A0A096NV33_PAPAN Loading...

Glucosamine 6-phosphate N-acetyltransferase

AlphaFold DB (Q96EK6), UniProt , Accession A0A096NV33, Species PAPAN (Papio anubis, Olive baboon), Gene GNPNAT1, Length 184 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
1M75.2Confident95.7Very high193 Ų19380.5 Ų80.595%0.95142%0.417SS*.  0153.10-79.2168.8-168.500108.5M72M1-M72 HydrophobicContact CB-SD 3.99Å; M1-M72 WeakPolarHBondContact O-CE 3.3Å
2K92.1Very high95.9Very high184 Ų18476.4 Ų76.480%0.840%0.4SS*.  trans-99.7146.7171.6-69.8-175.5178.9-178.80108.3
3P96.3Very high96.1Very high47 Ų4773.2 Ų73.231%0.30538%0.383SS..  trans-52.7139.2169-27.936.7000112.2T46 L49P3-T46 WeakPolarHBondContact CA-OG1 3.41Å; P3-L49 HydrophobicContact CG-CD2 4.24Å
4D98Very high96.3Very high70 Ų7068.1 Ų68.137%0.37436%0.356SS..  trans-143.7173.9-179.168.950.6000112.4T6 T46 A47D4-T6 VanDerWaalsContact C-N 3.3Å; D4-T6 PolarHBondContact O-N 2.58Å; D4-T6 WeakPolarHBondContact OD1-CB 3.41Å; D4-T6 PolarHBondContact OD1-N 2.9Å; D4-T6 PolarHBondContact OD1-OG1 2.83Å; D4-T46 PolarHBondContact N-OG1 2.83Å; D4-T46 PolarHBondContact O-N 3.21Å; D4-T46 PolarHBondContact O-OG1 3.42Å; D4-A47 WeakPolarHBondContact O-CB 3.39Å; D4-A47 PolarHBondContact O-N 3.22Å
5E98.5Very high96.4Very high111 Ų11171.9 Ų71.952%0.51937%0.369SS..  trans-86.37.1-175.1-55.8-59.6157.900114P7 A47 R51E5-P7 WeakPolarHBondContact O-CD 3.29Å; E5-A47 WeakPolarHBondContact OE1-CB 3.16Å; E5-R51 IonicContact OE1-CZ 2.69Å; E5-R51 IonicContact OE1-NH1 3.69Å; E5-R51 IonicContact OE1-NH2 3.5Å; E5-R51 PolarHBondContact OE1-NH2 3.31Å; E5-R51 IonicContact OE2-CZ 3.23Å; E5-R51 IonicContact OE2-NH1 3.63Å; E5-R51 PolarHBondContact OE2-NH1 2.86Å; E5-R51 IonicContact OE2-NH2 2.89Å; E5-R51 PolarHBondContact OE2-NH2 2.97Å
6T98.5Very high96.4Very high68 Ų6874.1 Ų74.142%0.41738%0.377SS..  trans-69.8121-175.2-42.40000109.5D4 C45D4-T6 VanDerWaalsContact C-N 3.3Å; D4-T6 PolarHBondContact O-N 2.58Å; D4-T6 WeakPolarHBondContact OD1-CB 3.41Å; D4-T6 PolarHBondContact OD1-N 2.9Å; D4-T6 PolarHBondContact OD1-OG1 2.83Å; T6-C45 WeakPolarHBondContact O-CB 3.48Å
7P98.8Very high96.5Very high44 Ų4470.2 Ų70.229%0.28636%0.358SS..BIsolated β-bridgetrans-69.3154.2-176.529.3-35.9000111.6E5 F9 P11 P43 K79E5-P7 WeakPolarHBondContact O-CD 3.29Å; P7-F9 VanDerWaalsContact C-N 3.35Å; P7-F9 WeakPolarHBondContact CB-O 3.37Å; P7-P11 HydrophobicContact CB-CG 4.1Å; P7-P11 HydrophobicContact CG-CG 3.99Å; P7-P43 HydrophobicContact CB-CB 3.76Å; P7-P43 HydrophobicContact CB-CG 3.95Å; P7-K79 WeakPolarHBondContact O-CE 3.47Å; P7-K79 PolarHBondContact O-NZ 3.36Å
8M98.8Very high96.6Very high8 Ų870.6 Ų70.64%0.03936%0.361CS..SBendtrans-65.4-36.6175.8-179.8173.7-72.800112.6L44 F75 M78 K79 V86M8-L44 WeakPolarHBondContact CB-O 3.24Å; M8-L44 HydrophobicContact CE-CD2 4.32Å; M8-L44 PolarHBondContact N-O 3.18Å; M8-F75 HydrophobicContact CB-CE2 3.96Å; M8-F75 HydrophobicContact CB-CZ 3.87Å; M8-F75 HydrophobicContact CE-CD2 3.49Å; M8-F75 VanDerWaalsContact CE-CD2 3.49Å; M8-F75 HydrophobicContact CE-CE2 3.65Å; M8-F75 HydrophobicContact CE-CG 4.13Å; M8-F75 HydrophobicContact CE-CZ 4.4Å; M8-M78 HydrophobicContact CE-CB 3.86Å; M8-M78 HydrophobicContact CE-SD 4.12Å; M8-M78 HydrophobicContact SD-CB 4.14Å; M8-K79 HydrophobicContact CG-CB 4.25Å; M8-K79 WeakPolarHBondContact O-CG 3.43Å; M8-V86 HydrophobicContact CE-CB 4.21Å; M8-V86 HydrophobicContact CE-CG2 3.96Å; M8-V86 HydrophobicContact SD-CB 3.85Å; M8-V86 HydrophobicContact SD-CG2 3.67Å
9F98.9Very high96.7Very high23 Ų2369.8 Ų69.810%0.10135%0.353CS..SBendtrans-142.8172.1178.963.8-88.9000110P7 P11 L13 L14 P43 Y85 T87P7-F9 VanDerWaalsContact C-N 3.35Å; P7-F9 WeakPolarHBondContact CB-O 3.37Å; F9-P11 VanDerWaalsContact O-CD 3.24Å; F9-P11 WeakPolarHBondContact O-CD 3.13Å; F9-L13 HydrophobicContact CD2-CD1 4.25Å; F9-L14 HydrophobicContact CE2-CD1 4.15Å; F9-L14 HydrophobicContact CE2-CD2 4.12Å; F9-L14 HydrophobicContact CE2-CG 3.86Å; F9-L14 HydrophobicContact CZ-CD1 3.96Å; F9-L14 HydrophobicContact CZ-CD2 4.06Å; F9-L14 HydrophobicContact CZ-CG 4.04Å; F9-P43 HydrophobicContact CD1-CB 3.69Å; F9-P43 HydrophobicContact CD1-CG 3.98Å; F9-P43 HydrophobicContact CD2-CG 3.93Å; F9-P43 HydrophobicContact CE1-CB 3.5Å; F9-P43 HydrophobicContact CE1-CG 3.75Å; F9-P43 HydrophobicContact CE2-CB 4.41Å; F9-P43 HydrophobicContact CE2-CG 3.72Å; F9-P43 HydrophobicContact CG-CB 4.22Å; F9-P43 HydrophobicContact CG-CG 4.07Å; F9-P43 HydrophobicContact CZ-CB 3.91Å; F9-P43 HydrophobicContact CZ-CG 3.62Å; F9-P43 WeakPolarHBondContact O-CG 3.47Å; F9-Y85 HydrophobicContact CB-CD1 4.2Å; F9-Y85 HydrophobicContact CB-CE1 4.33Å; F9-Y85 HydrophobicContact CD1-CD1 4.05Å; F9-Y85 HydrophobicContact CD1-CG 4.44Å; F9-Y85 AromaticContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CE1 4.2Å; F9-Y85 HydrophobicContact CE1-CD1 4.32Å; F9-Y85 AromaticContact CE2-CD1 3.95Å; F9-Y85 HydrophobicContact CE2-CD1 3.95Å; F9-Y85 AromaticContact CG-CD1 3.72Å; F9-Y85 HydrophobicContact CG-CD1 3.72Å; F9-Y85 HydrophobicContact CG-CE1 4.28Å; F9-Y85 HydrophobicContact CZ-CD1 4.26Å; F9-T87 WeakPolarHBondContact CZ-OG1 3.38Å
10D98.7Very high96.8Very high91 Ų9171.5 Ų71.549%0.48737%0.371SS..  trans-63.2116.8179.5-176.3-5.3000111.4S12 L13D10-S12 PolarHBondContact O-N 3.08Å; D10-S12 VanDerWaalsContact O-N 3.16Å; D10-S12 WeakPolarHBondContact OD1-CB 3.46Å; D10-S12 PolarHBondContact OD1-N 3.31Å; D10-S12 PolarHBondContact OD1-OG 2.89Å; D10-S12 PolarHBondContact OD2-OG 3.5Å; D10-L13 HydrophobicContact CB-CD1 4.35Å; D10-L13 HydrophobicContact CB-CG 4.32Å; D10-L13 WeakPolarHBondContact O-CB 3.36Å; D10-L13 PolarHBondContact O-N 2.97Å
11P98.6Very high96.8Very high47 Ų4771.9 Ų71.931%0.30537%0.371SS..THydrogen-bonded Turntrans-60.8-22.5179-20.631.9000114.5P7 F9 L13 L14 P43P7-P11 HydrophobicContact CB-CG 4.1Å; P7-P11 HydrophobicContact CG-CG 3.99Å; F9-P11 VanDerWaalsContact O-CD 3.24Å; F9-P11 WeakPolarHBondContact O-CD 3.13Å; P11-L13 PolarHBondContact O-N 2.67Å; P11-L14 PolarHBondContact O-N 2.71Å; P11-P43 HydrophobicContact CB-CG 4.14Å; P11-P43 HydrophobicContact CG-CG 3.96Å
12S98.4Very high97.9Very high31 Ų3164.4 Ų64.422%0.21734%0.335CS..Hα-helixtrans-59.2-33.8178.272.90000111.8D10 L14 K15 E16D10-S12 PolarHBondContact O-N 3.08Å; D10-S12 VanDerWaalsContact O-N 3.16Å; D10-S12 WeakPolarHBondContact OD1-CB 3.46Å; D10-S12 PolarHBondContact OD1-N 3.31Å; D10-S12 PolarHBondContact OD1-OG 2.89Å; D10-S12 PolarHBondContact OD2-OG 3.5Å; S12-L14 PolarHBondContact O-N 3.31Å; S12-L14 VanDerWaalsContact O-N 3.13Å; S12-K15 PolarHBondContact O-N 2.69Å; S12-E16 WeakPolarHBondContact O-CG 3.45Å; S12-E16 PolarHBondContact O-N 3.45Å
13L98.7Very high98.1Very high34 Ų3460.4 Ų60.418%0.17833%0.326CS..Hα-helixtrans-57.8-32.6-178-71175.8000113.1F9 D10 P11 V17 Y85 L144F9-L13 HydrophobicContact CD2-CD1 4.25Å; D10-L13 HydrophobicContact CB-CD1 4.35Å; D10-L13 HydrophobicContact CB-CG 4.32Å; D10-L13 WeakPolarHBondContact O-CB 3.36Å; D10-L13 PolarHBondContact O-N 2.97Å; P11-L13 PolarHBondContact O-N 2.67Å; L13-V17 WeakPolarHBondContact O-CG1 3.42Å; L13-Y85 HydrophobicContact CD1-CE1 3.91Å; L13-L144 HydrophobicContact CB-CD1 3.96Å
14L98.7Very high98.2Very high2 Ų258.4 Ų58.41%0.0131%0.314CS..Hα-helixtrans-74-34.3176.4-62.1173.3000112F9 P11 S12 V17 P32 L41 T87 T140 L141 L144F9-L14 HydrophobicContact CE2-CD1 4.15Å; F9-L14 HydrophobicContact CE2-CD2 4.12Å; F9-L14 HydrophobicContact CE2-CG 3.86Å; F9-L14 HydrophobicContact CZ-CD1 3.96Å; F9-L14 HydrophobicContact CZ-CD2 4.06Å; F9-L14 HydrophobicContact CZ-CG 4.04Å; P11-L14 PolarHBondContact O-N 2.71Å; S12-L14 PolarHBondContact O-N 3.31Å; S12-L14 VanDerWaalsContact O-N 3.13Å; L14-V17 WeakPolarHBondContact O-CG2 3.25Å; L14-P32 WeakPolarHBondContact O-CB 3.41Å; L14-L41 HydrophobicContact CD1-CG 4.32Å; L14-T87 HydrophobicContact CD1-CG2 3.83Å; L14-T87 HydrophobicContact CD2-CG2 4.13Å; L14-T140 HydrophobicContact CB-CG2 4.39Å; L14-T140 HydrophobicContact CD2-CG2 3.77Å; L14-L141 HydrophobicContact CD2-CD2 4.44Å; L14-L144 HydrophobicContact CD2-CD2 4.14Å
15K97.4Very high98.1Very high125 Ų12560.7 Ų60.754%0.54333%0.331SS..Hα-helixtrans-81.3-27.7-177.9-60.3179.9-176.3179.60112.3S12S12-K15 PolarHBondContact O-N 2.69Å
16E97.6Very high98.1Very high107 Ų10756.7 Ų56.750%0.531%0.312SS..THydrogen-bonded Turntrans-94.311.6-179.1-62.7178.6-173.300114.1S12 K147S12-E16 WeakPolarHBondContact O-CG 3.45Å; S12-E16 PolarHBondContact O-N 3.45Å; E16-K147 VanDerWaalsContact CB-NZ 3.31Å; E16-K147 PolarHBondContact O-NZ 2.84Å; E16-K147 IonicContact OE2-NZ 2.94Å; E16-K147 PolarHBondContact OE2-NZ 3.22Å
17V98.1Very high98Very high9 Ų957.9 Ų57.96%0.05532%0.322CS..SBendtrans-64.3143167-59.50000108.9L13 L14 W19 P32 T140 L143 L144L13-V17 WeakPolarHBondContact O-CG1 3.42Å; L14-V17 WeakPolarHBondContact O-CG2 3.25Å; V17-W19 HydrophobicContact CG2-CE3 4.02Å; V17-W19 PolarHBondContact O-N 2.86Å; V17-P32 HydrophobicContact CG2-CG 3.83Å; V17-T140 HydrophobicContact CG1-CG2 4.34Å; V17-T140 HydrophobicContact CG2-CG2 4.4Å; V17-L143 HydrophobicContact CB-CB 4.07Å; V17-L143 HydrophobicContact CG1-CB 4.43Å; V17-L144 HydrophobicContact CG1-CB 4.02Å
18D98.3Very high97.9Very high76 Ų7660.6 Ų60.641%0.40634%0.34SS..  trans-73.383.3174.2-175.50.4000110S20 Q21D18-S20 PolarHBondContact O-N 3.4Å; D18-S20 VanDerWaalsContact O-N 3.13Å; D18-S20 WeakPolarHBondContact OD1-CB 3.09Å; D18-S20 PolarHBondContact OD1-N 3.22Å; D18-S20 PolarHBondContact OD1-OG 3.23Å; D18-Q21 HydrophobicContact CB-CG 4.38Å; D18-Q21 WeakPolarHBondContact O-CB 3.24Å; D18-Q21 PolarHBondContact O-N 3.19Å; D18-Q21 WeakPolarHBondContact OD2-CG 3.33Å; D18-Q21 PolarHBondContact OD2-NE2 3.11Å
19W98.3Very high97.8Very high56 Ų5664.7 Ų64.721%0.21238%0.375CS..G310 helixtrans-63.8-16.1-176.5-162.6-114.6000113V17 Q21 N22 F26 I30 P32 L136 T140 L143V17-W19 HydrophobicContact CG2-CE3 4.02Å; V17-W19 PolarHBondContact O-N 2.86Å; W19-Q21 PolarHBondContact O-N 2.89Å; W19-N22 HydrophobicContact CD2-CB 4.27Å; W19-N22 HydrophobicContact CE3-CB 4.44Å; W19-N22 VanDerWaalsContact O-CB 3.3Å; W19-N22 WeakPolarHBondContact O-CB 3.22Å; W19-N22 PolarHBondContact O-N 3.46Å; W19-N22 VanDerWaalsContact O-N 3.16Å; W19-F26 HydrophobicContact CH2-CE2 4.09Å; W19-F26 HydrophobicContact CH2-CZ 4.08Å; W19-F26 HydrophobicContact CZ2-CD2 4.27Å; W19-F26 AromaticContact CZ2-CE2 3.67Å; W19-F26 HydrophobicContact CZ2-CE2 3.67Å; W19-F26 AromaticContact CZ2-CZ 3.95Å; W19-F26 HydrophobicContact CZ2-CZ 3.95Å; W19-I30 PolarHBondContact NE1-O 2.82Å; W19-P32 HydrophobicContact CD2-CG 4.11Å; W19-P32 HydrophobicContact CE3-CG 3.57Å; W19-P32 HydrophobicContact CH2-CG 4.28Å; W19-P32 HydrophobicContact CZ3-CG 3.66Å; W19-L136 HydrophobicContact CH2-CD1 3.86Å; W19-L136 HydrophobicContact CZ2-CD1 4.16Å; W19-T140 WeakPolarHBondContact CZ3-OG1 3.36Å; W19-L143 HydrophobicContact CE3-CD1 3.8Å; W19-L143 HydrophobicContact CZ3-CD1 4.17Å
20S97.5Very high97.7Very high103 Ų10364.5 Ų64.572%0.7238%0.375SS*.G310 helixtrans-65.7-22.4173.778.30000112.7D18 N22D18-S20 PolarHBondContact O-N 3.4Å; D18-S20 VanDerWaalsContact O-N 3.13Å; D18-S20 WeakPolarHBondContact OD1-CB 3.09Å; D18-S20 PolarHBondContact OD1-N 3.22Å; D18-S20 PolarHBondContact OD1-OG 3.23Å; S20-N22 VanDerWaalsContact C-N 3.31Å
21Q97.9Very high97.7Very high80 Ų8061.3 Ų61.337%0.37436%0.36SS..G310 helixtrans-84.70.7176.4-61.9-175.739.300113.5D18 W19 T23 L143D18-Q21 HydrophobicContact CB-CG 4.38Å; D18-Q21 WeakPolarHBondContact O-CB 3.24Å; D18-Q21 PolarHBondContact O-N 3.19Å; D18-Q21 WeakPolarHBondContact OD2-CG 3.33Å; D18-Q21 PolarHBondContact OD2-NE2 3.11Å; W19-Q21 PolarHBondContact O-N 2.89Å; Q21-T23 PolarHBondContact O-N 3.27Å; Q21-L143 HydrophobicContact CB-CD2 3.7Å
22N97.5Very high97.7Very high36 Ų3659.4 Ų59.419%0.19335%0.348CS..  trans-63.9130.8175.8162.663.9000111.2W19 S20 A24 S139 L143W19-N22 HydrophobicContact CD2-CB 4.27Å; W19-N22 HydrophobicContact CE3-CB 4.44Å; W19-N22 VanDerWaalsContact O-CB 3.3Å; W19-N22 WeakPolarHBondContact O-CB 3.22Å; W19-N22 PolarHBondContact O-N 3.46Å; W19-N22 VanDerWaalsContact O-N 3.16Å; S20-N22 VanDerWaalsContact C-N 3.31Å; N22-A24 PolarHBondContact ND2-O 3.16Å; N22-A24 PolarHBondContact OD1-N 2.98Å; N22-S139 WeakPolarHBondContact OD1-CB 3.34Å; N22-S139 PolarHBondContact OD1-OG 3.42Å; N22-L143 HydrophobicContact CB-CD1 4.27Å
23T97.3Very high97.7Very high100 Ų10061.6 Ų61.661%0.61336%0.36SS*.  trans-100.5-14.2178.556.90000113.8Q21 K167Q21-T23 PolarHBondContact O-N 3.27Å; T23-K167 PolarHBondContact OG1-O 3.01Å
24A97.5Very high97.7Very high5 Ų566.5 Ų66.54%0.04138%0.382CS..SBendtrans-80.7133.7-178.600000110.9N22 F26 K167 F168N22-A24 PolarHBondContact ND2-O 3.16Å; N22-A24 PolarHBondContact OD1-N 2.98Å; A24-F26 HydrophobicContact CB-CE2 4.03Å; A24-F26 HydrophobicContact CB-CZ 4.49Å; A24-F26 WeakPolarHBondContact O-CD2 3.34Å; A24-F26 PolarHBondContact O-N 2.85Å; A24-K167 HydrophobicContact CB-CB 4.45Å; A24-F168 HydrophobicContact CB-CD1 3.81Å; A24-F168 HydrophobicContact CB-CE1 3.5Å; A24-F168 HydrophobicContact CB-CZ 4.44Å
25T96.8Very high97.6Very high118 Ų11866.8 Ų66.872%0.72438%0.384SS*.  trans-71.1128.5174.5-45.60000110.7K135T25-K135 PolarHBondContact O-NZ 2.68Å
26F97.9Very high97.6Very high28 Ų2862.4 Ų62.412%0.12337%0.373CS..  trans-113.2137.3171.5-69.5-87.5000110W19 A24 P28 I30 Q132 K135 L136W19-F26 HydrophobicContact CH2-CE2 4.09Å; W19-F26 HydrophobicContact CH2-CZ 4.08Å; W19-F26 HydrophobicContact CZ2-CD2 4.27Å; W19-F26 AromaticContact CZ2-CE2 3.67Å; W19-F26 HydrophobicContact CZ2-CE2 3.67Å; W19-F26 AromaticContact CZ2-CZ 3.95Å; W19-F26 HydrophobicContact CZ2-CZ 3.95Å; A24-F26 HydrophobicContact CB-CE2 4.03Å; A24-F26 HydrophobicContact CB-CZ 4.49Å; A24-F26 WeakPolarHBondContact O-CD2 3.34Å; A24-F26 PolarHBondContact O-N 2.85Å; F26-P28 CarbonylContact C-O 2.99Å; F26-I30 HydrophobicContact CB-CG1 4.32Å; F26-I30 HydrophobicContact CD1-CD1 3.7Å; F26-I30 HydrophobicContact CD1-CG1 3.32Å; F26-I30 HydrophobicContact CE1-CD1 3.84Å; F26-I30 HydrophobicContact CE1-CG1 3.79Å; F26-I30 HydrophobicContact CG-CG1 4Å; F26-Q132 HydrophobicContact CD1-CB 4.25Å; F26-Q132 HydrophobicContact CE1-CB 4.47Å; F26-K135 HydrophobicContact CE1-CB 3.58Å; F26-K135 HydrophobicContact CZ-CB 3.73Å; F26-L136 HydrophobicContact CE1-CB 4.25Å
27S96.5Very high97.4Very high92 Ų9266.6 Ų66.664%0.64339%0.393SS*.SBendtrans-155.6108.1179.1-174.40000108.2Q132S27-Q132 VanDerWaalsContact O-CD 3.31Å; S27-Q132 PolarHBondContact O-NE2 2.97Å; S27-Q132 PolarHBondContact O-OE1 3.36Å
28P96.1Very high97.4Very high102 Ų10267.3 Ų67.366%0.66240%0.402SS*.SBendcis-62164.4-4.130.4-36.5000112.5F26 I30 Q132F26-P28 CarbonylContact C-O 2.99Å; P28-I30 PolarHBondContact O-N 3.12Å; P28-Q132 PolarHBondContact O-OE1 3.1Å
29A97.3Very high97.4Very high94 Ų9464.4 Ų64.478%0.77739%0.386SS*.  trans-64.4126.6175.600000110.1
30I97.8Very high97.4Very high19 Ų1964.5 Ų64.510%0.09739%0.393CS..  trans-129.6161.4172.360.2172000109.2W19 F26 P28 Q132 L136W19-I30 PolarHBondContact NE1-O 2.82Å; F26-I30 HydrophobicContact CB-CG1 4.32Å; F26-I30 HydrophobicContact CD1-CD1 3.7Å; F26-I30 HydrophobicContact CD1-CG1 3.32Å; F26-I30 HydrophobicContact CE1-CD1 3.84Å; F26-I30 HydrophobicContact CE1-CG1 3.79Å; F26-I30 HydrophobicContact CG-CG1 4Å; P28-I30 PolarHBondContact O-N 3.12Å; I30-Q132 HydrophobicContact CD1-CB 3.92Å; I30-L136 HydrophobicContact CD1-CB 4.1Å; I30-L136 HydrophobicContact CD1-CD2 4.38Å
31S98.2Very high97.5Very high24 Ų2460 Ų6017%0.16836%0.361CS..  trans-148.6167.7-178.5640000110.8T33 H34 P35S31-T33 PolarHBondContact O-N 2.91Å; S31-H34 PolarHBondContact N-O 2.95Å; S31-H34 CarbonylContact O-C 3.58Å; S31-H34 PolarHBondContact O-N 3.21Å; S31-H34 VanDerWaalsContact O-N 3.1Å; S31-H34 VanDerWaalsContact O-O 3.12Å; S31-H34 PolarHBondContact OG-N 3.34Å; S31-H34 VanDerWaalsContact OG-N 3.12Å; S31-P35 VanDerWaalsContact O-CA 3.24Å; S31-P35 WeakPolarHBondContact O-CA 3.35Å
32P98.4Very high97.5Very high7 Ų757.9 Ų57.95%0.04535%0.349CS..SBendtrans-54-35.9173-29.136.5000113.5L14 V17 W19 L41 T140L14-P32 WeakPolarHBondContact O-CB 3.41Å; V17-P32 HydrophobicContact CG2-CG 3.83Å; W19-P32 HydrophobicContact CD2-CG 4.11Å; W19-P32 HydrophobicContact CE3-CG 3.57Å; W19-P32 HydrophobicContact CH2-CG 4.28Å; W19-P32 HydrophobicContact CZ3-CG 3.66Å; P32-L41 HydrophobicContact CB-CD2 3.87Å; P32-L41 HydrophobicContact CG-CD2 4.44Å; P32-T140 HydrophobicContact CB-CG2 4.32Å; P32-T140 HydrophobicContact CG-CG2 3.91Å
33T97.9Very high97.6Very high76 Ų7656.3 Ų56.347%0.46634%0.341SS..SBendtrans-76.5-31.3178.8-45.60000112.7S31S31-T33 PolarHBondContact O-N 2.91Å
34H98Very high97.6Very high138 Ų13851.8 Ų51.864%0.63931%0.313SS*.  trans-134.178.6179.9-57.3102.3000109.4S31 G36S31-H34 PolarHBondContact N-O 2.95Å; S31-H34 CarbonylContact O-C 3.58Å; S31-H34 PolarHBondContact O-N 3.21Å; S31-H34 VanDerWaalsContact O-N 3.1Å; S31-H34 VanDerWaalsContact O-O 3.12Å; S31-H34 PolarHBondContact OG-N 3.34Å; S31-H34 VanDerWaalsContact OG-N 3.12Å; H34-G36 VanDerWaalsContact C-N 3.25Å; H34-G36 PolarHBondContact O-N 3.23Å
35P97.7Very high97.7Very high8 Ų851.7 Ų51.75%0.05231%0.312CS..  trans-76.6-12.1-170.331.8-38.6000113.7S31 L39 L41 L136S31-P35 VanDerWaalsContact O-CA 3.24Å; S31-P35 WeakPolarHBondContact O-CA 3.35Å; P35-L39 HydrophobicContact CB-CB 4.39Å; P35-L39 HydrophobicContact CG-CB 3.92Å; P35-L39 WeakPolarHBondContact CG-O 3.49Å; P35-L41 HydrophobicContact CB-CB 4.28Å; P35-L41 HydrophobicContact CG-CB 4.44Å; P35-L136 HydrophobicContact CB-CD2 3.42Å; P35-L136 VanDerWaalsContact CB-CD2 3.42Å
36G96.3Very high97.8Very high32 Ų3246.2 Ų46.233%0.3328%0.279SS..SBendtrans144.3162.3-175.400000110H34 G38 L39H34-G36 VanDerWaalsContact C-N 3.25Å; H34-G36 PolarHBondContact O-N 3.23Å; G36-G38 PolarHBondContact O-N 3.31Å; G36-L39 PolarHBondContact O-N 2.76Å
37E95.4Very high97.8Very high196 Ų19645.4 Ų45.492%0.91628%0.277SS*.THydrogen-bonded Turntrans-61.7131.7177.5-172.6176.5-17600111L39E37-L39 PolarHBondContact O-N 2.91Å
38G96.8Very high97.9Very high23 Ų2341 Ų4124%0.23725%0.247CC..THydrogen-bonded Turntrans68.810-178.900000114.9G36 D91 V92G36-G38 PolarHBondContact O-N 3.31Å; G38-D91 WeakPolarHBondContact O-CA 3.34Å; G38-V92 VanDerWaalsContact O-CG2 3.29Å; G38-V92 WeakPolarHBondContact O-CG2 3.35Å; G38-V92 PolarHBondContact O-N 3Å
39L98.1Very high98Very high15 Ų1537.8 Ų37.88%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-112.2146.6-177.3-58.9-174.5000112.3P35 G36 E37 V89 E90 D91 V98 K131 L133P35-L39 HydrophobicContact CB-CB 4.39Å; P35-L39 HydrophobicContact CG-CB 3.92Å; P35-L39 WeakPolarHBondContact CG-O 3.49Å; G36-L39 PolarHBondContact O-N 2.76Å; E37-L39 PolarHBondContact O-N 2.91Å; L39-V89 HydrophobicContact CB-CG1 4.15Å; L39-V89 HydrophobicContact CD1-CG1 4.24Å; L39-V89 HydrophobicContact CD2-CG1 4.33Å; L39-V89 HydrophobicContact CG-CG1 4.49Å; L39-E90 WeakPolarHBondContact CA-O 3.44Å; L39-D91 HydrophobicContact CD2-CB 3.8Å; L39-V98 HydrophobicContact CD2-CG2 4.34Å; L39-K131 HydrophobicContact CD1-CD 4.26Å; L39-L133 HydrophobicContact CD1-CD1 4.47Å; L39-L133 HydrophobicContact CD1-CD2 3.63Å
40V98.6Very high98.1Very high58 Ų5839 Ų3935%0.35222%0.217SC..EExtended strand (participates in β ladder)trans-130.5126172.1178.10000109.7R42 V89 E90 V92V40-R42 HydrophobicContact CG1-CB 4.11Å; V40-R42 HydrophobicContact CG1-CG 4.1Å; V40-V89 WeakPolarHBondContact O-CA 3.32Å; V40-E90 PolarHBondContact N-O 3.23Å; V40-E90 PolarHBondContact O-N 3.24Å; V40-V92 HydrophobicContact CB-CG1 4.23Å; V40-V92 HydrophobicContact CG2-CG1 3.61Å
41L98.9Very high98.1Very high9 Ų940.3 Ų40.35%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-91.8119.2169.4-17774.4000108.7L14 P32 P35 T87 V89 L136 L137 T140L14-L41 HydrophobicContact CD1-CG 4.32Å; P32-L41 HydrophobicContact CB-CD2 3.87Å; P32-L41 HydrophobicContact CG-CD2 4.44Å; P35-L41 HydrophobicContact CB-CB 4.28Å; P35-L41 HydrophobicContact CG-CB 4.44Å; L41-T87 HydrophobicContact CD1-CG2 3.7Å; L41-T87 HydrophobicContact CG-CG2 4.18Å; L41-V89 HydrophobicContact CD1-CG2 3.66Å; L41-L136 HydrophobicContact CD1-CD2 4.47Å; L41-L136 HydrophobicContact CD2-CD2 4.47Å; L41-L136 HydrophobicContact CD2-CG 4.35Å; L41-L137 HydrophobicContact CD1-CD2 3.76Å; L41-T140 HydrophobicContact CD2-CG2 4.02Å
42R98.9Very high98.1Very high35 Ų3539.9 Ų39.913%0.13222%0.22CC..EExtended strand (participates in β ladder)trans-153.8164.8-173.759173.5-17773.8-4.7112.9V40 D48 V88 E90V40-R42 HydrophobicContact CG1-CB 4.11Å; V40-R42 HydrophobicContact CG1-CG 4.1Å; R42-D48 IonicContact CZ-OD1 3.55Å; R42-D48 IonicContact CZ-OD2 3.36Å; R42-D48 IonicContact NH1-OD1 2.71Å; R42-D48 PolarHBondContact NH1-OD1 3.16Å; R42-D48 IonicContact NH1-OD2 3.58Å; R42-D48 PolarHBondContact NH1-OD2 3.34Å; R42-D48 IonicContact NH2-OD1 2.67Å; R42-D48 PolarHBondContact NH2-OD1 3Å; R42-D48 IonicContact NH2-OD2 2.97Å; R42-V88 HydrophobicContact CG-CG2 4.02Å; R42-V88 PolarHBondContact N-O 3.13Å; R42-V88 WeakPolarHBondContact O-CG2 3.06Å; R42-V88 PolarHBondContact O-N 2.93Å; R42-E90 IonicContact CZ-OE2 3.96Å; R42-E90 VanDerWaalsContact CZ-OE2 3.23Å; R42-E90 IonicContact NE-OE2 3.87Å; R42-E90 PolarHBondContact NE-OE2 3.45Å; R42-E90 IonicContact NH2-OE2 2.59Å; R42-E90 PolarHBondContact NH2-OE2 3.4Å
43P98.9Very high98.1Very high3 Ų340.3 Ų40.32%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-58.8151.6166.6-21.933.4000111.9P7 F9 P11P7-P43 HydrophobicContact CB-CB 3.76Å; P7-P43 HydrophobicContact CB-CG 3.95Å; F9-P43 HydrophobicContact CD1-CB 3.69Å; F9-P43 HydrophobicContact CD1-CG 3.98Å; F9-P43 HydrophobicContact CD2-CG 3.93Å; F9-P43 HydrophobicContact CE1-CB 3.5Å; F9-P43 HydrophobicContact CE1-CG 3.75Å; F9-P43 HydrophobicContact CE2-CB 4.41Å; F9-P43 HydrophobicContact CE2-CG 3.72Å; F9-P43 HydrophobicContact CG-CB 4.22Å; F9-P43 HydrophobicContact CG-CG 4.07Å; F9-P43 HydrophobicContact CZ-CB 3.91Å; F9-P43 HydrophobicContact CZ-CG 3.62Å; F9-P43 WeakPolarHBondContact O-CG 3.47Å; P11-P43 HydrophobicContact CB-CG 4.14Å; P11-P43 HydrophobicContact CG-CG 3.96Å
44L98.9Very high98.1Very high5 Ų539 Ų393%0.02621%0.209CC..  trans-60.3141.8165-171.972.6000110M8 D48 F53 F71 F75 V86 V88M8-L44 WeakPolarHBondContact CB-O 3.24Å; M8-L44 HydrophobicContact CE-CD2 4.32Å; M8-L44 PolarHBondContact N-O 3.18Å; L44-D48 HydrophobicContact CD1-CB 3.67Å; L44-F53 HydrophobicContact CD1-CD1 4.33Å; L44-F53 HydrophobicContact CD1-CD2 3.65Å; L44-F53 HydrophobicContact CD1-CE1 4.5Å; L44-F53 HydrophobicContact CD1-CE2 3.84Å; L44-F53 HydrophobicContact CD1-CG 3.91Å; L44-F53 HydrophobicContact CD1-CZ 4.27Å; L44-F53 HydrophobicContact CD2-CE1 4.23Å; L44-F53 HydrophobicContact CD2-CE2 4.39Å; L44-F53 HydrophobicContact CD2-CZ 4.06Å; L44-F71 HydrophobicContact CD2-CE2 4.23Å; L44-F71 HydrophobicContact CD2-CZ 4.28Å; L44-F75 HydrophobicContact CB-CE2 4.3Å; L44-F75 HydrophobicContact CD2-CD2 3.99Å; L44-F75 HydrophobicContact CD2-CE2 4.18Å; L44-F75 HydrophobicContact CG-CD2 4.36Å; L44-F75 HydrophobicContact CG-CE2 4.08Å; L44-F75 WeakPolarHBondContact O-CE2 3.32Å; L44-V86 HydrophobicContact CB-CB 4.09Å; L44-V86 HydrophobicContact CB-CG1 3.99Å; L44-V86 HydrophobicContact CD2-CB 4.3Å; L44-V86 HydrophobicContact CD2-CG1 3.86Å; L44-V86 HydrophobicContact CG-CG1 4.44Å; L44-V86 PolarHBondContact N-O 2.94Å; L44-V88 HydrophobicContact CB-CG1 4.39Å; L44-V88 HydrophobicContact CD1-CG1 3.74Å
45C98.8Very high98.1Very high3 Ų337.8 Ų37.82%0.0220%0.202CC..BIsolated β-bridgetrans-123.9167.2166.270.90000110.2T6 A47 D48 R51T6-C45 WeakPolarHBondContact O-CB 3.48Å; C45-A47 VanDerWaalsContact C-N 3.31Å; C45-A47 PolarHBondContact O-N 2.86Å; C45-D48 PolarHBondContact N-OD2 2.95Å; C45-D48 WeakPolarHBondContact O-CB 3.34Å; C45-D48 PolarHBondContact O-N 2.88Å; C45-D48 PolarHBondContact SG-OD1 3.37Å; C45-D48 VanDerWaalsContact SG-OD1 3.4Å; C45-D48 PolarHBondContact SG-OD2 3.41Å; C45-R51 PolarHBondContact SG-NH1 3.16Å
46T98.7Very high98.1Very high4 Ų437.6 Ų37.63%0.02520%0.2CC..G310 helixtrans-72.2-26.5-176.555.50000112.8P3 D4 D48 L49 F71 M72 F75P3-T46 WeakPolarHBondContact CA-OG1 3.41Å; D4-T46 PolarHBondContact N-OG1 2.83Å; D4-T46 PolarHBondContact O-N 3.21Å; D4-T46 PolarHBondContact O-OG1 3.42Å; T46-D48 PolarHBondContact O-N 2.76Å; T46-L49 VanDerWaalsContact O-CB 3.25Å; T46-L49 WeakPolarHBondContact O-CB 3.47Å; T46-L49 PolarHBondContact O-N 2.79Å; T46-L49 VanDerWaalsContact O-N 3.16Å; T46-F71 HydrophobicContact CG2-CE1 4.28Å; T46-F71 WeakPolarHBondContact O-CE1 3.4Å; T46-M72 HydrophobicContact CG2-CG 4.18Å; T46-F75 HydrophobicContact CG2-CB 4.13Å; T46-F75 HydrophobicContact CG2-CD1 3.38Å; T46-F75 HydrophobicContact CG2-CD2 4Å; T46-F75 HydrophobicContact CG2-CE1 3.68Å; T46-F75 HydrophobicContact CG2-CE2 4.25Å; T46-F75 HydrophobicContact CG2-CG 3.56Å; T46-F75 HydrophobicContact CG2-CZ 4.12Å
47A98.6Very high98.2Very high11 Ų1137.2 Ų37.29%0.09119%0.191CC..G310 helixtrans-60-23.2172.900000113.2D4 E5 C45 L49 N50D4-A47 WeakPolarHBondContact O-CB 3.39Å; D4-A47 PolarHBondContact O-N 3.22Å; E5-A47 WeakPolarHBondContact OE1-CB 3.16Å; C45-A47 VanDerWaalsContact C-N 3.31Å; C45-A47 PolarHBondContact O-N 2.86Å; A47-L49 PolarHBondContact O-N 2.86Å; A47-L49 VanDerWaalsContact O-N 3.11Å; A47-N50 PolarHBondContact O-N 2.92Å
48D98.8Very high98.4Very high0 Ų029.8 Ų29.80%017%0.167CC..G310 helixtrans-65.8-13.5177.6-61.3-31.7000113.5R42 L44 C45 T46 N50 R51 F53 I97R42-D48 IonicContact CZ-OD1 3.55Å; R42-D48 IonicContact CZ-OD2 3.36Å; R42-D48 IonicContact NH1-OD1 2.71Å; R42-D48 PolarHBondContact NH1-OD1 3.16Å; R42-D48 IonicContact NH1-OD2 3.58Å; R42-D48 PolarHBondContact NH1-OD2 3.34Å; R42-D48 IonicContact NH2-OD1 2.67Å; R42-D48 PolarHBondContact NH2-OD1 3Å; R42-D48 IonicContact NH2-OD2 2.97Å; L44-D48 HydrophobicContact CD1-CB 3.67Å; C45-D48 PolarHBondContact N-OD2 2.95Å; C45-D48 WeakPolarHBondContact O-CB 3.34Å; C45-D48 PolarHBondContact O-N 2.88Å; C45-D48 PolarHBondContact SG-OD1 3.37Å; C45-D48 VanDerWaalsContact SG-OD1 3.4Å; C45-D48 PolarHBondContact SG-OD2 3.41Å; T46-D48 PolarHBondContact O-N 2.76Å; D48-N50 PolarHBondContact O-N 3.41Å; D48-N50 VanDerWaalsContact O-N 3.16Å; D48-R51 PolarHBondContact O-N 3.29Å; D48-R51 WeakPolarHBondContact OD1-CD 3.29Å; D48-R51 IonicContact OD1-CZ 3.64Å; D48-R51 IonicContact OD1-NE 3.8Å; D48-R51 IonicContact OD1-NH1 3.98Å; D48-R51 PolarHBondContact OD1-NH1 3.42Å; D48-F53 HydrophobicContact CB-CB 4.34Å; D48-F53 VanDerWaalsContact O-CB 3.29Å; D48-F53 WeakPolarHBondContact O-CB 3.35Å; D48-F53 PolarHBondContact O-N 2.93Å; D48-I97 HydrophobicContact CB-CD1 4.43Å; D48-I97 HydrophobicContact CB-CG1 4.27Å
49L98Very high98.4Very high33 Ų3331.9 Ų31.917%0.17317%0.171CC..G310 helixtrans-48.9-37.5165.2-178.763.5000111.6P3 T46 A47 F54 P68 F71P3-L49 HydrophobicContact CG-CD2 4.24Å; T46-L49 VanDerWaalsContact O-CB 3.25Å; T46-L49 WeakPolarHBondContact O-CB 3.47Å; T46-L49 PolarHBondContact O-N 2.79Å; T46-L49 VanDerWaalsContact O-N 3.16Å; A47-L49 PolarHBondContact O-N 2.86Å; A47-L49 VanDerWaalsContact O-N 3.11Å; L49-F54 HydrophobicContact CD1-CD2 3.98Å; L49-F54 HydrophobicContact CD1-CE2 3.81Å; L49-P68 HydrophobicContact CD2-CB 3.79Å; L49-P68 HydrophobicContact CD2-CG 4.12Å; L49-F71 HydrophobicContact CB-CD1 3.9Å; L49-F71 HydrophobicContact CB-CE1 3.75Å; L49-F71 HydrophobicContact CD1-CB 4.23Å; L49-F71 HydrophobicContact CD1-CD1 3.91Å; L49-F71 HydrophobicContact CD1-CE1 4.46Å; L49-F71 HydrophobicContact CD1-CG 4.03Å; L49-F71 HydrophobicContact CD2-CD1 4.1Å; L49-F71 HydrophobicContact CG-CD1 4.19Å
50N97.8Very high98.4Very high119 Ų11935.2 Ų35.264%0.63619%0.188SC*.G310 helixtrans-991.1-178-54.1-56.2000113.3A47 D48A47-N50 PolarHBondContact O-N 2.92Å; D48-N50 PolarHBondContact O-N 3.41Å; D48-N50 VanDerWaalsContact O-N 3.16Å
51R98.4Very high98.3Very high48 Ų4836.5 Ų36.518%0.18120%0.196CC..THydrogen-bonded Turntrans-104.924.7178.6-59.6-171.2179.6116.2-0.9112.6E5 C45 D48 F53 E90 Q96 I97E5-R51 IonicContact OE1-CZ 2.69Å; E5-R51 IonicContact OE1-NH1 3.69Å; E5-R51 IonicContact OE1-NH2 3.5Å; E5-R51 PolarHBondContact OE1-NH2 3.31Å; E5-R51 IonicContact OE2-CZ 3.23Å; E5-R51 IonicContact OE2-NH1 3.63Å; E5-R51 PolarHBondContact OE2-NH1 2.86Å; E5-R51 IonicContact OE2-NH2 2.89Å; E5-R51 PolarHBondContact OE2-NH2 2.97Å; C45-R51 PolarHBondContact SG-NH1 3.16Å; D48-R51 PolarHBondContact O-N 3.29Å; D48-R51 WeakPolarHBondContact OD1-CD 3.29Å; D48-R51 IonicContact OD1-CZ 3.64Å; D48-R51 IonicContact OD1-NE 3.8Å; D48-R51 IonicContact OD1-NH1 3.98Å; D48-R51 PolarHBondContact OD1-NH1 3.42Å; R51-F53 PolarHBondContact O-N 2.92Å; R51-E90 WeakPolarHBondContact CD-OE1 3.27Å; R51-E90 IonicContact NE-OE1 3.27Å; R51-E90 PolarHBondContact NE-OE1 2.64Å; R51-Q96 CarbonylContact O-C 3.58Å; R51-Q96 WeakPolarHBondContact O-CA 3.43Å; R51-Q96 PolarHBondContact O-OE1 2.9Å; R51-I97 HydrophobicContact CB-CG1 4.13Å; R51-I97 PolarHBondContact O-N 3.23Å
52G97.7Very high98.1Very high15 Ų1545 Ų4516%0.15524%0.236CC..THydrogen-bonded Turntrans75.417.617600000115.3F54 K55 V56G52-F54 VanDerWaalsContact C-N 3.33Å; G52-F54 PolarHBondContact O-N 2.91Å; G52-K55 WeakPolarHBondContact O-CA 3.29Å; G52-K55 VanDerWaalsContact O-CB 3.29Å; G52-K55 WeakPolarHBondContact O-CB 3.46Å; G52-K55 PolarHBondContact O-N 3.34Å; G52-V56 PolarHBondContact O-N 3.13Å; G52-V56 VanDerWaalsContact O-N 3.08Å
53F98.6Very high98Very high15 Ų1545.8 Ų45.87%0.06624%0.244CC..Hα-helixtrans-51.6-50177173.6-113.2000112.6L44 D48 R51 K55 V56 L57 F71 V86 V88 I97 T100L44-F53 HydrophobicContact CD1-CD1 4.33Å; L44-F53 HydrophobicContact CD1-CD2 3.65Å; L44-F53 HydrophobicContact CD1-CE1 4.5Å; L44-F53 HydrophobicContact CD1-CE2 3.84Å; L44-F53 HydrophobicContact CD1-CG 3.91Å; L44-F53 HydrophobicContact CD1-CZ 4.27Å; L44-F53 HydrophobicContact CD2-CE1 4.23Å; L44-F53 HydrophobicContact CD2-CE2 4.39Å; L44-F53 HydrophobicContact CD2-CZ 4.06Å; D48-F53 HydrophobicContact CB-CB 4.34Å; D48-F53 VanDerWaalsContact O-CB 3.29Å; D48-F53 WeakPolarHBondContact O-CB 3.35Å; D48-F53 PolarHBondContact O-N 2.93Å; R51-F53 PolarHBondContact O-N 2.92Å; F53-K55 VanDerWaalsContact C-N 3.32Å; F53-K55 PolarHBondContact O-N 3.44Å; F53-V56 PolarHBondContact O-N 3.13Å; F53-L57 HydrophobicContact CE1-CD2 4.29Å; F53-L57 HydrophobicContact CZ-CD2 4.24Å; F53-L57 PolarHBondContact O-N 3.48Å; F53-F71 HydrophobicContact CD1-CE2 4.2Å; F53-F71 HydrophobicContact CE1-CE2 4.21Å; F53-V86 HydrophobicContact CE2-CG1 4.45Å; F53-V86 HydrophobicContact CZ-CG1 4.4Å; F53-V88 HydrophobicContact CD2-CG1 4.17Å; F53-V88 HydrophobicContact CE2-CG1 4.27Å; F53-I97 HydrophobicContact CB-CG1 4.37Å; F53-T100 HydrophobicContact CE2-CG2 4.16Å
54F98.3Very high97.8Very high49 Ų4948.4 Ų48.422%0.21527%0.272CS..Hα-helixtrans-69.6-25.6176.7-76.9-78.3000113.6L49 G52 G58 T63 V66 F71L49-F54 HydrophobicContact CD1-CD2 3.98Å; L49-F54 HydrophobicContact CD1-CE2 3.81Å; G52-F54 VanDerWaalsContact C-N 3.33Å; G52-F54 PolarHBondContact O-N 2.91Å; F54-G58 PolarHBondContact O-N 2.95Å; F54-T63 HydrophobicContact CD1-CG2 3.92Å; F54-V66 HydrophobicContact CD1-CG2 4.34Å; F54-V66 HydrophobicContact CE1-CB 4.25Å; F54-V66 HydrophobicContact CE1-CG1 4.32Å; F54-V66 HydrophobicContact CE1-CG2 3.77Å; F54-V66 HydrophobicContact CE2-CG1 4.22Å; F54-V66 HydrophobicContact CZ-CB 4.09Å; F54-V66 HydrophobicContact CZ-CG1 3.75Å; F54-V66 HydrophobicContact CZ-CG2 4.07Å; F54-F71 HydrophobicContact CE2-CB 4.33Å; F54-F71 AromaticContact CE2-CD2 3.61Å; F54-F71 HydrophobicContact CE2-CD2 3.61Å; F54-F71 HydrophobicContact CE2-CE2 4.15Å; F54-F71 HydrophobicContact CE2-CG 4.07Å; F54-F71 AromaticContact CZ-CD2 3.77Å; F54-F71 HydrophobicContact CZ-CD2 3.77Å; F54-F71 HydrophobicContact CZ-CE2 4.46Å; F54-F71 HydrophobicContact CZ-CG 4.46Å
55K97.7Very high97.6Very high113 Ų11355.2 Ų55.249%0.49131%0.313SS..Hα-helixtrans-62-46.1172.1-178.2-167.4171.4-165.50109.7G52 F53 E127G52-K55 WeakPolarHBondContact O-CA 3.29Å; G52-K55 VanDerWaalsContact O-CB 3.29Å; G52-K55 WeakPolarHBondContact O-CB 3.46Å; G52-K55 PolarHBondContact O-N 3.34Å; F53-K55 VanDerWaalsContact C-N 3.32Å; F53-K55 PolarHBondContact O-N 3.44Å; K55-E127 IonicContact NZ-OE1 3.76Å; K55-E127 PolarHBondContact NZ-OE1 3.2Å; K55-E127 IonicContact NZ-OE2 2.72Å
56V98.4Very high97.5Very high3 Ų357.5 Ų57.52%0.01833%0.327CS..Hα-helixtrans-67.5-47.4177.7179.20000111.1G52 F53 G58 Q59 I97 T100 V123G52-V56 PolarHBondContact O-N 3.13Å; G52-V56 VanDerWaalsContact O-N 3.08Å; F53-V56 PolarHBondContact O-N 3.13Å; V56-G58 VanDerWaalsContact C-N 3.25Å; V56-G58 PolarHBondContact O-N 3.49Å; V56-Q59 WeakPolarHBondContact O-CB 3.44Å; V56-Q59 PolarHBondContact O-N 3.22Å; V56-Q59 VanDerWaalsContact O-N 3.07Å; V56-I97 HydrophobicContact CG2-CB 4.49Å; V56-I97 HydrophobicContact CG2-CG2 4.28Å; V56-I97 WeakPolarHBondContact CG2-O 3.34Å; V56-T100 HydrophobicContact CG1-CG2 4.38Å; V56-V123 HydrophobicContact CG1-CG1 3.88Å; V56-V123 HydrophobicContact CG1-CG2 4.37Å
57L98.4Very high97.4Very high25 Ų2559.3 Ų59.313%0.13134%0.34CS..Hα-helixtrans-61.7-35.6-179.4-157.867.8000112.2F53 Q59 L60 T61 T63 T100 D121 V123F53-L57 HydrophobicContact CE1-CD2 4.29Å; F53-L57 HydrophobicContact CZ-CD2 4.24Å; F53-L57 PolarHBondContact O-N 3.48Å; L57-Q59 PolarHBondContact O-N 3.35Å; L57-L60 WeakPolarHBondContact O-CB 3.46Å; L57-L60 PolarHBondContact O-N 3.33Å; L57-T61 PolarHBondContact O-N 3.05Å; L57-T63 HydrophobicContact CB-CG2 4.04Å; L57-T63 HydrophobicContact CD2-CG2 4.2Å; L57-T63 HydrophobicContact CG-CG2 4.19Å; L57-T100 HydrophobicContact CD1-CG2 4.04Å; L57-D121 HydrophobicContact CD1-CB 4.18Å; L57-V123 HydrophobicContact CD1-CG1 4.29Å
58G98.2Very high97.4Very high40 Ų4062.1 Ų62.141%0.41236%0.357SS..THydrogen-bonded Turntrans-62.4-17175.300000115.1F54 V56 L60 T61F54-G58 PolarHBondContact O-N 2.95Å; V56-G58 VanDerWaalsContact C-N 3.25Å; V56-G58 PolarHBondContact O-N 3.49Å; G58-L60 VanDerWaalsContact C-N 3.3Å; G58-T61 WeakPolarHBondContact CA-O 3.41Å
59Q98Very high97.3Very high67 Ų6769.5 Ų69.531%0.31339%0.392SS..THydrogen-bonded Turntrans-78.4-16.2173.5-59.2-1702.900112.9V56 L57 V123 D126V56-Q59 WeakPolarHBondContact O-CB 3.44Å; V56-Q59 PolarHBondContact O-N 3.22Å; V56-Q59 VanDerWaalsContact O-N 3.07Å; L57-Q59 PolarHBondContact O-N 3.35Å; Q59-V123 HydrophobicContact CB-CG2 4.13Å; Q59-D126 PolarHBondContact NE2-OD1 2.85Å; Q59-D126 PolarHBondContact OE1-OD1 3.14Å
60L96.8Very high97.3Very high85 Ų8573.1 Ų73.145%0.44541%0.408SS..THydrogen-bonded Turntrans-91.5-45.8177.1-179.560.7000111.9L57 G58 V123L57-L60 WeakPolarHBondContact O-CB 3.46Å; L57-L60 PolarHBondContact O-N 3.33Å; G58-L60 VanDerWaalsContact C-N 3.3Å; L60-V123 HydrophobicContact CB-CB 3.94Å; L60-V123 HydrophobicContact CB-CG1 4.3Å; L60-V123 HydrophobicContact CB-CG2 4.08Å; L60-V123 HydrophobicContact CD2-CB 4.38Å
61T96.5Very high97.3Very high84 Ų8468 Ų6852%0.51538%0.38SS..SBendtrans-159.5170.1-172.7-168.70000110.8L57 G58 T63L57-T61 PolarHBondContact O-N 3.05Å; G58-T61 WeakPolarHBondContact CA-O 3.41Å; T61-T63 PolarHBondContact O-N 2.87Å
62E96.7Very high97.3Very high189 Ų18966.7 Ų66.788%0.88338%0.376SS*.  trans-65.2123.3173.9-66.9179.3-17200111.1
63T96.6Very high97.3Very high50 Ų5074 Ų7431%0.30740%0.404SS..  trans-92.2-17.2173.759.80000112.8F54 L57 T61 V66F54-T63 HydrophobicContact CD1-CG2 3.92Å; L57-T63 HydrophobicContact CB-CG2 4.04Å; L57-T63 HydrophobicContact CD2-CG2 4.2Å; L57-T63 HydrophobicContact CG-CG2 4.19Å; T61-T63 PolarHBondContact O-N 2.87Å; T63-V66 WeakPolarHBondContact O-CG2 3.39Å
64G94.6Very high97.3Very high59 Ų5976.3 Ų76.361%0.60842%0.422SS*.  trans64.8-163.9-170.100000113.3
65V94.8Very high97.3Very high147 Ų14774.2 Ų74.289%0.89141%0.412SS*.  trans-93.2115.4174.6-178.50000108.5
66V96.6Very high97.3Very high51 Ų5172.5 Ų72.531%0.30941%0.406SS..  trans-113.6122.7-176.4-176.40000109.9F54 T63 Q70 F71F54-V66 HydrophobicContact CD1-CG2 4.34Å; F54-V66 HydrophobicContact CE1-CB 4.25Å; F54-V66 HydrophobicContact CE1-CG1 4.32Å; F54-V66 HydrophobicContact CE1-CG2 3.77Å; F54-V66 HydrophobicContact CE2-CG1 4.22Å; F54-V66 HydrophobicContact CZ-CB 4.09Å; F54-V66 HydrophobicContact CZ-CG1 3.75Å; F54-V66 HydrophobicContact CZ-CG2 4.07Å; T63-V66 WeakPolarHBondContact O-CG2 3.39Å; V66-Q70 HydrophobicContact CG1-CB 4.17Å; V66-F71 HydrophobicContact CG1-CB 4.04Å
67S96.8Very high97.3Very high42 Ų4278.6 Ų78.629%0.29443%0.434SS..  trans-78.4154.8172.982.30000111.6E69 Q70 F71S67-E69 PolarHBondContact O-N 3.13Å; S67-Q70 PolarHBondContact O-N 2.58Å; S67-Q70 VanDerWaalsContact O-N 3.13Å; S67-Q70 WeakPolarHBondContact OG-CG 3.47Å; S67-Q70 PolarHBondContact OG-N 3.31Å; S67-Q70 VanDerWaalsContact OG-N 3.13Å; S67-Q70 PolarHBondContact OG-OE1 3.16Å; S67-F71 PolarHBondContact O-N 3.41Å
68P97.1Very high97.4Very high71 Ų7180 Ų8046%0.46144%0.441SS..Hα-helixtrans-54.2-37.9174-27.335000113.4L49 F71 M72L49-P68 HydrophobicContact CD2-CB 3.79Å; L49-P68 HydrophobicContact CD2-CG 4.12Å; P68-F71 PolarHBondContact O-N 3.27Å; P68-M72 HydrophobicContact CB-CE 4.07Å; P68-M72 WeakPolarHBondContact O-CB 3.38Å; P68-M72 VanDerWaalsContact O-CE 3.22Å; P68-M72 WeakPolarHBondContact O-CE 3.38Å; P68-M72 WeakPolarHBondContact O-CG 3.37Å; P68-M72 PolarHBondContact O-N 3.3Å
69E97.5Very high97.4Very high155 Ų15581 Ų8172%0.72443%0.434SS*.Hα-helixtrans-68.1-41.1177.4-78.3174.9149.600112.8S67 F71 K73S67-E69 PolarHBondContact O-N 3.13Å; E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 2.83Å; E69-K73 WeakPolarHBondContact O-CB 3.19Å; E69-K73 PolarHBondContact O-N 3.08Å
70Q97.6Very high97.4Very high108 Ų10886.8 Ų86.851%0.50546%0.458SS..Hα-helixtrans-61.9-43.3175.5-75.8173.6-46.500111.3V66 S67 S74V66-Q70 HydrophobicContact CG1-CB 4.17Å; S67-Q70 PolarHBondContact O-N 2.58Å; S67-Q70 VanDerWaalsContact O-N 3.13Å; S67-Q70 WeakPolarHBondContact OG-CG 3.47Å; S67-Q70 PolarHBondContact OG-N 3.31Å; S67-Q70 VanDerWaalsContact OG-N 3.13Å; S67-Q70 PolarHBondContact OG-OE1 3.16Å; Q70-S74 PolarHBondContact O-N 2.65Å; Q70-S74 VanDerWaalsContact O-N 3.16Å; Q70-S74 PolarHBondContact O-OG 3.39Å
71F98.2Very high97.5Very high13 Ų1385.1 Ų85.16%0.05745%0.453CS..Hα-helixtrans-63-55177171-109.3000111.7L44 T46 L49 F53 F54 V66 S67 P68 E69 K73 S74 F75L44-F71 HydrophobicContact CD2-CE2 4.23Å; L44-F71 HydrophobicContact CD2-CZ 4.28Å; T46-F71 HydrophobicContact CG2-CE1 4.28Å; T46-F71 WeakPolarHBondContact O-CE1 3.4Å; L49-F71 HydrophobicContact CB-CD1 3.9Å; L49-F71 HydrophobicContact CB-CE1 3.75Å; L49-F71 HydrophobicContact CD1-CB 4.23Å; L49-F71 HydrophobicContact CD1-CD1 3.91Å; L49-F71 HydrophobicContact CD1-CE1 4.46Å; L49-F71 HydrophobicContact CD1-CG 4.03Å; L49-F71 HydrophobicContact CD2-CD1 4.1Å; L49-F71 HydrophobicContact CG-CD1 4.19Å; F53-F71 HydrophobicContact CD1-CE2 4.2Å; F53-F71 HydrophobicContact CE1-CE2 4.21Å; F54-F71 HydrophobicContact CE2-CB 4.33Å; F54-F71 AromaticContact CE2-CD2 3.61Å; F54-F71 HydrophobicContact CE2-CD2 3.61Å; F54-F71 HydrophobicContact CE2-CE2 4.15Å; F54-F71 HydrophobicContact CE2-CG 4.07Å; F54-F71 AromaticContact CZ-CD2 3.77Å; F54-F71 HydrophobicContact CZ-CD2 3.77Å; F54-F71 HydrophobicContact CZ-CE2 4.46Å; F54-F71 HydrophobicContact CZ-CG 4.46Å; V66-F71 HydrophobicContact CG1-CB 4.04Å; S67-F71 PolarHBondContact O-N 3.41Å; P68-F71 PolarHBondContact O-N 3.27Å; E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 2.83Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.18Å; F71-S74 PolarHBondContact O-N 3Å; F71-S74 VanDerWaalsContact O-N 3.14Å; F71-F75 HydrophobicContact CZ-CD2 4.39Å; F71-F75 WeakPolarHBondContact O-CB 3.32Å; F71-F75 PolarHBondContact O-N 2.89Å
72M97.9Very high97.6Very high20 Ų2083.1 Ų83.110%0.09945%0.45CS..Hα-helixtrans-60.7-39.4-179.1-73.5-178.1-74.500112.2M1 T46 P68 S74 F75 E76M1-M72 HydrophobicContact CB-SD 3.99Å; M1-M72 WeakPolarHBondContact O-CE 3.3Å; T46-M72 HydrophobicContact CG2-CG 4.18Å; P68-M72 HydrophobicContact CB-CE 4.07Å; P68-M72 WeakPolarHBondContact O-CB 3.38Å; P68-M72 VanDerWaalsContact O-CE 3.22Å; P68-M72 WeakPolarHBondContact O-CE 3.38Å; P68-M72 WeakPolarHBondContact O-CG 3.37Å; P68-M72 PolarHBondContact O-N 3.3Å; M72-S74 VanDerWaalsContact C-N 3.34Å; M72-S74 PolarHBondContact O-N 3.03Å; M72-F75 PolarHBondContact O-N 3.42Å; M72-E76 WeakPolarHBondContact O-CB 3.5Å; M72-E76 WeakPolarHBondContact O-CG 3.38Å; M72-E76 PolarHBondContact O-N 3.23Å
73K98.1Very high97.7Very high168 Ų16876.1 Ų76.173%0.7342%0.418SS*.Hα-helixtrans-60.8-43.2176.3-178179.4178.5-179.30111.9E69 F71 H77E69-K73 WeakPolarHBondContact O-CB 3.19Å; E69-K73 PolarHBondContact O-N 3.08Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.18Å; K73-H77 PolarHBondContact O-N 2.94Å
74S98.4Very high97.8Very high64 Ų6477 Ų7745%0.44842%0.416SS..Hα-helixtrans-69-43.2178.4-55.70000111.3Q70 F71 M72 H77 M78Q70-S74 PolarHBondContact O-N 2.65Å; Q70-S74 VanDerWaalsContact O-N 3.16Å; Q70-S74 PolarHBondContact O-OG 3.39Å; F71-S74 PolarHBondContact O-N 3Å; F71-S74 VanDerWaalsContact O-N 3.14Å; M72-S74 VanDerWaalsContact C-N 3.34Å; M72-S74 PolarHBondContact O-N 3.03Å; S74-H77 PolarHBondContact O-N 3.22Å; S74-M78 WeakPolarHBondContact O-CG 3.49Å; S74-M78 PolarHBondContact O-N 2.84Å
75F98.7Very high98Very high4 Ų475.3 Ų75.32%0.01839%0.392CS..Hα-helixtrans-57.5-50.2176.1-179.6-82.8000111.9M8 L44 T46 F71 M72 H77 M78 K79M8-F75 HydrophobicContact CB-CE2 3.96Å; M8-F75 HydrophobicContact CB-CZ 3.87Å; M8-F75 HydrophobicContact CE-CD2 3.49Å; M8-F75 VanDerWaalsContact CE-CD2 3.49Å; M8-F75 HydrophobicContact CE-CE2 3.65Å; M8-F75 HydrophobicContact CE-CG 4.13Å; M8-F75 HydrophobicContact CE-CZ 4.4Å; L44-F75 HydrophobicContact CB-CE2 4.3Å; L44-F75 HydrophobicContact CD2-CD2 3.99Å; L44-F75 HydrophobicContact CD2-CE2 4.18Å; L44-F75 HydrophobicContact CG-CD2 4.36Å; L44-F75 HydrophobicContact CG-CE2 4.08Å; L44-F75 WeakPolarHBondContact O-CE2 3.32Å; T46-F75 HydrophobicContact CG2-CB 4.13Å; T46-F75 HydrophobicContact CG2-CD1 3.38Å; T46-F75 HydrophobicContact CG2-CD2 4Å; T46-F75 HydrophobicContact CG2-CE1 3.68Å; T46-F75 HydrophobicContact CG2-CE2 4.25Å; T46-F75 HydrophobicContact CG2-CG 3.56Å; T46-F75 HydrophobicContact CG2-CZ 4.12Å; F71-F75 HydrophobicContact CZ-CD2 4.39Å; F71-F75 WeakPolarHBondContact O-CB 3.32Å; F71-F75 PolarHBondContact O-N 2.89Å; M72-F75 PolarHBondContact O-N 3.42Å; F75-H77 VanDerWaalsContact C-N 3.32Å; F75-H77 PolarHBondContact O-N 3.25Å; F75-M78 PolarHBondContact O-N 3.47Å; F75-K79 HydrophobicContact CE1-CB 4.42Å; F75-K79 HydrophobicContact CE1-CD 3.82Å; F75-K79 WeakPolarHBondContact O-CB 3.48Å; F75-K79 PolarHBondContact O-N 3.32Å
76E98.5Very high98.2Very high77 Ų7768.7 Ų68.736%0.3635%0.352SS..Hα-helixtrans-64.7-35.9-178.9-74.8-55.6134.300112.4M72 K80M72-E76 WeakPolarHBondContact O-CB 3.5Å; M72-E76 WeakPolarHBondContact O-CG 3.38Å; M72-E76 PolarHBondContact O-N 3.23Å; E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.4Å
77H98.6Very high98.3Very high131 Ų13166.3 Ų66.361%0.60634%0.337SS*.Hα-helixtrans-62.7-48.9173.1177-87.3000111.8K73 S74 F75 K80 S81K73-H77 PolarHBondContact O-N 2.94Å; S74-H77 PolarHBondContact O-N 3.22Å; F75-H77 VanDerWaalsContact C-N 3.32Å; F75-H77 PolarHBondContact O-N 3.25Å; H77-K80 PolarHBondContact O-N 2.78Å; H77-S81 PolarHBondContact O-N 2.81Å
78M98.8Very high98.4Very high55 Ų5564.3 Ų64.327%0.27132%0.323SS..Hα-helixtrans-58.8-49.6177.5-71.9175.7-173.900111M8 S74 F75 K80 S81 Y84 V86M8-M78 HydrophobicContact CE-CB 3.86Å; M8-M78 HydrophobicContact CE-SD 4.12Å; M8-M78 HydrophobicContact SD-CB 4.14Å; S74-M78 WeakPolarHBondContact O-CG 3.49Å; S74-M78 PolarHBondContact O-N 2.84Å; F75-M78 PolarHBondContact O-N 3.47Å; M78-K80 PolarHBondContact O-N 3.36Å; M78-S81 PolarHBondContact O-N 3.08Å; M78-S81 PolarHBondContact O-OG 2.96Å; M78-Y84 HydrophobicContact CB-CD1 4.25Å; M78-Y84 HydrophobicContact CB-CD2 4.03Å; M78-Y84 HydrophobicContact CB-CG 3.75Å; M78-Y84 HydrophobicContact CE-CD1 4.42Å; M78-Y84 HydrophobicContact CE-CE1 4.24Å; M78-Y84 HydrophobicContact CG-CD1 3.75Å; M78-Y84 HydrophobicContact CG-CD2 4.01Å; M78-Y84 HydrophobicContact CG-CE1 4.06Å; M78-Y84 HydrophobicContact CG-CE2 4.3Å; M78-Y84 HydrophobicContact CG-CG 3.72Å; M78-Y84 HydrophobicContact SD-CD1 3.94Å; M78-Y84 HydrophobicContact SD-CE1 4.33Å; M78-Y84 HydrophobicContact SD-CG 4.39Å; M78-V86 HydrophobicContact SD-CG2 4.32Å
79K98.6Very high98.5Very high60 Ų6060.9 Ų60.926%0.26130%0.301SS..Hα-helixtrans-57.3-48.1177.5176.6166.4-176.5164.10112.5P7 M8 F75 S81 G82P7-K79 WeakPolarHBondContact O-CE 3.47Å; P7-K79 PolarHBondContact O-NZ 3.36Å; M8-K79 HydrophobicContact CG-CB 4.25Å; M8-K79 WeakPolarHBondContact O-CG 3.43Å; F75-K79 HydrophobicContact CE1-CB 4.42Å; F75-K79 HydrophobicContact CE1-CD 3.82Å; F75-K79 WeakPolarHBondContact O-CB 3.48Å; F75-K79 PolarHBondContact O-N 3.32Å; K79-S81 PolarHBondContact O-N 3.01Å; K79-G82 PolarHBondContact O-N 3.26Å
80K98.6Very high98.6Very high190 Ų19054.5 Ų54.583%0.82627%0.271SS*.Hα-helixtrans-61.4-30.8-179.1-177178.2177.6-176.70113E76 H77 M78 G82E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.4Å; H77-K80 PolarHBondContact O-N 2.78Å; M78-K80 PolarHBondContact O-N 3.36Å; K80-G82 VanDerWaalsContact C-N 3.32Å; K80-G82 PolarHBondContact O-N 3.13Å
81S98.4Very high98.6Very high49 Ų4949.8 Ų49.834%0.34325%0.25SC..Hα-helixtrans-68.1-30.3179.673.70000113.5H77 M78 K79 D83 Y84H77-S81 PolarHBondContact O-N 2.81Å; M78-S81 PolarHBondContact O-N 3.08Å; M78-S81 PolarHBondContact O-OG 2.96Å; K79-S81 PolarHBondContact O-N 3.01Å; S81-D83 PolarHBondContact O-N 2.9Å; S81-D83 PolarHBondContact OG-N 3.38Å; S81-D83 VanDerWaalsContact OG-N 3.12Å; S81-Y84 WeakPolarHBondContact OG-CD2 3.5Å
82G98.5Very high98.6Very high43 Ų4352.9 Ų52.944%0.44327%0.269SS..SBendtrans72.32.3-170.100000115K79 K80 Y85K79-G82 PolarHBondContact O-N 3.26Å; K80-G82 VanDerWaalsContact C-N 3.32Å; K80-G82 PolarHBondContact O-N 3.13Å; G82-Y85 PolarHBondContact O-OH 3.34Å; G82-Y85 VanDerWaalsContact O-OH 3.08Å
83D98.8Very high98.5Very high42 Ų4257 Ų5723%0.22530%0.296CS..  trans-107-2.6-172.4-76.1-29.3000113.9S81 I104 I105 H107S81-D83 PolarHBondContact O-N 2.9Å; S81-D83 PolarHBondContact OG-N 3.38Å; S81-D83 VanDerWaalsContact OG-N 3.12Å; D83-I104 CarbonylContact O-C 3.47Å; D83-I104 WeakPolarHBondContact O-CA 3.3Å; D83-I105 HydrophobicContact CB-CB 4.23Å; D83-I105 PolarHBondContact O-N 3.16Å; D83-H107 IonicContact OD1-CE1 2.82Å; D83-H107 PolarHBondContact OD1-CE1 3.49Å; D83-H107 IonicContact OD1-ND1 2.95Å; D83-H107 IonicContact OD2-CE1 2.89Å; D83-H107 PolarHBondContact OD2-CE1 3.46Å; D83-H107 IonicContact OD2-ND1 3.34Å; D83-H107 PolarHBondContact OD2-ND1 2.89Å
84Y98.9Very high98.4Very high67 Ų6754.3 Ų54.326%0.26329%0.289SS..EExtended strand (participates in β ladder)trans-110.7128178.8-77.3-99.7000111.6M78 S81 T102 I104M78-Y84 HydrophobicContact CB-CD1 4.25Å; M78-Y84 HydrophobicContact CB-CD2 4.03Å; M78-Y84 HydrophobicContact CB-CG 3.75Å; M78-Y84 HydrophobicContact CE-CD1 4.42Å; M78-Y84 HydrophobicContact CE-CE1 4.24Å; M78-Y84 HydrophobicContact CG-CD1 3.75Å; M78-Y84 HydrophobicContact CG-CD2 4.01Å; M78-Y84 HydrophobicContact CG-CE1 4.06Å; M78-Y84 HydrophobicContact CG-CE2 4.3Å; M78-Y84 HydrophobicContact CG-CG 3.72Å; M78-Y84 HydrophobicContact SD-CD1 3.94Å; M78-Y84 HydrophobicContact SD-CE1 4.33Å; M78-Y84 HydrophobicContact SD-CG 4.39Å; S81-Y84 WeakPolarHBondContact OG-CD2 3.5Å; Y84-T102 HydrophobicContact CD1-CG2 4.46Å; Y84-I104 HydrophobicContact CD1-CD1 4.36Å; Y84-I104 HydrophobicContact CD1-CG1 4.05Å; Y84-I104 HydrophobicContact CE1-CD1 3.77Å; Y84-I104 HydrophobicContact CE1-CG1 3.93Å; Y84-I104 HydrophobicContact CE1-CG2 4.32Å; Y84-I104 HydrophobicContact CE2-CG2 4.45Å
85Y98.9Very high98.4Very high24 Ų2452.6 Ų52.69%0.09428%0.281CS..EExtended strand (participates in β ladder)trans-123.859.3-178.8-59.8-98.7000109.7F9 L13 G82 T87 L103 I105 L144 L148F9-Y85 HydrophobicContact CB-CD1 4.2Å; F9-Y85 HydrophobicContact CB-CE1 4.33Å; F9-Y85 HydrophobicContact CD1-CD1 4.05Å; F9-Y85 HydrophobicContact CD1-CG 4.44Å; F9-Y85 AromaticContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CD1 3.69Å; F9-Y85 HydrophobicContact CD2-CE1 4.2Å; F9-Y85 HydrophobicContact CE1-CD1 4.32Å; F9-Y85 AromaticContact CE2-CD1 3.95Å; F9-Y85 HydrophobicContact CE2-CD1 3.95Å; F9-Y85 AromaticContact CG-CD1 3.72Å; F9-Y85 HydrophobicContact CG-CD1 3.72Å; F9-Y85 HydrophobicContact CG-CE1 4.28Å; F9-Y85 HydrophobicContact CZ-CD1 4.26Å; L13-Y85 HydrophobicContact CD1-CE1 3.91Å; G82-Y85 PolarHBondContact O-OH 3.34Å; G82-Y85 VanDerWaalsContact O-OH 3.08Å; Y85-T87 PolarHBondContact O-N 3.12Å; Y85-T87 VanDerWaalsContact O-N 3.13Å; Y85-T87 PolarHBondContact O-OG1 2.88Å; Y85-L103 HydrophobicContact CD2-CD2 4.33Å; Y85-L103 HydrophobicContact CD2-CG 4.3Å; Y85-L103 HydrophobicContact CG-CD2 4.41Å; Y85-L103 PolarHBondContact N-O 3.28Å; Y85-L103 PolarHBondContact O-N 3.08Å; Y85-I105 HydrophobicContact CD2-CG1 4.07Å; Y85-I105 HydrophobicContact CE2-CD1 4.42Å; Y85-I105 HydrophobicContact CE2-CG1 3.51Å; Y85-L144 HydrophobicContact CD1-CD2 3.81Å; Y85-L144 HydrophobicContact CE1-CD2 4.41Å; Y85-L144 HydrophobicContact CG-CD2 4.28Å; Y85-L148 HydrophobicContact CE1-CD1 3.85Å; Y85-L148 HydrophobicContact CE2-CD1 3.86Å; Y85-L148 VanDerWaalsContact CZ-CD1 3.48Å
86V98.9Very high98.4Very high8 Ų855.7 Ų55.75%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-66.7112.1176.2-172.80000108.4M8 L44 F53 M78 T102M8-V86 HydrophobicContact CE-CB 4.21Å; M8-V86 HydrophobicContact CE-CG2 3.96Å; M8-V86 HydrophobicContact SD-CB 3.85Å; M8-V86 HydrophobicContact SD-CG2 3.67Å; L44-V86 HydrophobicContact CB-CB 4.09Å; L44-V86 HydrophobicContact CB-CG1 3.99Å; L44-V86 HydrophobicContact CD2-CB 4.3Å; L44-V86 HydrophobicContact CD2-CG1 3.86Å; L44-V86 HydrophobicContact CG-CG1 4.44Å; L44-V86 PolarHBondContact N-O 2.94Å; F53-V86 HydrophobicContact CE2-CG1 4.45Å; F53-V86 HydrophobicContact CZ-CG1 4.4Å; M78-V86 HydrophobicContact SD-CG2 4.32Å; V86-T102 HydrophobicContact CG2-CG2 3.89Å
87T99Very high98.4Very high1 Ų152.3 Ų52.31%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-117.3131.4-169.8-58.80000109.8F9 L14 L41 Y85 T100 A101 L137F9-T87 WeakPolarHBondContact CZ-OG1 3.38Å; L14-T87 HydrophobicContact CD1-CG2 3.83Å; L14-T87 HydrophobicContact CD2-CG2 4.13Å; L41-T87 HydrophobicContact CD1-CG2 3.7Å; L41-T87 HydrophobicContact CG-CG2 4.18Å; Y85-T87 PolarHBondContact O-N 3.12Å; Y85-T87 VanDerWaalsContact O-N 3.13Å; Y85-T87 PolarHBondContact O-OG1 2.88Å; T87-T100 CarbonylContact O-C 3.56Å; T87-T100 VanDerWaalsContact O-CA 3.27Å; T87-T100 WeakPolarHBondContact O-CA 3.43Å; T87-T100 PolarHBondContact O-OG1 3Å; T87-A101 PolarHBondContact N-O 2.86Å; T87-A101 PolarHBondContact O-N 3.44Å; T87-L137 HydrophobicContact CG2-CD2 3.94Å
88V98.9Very high98.4Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-119.5154.8-177.6-61.90000111.3R42 L44 F53 I97 A99R42-V88 HydrophobicContact CG-CG2 4.02Å; R42-V88 PolarHBondContact N-O 3.13Å; R42-V88 WeakPolarHBondContact O-CG2 3.06Å; R42-V88 PolarHBondContact O-N 2.93Å; L44-V88 HydrophobicContact CB-CG1 4.39Å; L44-V88 HydrophobicContact CD1-CG1 3.74Å; F53-V88 HydrophobicContact CD2-CG1 4.17Å; F53-V88 HydrophobicContact CE2-CG1 4.27Å; V88-I97 HydrophobicContact CB-CD1 4Å; V88-I97 HydrophobicContact CB-CG2 4.03Å; V88-I97 HydrophobicContact CG1-CD1 4.49Å; V88-I97 HydrophobicContact CG1-CG2 4.11Å; V88-I97 HydrophobicContact CG2-CD1 3.81Å; V88-A99 CarbonylContact C-O 3.55Å; V88-A99 WeakPolarHBondContact CA-O 3.5Å
89V98.8Very high98.4Very high0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-107.9121.8160.8-176.90000107.6L39 V40 L41 V98 A99 L133 L137L39-V89 HydrophobicContact CB-CG1 4.15Å; L39-V89 HydrophobicContact CD1-CG1 4.24Å; L39-V89 HydrophobicContact CD2-CG1 4.33Å; L39-V89 HydrophobicContact CG-CG1 4.49Å; V40-V89 WeakPolarHBondContact O-CA 3.32Å; L41-V89 HydrophobicContact CD1-CG2 3.66Å; V89-V98 HydrophobicContact CB-CG2 4.15Å; V89-V98 HydrophobicContact CG1-CG2 3.87Å; V89-V98 WeakPolarHBondContact O-CG2 3.31Å; V89-V98 PolarHBondContact O-N 3.21Å; V89-A99 HydrophobicContact CB-CB 4.07Å; V89-A99 HydrophobicContact CG2-CB 4.15Å; V89-A99 PolarHBondContact N-O 3.5Å; V89-A99 PolarHBondContact O-N 3.25Å; V89-L133 HydrophobicContact CB-CD1 4.42Å; V89-L133 HydrophobicContact CG1-CD1 4.13Å; V89-L133 HydrophobicContact CG1-CD2 4.21Å; V89-L137 HydrophobicContact CG2-CD2 4.37Å; V89-L137 HydrophobicContact CG2-CG 4.36Å
90E98.7Very high98.4Very high21 Ų2140.9 Ų40.910%0.09823%0.228CC..EExtended strand (participates in β ladder)trans-99.6135171.7-178.6178.7-167.700109.7L39 V40 R42 R51 V92 Q96 I97L39-E90 WeakPolarHBondContact CA-O 3.44Å; V40-E90 PolarHBondContact N-O 3.23Å; V40-E90 PolarHBondContact O-N 3.24Å; R42-E90 IonicContact CZ-OE2 3.96Å; R42-E90 VanDerWaalsContact CZ-OE2 3.23Å; R42-E90 IonicContact NE-OE2 3.87Å; R42-E90 PolarHBondContact NE-OE2 3.45Å; R42-E90 IonicContact NH2-OE2 2.59Å; R42-E90 PolarHBondContact NH2-OE2 3.4Å; R51-E90 WeakPolarHBondContact CD-OE1 3.27Å; R51-E90 IonicContact NE-OE1 3.27Å; R51-E90 PolarHBondContact NE-OE1 2.64Å; E90-V92 HydrophobicContact CG-CG1 4.14Å; E90-Q96 WeakPolarHBondContact CA-O 3.46Å; E90-I97 HydrophobicContact CB-CD1 4Å; E90-I97 HydrophobicContact CG-CD1 4.41Å
91D98.2Very high98.4Very high9 Ų931.9 Ų31.95%0.04819%0.188CC..EExtended strand (participates in β ladder)trans-86.4103.3160.1-169.1-44.6000108G38 L39 T93 L94 G95 Q96 V98 K131G38-D91 WeakPolarHBondContact O-CA 3.34Å; L39-D91 HydrophobicContact CD2-CB 3.8Å; D91-T93 PolarHBondContact O-N 2.86Å; D91-T93 WeakPolarHBondContact OD1-CB 3.32Å; D91-T93 PolarHBondContact OD1-N 3.22Å; D91-T93 VanDerWaalsContact OD1-N 3.08Å; D91-T93 PolarHBondContact OD1-OG1 3.03Å; D91-L94 HydrophobicContact CB-CB 4.36Å; D91-L94 HydrophobicContact CB-CD1 4.34Å; D91-L94 HydrophobicContact CB-CG 4.44Å; D91-L94 PolarHBondContact O-N 3.4Å; D91-L94 PolarHBondContact OD1-N 3.37Å; D91-G95 PolarHBondContact O-N 2.88Å; D91-Q96 PolarHBondContact N-O 3.35Å; D91-Q96 PolarHBondContact O-N 2.92Å; D91-V98 HydrophobicContact CB-CG1 3.81Å; D91-V98 HydrophobicContact CB-CG2 4.37Å; D91-K131 IonicContact OD2-NZ 3.49Å; D91-K131 PolarHBondContact OD2-NZ 3.5Å
92V97.9Very high98.5Very high78 Ų7829.9 Ų29.947%0.47317%0.174SC..THydrogen-bonded Turntrans-73.1-14.5-173.9-63.10000112.5G38 V40 E90G38-V92 VanDerWaalsContact O-CG2 3.29Å; G38-V92 WeakPolarHBondContact O-CG2 3.35Å; G38-V92 PolarHBondContact O-N 3Å; V40-V92 HydrophobicContact CB-CG1 4.23Å; V40-V92 HydrophobicContact CG2-CG1 3.61Å; E90-V92 HydrophobicContact CG-CG1 4.14Å
93T97Very high98.5Very high107 Ų10727.8 Ų27.866%0.65615%0.153SC*.THydrogen-bonded Turntrans-75-31.5173.273.80000111.2D91D91-T93 PolarHBondContact O-N 2.86Å; D91-T93 WeakPolarHBondContact OD1-CB 3.32Å; D91-T93 PolarHBondContact OD1-N 3.22Å; D91-T93 VanDerWaalsContact OD1-N 3.08Å; D91-T93 PolarHBondContact OD1-OG1 3.03Å
94L96.2Very high98.5Very high111 Ų11127.4 Ų27.458%0.58115%0.15SC*.THydrogen-bonded Turntrans-96.6-19.9177.9-58.7178.9000113.1D91 Q96D91-L94 HydrophobicContact CB-CB 4.36Å; D91-L94 HydrophobicContact CB-CD1 4.34Å; D91-L94 HydrophobicContact CB-CG 4.44Å; D91-L94 PolarHBondContact O-N 3.4Å; D91-L94 PolarHBondContact OD1-N 3.37Å; L94-Q96 VanDerWaalsContact C-N 3.3Å; L94-Q96 HydrophobicContact CB-CB 4.22Å; L94-Q96 HydrophobicContact CB-CG 4.18Å
95G97.7Very high98.5Very high27 Ų2724.6 Ų24.628%0.27814%0.14SC..THydrogen-bonded Turntrans63.736.3-170.500000112.2D91D91-G95 PolarHBondContact O-N 2.88Å
96Q98.4Very high98.5Very high70 Ų7026.1 Ų26.133%0.32715%0.148SC..EExtended strand (participates in β ladder)trans-128.2141.5-175.7-67.7-64.6-5500111.5R51 E90 D91 L94R51-Q96 CarbonylContact O-C 3.58Å; R51-Q96 WeakPolarHBondContact O-CA 3.43Å; R51-Q96 PolarHBondContact O-OE1 2.9Å; E90-Q96 WeakPolarHBondContact CA-O 3.46Å; D91-Q96 PolarHBondContact N-O 3.35Å; D91-Q96 PolarHBondContact O-N 2.92Å; L94-Q96 VanDerWaalsContact C-N 3.3Å; L94-Q96 HydrophobicContact CB-CB 4.22Å; L94-Q96 HydrophobicContact CB-CG 4.18Å
97I98.7Very high98.5Very high5 Ų531.2 Ų31.23%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-68.8132.1165-57.2-48.6000108.3D48 R51 F53 V56 V88 E90D48-I97 HydrophobicContact CB-CD1 4.43Å; D48-I97 HydrophobicContact CB-CG1 4.27Å; R51-I97 HydrophobicContact CB-CG1 4.13Å; R51-I97 PolarHBondContact O-N 3.23Å; F53-I97 HydrophobicContact CB-CG1 4.37Å; V56-I97 HydrophobicContact CG2-CB 4.49Å; V56-I97 HydrophobicContact CG2-CG2 4.28Å; V56-I97 WeakPolarHBondContact CG2-O 3.34Å; V88-I97 HydrophobicContact CB-CD1 4Å; V88-I97 HydrophobicContact CB-CG2 4.03Å; V88-I97 HydrophobicContact CG1-CD1 4.49Å; V88-I97 HydrophobicContact CG1-CG2 4.11Å; V88-I97 HydrophobicContact CG2-CD1 3.81Å; E90-I97 HydrophobicContact CB-CD1 4Å; E90-I97 HydrophobicContact CG-CD1 4.41Å
98V98.5Very high98.4Very high6 Ų633.9 Ų33.94%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-122.1-12.2-178.2-65.20000113.2L39 V89 D91 S125 C128 L133L39-V98 HydrophobicContact CD2-CG2 4.34Å; V89-V98 HydrophobicContact CB-CG2 4.15Å; V89-V98 HydrophobicContact CG1-CG2 3.87Å; V89-V98 WeakPolarHBondContact O-CG2 3.31Å; V89-V98 PolarHBondContact O-N 3.21Å; D91-V98 HydrophobicContact CB-CG1 3.81Å; D91-V98 HydrophobicContact CB-CG2 4.37Å; V98-S125 VanDerWaalsContact O-CB 3.31Å; V98-S125 WeakPolarHBondContact O-CB 3.22Å; V98-S125 PolarHBondContact O-N 3.36Å; V98-C128 HydrophobicContact CB-CB 4.05Å; V98-C128 VanDerWaalsContact CG1-SG 3.6Å; V98-L133 HydrophobicContact CG2-CD1 3.82Å
99A98.7Very high98.4Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-156.7155.4170.600000111.2V88 V89 V123 V124 L133 L137V88-A99 CarbonylContact C-O 3.55Å; V88-A99 WeakPolarHBondContact CA-O 3.5Å; V89-A99 HydrophobicContact CB-CB 4.07Å; V89-A99 HydrophobicContact CG2-CB 4.15Å; V89-A99 PolarHBondContact N-O 3.5Å; V89-A99 PolarHBondContact O-N 3.25Å; A99-V123 CarbonylContact C-O 3.36Å; A99-V123 WeakPolarHBondContact CA-O 3.47Å; A99-V124 HydrophobicContact CB-CB 4.31Å; A99-V124 HydrophobicContact CB-CG1 4.27Å; A99-V124 HydrophobicContact CB-CG2 3.98Å; A99-L133 HydrophobicContact CB-CB 4Å; A99-L133 HydrophobicContact CB-CD1 4.07Å; A99-L137 HydrophobicContact CB-CD1 3.65Å
100T98.9Very high98.4Very high1 Ų147.6 Ų47.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-147.8153.1172.8-175.70000111.4F53 V56 L57 T87 V122 V123F53-T100 HydrophobicContact CE2-CG2 4.16Å; V56-T100 HydrophobicContact CG1-CG2 4.38Å; L57-T100 HydrophobicContact CD1-CG2 4.04Å; T87-T100 CarbonylContact O-C 3.56Å; T87-T100 VanDerWaalsContact O-CA 3.27Å; T87-T100 WeakPolarHBondContact O-CA 3.43Å; T87-T100 PolarHBondContact O-OG1 3Å; T100-V122 WeakPolarHBondContact O-CA 3.46Å; T100-V123 HydrophobicContact CG2-CG1 3.51Å; T100-V123 PolarHBondContact N-O 3.37Å; T100-V123 PolarHBondContact O-N 3.21Å
101A98.9Very high98.4Very high0 Ų052.4 Ų52.40%027%0.268CS..EExtended strand (participates in β ladder)trans-154.5152.7167.100000109.5T87 V122 L137 L141T87-A101 PolarHBondContact N-O 2.86Å; T87-A101 PolarHBondContact O-N 3.44Å; A101-V122 HydrophobicContact CB-CB 4.42Å; A101-V122 HydrophobicContact CB-CG1 4.45Å; A101-V122 HydrophobicContact CB-CG2 3.93Å; A101-L137 HydrophobicContact CB-CB 3.96Å; A101-L137 HydrophobicContact CB-CD1 4.14Å; A101-L137 HydrophobicContact CB-CD2 4.11Å; A101-L137 HydrophobicContact CB-CG 4.3Å; A101-L141 HydrophobicContact CB-CD1 3.65Å
102T98.9Very high98.4Very high7 Ų757.7 Ų57.74%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-117.3129.9-178.1-580000110.5Y84 V86 I104 V119 E120Y84-T102 HydrophobicContact CD1-CG2 4.46Å; V86-T102 HydrophobicContact CG2-CG2 3.89Å; T102-I104 HydrophobicContact CG2-CD1 4.36Å; T102-I104 HydrophobicContact CG2-CG1 3.76Å; T102-V119 VanDerWaalsContact O-CA 3.31Å; T102-V119 WeakPolarHBondContact O-CA 3.2Å; T102-E120 PolarHBondContact N-O 3.1Å; T102-E120 PolarHBondContact O-N 3.14Å
103L98.9Very high98.4Very high0 Ų058.2 Ų58.20%031%0.312CS..EExtended strand (participates in β ladder)trans-101.5130160.8166.170.1000109Y85 I105 R118 L141 L144 L148 I153Y85-L103 HydrophobicContact CD2-CD2 4.33Å; Y85-L103 HydrophobicContact CD2-CG 4.3Å; Y85-L103 HydrophobicContact CG-CD2 4.41Å; Y85-L103 PolarHBondContact N-O 3.28Å; Y85-L103 PolarHBondContact O-N 3.08Å; L103-I105 HydrophobicContact CD1-CD1 4.22Å; L103-I105 HydrophobicContact CD2-CD1 4.2Å; L103-I105 HydrophobicContact CG-CD1 4.18Å; L103-R118 CarbonylContact C-O 3.59Å; L103-R118 WeakPolarHBondContact CA-O 3.46Å; L103-L141 HydrophobicContact CB-CB 4.2Å; L103-L141 HydrophobicContact CB-CD1 4.2Å; L103-L141 HydrophobicContact CB-CD2 3.97Å; L103-L141 HydrophobicContact CB-CG 4.35Å; L103-L144 HydrophobicContact CD2-CB 4.23Å; L103-L144 HydrophobicContact CD2-CD2 4.05Å; L103-L144 HydrophobicContact CD2-CG 3.99Å; L103-L148 HydrophobicContact CD2-CD1 4.41Å; L103-I153 HydrophobicContact CD1-CD1 3.93Å
104I98.9Very high98.4Very high33 Ų3353.9 Ų53.917%0.16929%0.287CS..EExtended strand (participates in β ladder)trans-116.6132.7173.6-49.3174.9000109D83 Y84 T102 G117 R118 E120D83-I104 CarbonylContact O-C 3.47Å; D83-I104 WeakPolarHBondContact O-CA 3.3Å; Y84-I104 HydrophobicContact CD1-CD1 4.36Å; Y84-I104 HydrophobicContact CD1-CG1 4.05Å; Y84-I104 HydrophobicContact CE1-CD1 3.77Å; Y84-I104 HydrophobicContact CE1-CG1 3.93Å; Y84-I104 HydrophobicContact CE1-CG2 4.32Å; Y84-I104 HydrophobicContact CE2-CG2 4.45Å; T102-I104 HydrophobicContact CG2-CD1 4.36Å; T102-I104 HydrophobicContact CG2-CG1 3.76Å; I104-G117 CarbonylContact O-C 3.49Å; I104-G117 WeakPolarHBondContact O-CA 3.43Å; I104-R118 HydrophobicContact CB-CB 4.32Å; I104-R118 PolarHBondContact N-O 3.48Å; I104-R118 PolarHBondContact O-N 3.35Å; I104-E120 HydrophobicContact CD1-CG 4.02Å
105I98.9Very high98.6Very high8 Ų851.5 Ų51.54%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-96.7121.7174.4-55.4-61.1000109D83 Y85 L103 K115 L148 C150D83-I105 HydrophobicContact CB-CB 4.23Å; D83-I105 PolarHBondContact O-N 3.16Å; Y85-I105 HydrophobicContact CD2-CG1 4.07Å; Y85-I105 HydrophobicContact CE2-CD1 4.42Å; Y85-I105 HydrophobicContact CE2-CG1 3.51Å; L103-I105 HydrophobicContact CD1-CD1 4.22Å; L103-I105 HydrophobicContact CD2-CD1 4.2Å; L103-I105 HydrophobicContact CG-CD1 4.18Å; I105-K115 HydrophobicContact CG2-CB 4.05Å; I105-K115 HydrophobicContact CG2-CD 3.75Å; I105-K115 HydrophobicContact CG2-CG 3.99Å; I105-L148 HydrophobicContact CD1-CB 4.48Å; I105-L148 HydrophobicContact CD1-CD1 3.94Å; I105-L148 HydrophobicContact CG1-CD1 4.21Å; I105-C150 VanDerWaalsContact CD1-SG 3.56Å
106E98.8Very high98.6Very high56 Ų5651.2 Ų51.226%0.26226%0.262SS..EExtended strand (participates in β ladder)trans-111.3121177.1-169.6-172.8148.600109.2K108 K115 R116 R118E106-K108 VanDerWaalsContact CD-CE 3.45Å; E106-K108 WeakPolarHBondContact OE1-CE 3.47Å; E106-K108 IonicContact OE1-NZ 2.76Å; E106-K108 PolarHBondContact OE1-NZ 2.71Å; E106-K115 WeakPolarHBondContact O-CA 3.43Å; E106-R116 HydrophobicContact CB-CG 3.89Å; E106-R116 PolarHBondContact N-O 3.37Å; E106-R116 PolarHBondContact O-N 2.97Å; E106-R116 IonicContact OE1-NH1 2.87Å; E106-R116 WeakPolarHBondContact OE2-CD 3.48Å; E106-R116 IonicContact OE2-CZ 3.15Å; E106-R116 IonicContact OE2-NE 3.7Å; E106-R116 IonicContact OE2-NH1 3.3Å; E106-R116 PolarHBondContact OE2-NH1 3.48Å; E106-R118 IonicContact OE2-CZ 3.37Å; E106-R118 VanDerWaalsContact OE2-CZ 3.27Å; E106-R118 IonicContact OE2-NE 3.43Å; E106-R118 PolarHBondContact OE2-NE 2.97Å; E106-R118 IonicContact OE2-NH2 2.81Å; E106-R118 PolarHBondContact OE2-NH2 3.08Å
107H98.7Very high98.6Very high115 Ų11547.9 Ų47.953%0.53225%0.247SC..EExtended strand (participates in β ladder)trans-79.1138.9176.8-70.788.8000111.2D83D83-H107 IonicContact OD1-CE1 2.82Å; D83-H107 PolarHBondContact OD1-CE1 3.49Å; D83-H107 IonicContact OD1-ND1 2.95Å; D83-H107 IonicContact OD2-CE1 2.89Å; D83-H107 PolarHBondContact OD2-CE1 3.46Å; D83-H107 IonicContact OD2-ND1 3.34Å; D83-H107 PolarHBondContact OD2-ND1 2.89Å
108K98.6Very high98.6Very high58 Ų5850.8 Ų50.825%0.25226%0.257SS..  trans-131.2154.8-175.7-62-70.4-178.3164.60110.4E106 I110 C113 A114 R116E106-K108 VanDerWaalsContact CD-CE 3.45Å; E106-K108 WeakPolarHBondContact OE1-CE 3.47Å; E106-K108 IonicContact OE1-NZ 2.76Å; E106-K108 PolarHBondContact OE1-NZ 2.71Å; K108-I110 HydrophobicContact CB-CG1 3.84Å; K108-I110 HydrophobicContact CD-CG1 4.42Å; K108-I110 HydrophobicContact CG-CG1 4.31Å; K108-C113 CarbonylContact O-C 3.15Å; K108-C113 WeakPolarHBondContact O-CA 3.47Å; K108-A114 WeakPolarHBondContact CB-O 3.39Å; K108-A114 PolarHBondContact N-O 2.64Å; K108-A114 PolarHBondContact O-N 2.8Å; K108-R116 HydrophobicContact CG-CG 4.4Å
109F98.8Very high98.7Very high192 Ų19250.7 Ų50.784%0.84226%0.257SS*.SBendtrans-86.2-32.4164.4-65.7-59.9000112.4C113F109-C113 PolarHBondContact O-N 3.41Å
110I98.6Very high98.7Very high95 Ų9553.1 Ų53.149%0.48727%0.268SS..Hα-helixtrans-62.3159.4176.760.8166.6000111.6K108 S112 A114K108-I110 HydrophobicContact CB-CG1 3.84Å; K108-I110 HydrophobicContact CD-CG1 4.42Å; K108-I110 HydrophobicContact CG-CG1 4.31Å; I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 2.72Å; I110-A114 PolarHBondContact O-N 3.05Å
111H97.6Very high98.6Very high122 Ų12256.7 Ų56.757%0.56529%0.287SS*.Hα-helixtrans54.644.8-177.8-56.2-71.5000113.3A114 Y151H111-A114 HydrophobicContact CB-CB 3.78Å; H111-A114 WeakPolarHBondContact O-CB 3.3Å; H111-Y151 AromaticContact CD2-CE1 3.98Å; H111-Y151 AromaticContact CD2-CE2 3.49Å; H111-Y151 VanDerWaalsContact CD2-CE2 3.49Å; H111-Y151 WeakPolarHBondContact CD2-CE2 3.49Å; H111-Y151 AromaticContact CD2-CZ 3.47Å; H111-Y151 VanDerWaalsContact CD2-CZ 3.47Å; H111-Y151 AromaticContact NE2-CE2 3.55Å; H111-Y151 AromaticContact NE2-CZ 3.78Å
112S97.9Very high98.6Very high121 Ų12158 Ų5885%0.84630%0.295SS*.Hα-helixtrans60.454.9-179.9-1720000113.2I110 A114I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 2.72Å; S112-A114 VanDerWaalsContact C-N 3.34Å; S112-A114 PolarHBondContact O-N 3.06Å
113C97.9Very high98.6Very high89 Ų8958.2 Ų58.260%0.60130%0.296SS*.Hα-helixtrans58.340.5-179-620000114.1K108 F109K108-C113 CarbonylContact O-C 3.15Å; K108-C113 WeakPolarHBondContact O-CA 3.47Å; F109-C113 PolarHBondContact O-N 3.41Å
114A98.6Very high98.5Very high15 Ų1559.6 Ų59.612%0.12430%0.304CS..  trans-69166.9-173.800000113.9K108 I110 H111 S112 Y151K108-A114 WeakPolarHBondContact CB-O 3.39Å; K108-A114 PolarHBondContact N-O 2.64Å; K108-A114 PolarHBondContact O-N 2.8Å; I110-A114 PolarHBondContact O-N 3.05Å; H111-A114 HydrophobicContact CB-CB 3.78Å; H111-A114 WeakPolarHBondContact O-CB 3.3Å; S112-A114 VanDerWaalsContact C-N 3.34Å; S112-A114 PolarHBondContact O-N 3.06Å; A114-Y151 HydrophobicContact CB-CD1 3.68Å; A114-Y151 HydrophobicContact CB-CE1 4.46Å; A114-Y151 HydrophobicContact CB-CG 4.2Å
115K98.8Very high98.5Very high62 Ų6258.2 Ų58.227%0.2730%0.298SS..EExtended strand (participates in β ladder)trans-106146.7165.1-71.9177.2-78176.10110.2I105 E106 L148 C150 Y151I105-K115 HydrophobicContact CG2-CB 4.05Å; I105-K115 HydrophobicContact CG2-CD 3.75Å; I105-K115 HydrophobicContact CG2-CG 3.99Å; E106-K115 WeakPolarHBondContact O-CA 3.43Å; K115-L148 WeakPolarHBondContact CE-O 3.39Å; K115-L148 PolarHBondContact NZ-O 2.97Å; K115-C150 CarbonylContact O-C 3.58Å; K115-C150 WeakPolarHBondContact O-CA 3.24Å; K115-Y151 VanDerWaalsContact O-CD1 3.24Å; K115-Y151 WeakPolarHBondContact O-CD1 3.46Å; K115-Y151 PolarHBondContact O-N 3.05Å
116R98.8Very high98.3Very high21 Ų2161.9 Ų61.98%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-124.5149.8166.765.483.472.186.52.9110.9E106 K108 R118 C150 Y151 K152 T154E106-R116 HydrophobicContact CB-CG 3.89Å; E106-R116 PolarHBondContact N-O 3.37Å; E106-R116 PolarHBondContact O-N 2.97Å; E106-R116 IonicContact OE1-NH1 2.87Å; E106-R116 WeakPolarHBondContact OE2-CD 3.48Å; E106-R116 IonicContact OE2-CZ 3.15Å; E106-R116 IonicContact OE2-NE 3.7Å; E106-R116 IonicContact OE2-NH1 3.3Å; E106-R116 PolarHBondContact OE2-NH1 3.48Å; K108-R116 HydrophobicContact CG-CG 4.4Å; R116-R118 VanDerWaalsContact NH1-CZ 3.26Å; R116-C150 VanDerWaalsContact C-SG 3.54Å; R116-Y151 HydrophobicContact CB-CD1 4.05Å; R116-Y151 HydrophobicContact CB-CE1 3.7Å; R116-Y151 HydrophobicContact CG-CE1 4.48Å; R116-K152 CarbonylContact C-O 3.47Å; R116-K152 WeakPolarHBondContact CA-O 3.33Å; R116-K152 HydrophobicContact CB-CG 4.24Å; R116-K152 WeakPolarHBondContact CB-O 3.5Å; R116-T154 PolarHBondContact NH2-OG1 3.42Å
117G98.9Very high97.9Very high0 Ų065.8 Ų65.80%034%0.336CS..EExtended strand (participates in β ladder)trans-90.5151.617200000112.2I104 C150 K152 I153 T154I104-G117 CarbonylContact O-C 3.49Å; I104-G117 WeakPolarHBondContact O-CA 3.43Å; G117-C150 PolarHBondContact N-SG 3.24Å; G117-K152 PolarHBondContact N-O 3.23Å; G117-I153 WeakPolarHBondContact O-CA 3.34Å; G117-T154 PolarHBondContact O-N 3.36Å; G117-T154 VanDerWaalsContact O-N 3.13Å
118R98.9Very high97.4Very high66 Ų6660.7 Ų60.725%0.24931%0.313CS..EExtended strand (participates in β ladder)trans-128.8132.6162.9-63.3-178.3174.7-98.78.3109.4L103 I104 E106 R116 E120 T154L103-R118 CarbonylContact C-O 3.59Å; L103-R118 WeakPolarHBondContact CA-O 3.46Å; I104-R118 HydrophobicContact CB-CB 4.32Å; I104-R118 PolarHBondContact N-O 3.48Å; I104-R118 PolarHBondContact O-N 3.35Å; E106-R118 IonicContact OE2-CZ 3.37Å; E106-R118 VanDerWaalsContact OE2-CZ 3.27Å; E106-R118 IonicContact OE2-NE 3.43Å; E106-R118 PolarHBondContact OE2-NE 2.97Å; E106-R118 IonicContact OE2-NH2 2.81Å; E106-R118 PolarHBondContact OE2-NH2 3.08Å; R116-R118 VanDerWaalsContact NH1-CZ 3.26Å; R118-E120 HydrophobicContact CB-CG 4.49Å; R118-T154 WeakPolarHBondContact CA-O 3.29Å
119V98.9Very high96.7Very high3 Ų366.6 Ų66.62%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-99125.8168.4-177.30000108.5T102 V122 L138 I153 T154 L155 Y170T102-V119 VanDerWaalsContact O-CA 3.31Å; T102-V119 WeakPolarHBondContact O-CA 3.2Å; V119-V122 HydrophobicContact CG1-CG2 3.51Å; V119-L138 HydrophobicContact CG1-CD1 3.93Å; V119-L138 HydrophobicContact CG2-CD1 4.38Å; V119-I153 HydrophobicContact CG2-CD1 3.57Å; V119-I153 HydrophobicContact CG2-CG1 4.06Å; V119-T154 PolarHBondContact N-O 3Å; V119-L155 HydrophobicContact CB-CB 4.04Å; V119-L155 HydrophobicContact CB-CD2 4.19Å; V119-L155 WeakPolarHBondContact O-CB 3.31Å; V119-Y170 WeakPolarHBondContact CG2-OH 3.02Å
120E98.7Very high96.2Very high52 Ų5261.1 Ų61.124%0.24333%0.332CS..EExtended strand (participates in β ladder)trans-132.9165.3-178.9-61.3-62.416100110.4T102 I104 R118 V122T102-E120 PolarHBondContact N-O 3.1Å; T102-E120 PolarHBondContact O-N 3.14Å; I104-E120 HydrophobicContact CD1-CG 4.02Å; R118-E120 HydrophobicContact CB-CG 4.49Å; E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 3.3Å; E120-V122 VanDerWaalsContact O-N 3.15Å
121D98.3Very high95.9Very high75 Ų7560.8 Ų60.840%0.40133%0.327SS..EExtended strand (participates in β ladder)trans52.939.2166.7-55.6-32.9000115.6L57 V123L57-D121 HydrophobicContact CD1-CB 4.18Å; D121-V123 PolarHBondContact O-N 2.97Å
122V98.4Very high95.9Very high27 Ų2757 Ų5716%0.16431%0.309CS..EExtended strand (participates in β ladder)trans-78.4117.1179.6-176.40000110.4T100 A101 V119 E120 L138T100-V122 WeakPolarHBondContact O-CA 3.46Å; A101-V122 HydrophobicContact CB-CB 4.42Å; A101-V122 HydrophobicContact CB-CG1 4.45Å; A101-V122 HydrophobicContact CB-CG2 3.93Å; V119-V122 HydrophobicContact CG1-CG2 3.51Å; E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 3.3Å; E120-V122 VanDerWaalsContact O-N 3.15Å; V122-L138 HydrophobicContact CB-CD2 4.31Å; V122-L138 HydrophobicContact CG1-CD2 3.51Å; V122-L138 HydrophobicContact CG2-CD2 3.81Å
123V98.3Very high95.9Very high13 Ų1351.3 Ų51.38%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-150.9143175.157.20000111.9V56 L57 Q59 L60 A99 T100 D121V56-V123 HydrophobicContact CG1-CG1 3.88Å; V56-V123 HydrophobicContact CG1-CG2 4.37Å; L57-V123 HydrophobicContact CD1-CG1 4.29Å; Q59-V123 HydrophobicContact CB-CG2 4.13Å; L60-V123 HydrophobicContact CB-CB 3.94Å; L60-V123 HydrophobicContact CB-CG1 4.3Å; L60-V123 HydrophobicContact CB-CG2 4.08Å; L60-V123 HydrophobicContact CD2-CB 4.38Å; A99-V123 CarbonylContact C-O 3.36Å; A99-V123 WeakPolarHBondContact CA-O 3.47Å; T100-V123 HydrophobicContact CG2-CG1 3.51Å; T100-V123 PolarHBondContact N-O 3.37Å; T100-V123 PolarHBondContact O-N 3.21Å; D121-V123 PolarHBondContact O-N 2.97Å
124V98.3Very high95.9Very high28 Ų2847.6 Ų47.617%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-120.7131.7172.5-178.70000106.6A99 D126 L133A99-V124 HydrophobicContact CB-CB 4.31Å; A99-V124 HydrophobicContact CB-CG1 4.27Å; A99-V124 HydrophobicContact CB-CG2 3.98Å; V124-D126 PolarHBondContact O-N 3.4Å; V124-L133 HydrophobicContact CG1-CB 4.21Å; V124-L133 HydrophobicContact CG1-CD1 4.32Å; V124-L133 HydrophobicContact CG2-CB 4.16Å
125S97.9Very high95.9Very high5 Ų548.7 Ų48.74%0.03525%0.248CC..  trans-52.3132.7174.5175.30000110.2V98 E127 C128 R129V98-S125 VanDerWaalsContact O-CB 3.31Å; V98-S125 WeakPolarHBondContact O-CB 3.22Å; V98-S125 PolarHBondContact O-N 3.36Å; S125-E127 PolarHBondContact O-N 2.92Å; S125-E127 PolarHBondContact OG-N 3.28Å; S125-C128 CarbonylContact O-C 3.58Å; S125-C128 WeakPolarHBondContact O-CA 3.31Å; S125-C128 PolarHBondContact O-N 3.27Å; S125-R129 PolarHBondContact O-N 2.99Å
126D95.1Very high95.9Very high84 Ų8445.7 Ų45.745%0.44924%0.235SC..G310 helixtrans-51-39.4172.656.7-7.5000113.8Q59 V124 C128 R129Q59-D126 PolarHBondContact NE2-OD1 2.85Å; Q59-D126 PolarHBondContact OE1-OD1 3.14Å; V124-D126 PolarHBondContact O-N 3.4Å; D126-C128 PolarHBondContact O-N 3.49Å; D126-R129 PolarHBondContact O-N 3.33Å
127E89.9Confident95.9Very high138 Ų13844.7 Ų44.765%0.64523%0.231SC*.G310 helixtrans-63.2-20174.6-63.5169.8-152.700113.1K55 S125K55-E127 IonicContact NZ-OE1 3.76Å; K55-E127 PolarHBondContact NZ-OE1 3.2Å; K55-E127 IonicContact NZ-OE2 2.72Å; S125-E127 PolarHBondContact O-N 2.92Å; S125-E127 PolarHBondContact OG-N 3.28Å
128C88.8Confident95.8Very high9 Ų944.7 Ų44.76%0.06123%0.231CC..G310 helixtrans-118.216-176.6-770000114V98 S125 D126 K131 L133V98-C128 HydrophobicContact CB-CB 4.05Å; V98-C128 VanDerWaalsContact CG1-SG 3.6Å; S125-C128 CarbonylContact O-C 3.58Å; S125-C128 WeakPolarHBondContact O-CA 3.31Å; S125-C128 PolarHBondContact O-N 3.27Å; D126-C128 PolarHBondContact O-N 3.49Å; C128-K131 HydrophobicContact CB-CD 4.47Å; C128-L133 HydrophobicContact CB-CD1 4.49Å
129R83.3Confident95.8Very high182 Ų18241.8 Ų41.869%0.68722%0.221SC*.THydrogen-bonded Turntrans-63.1148.7172.4-69.6178.4-176.1177.85.9110.5S125 D126S125-R129 PolarHBondContact O-N 2.99Å; D126-R129 PolarHBondContact O-N 3.33Å
130G88.8Confident95.8Very high77 Ų7741.7 Ų41.779%0.79422%0.22SC*.THydrogen-bonded Turntrans92.6-20.2-176.400000114.9Q132G130-Q132 PolarHBondContact O-N 2.82Å; G130-Q132 VanDerWaalsContact O-N 3.08Å
131K92.7Very high95.8Very high87 Ų8739.2 Ų39.238%0.37821%0.209SC..SBendtrans-75.111.9175.2-63.2-170.8-179.4-176.40114.7L39 D91 C128 L133L39-K131 HydrophobicContact CD1-CD 4.26Å; D91-K131 IonicContact OD2-NZ 3.49Å; D91-K131 PolarHBondContact OD2-NZ 3.5Å; C128-K131 HydrophobicContact CB-CD 4.47Å; K131-L133 HydrophobicContact CB-CD1 4.3Å; K131-L133 HydrophobicContact CB-CD2 4.09Å; K131-L133 HydrophobicContact CB-CG 3.86Å; K131-L133 WeakPolarHBondContact O-CD2 3.45Å; K131-L133 PolarHBondContact O-N 2.98Å
132Q96.8Very high95.9Very high42 Ų4236.8 Ų36.820%0.19620%0.197CC..  trans60.711.8178.5-50.8-167.3-36.600116.3F26 S27 P28 I30 G130 G134 K135 L136F26-Q132 HydrophobicContact CD1-CB 4.25Å; F26-Q132 HydrophobicContact CE1-CB 4.47Å; S27-Q132 VanDerWaalsContact O-CD 3.31Å; S27-Q132 PolarHBondContact O-NE2 2.97Å; S27-Q132 PolarHBondContact O-OE1 3.36Å; P28-Q132 PolarHBondContact O-OE1 3.1Å; I30-Q132 HydrophobicContact CD1-CB 3.92Å; G130-Q132 PolarHBondContact O-N 2.82Å; G130-Q132 VanDerWaalsContact O-N 3.08Å; Q132-G134 PolarHBondContact O-N 2.95Å; Q132-K135 WeakPolarHBondContact O-CB 3.31Å; Q132-K135 PolarHBondContact O-N 2.89Å; Q132-L136 PolarHBondContact O-N 2.72Å; Q132-L136 VanDerWaalsContact O-N 3.08Å
133L98Very high95.9Very high2 Ų236.3 Ų36.31%0.0119%0.193CC..Hα-helixtrans-62-36.6-172.1-53.5-175.6000114.3L39 V89 V98 A99 V124 C128 K131 K135 L136 L137L39-L133 HydrophobicContact CD1-CD1 4.47Å; L39-L133 HydrophobicContact CD1-CD2 3.63Å; V89-L133 HydrophobicContact CB-CD1 4.42Å; V89-L133 HydrophobicContact CG1-CD1 4.13Å; V89-L133 HydrophobicContact CG1-CD2 4.21Å; V98-L133 HydrophobicContact CG2-CD1 3.82Å; A99-L133 HydrophobicContact CB-CB 4Å; A99-L133 HydrophobicContact CB-CD1 4.07Å; V124-L133 HydrophobicContact CG1-CB 4.21Å; V124-L133 HydrophobicContact CG1-CD1 4.32Å; V124-L133 HydrophobicContact CG2-CB 4.16Å; C128-L133 HydrophobicContact CB-CD1 4.49Å; K131-L133 HydrophobicContact CB-CD1 4.3Å; K131-L133 HydrophobicContact CB-CD2 4.09Å; K131-L133 HydrophobicContact CB-CG 3.86Å; K131-L133 WeakPolarHBondContact O-CD2 3.45Å; K131-L133 PolarHBondContact O-N 2.98Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 2.69Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3.48Å; L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 WeakPolarHBondContact O-CG 3.2Å; L133-L137 PolarHBondContact O-N 2.92Å
134G97.6Very high95.9Very high11 Ų1135.7 Ų35.711%0.11319%0.189CC..Hα-helixtrans-61-39.6174.700000111.7Q132 L138Q132-G134 PolarHBondContact O-N 2.95Å; G134-L138 WeakPolarHBondContact O-CB 3.41Å; G134-L138 WeakPolarHBondContact O-CD2 3.34Å; G134-L138 PolarHBondContact O-N 2.64Å; G134-L138 VanDerWaalsContact O-N 3.1Å
135K98.1Very high95.9Very high38 Ų3834.6 Ų34.617%0.16518%0.183CC..Hα-helixtrans-68.5-41.2176-63-173.6-64.2-179.70111.6T25 F26 Q132 L133 S139 F164 F168T25-K135 PolarHBondContact O-NZ 2.68Å; F26-K135 HydrophobicContact CE1-CB 3.58Å; F26-K135 HydrophobicContact CZ-CB 3.73Å; Q132-K135 WeakPolarHBondContact O-CB 3.31Å; Q132-K135 PolarHBondContact O-N 2.89Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 2.69Å; K135-S139 VanDerWaalsContact O-CB 3.3Å; K135-S139 WeakPolarHBondContact O-CB 3.38Å; K135-S139 PolarHBondContact O-N 3.15Å; K135-F164 HydrophobicContact CG-CE2 3.92Å; K135-F168 HydrophobicContact CB-CE1 4.08Å; K135-F168 HydrophobicContact CB-CZ 4.01Å; K135-F168 HydrophobicContact CG-CE1 4.48Å; K135-F168 HydrophobicContact CG-CZ 4.04Å; K135-F168 WeakPolarHBondContact O-CE1 3.49Å
136L98.6Very high96Very high0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-59.5-51.6177.9176.966.8000110.8W19 F26 I30 P35 L41 Q132 L133 T140W19-L136 HydrophobicContact CH2-CD1 3.86Å; W19-L136 HydrophobicContact CZ2-CD1 4.16Å; F26-L136 HydrophobicContact CE1-CB 4.25Å; I30-L136 HydrophobicContact CD1-CB 4.1Å; I30-L136 HydrophobicContact CD1-CD2 4.38Å; P35-L136 HydrophobicContact CB-CD2 3.42Å; P35-L136 VanDerWaalsContact CB-CD2 3.42Å; L41-L136 HydrophobicContact CD1-CD2 4.47Å; L41-L136 HydrophobicContact CD2-CD2 4.47Å; L41-L136 HydrophobicContact CD2-CG 4.35Å; Q132-L136 PolarHBondContact O-N 2.72Å; Q132-L136 VanDerWaalsContact O-N 3.08Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3.48Å; L136-T140 WeakPolarHBondContact O-CB 3.38Å; L136-T140 PolarHBondContact O-N 3.47Å; L136-T140 PolarHBondContact O-OG1 3.32Å
137L98.8Very high96.1Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-57.8-52.4178.3-77.3165000111.5L41 T87 V89 A99 A101 L133 T140 L141L41-L137 HydrophobicContact CD1-CD2 3.76Å; T87-L137 HydrophobicContact CG2-CD2 3.94Å; V89-L137 HydrophobicContact CG2-CD2 4.37Å; V89-L137 HydrophobicContact CG2-CG 4.36Å; A99-L137 HydrophobicContact CB-CD1 3.65Å; A101-L137 HydrophobicContact CB-CB 3.96Å; A101-L137 HydrophobicContact CB-CD1 4.14Å; A101-L137 HydrophobicContact CB-CD2 4.11Å; A101-L137 HydrophobicContact CB-CG 4.3Å; L133-L137 WeakPolarHBondContact O-CB 3.37Å; L133-L137 WeakPolarHBondContact O-CG 3.2Å; L133-L137 PolarHBondContact O-N 2.92Å; L137-T140 PolarHBondContact O-N 2.94Å; L137-L141 WeakPolarHBondContact O-CB 3.46Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 3.07Å
138L98.7Very high96.5Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-62.6-47.7-177-97.1-63.9000112.6V119 V122 G134 T140 T142 L155 F164 Y165 F168V119-L138 HydrophobicContact CG1-CD1 3.93Å; V119-L138 HydrophobicContact CG2-CD1 4.38Å; V122-L138 HydrophobicContact CB-CD2 4.31Å; V122-L138 HydrophobicContact CG1-CD2 3.51Å; V122-L138 HydrophobicContact CG2-CD2 3.81Å; G134-L138 WeakPolarHBondContact O-CB 3.41Å; G134-L138 WeakPolarHBondContact O-CD2 3.34Å; G134-L138 PolarHBondContact O-N 2.64Å; G134-L138 VanDerWaalsContact O-N 3.1Å; L138-T140 PolarHBondContact O-N 3.01Å; L138-T142 VanDerWaalsContact O-CB 3.22Å; L138-T142 WeakPolarHBondContact O-CB 3.31Å; L138-T142 PolarHBondContact O-N 3.18Å; L138-T142 PolarHBondContact O-OG1 2.9Å; L138-L155 HydrophobicContact CD1-CD2 4.1Å; L138-F164 HydrophobicContact CD2-CE1 4.14Å; L138-F164 HydrophobicContact CD2-CZ 4.49Å; L138-F164 HydrophobicContact CG-CE1 4.04Å; L138-F164 HydrophobicContact CG-CZ 4.5Å; L138-Y165 HydrophobicContact CD1-CD1 3.92Å; L138-Y165 HydrophobicContact CD1-CE1 3.86Å; L138-Y165 HydrophobicContact CD2-CE1 4.21Å; L138-Y165 HydrophobicContact CG-CD1 4.14Å; L138-Y165 HydrophobicContact CG-CE1 3.97Å; L138-F168 HydrophobicContact CB-CD1 4.11Å; L138-F168 HydrophobicContact CB-CD2 3.8Å; L138-F168 HydrophobicContact CB-CE1 3.9Å; L138-F168 HydrophobicContact CB-CE2 3.6Å; L138-F168 HydrophobicContact CB-CG 4.08Å; L138-F168 HydrophobicContact CB-CZ 3.66Å; L138-F168 HydrophobicContact CG-CD2 4.19Å; L138-F168 HydrophobicContact CG-CE2 3.96Å; L138-F168 HydrophobicContact CG-CZ 4.43Å
139S98.7Very high97Very high4 Ų441.5 Ų41.53%0.02821%0.213CC..Hα-helixtrans-61.2-45.9178.5-1710000111.2N22 K135 L141 T142 L143N22-S139 WeakPolarHBondContact OD1-CB 3.34Å; N22-S139 PolarHBondContact OD1-OG 3.42Å; K135-S139 VanDerWaalsContact O-CB 3.3Å; K135-S139 WeakPolarHBondContact O-CB 3.38Å; K135-S139 PolarHBondContact O-N 3.15Å; S139-L141 PolarHBondContact O-N 2.92Å; S139-T142 PolarHBondContact O-N 3.43Å; S139-L143 WeakPolarHBondContact O-CB 3.22Å; S139-L143 VanDerWaalsContact O-CG 3.3Å; S139-L143 WeakPolarHBondContact O-CG 3.38Å; S139-L143 PolarHBondContact O-N 3.3Å
140T98.9Very high97.7Very high1 Ų133.8 Ų33.81%0.00619%0.186CC..Hα-helixtrans-60.7-49.9179.9-510000111.8L14 V17 W19 P32 L41 L136 L137 L138 T142 L143 L144L14-T140 HydrophobicContact CB-CG2 4.39Å; L14-T140 HydrophobicContact CD2-CG2 3.77Å; V17-T140 HydrophobicContact CG1-CG2 4.34Å; V17-T140 HydrophobicContact CG2-CG2 4.4Å; W19-T140 WeakPolarHBondContact CZ3-OG1 3.36Å; P32-T140 HydrophobicContact CB-CG2 4.32Å; P32-T140 HydrophobicContact CG-CG2 3.91Å; L41-T140 HydrophobicContact CD2-CG2 4.02Å; L136-T140 WeakPolarHBondContact O-CB 3.38Å; L136-T140 PolarHBondContact O-N 3.47Å; L136-T140 PolarHBondContact O-OG1 3.32Å; L137-T140 PolarHBondContact O-N 2.94Å; L138-T140 PolarHBondContact O-N 3.01Å; T140-T142 VanDerWaalsContact C-N 3.35Å; T140-T142 PolarHBondContact O-N 3.43Å; T140-L143 PolarHBondContact O-N 2.87Å; T140-L144 VanDerWaalsContact O-CB 3.31Å; T140-L144 WeakPolarHBondContact O-CB 3.31Å; T140-L144 PolarHBondContact O-N 3.41Å
141L98.9Very high98.2Very high0 Ų034.1 Ų34.10%016%0.164CC..Hα-helixtrans-69.9-32.2-178.4-66.7-174.7000112.8L14 A101 L103 L137 S139 L144 S145L14-L141 HydrophobicContact CD2-CD2 4.44Å; A101-L141 HydrophobicContact CB-CD1 3.65Å; L103-L141 HydrophobicContact CB-CB 4.2Å; L103-L141 HydrophobicContact CB-CD1 4.2Å; L103-L141 HydrophobicContact CB-CD2 3.97Å; L103-L141 HydrophobicContact CB-CG 4.35Å; L137-L141 WeakPolarHBondContact O-CB 3.46Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 3.07Å; S139-L141 PolarHBondContact O-N 2.92Å; L141-L144 HydrophobicContact CD2-CD2 4.32Å; L141-L144 PolarHBondContact O-N 3.34Å; L141-S145 PolarHBondContact O-N 2.78Å
142T98.9Very high98.5Very high24 Ų2433.7 Ų33.715%0.14716%0.162CC..Hα-helixtrans-63.8-48.9173.5-580000110.3L138 S139 T140 S145 K146 I153 Y170L138-T142 VanDerWaalsContact O-CB 3.22Å; L138-T142 WeakPolarHBondContact O-CB 3.31Å; L138-T142 PolarHBondContact O-N 3.18Å; L138-T142 PolarHBondContact O-OG1 2.9Å; S139-T142 PolarHBondContact O-N 3.43Å; T140-T142 VanDerWaalsContact C-N 3.35Å; T140-T142 PolarHBondContact O-N 3.43Å; T142-S145 PolarHBondContact O-N 3.06Å; T142-S145 PolarHBondContact O-OG 3.15Å; T142-K146 PolarHBondContact O-N 2.83Å; T142-I153 HydrophobicContact CG2-CG2 4.41Å; T142-Y170 HydrophobicContact CG2-CE2 4.33Å; T142-Y170 PolarHBondContact OG1-OH 2.85Å; T142-Y170 VanDerWaalsContact OG1-OH 3.14Å
143L98.8Very high98.6Very high17 Ų1733.3 Ų33.39%0.08916%0.161CC..Hα-helixtrans-66.5-37.5177.5-67.5173.6000112.4V17 W19 Q21 N22 S139 T140 K146 K147V17-L143 HydrophobicContact CB-CB 4.07Å; V17-L143 HydrophobicContact CG1-CB 4.43Å; W19-L143 HydrophobicContact CE3-CD1 3.8Å; W19-L143 HydrophobicContact CZ3-CD1 4.17Å; Q21-L143 HydrophobicContact CB-CD2 3.7Å; N22-L143 HydrophobicContact CB-CD1 4.27Å; S139-L143 WeakPolarHBondContact O-CB 3.22Å; S139-L143 VanDerWaalsContact O-CG 3.3Å; S139-L143 WeakPolarHBondContact O-CG 3.38Å; S139-L143 PolarHBondContact O-N 3.3Å; T140-L143 PolarHBondContact O-N 2.87Å; L143-K146 WeakPolarHBondContact O-CB 3.4Å; L143-K146 PolarHBondContact O-N 2.87Å; L143-K147 PolarHBondContact O-N 2.87Å
144L98.9Very high98.6Very high0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-61.3-44.1174.5179.357.6000111.2L13 L14 V17 Y85 L103 T140 L141 K146 K147 L148L13-L144 HydrophobicContact CB-CD1 3.96Å; L14-L144 HydrophobicContact CD2-CD2 4.14Å; V17-L144 HydrophobicContact CG1-CB 4.02Å; Y85-L144 HydrophobicContact CD1-CD2 3.81Å; Y85-L144 HydrophobicContact CE1-CD2 4.41Å; Y85-L144 HydrophobicContact CG-CD2 4.28Å; L103-L144 HydrophobicContact CD2-CB 4.23Å; L103-L144 HydrophobicContact CD2-CD2 4.05Å; L103-L144 HydrophobicContact CD2-CG 3.99Å; T140-L144 VanDerWaalsContact O-CB 3.31Å; T140-L144 WeakPolarHBondContact O-CB 3.31Å; T140-L144 PolarHBondContact O-N 3.41Å; L141-L144 HydrophobicContact CD2-CD2 4.32Å; L141-L144 PolarHBondContact O-N 3.34Å; L144-K146 PolarHBondContact O-N 3.47Å; L144-K147 PolarHBondContact O-N 2.93Å; L144-K147 VanDerWaalsContact O-N 3.14Å; L144-L148 HydrophobicContact CD1-CD1 4.02Å; L144-L148 HydrophobicContact CD1-CG 4.01Å; L144-L148 HydrophobicContact CG-CD1 3.92Å; L144-L148 HydrophobicContact CG-CG 4.33Å; L144-L148 WeakPolarHBondContact O-CB 3.4Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 2.89Å
145S98.8Very high98.7Very high5 Ų536.1 Ų36.14%0.03518%0.175CC..Hα-helixtrans-59.1-36.6176.179.50000112.6L141 T142 L148 N149 C150 I153L141-S145 PolarHBondContact O-N 2.78Å; T142-S145 PolarHBondContact O-N 3.06Å; T142-S145 PolarHBondContact O-OG 3.15Å; S145-L148 CarbonylContact O-C 3.6Å; S145-L148 PolarHBondContact O-N 2.86Å; S145-N149 PolarHBondContact O-N 3.03Å; S145-C150 VanDerWaalsContact O-CB 3.29Å; S145-C150 WeakPolarHBondContact O-CB 3.42Å; S145-C150 PolarHBondContact O-N 3.45Å; S145-C150 PolarHBondContact O-SG 3.14Å; S145-I153 WeakPolarHBondContact OG-CD1 3.36Å
146K98.5Very high98.7Very high129 Ų12938.2 Ų38.256%0.56119%0.185SC*.Hα-helixtrans-67.7-45.3174.8-169.9177.4-176.9-179.90111.5T142 L143 L144 L148 N149T142-K146 PolarHBondContact O-N 2.83Å; L143-K146 WeakPolarHBondContact O-CB 3.4Å; L143-K146 PolarHBondContact O-N 2.87Å; L144-K146 PolarHBondContact O-N 3.47Å; K146-L148 PolarHBondContact O-N 3.13Å; K146-N149 WeakPolarHBondContact O-CA 3.19Å; K146-N149 PolarHBondContact O-N 3.25Å
147K98.5Very high98.7Very high94 Ų9440.7 Ų40.741%0.40920%0.202SC..Hα-helixtrans-58.6-37.5173.8179.7179.61681070111.6E16 L143 L144 N149E16-K147 VanDerWaalsContact CB-NZ 3.31Å; E16-K147 PolarHBondContact O-NZ 2.84Å; E16-K147 IonicContact OE2-NZ 2.94Å; E16-K147 PolarHBondContact OE2-NZ 3.22Å; L143-K147 PolarHBondContact O-N 2.87Å; L144-K147 PolarHBondContact O-N 2.93Å; L144-K147 VanDerWaalsContact O-N 3.14Å; K147-N149 PolarHBondContact O-N 3.18Å
148L98.6Very high98.6Very high30 Ų3045.8 Ų45.816%0.15723%0.229CC..THydrogen-bonded Turntrans-77.910.6175.6-64.1174.5000113.5Y85 L103 I105 K115 L144 S145 K146 C150Y85-L148 HydrophobicContact CE1-CD1 3.85Å; Y85-L148 HydrophobicContact CE2-CD1 3.86Å; Y85-L148 VanDerWaalsContact CZ-CD1 3.48Å; L103-L148 HydrophobicContact CD2-CD1 4.41Å; I105-L148 HydrophobicContact CD1-CB 4.48Å; I105-L148 HydrophobicContact CD1-CD1 3.94Å; I105-L148 HydrophobicContact CG1-CD1 4.21Å; K115-L148 WeakPolarHBondContact CE-O 3.39Å; K115-L148 PolarHBondContact NZ-O 2.97Å; L144-L148 HydrophobicContact CD1-CD1 4.02Å; L144-L148 HydrophobicContact CD1-CG 4.01Å; L144-L148 HydrophobicContact CG-CD1 3.92Å; L144-L148 HydrophobicContact CG-CG 4.33Å; L144-L148 WeakPolarHBondContact O-CB 3.4Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 2.89Å; S145-L148 CarbonylContact O-C 3.6Å; S145-L148 PolarHBondContact O-N 2.86Å; K146-L148 PolarHBondContact O-N 3.13Å; L148-C150 PolarHBondContact O-N 2.89Å
149N98.6Very high98.6Very high129 Ų12950.9 Ų50.969%0.6926%0.262SS*.THydrogen-bonded Turntrans59.541.8176.1-161.335.8000113.6S145 K146 K147S145-N149 PolarHBondContact O-N 3.03Å; K146-N149 WeakPolarHBondContact O-CA 3.19Å; K146-N149 PolarHBondContact O-N 3.25Å; K147-N149 PolarHBondContact O-N 3.18Å
150C98.8Very high98.6Very high19 Ų1957.2 Ų57.213%0.12829%0.291CS..EExtended strand (participates in β ladder)trans-74.2135.7167.9-700000111.3I105 K115 R116 G117 S145 L148I105-C150 VanDerWaalsContact CD1-SG 3.56Å; K115-C150 CarbonylContact O-C 3.58Å; K115-C150 WeakPolarHBondContact O-CA 3.24Å; R116-C150 VanDerWaalsContact C-SG 3.54Å; G117-C150 PolarHBondContact N-SG 3.24Å; S145-C150 VanDerWaalsContact O-CB 3.29Å; S145-C150 WeakPolarHBondContact O-CB 3.42Å; S145-C150 PolarHBondContact O-N 3.45Å; S145-C150 PolarHBondContact O-SG 3.14Å; L148-C150 PolarHBondContact O-N 2.89Å
151Y98.5Very high98.5Very high85 Ų8560.6 Ų60.633%0.33331%0.309SS..EExtended strand (participates in β ladder)trans-73.9-28.617789.1-90.7000112.7H111 A114 K115 R116H111-Y151 AromaticContact CD2-CE1 3.98Å; H111-Y151 AromaticContact CD2-CE2 3.49Å; H111-Y151 VanDerWaalsContact CD2-CE2 3.49Å; H111-Y151 WeakPolarHBondContact CD2-CE2 3.49Å; H111-Y151 AromaticContact CD2-CZ 3.47Å; H111-Y151 VanDerWaalsContact CD2-CZ 3.47Å; H111-Y151 AromaticContact NE2-CE2 3.55Å; H111-Y151 AromaticContact NE2-CZ 3.78Å; A114-Y151 HydrophobicContact CB-CD1 3.68Å; A114-Y151 HydrophobicContact CB-CE1 4.46Å; A114-Y151 HydrophobicContact CB-CG 4.2Å; K115-Y151 VanDerWaalsContact O-CD1 3.24Å; K115-Y151 WeakPolarHBondContact O-CD1 3.46Å; K115-Y151 PolarHBondContact O-N 3.05Å; R116-Y151 HydrophobicContact CB-CD1 4.05Å; R116-Y151 HydrophobicContact CB-CE1 3.7Å; R116-Y151 HydrophobicContact CG-CE1 4.48Å
152K98.6Very high98.5Very high78 Ų7862.3 Ų62.334%0.33932%0.319SS..EExtended strand (participates in β ladder)trans-153.7163.2171.776179.8-175.2-178.70111.1R116 G117 T154R116-K152 CarbonylContact C-O 3.47Å; R116-K152 WeakPolarHBondContact CA-O 3.33Å; R116-K152 HydrophobicContact CB-CG 4.24Å; R116-K152 WeakPolarHBondContact CB-O 3.5Å; G117-K152 PolarHBondContact N-O 3.23Å; K152-T154 HydrophobicContact CD-CG2 4.41Å
153I98.9Very high98.5Very high33 Ų3363.5 Ų63.517%0.16934%0.336CS..EExtended strand (participates in β ladder)trans-129143.7170.8-174162.8000109.7L103 G117 V119 T142 S145 Y170L103-I153 HydrophobicContact CD1-CD1 3.93Å; G117-I153 WeakPolarHBondContact O-CA 3.34Å; V119-I153 HydrophobicContact CG2-CD1 3.57Å; V119-I153 HydrophobicContact CG2-CG1 4.06Å; T142-I153 HydrophobicContact CG2-CG2 4.41Å; S145-I153 WeakPolarHBondContact OG-CD1 3.36Å; I153-Y170 WeakPolarHBondContact CD1-OH 3.4Å; I153-Y170 HydrophobicContact CG1-CE1 4.3Å; I153-Y170 HydrophobicContact CG2-CE1 3.86Å
154T98.8Very high98.4Very high39 Ų3965.6 Ų65.624%0.23935%0.345CS..EExtended strand (participates in β ladder)trans-136.6159.1-178.159.60000111.3R116 G117 R118 V119 K152R116-T154 PolarHBondContact NH2-OG1 3.42Å; G117-T154 PolarHBondContact O-N 3.36Å; G117-T154 VanDerWaalsContact O-N 3.13Å; R118-T154 WeakPolarHBondContact CA-O 3.29Å; V119-T154 PolarHBondContact N-O 3Å; K152-T154 HydrophobicContact CD-CG2 4.41Å
155L98.8Very high98.4Very high34 Ų3467 Ų6718%0.17835%0.35CS..  trans-154.2165.2172.46183.8000109.9V119 L138 C157 Y165 Y170V119-L155 HydrophobicContact CB-CB 4.04Å; V119-L155 HydrophobicContact CB-CD2 4.19Å; V119-L155 WeakPolarHBondContact O-CB 3.31Å; L138-L155 HydrophobicContact CD1-CD2 4.1Å; L155-C157 HydrophobicContact CD1-CB 4.18Å; L155-Y165 HydrophobicContact CD1-CD1 3.89Å; L155-Y165 HydrophobicContact CD1-CD2 3.89Å; L155-Y165 HydrophobicContact CD1-CE1 4.06Å; L155-Y165 HydrophobicContact CD1-CE2 4.08Å; L155-Y165 HydrophobicContact CD1-CG 3.78Å; L155-Y165 HydrophobicContact CD2-CD1 3.34Å; L155-Y165 HydrophobicContact CD2-CE1 3.63Å; L155-Y165 HydrophobicContact CD2-CG 3.99Å; L155-Y165 HydrophobicContact CG-CD1 4.29Å; L155-Y170 HydrophobicContact CD2-CD1 3.93Å; L155-Y170 HydrophobicContact CD2-CD2 4.4Å; L155-Y170 HydrophobicContact CD2-CE1 3.59Å; L155-Y170 HydrophobicContact CD2-CE2 4.11Å; L155-Y170 HydrophobicContact CD2-CG 4.32Å; L155-Y170 HydrophobicContact CG-CD1 4.09Å; L155-Y170 HydrophobicContact CG-CE1 3.98Å
156E98.3Very high98.4Very high81 Ų8172.7 Ų72.738%0.37937%0.374SS..  trans-112.6137.8176-69.2153.3-15500109.4Y177E156-Y177 HydrophobicContact CG-CD2 3.96Å; E156-Y177 HydrophobicContact CG-CE2 4.04Å; E156-Y177 HydrophobicContact CG-CG 4.36Å; E156-Y177 WeakPolarHBondContact OE1-CD2 3.39Å; E156-Y177 WeakPolarHBondContact OE1-CE2 3.49Å; E156-Y177 WeakPolarHBondContact OE2-CE2 3.34Å; E156-Y177 PolarHBondContact OE2-OH 3.23Å
157C98Very high98.4Very high53 Ų5371.9 Ų71.936%0.35837%0.371SS..  trans-153.1156.7175.271.90000112.4L155 N161 Y165L155-C157 HydrophobicContact CD1-CB 4.18Å; C157-N161 HydrophobicContact CB-CB 4.24Å; C157-Y165 HydrophobicContact CB-CD2 3.78Å; C157-Y165 HydrophobicContact CB-CE2 3.34Å; C157-Y165 VanDerWaalsContact SG-CD2 3.57Å
158L97.5Very high98.4Very high106 Ų10668 Ų6856%0.55535%0.354SS*.  trans-69.3152.3172.3-63.2175.1000111.3Q160 N161L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 VanDerWaalsContact CB-OE1 3.23Å; L158-Q160 PolarHBondContact O-N 3.27Å; L158-Q160 VanDerWaalsContact O-N 3.1Å; L158-N161 PolarHBondContact O-N 3.23Å
159P98.2Very high98.3Very high107 Ų10769.5 Ų69.570%0.69538%0.377SS*.G310 helixtrans-51.3-39.3-174.6-30.136.3000114.9N161 V162P159-N161 PolarHBondContact O-N 3Å; P159-N161 VanDerWaalsContact O-N 3.17Å; P159-V162 WeakPolarHBondContact O-CG2 3.42Å; P159-V162 PolarHBondContact O-N 3.25Å
160Q98.1Very high98.3Very high137 Ų13764.6 Ų64.664%0.6435%0.349SS*.G310 helixtrans-63.9-19.9179.866.9-87.226.900114L158L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 VanDerWaalsContact CB-OE1 3.23Å; L158-Q160 PolarHBondContact O-N 3.27Å; L158-Q160 VanDerWaalsContact O-N 3.1Å
161N97.7Very high98.3Very high72 Ų7269.6 Ų69.639%0.38538%0.379SS..G310 helixtrans-97.4-6-177.9-65.9-27.9000113.2C157 L158 P159 G163 F164 Y165C157-N161 HydrophobicContact CB-CB 4.24Å; L158-N161 PolarHBondContact O-N 3.23Å; P159-N161 PolarHBondContact O-N 3Å; P159-N161 VanDerWaalsContact O-N 3.17Å; N161-G163 VanDerWaalsContact C-N 3.27Å; N161-G163 PolarHBondContact O-N 2.9Å; N161-F164 WeakPolarHBondContact O-CB 3.43Å; N161-F164 PolarHBondContact O-N 3.1Å; N161-Y165 HydrophobicContact CB-CD2 4.4Å; N161-Y165 HydrophobicContact CB-CE2 4.01Å; N161-Y165 VanDerWaalsContact O-CD2 3.28Å; N161-Y165 WeakPolarHBondContact O-CD2 3.28Å; N161-Y165 PolarHBondContact O-N 3.43Å
162V98.5Very high98.3Very high36 Ų3670.4 Ų70.422%0.21839%0.393CS..Hα-helixtrans-55.8-41.9-178.2170.70000111.9P159 F164 Y165 K166 V172P159-V162 WeakPolarHBondContact O-CG2 3.42Å; P159-V162 PolarHBondContact O-N 3.25Å; V162-F164 PolarHBondContact O-N 2.76Å; V162-Y165 PolarHBondContact O-N 3.43Å; V162-K166 HydrophobicContact CG1-CD 4.21Å; V162-K166 HydrophobicContact CG1-CG 4.34Å; V162-K166 PolarHBondContact O-N 3.18Å; V162-V172 HydrophobicContact CG1-CG2 3.63Å; V162-V172 HydrophobicContact CG2-CG2 4.3Å
163G98.3Very high98.3Very high49 Ų4970.1 Ų70.151%0.50540%0.4SS..Hα-helixtrans-63.2-26.9179.400000113.9N161N161-G163 VanDerWaalsContact C-N 3.27Å; N161-G163 PolarHBondContact O-N 2.9Å
164F98Very high98.2Very high62 Ų6277.9 Ų77.927%0.27244%0.436SS..Hα-helixtrans-69.2-50.4173.8171.2-97.8000110.8K135 L138 N161 V162 K166 K167 F168K135-F164 HydrophobicContact CG-CE2 3.92Å; L138-F164 HydrophobicContact CD2-CE1 4.14Å; L138-F164 HydrophobicContact CD2-CZ 4.49Å; L138-F164 HydrophobicContact CG-CE1 4.04Å; L138-F164 HydrophobicContact CG-CZ 4.5Å; N161-F164 WeakPolarHBondContact O-CB 3.43Å; N161-F164 PolarHBondContact O-N 3.1Å; V162-F164 PolarHBondContact O-N 2.76Å; F164-K166 PolarHBondContact O-N 3.07Å; F164-K167 VanDerWaalsContact O-CB 3.29Å; F164-K167 WeakPolarHBondContact O-CB 3.49Å; F164-K167 VanDerWaalsContact O-CG 3.31Å; F164-K167 WeakPolarHBondContact O-CG 3.08Å; F164-K167 PolarHBondContact O-N 2.94Å; F164-F168 HydrophobicContact CD1-CE2 4.24Å; F164-F168 AromaticContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE1-CZ 4.39Å; F164-F168 HydrophobicContact CE2-CE2 4.38Å; F164-F168 HydrophobicContact CE2-CZ 4.27Å; F164-F168 AromaticContact CZ-CE2 3.95Å; F164-F168 HydrophobicContact CZ-CE2 3.95Å; F164-F168 AromaticContact CZ-CZ 4Å; F164-F168 HydrophobicContact CZ-CZ 4Å; F164-F168 VanDerWaalsContact O-CE2 3.31Å; F164-F168 WeakPolarHBondContact O-CE2 2.91Å
165Y98.5Very high98.2Very high29 Ų2983.1 Ų83.111%0.11446%0.458CS..Hα-helixtrans-70.5-29.8-176.3-65-71.4000113.7L138 L155 C157 N161 V162 K167 F168 Y170L138-Y165 HydrophobicContact CD1-CD1 3.92Å; L138-Y165 HydrophobicContact CD1-CE1 3.86Å; L138-Y165 HydrophobicContact CD2-CE1 4.21Å; L138-Y165 HydrophobicContact CG-CD1 4.14Å; L138-Y165 HydrophobicContact CG-CE1 3.97Å; L155-Y165 HydrophobicContact CD1-CD1 3.89Å; L155-Y165 HydrophobicContact CD1-CD2 3.89Å; L155-Y165 HydrophobicContact CD1-CE1 4.06Å; L155-Y165 HydrophobicContact CD1-CE2 4.08Å; L155-Y165 HydrophobicContact CD1-CG 3.78Å; L155-Y165 HydrophobicContact CD2-CD1 3.34Å; L155-Y165 HydrophobicContact CD2-CE1 3.63Å; L155-Y165 HydrophobicContact CD2-CG 3.99Å; L155-Y165 HydrophobicContact CG-CD1 4.29Å; C157-Y165 HydrophobicContact CB-CD2 3.78Å; C157-Y165 HydrophobicContact CB-CE2 3.34Å; C157-Y165 VanDerWaalsContact SG-CD2 3.57Å; N161-Y165 HydrophobicContact CB-CD2 4.4Å; N161-Y165 HydrophobicContact CB-CE2 4.01Å; N161-Y165 VanDerWaalsContact O-CD2 3.28Å; N161-Y165 WeakPolarHBondContact O-CD2 3.28Å; N161-Y165 PolarHBondContact O-N 3.43Å; V162-Y165 PolarHBondContact O-N 3.43Å; Y165-K167 PolarHBondContact O-N 2.72Å; Y165-F168 WeakPolarHBondContact O-CD2 3.43Å; Y165-F168 PolarHBondContact O-N 2.87Å; Y165-Y170 WeakPolarHBondContact O-CD2 3.45Å
166K98.5Very high98.1Very high124 Ų12488.7 Ų88.754%0.53949%0.488SS..G310 helixtrans-55.1-24.1172.9-80.9-176.3170.5-175.70113.8V162 F164 F168 G169 Y170V162-K166 HydrophobicContact CG1-CD 4.21Å; V162-K166 HydrophobicContact CG1-CG 4.34Å; V162-K166 PolarHBondContact O-N 3.18Å; F164-K166 PolarHBondContact O-N 3.07Å; K166-F168 PolarHBondContact O-N 3.47Å; K166-G169 PolarHBondContact O-N 2.59Å; K166-Y170 WeakPolarHBondContact CG-O 3.04Å
167K98.1Very high98.1Very high113 Ų11391.9 Ų91.949%0.49150%0.497SS..G310 helixtrans-63.4-19.2177.9-61.6174.3-175.6-68.80113.7T23 A24 F164 Y165T23-K167 PolarHBondContact OG1-O 3.01Å; A24-K167 HydrophobicContact CB-CB 4.45Å; F164-K167 VanDerWaalsContact O-CB 3.29Å; F164-K167 WeakPolarHBondContact O-CB 3.49Å; F164-K167 VanDerWaalsContact O-CG 3.31Å; F164-K167 WeakPolarHBondContact O-CG 3.08Å; F164-K167 PolarHBondContact O-N 2.94Å; Y165-K167 PolarHBondContact O-N 2.72Å
168F98.4Very high98Very high12 Ų1297.4 Ų97.45%0.05352%0.52CS..G310 helixtrans-11116.5-178.3-38.3-80.6000112.5A24 K135 L138 F164 Y165 K166 Y170A24-F168 HydrophobicContact CB-CD1 3.81Å; A24-F168 HydrophobicContact CB-CE1 3.5Å; A24-F168 HydrophobicContact CB-CZ 4.44Å; K135-F168 HydrophobicContact CB-CE1 4.08Å; K135-F168 HydrophobicContact CB-CZ 4.01Å; K135-F168 HydrophobicContact CG-CE1 4.48Å; K135-F168 HydrophobicContact CG-CZ 4.04Å; K135-F168 WeakPolarHBondContact O-CE1 3.49Å; L138-F168 HydrophobicContact CB-CD1 4.11Å; L138-F168 HydrophobicContact CB-CD2 3.8Å; L138-F168 HydrophobicContact CB-CE1 3.9Å; L138-F168 HydrophobicContact CB-CE2 3.6Å; L138-F168 HydrophobicContact CB-CG 4.08Å; L138-F168 HydrophobicContact CB-CZ 3.66Å; L138-F168 HydrophobicContact CG-CD2 4.19Å; L138-F168 HydrophobicContact CG-CE2 3.96Å; L138-F168 HydrophobicContact CG-CZ 4.43Å; F164-F168 HydrophobicContact CD1-CE2 4.24Å; F164-F168 AromaticContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE1-CE2 3.88Å; F164-F168 HydrophobicContact CE1-CZ 4.39Å; F164-F168 HydrophobicContact CE2-CE2 4.38Å; F164-F168 HydrophobicContact CE2-CZ 4.27Å; F164-F168 AromaticContact CZ-CE2 3.95Å; F164-F168 HydrophobicContact CZ-CE2 3.95Å; F164-F168 AromaticContact CZ-CZ 4Å; F164-F168 HydrophobicContact CZ-CZ 4Å; F164-F168 VanDerWaalsContact O-CE2 3.31Å; F164-F168 WeakPolarHBondContact O-CE2 2.91Å; Y165-F168 WeakPolarHBondContact O-CD2 3.43Å; Y165-F168 PolarHBondContact O-N 2.87Å; K166-F168 PolarHBondContact O-N 3.47Å; F168-Y170 HydrophobicContact CB-CD2 3.93Å; F168-Y170 HydrophobicContact CB-CE2 3.9Å
169G98.2Very high98Very high61 Ų6197 Ų9763%0.62952%0.524SS*.THydrogen-bonded Turntrans88.54.7177.100000115.6K166K166-G169 PolarHBondContact O-N 2.59Å
170Y98.7Very high98Very high27 Ų27101.5 Ų101.511%0.10653%0.528CS..  trans-71.8142.9174.2-66.4-95.2000111.6V119 T142 I153 L155 Y165 K166 F168V119-Y170 WeakPolarHBondContact CG2-OH 3.02Å; T142-Y170 HydrophobicContact CG2-CE2 4.33Å; T142-Y170 PolarHBondContact OG1-OH 2.85Å; T142-Y170 VanDerWaalsContact OG1-OH 3.14Å; I153-Y170 WeakPolarHBondContact CD1-OH 3.4Å; I153-Y170 HydrophobicContact CG1-CE1 4.3Å; I153-Y170 HydrophobicContact CG2-CE1 3.86Å; L155-Y170 HydrophobicContact CD2-CD1 3.93Å; L155-Y170 HydrophobicContact CD2-CD2 4.4Å; L155-Y170 HydrophobicContact CD2-CE1 3.59Å; L155-Y170 HydrophobicContact CD2-CE2 4.11Å; L155-Y170 HydrophobicContact CD2-CG 4.32Å; L155-Y170 HydrophobicContact CG-CD1 4.09Å; L155-Y170 HydrophobicContact CG-CE1 3.98Å; Y165-Y170 WeakPolarHBondContact O-CD2 3.45Å; K166-Y170 WeakPolarHBondContact CG-O 3.04Å; F168-Y170 HydrophobicContact CB-CD2 3.93Å; F168-Y170 HydrophobicContact CB-CE2 3.9Å
171T98.5Very high97.9Very high124 Ų124104.8 Ų104.876%0.76153%0.534SS*.  trans-122.8153.817256.80000110.3S173T171-S173 PolarHBondContact O-N 3.17Å
172V98.6Very high97.8Very high102 Ų102109 Ų10962%0.61855%0.55SS*.  trans-69.8126.6173.2-179.10000108V162V162-V172 HydrophobicContact CG1-CG2 3.63Å; V162-V172 HydrophobicContact CG2-CG2 4.3Å
173S97.8Very high97.5Very high72 Ų72114.3 Ų114.350%0.50358%0.576SS.*  trans-75153.4175.3-170.40000110.7T171 E175T171-S173 PolarHBondContact O-N 3.17Å; S173-E175 PolarHBondContact OG-N 3.42Å
174E97.5Very high96.5Very high195 Ų195125.3 Ų125.391%0.91161%0.61SS**SBendtrans-73.3-18.7168.4-61.8-177.6172.700112
175E97.2Very high96.5Very high150 Ų150128.5 Ų128.570%0.70163%0.626SS**SBendtrans-68.8131.6176.7-64.6170.2-160.300111S173S173-E175 PolarHBondContact OG-N 3.42Å
176N97.6Very high96.4Very high151 Ų151133.7 Ų133.781%0.80765%0.653SS**PPolyproline II helixtrans-76.6136.3171.2-71.4-59.8000110.8
177Y97.4Very high96.2Very high148 Ų148134.2 Ų134.258%0.5866%0.66SS**PPolyproline II helixtrans-78.4129.7166.5177.3-110.2000110.3E156 C179E156-Y177 HydrophobicContact CG-CD2 3.96Å; E156-Y177 HydrophobicContact CG-CE2 4.04Å; E156-Y177 HydrophobicContact CG-CG 4.36Å; E156-Y177 WeakPolarHBondContact OE1-CD2 3.39Å; E156-Y177 WeakPolarHBondContact OE1-CE2 3.49Å; E156-Y177 WeakPolarHBondContact OE2-CE2 3.34Å; E156-Y177 PolarHBondContact OE2-OH 3.23Å; Y177-C179 HydrophobicContact CE1-CB 3.8Å
178M97.4Very high96.1Very high169 Ų169135.5 Ų135.583%0.83367%0.67SS**  trans-122.7136.7177.7-61.1-170.676.700109.9
179C97.7Very high96Very high96 Ų96143.2 Ų143.265%0.64971%0.708SS**  trans-134.9138.7-179.4177.60000110.8Y177Y177-C179 HydrophobicContact CE1-CB 3.8Å
180R97.4Very high95.8Very high203 Ų203148.7 Ų148.777%0.76671%0.713SS**  trans-126.6105.4169.8-179-176.4-179.6-175.70.4108.8
181R96.2Very high95.6Very high205 Ų205157.4 Ų157.477%0.77476%0.757SS**PPolyproline II helixtrans-80.5122.4173-171.1169.665.51160.2109.8
182F95.9Very high95.4Very high162 Ų162159.9 Ų159.971%0.71176%0.757SS**PPolyproline II helixtrans-74.3126173.7-60.1-70.8000109.9
183L91.7Very high95.2Very high147 Ų147164.8 Ų164.877%0.7777%0.768SS**PPolyproline II helixtrans-77.7132.2174.7-55.2177.9000108.2
184K78.1Confident94.9Very high279 Ų279173.2 Ų173.2100%1.21379%0.792SS**  trans-79.30172.3-73.9-176179.71770110.6

Retrieved 184 of 184 residues in 251.3 ms (Link to these results)

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