.29Å; R46-F61 HydrophobicContact CG-CB 4.31Å; V49-F61 HydrophobicContact CG2-CB 4.41Å; V49-F61 HydrophobicContact CG2-CD2 4.3Å; F61-S63 VanDerWaalsContact CE2-C 3.44Å; F61-S63 VanDerWaalsContact CE2-O 3.31Å; F61-S63 WeakPolarHBondContact CE2-O 3.31Å; F61-F64 HydrophobicContact CE2-CB 4.34Å; F61-F64 HydrophobicContact CE2-CD1 4.23Å; F61-F64 HydrophobicContact CZ-CB 4.48Å; F61-F64 AromaticContact CZ-CD1 3.71Å; F61-F64 HydrophobicContact CZ-CD1 3.71Å; F61-F64 HydrophobicContact CZ-CE1 4.5Å; F61-L71 HydrophobicContact CE1-CD2 4.02Å; F61-L71 HydrophobicContact CZ-CD2 4.11Å; F61-Y73 AromaticContact CD1-CD1 3.78Å; F61-Y73 HydrophobicContact CD1-CD1 3.78Å; F61-Y73 HydrophobicContact CD1-CD2 4.41Å; F61-Y73 HydrophobicContact CD1-CE1 4.46Å; F61-Y73 AromaticContact CD1-CG 3.73Å; F61-Y73 HydrophobicContact CD1-CG 3.73Å; F61-Y73 HydrophobicContact CE1-CD1 4.42Å; F61-Y73 HydrophobicContact CE1-CD2 4.47Å; F61-Y73 AromaticContact CE1-CG 3.92Å; F61-Y73 HydrophobicContact CE1-CG 3.92Å; F61-Y73 VanDerWaalsContact O-CD1 3.26Å; F61-Y73 WeakPolarHBondContact O-CD1 3.43Å
62L94.1Very high93.4Very high84 Ų8483.9 Ų83.944%0.4444%0.437SS..  trans-113.7-50.4-176.8-62.3-178000113.3D59 Y73D59-L62 HydrophobicContact CB-CD2 3.92Å; L62-Y73 WeakPolarHBondContact O-CB 3.34Å; L62-Y73 PolarHBondContact O-N 3.44Å
63S96.2Very high93.4Very high49 Ų4978.1 Ų78.134%0.34341%0.408SS..EExtended strand (participates in β ladder)trans-165.4161.3-177.758.50000110.5F61 L71F61-S63 VanDerWaalsContact CE2-C 3.44Å; F61-S63 VanDerWaalsContact CE2-O 3.31Å; F61-S63 WeakPolarHBondContact CE2-O 3.31Å; S63-L71 WeakPolarHBondContact CA-O 3.46Å; S63-L71 WeakPolarHBondContact CB-O 3.42Å
64F95.6Very high93.5Very high50 Ų5077.5 Ų77.522%0.21940%0.4CS..EExtended strand (participates in β ladder)trans-135.4162.2159.672.5-100.6000109M41 I45 F61 T66 Y69 R70 L71M41-F64 HydrophobicContact CE-CD1 3.75Å; M41-F64 HydrophobicContact CE-CE1 3.17Å; M41-F64 HydrophobicContact CE-CZ 3.83Å; M41-F64 HydrophobicContact SD-CE1 4.08Å; I45-F64 HydrophobicContact CD1-CD1 4.11Å; F61-F64 HydrophobicContact CE2-CB 4.34Å; F61-F64 HydrophobicContact CE2-CD1 4.23Å; F61-F64 HydrophobicContact CZ-CB 4.48Å; F61-F64 AromaticContact CZ-CD1 3.71Å; F61-F64 HydrophobicContact CZ-CD1 3.71Å; F61-F64 HydrophobicContact CZ-CE1 4.5Å; F64-T66 HydrophobicContact CD2-CG2 4.38Å; F64-T66 HydrophobicContact CE2-CG2 4.04Å; F64-Y69 HydrophobicContact CE2-CE2 4.25Å; F64-Y69 HydrophobicContact CZ-CE2 4.39Å; F64-R70 WeakPolarHBondContact O-CA 3.42Å; F64-R70 WeakPolarHBondContact O-CG 3.49Å; F64-L71 HydrophobicContact CD1-CB 4.14Å; F64-L71 HydrophobicContact CD1-CD2 4.27Å; F64-L71 HydrophobicContact CE1-CB 3.66Å; F64-L71 HydrophobicContact CE1-CD1 3.7Å; F64-L71 HydrophobicContact CE1-CD2 3.91Å; F64-L71 HydrophobicContact CE1-CG 3.96Å; F64-L71 HydrophobicContact CE2-CB 4.14Å; F64-L71 HydrophobicContact CZ-CB 3.66Å; F64-L71 HydrophobicContact CZ-CD1 3.82Å; F64-L71 HydrophobicContact CZ-CG 4.25Å; F64-L71 PolarHBondContact N-O 3.04Å; F64-L71 VanDerWaalsContact N-O 3.13Å; F64-L71 PolarHBondContact O-N 2.87Å
65Q96.9Very high93.6Very high109 Ų10974.4 Ų74.451%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-129.4154.8172.665.6176.52.500111.7Y69 R70 L88Q65-Y69 WeakPolarHBondContact CA-O 3.38Å; Q65-R70 HydrophobicContact CB-CB 4.17Å; Q65-R70 HydrophobicContact CB-CG 4.14Å; Q65-L88 HydrophobicContact CB-CD2 4.09Å
66T96.6Very high93.6Very high55 Ų5567.5 Ų67.534%0.33734%0.343SS..  trans-112.5-170.716966.20000109.1F64 K68 Y69 L88F64-T66 HydrophobicContact CD2-CG2 4.38Å; F64-T66 HydrophobicContact CE2-CG2 4.04Å; T66-K68 PolarHBondContact O-N 3.35Å; T66-K68 PolarHBondContact OG1-N 3.4Å; T66-Y69 HydrophobicContact CG2-CD1 4.23Å; T66-Y69 HydrophobicContact CG2-CE1 3.69Å; T66-Y69 PolarHBondContact N-O 3.48Å; T66-Y69 WeakPolarHBondContact OG1-CD1 3.49Å; T66-Y69 WeakPolarHBondContact OG1-CE1 3.34Å; T66-Y69 PolarHBondContact OG1-N 3.47Å; T66-Y69 PolarHBondContact OG1-O 2.86Å; T66-L88 WeakPolarHBondContact O-CD2 3.34Å
67S97.1Very high93.8Very high99 Ų9964.9 Ų64.969%0.69235%0.345SS*.SBendtrans-70.3-6.3171.859.40000114.3
68K96.4Very high94.1Very high166 Ų16663.4 Ų63.472%0.72234%0.343SS*.SBendtrans-128.2-31.8-172.6-61.4-61.9176.2-171.30115.3T66T66-K68 PolarHBondContact O-N 3.35Å; T66-K68 PolarHBondContact OG1-N 3.4Å
69Y97Very high94.6Very high73 Ų7354.6 Ų54.629%0.28631%0.308SS..  trans-148.6161.6-176.479.5-80.9000111F64 Q65 T66 L71 N85 T86F64-Y69 HydrophobicContact CE2-CE2 4.25Å; F64-Y69 HydrophobicContact CZ-CE2 4.39Å; Q65-Y69 WeakPolarHBondContact CA-O 3.38Å; T66-Y69 HydrophobicContact CG2-CD1 4.23Å; T66-Y69 HydrophobicContact CG2-CE1 3.69Å; T66-Y69 PolarHBondContact N-O 3.48Å; T66-Y69 WeakPolarHBondContact OG1-CD1 3.49Å; T66-Y69 WeakPolarHBondContact OG1-CE1 3.34Å; T66-Y69 PolarHBondContact OG1-N 3.47Å; T66-Y69 PolarHBondContact OG1-O 2.86Å; Y69-L71 HydrophobicContact CE2-CB 4.11Å; Y69-N85 HydrophobicContact CD2-CB 4Å; Y69-N85 HydrophobicContact CE2-CB 4.45Å; Y69-N85 VanDerWaalsContact CE2-OD1 3.26Å; Y69-N85 WeakPolarHBondContact CE2-OD1 3.47Å; Y69-T86 CarbonylContact C-O 3.59Å; Y69-T86 VanDerWaalsContact CA-O 3.3Å; Y69-T86 WeakPolarHBondContact CA-O 3.22Å; Y69-T86 WeakPolarHBondContact CB-O 3.21Å
70R97.9Very high95.3Very high45 Ų4552.8 Ų52.817%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-115.6134.3171.2-173.6172.8-64.2-159.24.7109.6F64 Q65 H72 N85 T86 L88 V90 S91F64-R70 WeakPolarHBondContact O-CA 3.42Å; F64-R70 WeakPolarHBondContact O-CG 3.49Å; Q65-R70 HydrophobicContact CB-CB 4.17Å; Q65-R70 HydrophobicContact CB-CG 4.14Å; R70-H72 WeakPolarHBondContact CD-CE1 3.43Å; R70-N85 CarbonylContact O-C 3.59Å; R70-N85 VanDerWaalsContact O-CA 3.32Å; R70-N85 WeakPolarHBondContact O-CA 3.32Å; R70-T86 PolarHBondContact N-O 2.8Å; R70-T86 PolarHBondContact O-N 2.89Å; R70-L88 HydrophobicContact CB-CD2 4.46Å; R70-V90 VanDerWaalsContact CD-O 3.31Å; R70-V90 WeakPolarHBondContact CD-O 3.47Å; R70-V90 PolarHBondContact NE-O 3.42Å; R70-S91 VanDerWaalsContact NH1-CA 3.3Å; R70-S91 PolarHBondContact NH1-O 3.13Å
71L97.8Very high95.7Very high1 Ų151.6 Ų51.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-98.8124.3170.4-175.9146.6000108.5M38 L42 F61 S63 F64 Y69 V83 N85M38-L71 HydrophobicContact SD-CD1 4.05Å; L42-L71 HydrophobicContact CD2-CD2 4.38Å; F61-L71 HydrophobicContact CE1-CD2 4.02Å; F61-L71 HydrophobicContact CZ-CD2 4.11Å; S63-L71 WeakPolarHBondContact CA-O 3.46Å; S63-L71 WeakPolarHBondContact CB-O 3.42Å; F64-L71 HydrophobicContact CD1-CB 4.14Å; F64-L71 HydrophobicContact CD1-CD2 4.27Å; F64-L71 HydrophobicContact CE1-CB 3.66Å; F64-L71 HydrophobicContact CE1-CD1 3.7Å; F64-L71 HydrophobicContact CE1-CD2 3.91Å; F64-L71 HydrophobicContact CE1-CG 3.96Å; F64-L71 HydrophobicContact CE2-CB 4.14Å; F64-L71 HydrophobicContact CZ-CB 3.66Å; F64-L71 HydrophobicContact CZ-CD1 3.82Å; F64-L71 HydrophobicContact CZ-CG 4.25Å; F64-L71 PolarHBondContact N-O 3.04Å; F64-L71 VanDerWaalsContact N-O 3.13Å; F64-L71 PolarHBondContact O-N 2.87Å; Y69-L71 HydrophobicContact CE2-CB 4.11Å; L71-V83 HydrophobicContact CD1-CG1 3.67Å; L71-V83 HydrophobicContact CD2-CG1 3.93Å; L71-V83 HydrophobicContact CG-CG1 3.76Å; L71-N85 WeakPolarHBondContact CA-OD1 3.48Å; L71-N85 VanDerWaalsContact CB-OD1 3.24Å; L71-N85 WeakPolarHBondContact CB-OD1 3.39Å; L71-N85 WeakPolarHBondContact CD1-OD1 3.24Å; L71-N85 WeakPolarHBondContact CG-OD1 3.26Å
72H97.6Very high95.8Very high4 Ų451.2 Ų51.22%0.01928%0.283CS..EExtended strand (participates in β ladder)trans-105.7137.3175.1-54.3-93.6000109.5R70 V83 M84 T86 A93 L97R70-H72 WeakPolarHBondContact CD-CE1 3.43Å; H72-V83 WeakPolarHBondContact O-CA 3.36Å; H72-M84 PolarHBondContact CD2-O 2.83Å; H72-M84 PolarHBondContact N-O 3.45Å; H72-M84 PolarHBondContact O-N 2.8Å; H72-T86 PolarHBondContact NE2-OG1 2.98Å; H72-A93 HydrophobicContact CB-CB 3.93Å; H72-A93 PolarHBondContact ND1-N 3Å; H72-L97 HydrophobicContact CB-CD1 4.09Å
73Y97Very high96Very high9 Ų947.2 Ų47.24%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-127135.6-176.4179.7-97.7000111.2L42 R46 F61 L62 E75 K81 F82 V83L42-Y73 HydrophobicContact CD1-CE2 4.33Å; L42-Y73 HydrophobicContact CD2-CD2 3.74Å; L42-Y73 HydrophobicContact CD2-CE2 4.07Å; R46-Y73 VanDerWaalsContact CD-OH 3.27Å; R46-Y73 WeakPolarHBondContact CD-OH 3.33Å; R46-Y73 PolarHBondContact NE-OH 2.86Å; F61-Y73 AromaticContact CD1-CD1 3.78Å; F61-Y73 HydrophobicContact CD1-CD1 3.78Å; F61-Y73 HydrophobicContact CD1-CD2 4.41Å; F61-Y73 HydrophobicContact CD1-CE1 4.46Å; F61-Y73 AromaticContact CD1-CG 3.73Å; F61-Y73 HydrophobicContact CD1-CG 3.73Å; F61-Y73 HydrophobicContact CE1-CD1 4.42Å; F61-Y73 HydrophobicContact CE1-CD2 4.47Å; F61-Y73 AromaticContact CE1-CG 3.92Å; F61-Y73 HydrophobicContact CE1-CG 3.92Å; F61-Y73 VanDerWaalsContact O-CD1 3.26Å; F61-Y73 WeakPolarHBondContact O-CD1 3.43Å; L62-Y73 WeakPolarHBondContact O-CB 3.34Å; L62-Y73 PolarHBondContact O-N 3.44Å; Y73-E75 HydrophobicContact CE1-CB 3.78Å; Y73-E75 WeakPolarHBondContact OH-CB 3.39Å; Y73-E75 VanDerWaalsContact OH-CD 3.3Å; Y73-E75 PolarHBondContact OH-OE2 3.27Å; Y73-E75 VanDerWaalsContact OH-OE2 3.1Å; Y73-K81 HydrophobicContact CE2-CB 3.96Å; Y73-K81 HydrophobicContact CE2-CD 4.31Å; Y73-K81 HydrophobicContact CE2-CG 4.25Å; Y73-K81 WeakPolarHBondContact OH-CD 3.36Å; Y73-K81 WeakPolarHBondContact OH-CG 3.49Å; Y73-F82 WeakPolarHBondContact CA-O 3.43Å; Y73-V83 HydrophobicContact CD2-CG2 4.18Å
74Y95.9Very high96.1Very high27 Ų2745.6 Ų45.611%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-140.3131.8171.8173.9-113.2000109.7T76 K81 F82 R94 L97 Q98Y74-T76 HydrophobicContact CD1-CG2 4.49Å; Y74-T76 HydrophobicContact CE1-CG2 3.75Å; Y74-K81 CarbonylContact O-C 3.59Å; Y74-K81 WeakPolarHBondContact O-CA 3.4Å; Y74-F82 AromaticContact CD1-CD2 3.92Å; Y74-F82 HydrophobicContact CD1-CD2 3.92Å; Y74-F82 HydrophobicContact CD1-CG 4.44Å; Y74-F82 PolarHBondContact N-O 3.49Å; Y74-F82 PolarHBondContact O-N 2.79Å; Y74-R94 HydrophobicContact CD2-CG 4.28Å; Y74-L97 HydrophobicContact CD1-CB 4.19Å; Y74-L97 HydrophobicContact CG-CB 4.16Å; Y74-Q98 HydrophobicContact CE1-CB 4.34Å
75E94.8Very high96.1Very high61 Ų6143.8 Ų43.829%0.28524%0.241SC..EExtended strand (participates in β ladder)trans-121.1130.2177.5-175170.4-153.900110R46 Y73 L80 K81R46-E75 IonicContact CZ-OE1 3.66Å; R46-E75 IonicContact CZ-OE2 3.5Å; R46-E75 IonicContact NE-OE1 2.72Å; R46-E75 IonicContact NE-OE2 2.73Å; R46-E75 PolarHBondContact NE-OE2 3.24Å; R46-E75 IonicContact NH1-OE1 3.33Å; R46-E75 IonicContact NH2-OE1 3.53Å; R46-E75 PolarHBondContact NH2-OE1 2.87Å; R46-E75 IonicContact NH2-OE2 3.4Å; R46-E75 PolarHBondContact NH2-OE2 2.88Å; Y73-E75 HydrophobicContact CE1-CB 3.78Å; Y73-E75 WeakPolarHBondContact OH-CB 3.39Å; Y73-E75 VanDerWaalsContact OH-CD 3.3Å; Y73-E75 PolarHBondContact OH-OE2 3.27Å; Y73-E75 VanDerWaalsContact OH-OE2 3.1Å; E75-L80 CarbonylContact C-O 3.59Å; E75-L80 VanDerWaalsContact CA-O 3.31Å; E75-L80 WeakPolarHBondContact CA-O 3.3Å; E75-K81 HydrophobicContact CG-CG 4.09Å; E75-K81 WeakPolarHBondContact OE1-CE 3.44Å; E75-K81 IonicContact OE1-NZ 3.08Å
76T93.9Very high96.2Very high10 Ų1038.7 Ų38.76%0.06122%0.218CC..  trans-84161.9175.769.20000111Y74 S78 G79 L80 F82 Y101Y74-T76 HydrophobicContact CD1-CG2 4.49Å; Y74-T76 HydrophobicContact CE1-CG2 3.75Å; T76-S78 PolarHBondContact O-N 3.48Å; T76-S78 PolarHBondContact OG1-N 3.47Å; T76-S78 PolarHBondContact OG1-OG 3.4Å; T76-G79 WeakPolarHBondContact O-CA 3.45Å; T76-G79 PolarHBondContact O-N 3Å; T76-G79 PolarHBondContact OG1-N 3.22Å; T76-L80 HydrophobicContact CG2-CB 4.14Å; T76-L80 PolarHBondContact N-O 3.43Å; T76-L80 WeakPolarHBondContact OG1-CB 3.38Å; T76-L80 PolarHBondContact OG1-N 3.31Å; T76-L80 VanDerWaalsContact OG1-N 3.09Å; T76-F82 HydrophobicContact CG2-CE2 4Å; T76-Y101 HydrophobicContact CG2-CD1 3.99Å; T76-Y101 HydrophobicContact CG2-CD2 3.87Å; T76-Y101 HydrophobicContact CG2-CE1 4.1Å; T76-Y101 HydrophobicContact CG2-CE2 4Å; T76-Y101 HydrophobicContact CG2-CG 3.86Å
77A91.5Very high96.2Very high115 Ų11537.8 Ų37.895%0.9521%0.211SC*.THydrogen-bonded Turntrans-60.6-25.3172.400000113.3G79A77-G79 PolarHBondContact O-N 2.92Å
78S92.7Very high96.1Very high52 Ų5236.4 Ų36.436%0.36420%0.195SC..THydrogen-bonded Turntrans-78-5.8173.359.30000113.5R11 T76R11-S78 PolarHBondContact NE-O 3.45Å; R11-S78 VanDerWaalsContact NE-O 3.12Å; R11-S78 PolarHBondContact NH2-O 2.79Å; T76-S78 PolarHBondContact O-N 3.48Å; T76-S78 PolarHBondContact OG1-N 3.47Å; T76-S78 PolarHBondContact OG1-OG 3.4Å
79G92.9Very high96.1Very high10 Ų1032.3 Ų32.310%0.10319%0.187CC..  trans86.312.9176.900000114.6D10 R11 T76 A77 K81D10-G79 CarbonylContact C-O 3.4Å; R11-G79 WeakPolarHBondContact CA-O 3.27Å; R11-G79 PolarHBondContact N-O 2.95Å; T76-G79 WeakPolarHBondContact O-CA 3.45Å; T76-G79 PolarHBondContact O-N 3Å; T76-G79 PolarHBondContact OG1-N 3.22Å; A77-G79 PolarHBondContact O-N 2.92Å; G79-K81 PolarHBondContact O-NZ 3.19Å
80L95.9Very high95.9Very high45 Ų4529.8 Ų29.824%0.23618%0.18CC..  trans-70.8137.2167.7-65.4174000109.1F9 L16 E75 T76 F82 Y101F9-L80 WeakPolarHBondContact O-CA 3.42Å; L16-L80 HydrophobicContact CD1-CD2 3.73Å; E75-L80 CarbonylContact C-O 3.59Å; E75-L80 VanDerWaalsContact CA-O 3.31Å; E75-L80 WeakPolarHBondContact CA-O 3.3Å; T76-L80 HydrophobicContact CG2-CB 4.14Å; T76-L80 PolarHBondContact N-O 3.43Å; T76-L80 WeakPolarHBondContact OG1-CB 3.38Å; T76-L80 PolarHBondContact OG1-N 3.31Å; T76-L80 VanDerWaalsContact OG1-N 3.09Å; L80-F82 HydrophobicContact CB-CE2 3.89Å; L80-Y101 HydrophobicContact CD1-CD2 4.27Å; L80-Y101 HydrophobicContact CD1-CE2 4.01Å
81K96.5Very high95.4Very high5 Ų531.9 Ų31.92%0.02220%0.201CC..EExtended strand (participates in β ladder)trans-123.1119.6-176.7-55.8173.6-167.963.50109.5I8 F9 D10 Y39 Y73 Y74 E75 G79I8-K81 CarbonylContact C-O 3.56Å; I8-K81 VanDerWaalsContact CA-O 3.31Å; I8-K81 WeakPolarHBondContact CA-O 3.22Å; F9-K81 HydrophobicContact CB-CB 4.26Å; F9-K81 PolarHBondContact N-O 2.58Å; F9-K81 PolarHBondContact O-N 2.86Å; D10-K81 PolarHBondContact O-NZ 3.29Å; Y39-K81 HydrophobicContact CE2-CD 3.77Å; Y39-K81 PolarHBondContact OH-NZ 3.41Å; Y73-K81 HydrophobicContact CE2-CB 3.96Å; Y73-K81 HydrophobicContact CE2-CD 4.31Å; Y73-K81 HydrophobicContact CE2-CG 4.25Å; Y73-K81 WeakPolarHBondContact OH-CD 3.36Å; Y73-K81 WeakPolarHBondContact OH-CG 3.49Å; Y74-K81 CarbonylContact O-C 3.59Å; Y74-K81 WeakPolarHBondContact O-CA 3.4Å; E75-K81 HydrophobicContact CG-CG 4.09Å; E75-K81 WeakPolarHBondContact OE1-CE 3.44Å; E75-K81 IonicContact OE1-NZ 3.08Å; G79-K81 PolarHBondContact O-NZ 3.19Å
82F97.5Very high95Very high7 Ų736.6 Ų36.63%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-102.7129.4177.3-64.3-102.8000108.9I8 Y73 Y74 T76 L80 L97 I100 Y101I8-F82 HydrophobicContact CD1-CD1 3.96Å; I8-F82 HydrophobicContact CD1-CE1 3.61Å; I8-F82 HydrophobicContact CG1-CD1 3.82Å; I8-F82 HydrophobicContact CG1-CE1 3.93Å; I8-F82 HydrophobicContact CG2-CD1 4.4Å; I8-F82 HydrophobicContact CG2-CE1 4.13Å; I8-F82 HydrophobicContact CG2-CZ 4.22Å; Y73-F82 WeakPolarHBondContact CA-O 3.43Å; Y74-F82 AromaticContact CD1-CD2 3.92Å; Y74-F82 HydrophobicContact CD1-CD2 3.92Å; Y74-F82 HydrophobicContact CD1-CG 4.44Å; Y74-F82 PolarHBondContact N-O 3.49Å; Y74-F82 PolarHBondContact O-N 2.79Å; T76-F82 HydrophobicContact CG2-CE2 4Å; L80-F82 HydrophobicContact CB-CE2 3.89Å; F82-L97 HydrophobicContact CB-CB 4.44Å; F82-L97 HydrophobicContact CB-CD1 4.42Å; F82-L97 HydrophobicContact CB-CD2 4.07Å; F82-I100 HydrophobicContact CD1-CG2 4.21Å; F82-I100 HydrophobicContact CE1-CG2 3.9Å; F82-Y101 HydrophobicContact CE2-CD2 4.16Å; F82-Y101 HydrophobicContact CE2-CG 4.39Å; F82-Y101 HydrophobicContact CZ-CD2 4.04Å; F82-Y101 HydrophobicContact CZ-CG 4.39Å
83V97.8Very high94.8Very high0 Ų036.6 Ų36.60%023%0.227CC..EExtended strand (participates in β ladder)trans-133114.6-175.2-169.90000108.6L6 Y7 F9 M38 L42 L71 H72 Y73L6-V83 CarbonylContact C-O 3.56Å; L6-V83 WeakPolarHBondContact CA-O 3.09Å; L6-V83 WeakPolarHBondContact CD1-O 3.46Å; Y7-V83 HydrophobicContact CD2-CB 4.26Å; Y7-V83 HydrophobicContact CD2-CG1 4.39Å; Y7-V83 PolarHBondContact N-O 2.78Å; Y7-V83 PolarHBondContact O-N 3.33Å; F9-V83 HydrophobicContact CD2-CG2 4.16Å; F9-V83 HydrophobicContact CE2-CG2 4.21Å; M38-V83 HydrophobicContact SD-CG1 4.45Å; L42-V83 HydrophobicContact CD1-CG2 3.48Å; L42-V83 VanDerWaalsContact CD1-CG2 3.48Å; L71-V83 HydrophobicContact CD1-CG1 3.67Å; L71-V83 HydrophobicContact CD2-CG1 3.93Å; L71-V83 HydrophobicContact CG-CG1 3.76Å; H72-V83 WeakPolarHBondContact O-CA 3.36Å; Y73-V83 HydrophobicContact CD2-CG2 4.18Å
84M97.8Very high94.5Very high15 Ų1539.1 Ų39.17%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-123.1130.6-178-177-178.9-70.600110.5V3 L6 H72 T86 L97 I100V3-M84 HydrophobicContact CG1-CG 3.94Å; V3-M84 HydrophobicContact CG1-SD 4.12Å; V3-M84 HydrophobicContact CG2-SD 4.32Å; L6-M84 HydrophobicContact CD1-CB 4.09Å; L6-M84 HydrophobicContact CD1-CE 4.09Å; H72-M84 PolarHBondContact CD2-O 2.83Å; H72-M84 PolarHBondContact N-O 3.45Å; H72-M84 PolarHBondContact O-N 2.8Å; M84-T86 HydrophobicContact CG-CG2 4.01Å; M84-T86 HydrophobicContact SD-CG2 4.08Å; M84-L97 HydrophobicContact CB-CD2 3.91Å; M84-L97 HydrophobicContact CE-CD2 3.82Å; M84-L97 HydrophobicContact SD-CD2 4.49Å; M84-I100 HydrophobicContact CE-CD1 3.79Å
85N97.7Very high94.2Very high12 Ų1243.5 Ų43.56%0.06426%0.262CS..EExtended strand (participates in β ladder)trans-100.9131.9171.8-66.7-45.4000110.5H4 N5 Y69 R70 L71H4-N85 HydrophobicContact CB-CB 4.07Å; H4-N85 PolarHBondContact N-O 2.89Å; N5-N85 PolarHBondContact O-N 3.02Å; N5-N85 VanDerWaalsContact OD1-CB 3.32Å; N5-N85 WeakPolarHBondContact OD1-CB 3.15Å; N5-N85 PolarHBondContact OD1-ND2 2.72Å; Y69-N85 HydrophobicContact CD2-CB 4Å; Y69-N85 HydrophobicContact CE2-CB 4.45Å; Y69-N85 VanDerWaalsContact CE2-OD1 3.26Å; Y69-N85 WeakPolarHBondContact CE2-OD1 3.47Å; R70-N85 CarbonylContact O-C 3.59Å; R70-N85 VanDerWaalsContact O-CA 3.32Å; R70-N85 WeakPolarHBondContact O-CA 3.32Å; L71-N85 WeakPolarHBondContact CA-OD1 3.48Å; L71-N85 VanDerWaalsContact CB-OD1 3.24Å; L71-N85 WeakPolarHBondContact CB-OD1 3.39Å; L71-N85 WeakPolarHBondContact CD1-OD1 3.24Å; L71-N85 WeakPolarHBondContact CG-OD1 3.26Å
86T97.7Very high94.2Very high2 Ų244.3 Ų44.31%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-131.8171.6177.768.60000111.7T2 V3 Y69 R70 H72 M84 V90T2-T86 CarbonylContact O-C 3.56Å; T2-T86 WeakPolarHBondContact O-CA 3.32Å; V3-T86 HydrophobicContact CG2-CG2 4.41Å; Y69-T86 CarbonylContact C-O 3.59Å; Y69-T86 VanDerWaalsContact CA-O 3.3Å; Y69-T86 WeakPolarHBondContact CA-O 3.22Å; Y69-T86 WeakPolarHBondContact CB-O 3.21Å; R70-T86 PolarHBondContact N-O 2.8Å; R70-T86 PolarHBondContact O-N 2.89Å; H72-T86 PolarHBondContact NE2-OG1 2.98Å; M84-T86 HydrophobicContact CG-CG2 4.01Å; M84-T86 HydrophobicContact SD-CG2 4.08Å; T86-V90 HydrophobicContact CG2-CB 4.44Å; T86-V90 HydrophobicContact CG2-CG2 4.25Å; T86-V90 WeakPolarHBondContact OG1-CB 3.12Å
87D96.3Very high94.2Very high35 Ų3543.9 Ų43.919%0.18727%0.268CS..  trans-64.2164.2163.466.8-37.2000111.8M1 T2 H4 S89 V90M1-D87 VanDerWaalsContact CA-OD1 3.27Å; M1-D87 WeakPolarHBondContact CA-OD1 3.37Å; M1-D87 PolarHBondContact N-OD2 3.24Å; T2-D87 VanDerWaalsContact N-CG 3.35Å; T2-D87 PolarHBondContact N-OD1 3.2Å; T2-D87 PolarHBondContact O-N 3.22Å; H4-D87 PolarHBondContact NE2-N 3.2Å; D87-S89 PolarHBondContact O-N 2.89Å; D87-S89 PolarHBondContact OD1-OG 2.78Å; D87-S89 WeakPolarHBondContact OD2-CB 3.39Å; D87-S89 PolarHBondContact OD2-OG 3.02Å; D87-V90 PolarHBondContact O-N 2.63Å
88L96.4Very high94.2Very high70 Ų7042.5 Ų42.537%0.36624%0.242SC..THydrogen-bonded Turntrans-68.7-11.8-176.9-60.5-180000113.9Q65 T66 R70 V90Q65-L88 HydrophobicContact CB-CD2 4.09Å; T66-L88 WeakPolarHBondContact O-CD2 3.34Å; R70-L88 HydrophobicContact CB-CD2 4.46Å; L88-V90 PolarHBondContact O-N 3.4Å
89S95.1Very high94.3Very high80 Ų8045.5 Ų45.556%0.55925%0.25SS*.THydrogen-bonded Turntrans-69.5-21177.2720000113M1 D87 S91M1-S89 PolarHBondContact N-OG 2.89Å; D87-S89 PolarHBondContact O-N 2.89Å; D87-S89 PolarHBondContact OD1-OG 2.78Å; D87-S89 WeakPolarHBondContact OD2-CB 3.39Å; D87-S89 PolarHBondContact OD2-OG 3.02Å; S89-S91 PolarHBondContact O-N 2.84Å
90V93.8Very high94.2Very high20 Ų2047.1 Ų47.112%0.12126%0.256CS..  trans-87.6110.3178.1-175.60000109.5M1 R70 T86 D87 L88 A93M1-V90 HydrophobicContact CB-CG2 4.38Å; M1-V90 HydrophobicContact CG-CG2 3.68Å; M1-V90 HydrophobicContact SD-CG2 4.29Å; R70-V90 VanDerWaalsContact CD-O 3.31Å; R70-V90 WeakPolarHBondContact CD-O 3.47Å; R70-V90 PolarHBondContact NE-O 3.42Å; T86-V90 HydrophobicContact CG2-CB 4.44Å; T86-V90 HydrophobicContact CG2-CG2 4.25Å; T86-V90 WeakPolarHBondContact OG1-CB 3.12Å; D87-V90 PolarHBondContact O-N 2.63Å; L88-V90 PolarHBondContact O-N 3.4Å; V90-A93 HydrophobicContact CG1-CB 4.23Å
91S87.8Confident94Very high90 Ų9049.6 Ų49.663%0.62926%0.263SS*.SBendtrans-76.2-43.9-179.756.10000112.5R70 S89R70-S91 VanDerWaalsContact NH1-CA 3.3Å; R70-S91 PolarHBondContact NH1-O 3.13Å; S89-S91 PolarHBondContact O-N 2.84Å
92N88.8Confident93.7Very high100 Ų10053.1 Ų53.154%0.53529%0.288SS..  trans-145129.2-178.1-174.43.8000109.2R94N92-R94 WeakPolarHBondContact OD1-CB 3.34Å; N92-R94 PolarHBondContact OD1-N 3.47Å
93A92.6Very high93.1Very high4 Ų458.1 Ų58.13%0.03332%0.316CS..  trans-114.410.1174.100000112.8H72 V90 D95 T96 L97H72-A93 HydrophobicContact CB-CB 3.93Å; H72-A93 PolarHBondContact ND1-N 3Å; V90-A93 HydrophobicContact CG1-CB 4.23Å; A93-D95 PolarHBondContact O-N 2.87Å; A93-T96 WeakPolarHBondContact O-CB 3.33Å; A93-T96 PolarHBondContact O-N 3.34Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 2.89Å
94R90.4Very high91.5Very high62 Ų6266.4 Ų66.423%0.23437%0.366CS..Hα-helixtrans-60-45.4-174.4-173.8173.8175.3132.1-9.3112.7D59 Y74 N92 T96 L97 Q98D59-R94 IonicContact OD1-CZ 3.91Å; D59-R94 IonicContact OD1-NH1 3.97Å; D59-R94 IonicContact OD1-NH2 3.99Å; D59-R94 PolarHBondContact OD1-NH2 2.72Å; Y74-R94 HydrophobicContact CD2-CG 4.28Å; N92-R94 WeakPolarHBondContact OD1-CB 3.34Å; N92-R94 PolarHBondContact OD1-N 3.47Å; R94-T96 VanDerWaalsContact C-N 3.27Å; R94-T96 PolarHBondContact O-N 3.28Å; R94-L97 PolarHBondContact O-N 3.46Å; R94-L97 VanDerWaalsContact O-N 3.16Å; R94-Q98 WeakPolarHBondContact O-CB 3.16Å; R94-Q98 PolarHBondContact O-N 3.2Å
95D91.4Very high91.2Very high119 Ų11969 Ų6964%0.63638%0.38SS*.Hα-helixtrans-63.1-38.2178.7-58.5-30.8000111.1A93 Q98 H99A93-D95 PolarHBondContact O-N 2.87Å; D95-Q98 PolarHBondContact O-N 3.15Å; D95-H99 VanDerWaalsContact O-CB 3.31Å; D95-H99 WeakPolarHBondContact O-CB 3.19Å; D95-H99 PolarHBondContact O-N 2.72Å
96T93.4Very high90.8Very high78 Ų7871.9 Ų71.948%0.47940%0.397SS..Hα-helixtrans-63.7-45.1173.6-51.10000111.5A93 R94 Q98 H99 I100A93-T96 WeakPolarHBondContact O-CB 3.33Å; A93-T96 PolarHBondContact O-N 3.34Å; R94-T96 VanDerWaalsContact C-N 3.27Å; R94-T96 PolarHBondContact O-N 3.28Å; T96-Q98 VanDerWaalsContact C-N 3.34Å; T96-Q98 PolarHBondContact O-N 2.9Å; T96-H99 PolarHBondContact O-N 3.4Å; T96-I100 HydrophobicContact CG2-CD1 4.33Å; T96-I100 VanDerWaalsContact O-CG1 3.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.17Å; T96-I100 PolarHBondContact O-N 2.77Å
97L93.8Very high90.5Very high0 Ų075.8 Ų75.80%042%0.418CS..Hα-helixtrans-64.4-39.1177.7-67.6-178.8000111.9L6 H72 Y74 F82 M84 A93 R94 I100 Y101L6-L97 HydrophobicContact CD1-CD2 4.28Å; H72-L97 HydrophobicContact CB-CD1 4.09Å; Y74-L97 HydrophobicContact CD1-CB 4.19Å; Y74-L97 HydrophobicContact CG-CB 4.16Å; F82-L97 HydrophobicContact CB-CB 4.44Å; F82-L97 HydrophobicContact CB-CD1 4.42Å; F82-L97 HydrophobicContact CB-CD2 4.07Å; M84-L97 HydrophobicContact CB-CD2 3.91Å; M84-L97 HydrophobicContact CE-CD2 3.82Å; M84-L97 HydrophobicContact SD-CD2 4.49Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 2.89Å; R94-L97 PolarHBondContact O-N 3.46Å; R94-L97 VanDerWaalsContact O-N 3.16Å; L97-I100 HydrophobicContact CD2-CD1 4.32Å; L97-I100 PolarHBondContact O-N 3.14Å; L97-Y101 PolarHBondContact O-N 2.81Å; L97-Y101 VanDerWaalsContact O-N 3.11Å
98Q92.9Very high90.1Very high87 Ų8778.2 Ų78.241%0.40743%0.432SS..Hα-helixtrans-66.2-42.2174.3-176.3174.3-10.400111.3Y74 R94 D95 T96 I100 Y101 S102Y74-Q98 HydrophobicContact CE1-CB 4.34Å; R94-Q98 WeakPolarHBondContact O-CB 3.16Å; R94-Q98 PolarHBondContact O-N 3.2Å; D95-Q98 PolarHBondContact O-N 3.15Å; T96-Q98 VanDerWaalsContact C-N 3.34Å; T96-Q98 PolarHBondContact O-N 2.9Å; Q98-I100 VanDerWaalsContact C-N 3.33Å; Q98-I100 PolarHBondContact O-N 3.1Å; Q98-Y101 WeakPolarHBondContact O-CB 3.48Å; Q98-Y101 PolarHBondContact O-N 2.93Å; Q98-Y101 VanDerWaalsContact O-N 3.17Å; Q98-S102 PolarHBondContact O-N 2.99Å; Q98-S102 PolarHBondContact O-OG 3.25Å
99H93.1Very high89.7Confident114 Ų11478.8 Ų78.853%0.52844%0.436SS..Hα-helixtrans-60.8-41.7174.6-176.9-53.8000111.6D95 T96 Y101 S102 N103D95-H99 VanDerWaalsContact O-CB 3.31Å; D95-H99 WeakPolarHBondContact O-CB 3.19Å; D95-H99 PolarHBondContact O-N 2.72Å; T96-H99 PolarHBondContact O-N 3.4Å; H99-Y101 VanDerWaalsContact C-N 3.29Å; H99-Y101 PolarHBondContact O-N 2.54Å; H99-S102 PolarHBondContact O-N 3.13Å; H99-N103 VanDerWaalsContact CE1-CG 3.48Å; H99-N103 PolarHBondContact CE1-ND2 3.49Å; H99-N103 PolarHBondContact ND1-ND2 3.46Å; H99-N103 PolarHBondContact O-N 2.73Å; H99-N103 VanDerWaalsContact O-N 3.08Å; H99-N103 PolarHBondContact O-ND2 3.34Å
100I91.2Very high89.4Confident44 Ų4478.7 Ų78.723%0.22643%0.428CS..Hα-helixtrans-58.3-45.3174.9-70.7165.2000109.7F82 M84 T96 L97 Q98 S102 V104F82-I100 HydrophobicContact CD1-CG2 4.21Å; F82-I100 HydrophobicContact CE1-CG2 3.9Å; M84-I100 HydrophobicContact CE-CD1 3.79Å; T96-I100 HydrophobicContact CG2-CD1 4.33Å; T96-I100 VanDerWaalsContact O-CG1 3.29Å; T96-I100 WeakPolarHBondContact O-CG1 3.17Å; T96-I100 PolarHBondContact O-N 2.77Å; L97-I100 HydrophobicContact CD2-CD1 4.32Å; L97-I100 PolarHBondContact O-N 3.14Å; Q98-I100 VanDerWaalsContact C-N 3.33Å; Q98-I100 PolarHBondContact O-N 3.1Å; I100-S102 PolarHBondContact O-N 2.72Å; I100-V104 WeakPolarHBondContact O-CG2 3.44Å; I100-V104 PolarHBondContact O-N 3.01Å
101Y91.8Very high89.1Confident97 Ų9782.9 Ų82.938%0.3845%0.449SS..Hα-helixtrans-62.7-42176.3170.7-113.6000113.1T76 L80 F82 L97 Q98 H99 N103T76-Y101 HydrophobicContact CG2-CD1 3.99Å; T76-Y101 HydrophobicContact CG2-CD2 3.87Å; T76-Y101 HydrophobicContact CG2-CE1 4.1Å; T76-Y101 HydrophobicContact CG2-CE2 4Å; T76-Y101 HydrophobicContact CG2-CG 3.86Å; L80-Y101 HydrophobicContact CD1-CD2 4.27Å; L80-Y101 HydrophobicContact CD1-CE2 4.01Å; F82-Y101 HydrophobicContact CE2-CD2 4.16Å; F82-Y101 HydrophobicContact CE2-CG 4.39Å; F82-Y101 HydrophobicContact CZ-CD2 4.04Å; F82-Y101 HydrophobicContact CZ-CG 4.39Å; L97-Y101 PolarHBondContact O-N 2.81Å; L97-Y101 VanDerWaalsContact O-N 3.11Å; Q98-Y101 WeakPolarHBondContact O-CB 3.48Å; Q98-Y101 PolarHBondContact O-N 2.93Å; Q98-Y101 VanDerWaalsContact O-N 3.17Å; H99-Y101 VanDerWaalsContact C-N 3.29Å; H99-Y101 PolarHBondContact O-N 2.54Å; Y101-N103 VanDerWaalsContact C-N 3.34Å; Y101-N103 PolarHBondContact O-N 3.34Å
102S90.9Very high89.2Confident79 Ų7982.3 Ų82.355%0.55244%0.436SS*.Hα-helixtrans-74.1-20.5-175.8-64.30000114.9Q98 H99 I100Q98-S102 PolarHBondContact O-N 2.99Å; Q98-S102 PolarHBondContact O-OG 3.25Å; H99-S102 PolarHBondContact O-N 3.13Å; I100-S102 PolarHBondContact O-N 2.72Å
103N84.9Confident89.2Confident113 Ų11380.8 Ų80.860%0.60443%0.427SS*.THydrogen-bonded Turntrans-113.220.7-176-67.1-89.1000112.6H99 Y101H99-N103 VanDerWaalsContact CE1-CG 3.48Å; H99-N103 PolarHBondContact CE1-ND2 3.49Å; H99-N103 PolarHBondContact ND1-ND2 3.46Å; H99-N103 PolarHBondContact O-N 2.73Å; H99-N103 VanDerWaalsContact O-N 3.08Å; H99-N103 PolarHBondContact O-ND2 3.34Å; Y101-N103 VanDerWaalsContact C-N 3.34Å; Y101-N103 PolarHBondContact O-N 3.34Å
104V63.8Low88.9Confident173 Ų17387.8 Ų87.8100%1.04846%0.463SS*.  trans-103.60168.9168.90000109.1I100I100-V104 WeakPolarHBondContact O-CG2 3.44Å; I100-V104 PolarHBondContact O-N 3.01Å

Retrieved 104 of 104 residues in 108.4 ms (Link to these results)

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