A0A087XVP3_POEFO Loading...

MORN repeat-containing protein 4

Plays a role in promoting axonal degeneration following neuronal injury by toxic insult or trauma.

AlphaFold DB (A0A3B3UYH5), UniProt , Accession A0A087XVP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 145 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
1M58Low88.2Confident181 Ų181109.1 Ų109.189%0.89260%0.597SS**  0121.10-73.5175.2159.500107.2K21 E22M1-K21 WeakPolarHBondContact SD-CE 3.22Å; M1-E22 VanDerWaalsContact CE-OE1 3.31Å; M1-E22 WeakPolarHBondContact CE-OE1 3.39Å
2T76.6Confident88.6Confident129 Ų129107 Ų10779%0.79159%0.585SS**  trans-89.8126.2-177.618.20000109.7
3L78.9Confident89.1Confident78 Ų78102.2 Ų102.241%0.40858%0.575SS.*  trans-75.4139.8165.6-63.8171.7000108.5W20 K21 H26L3-W20 WeakPolarHBondContact CA-O 3.44Å; L3-K21 HydrophobicContact CD2-CB 3.83Å; L3-K21 HydrophobicContact CD2-CD 4.46Å; L3-K21 HydrophobicContact CD2-CG 4.34Å; L3-H26 HydrophobicContact CD2-CB 4.42Å
4T91.3Very high89.6Confident89 Ų8997.3 Ų97.355%0.54655%0.545SS..EExtended strand (participates in β ladder)trans-109.9143.5169.654.30000109.2E19 W20T4-E19 CarbonylContact O-C 3.47Å; T4-E19 WeakPolarHBondContact O-CA 3.43Å; T4-W20 PolarHBondContact N-O 3.23Å; T4-W20 VanDerWaalsContact N-O 3.12Å; T4-W20 PolarHBondContact O-N 2.79Å
5R92.8Very high90.2Very high223 Ų22395.8 Ų95.884%0.84253%0.532SS*.EExtended strand (participates in β ladder)trans-106.7134.4176.8-169.6175178.7173.90.5109.5G18R5-G18 WeakPolarHBondContact CA-O 3.12Å
6G94.4Very high90.7Very high33 Ų3389.8 Ų89.834%0.3450%0.499SS..EExtended strand (participates in β ladder)trans-172.5174.9-179.400000113.2G18 W20G6-G18 PolarHBondContact N-O 3.24Å; G6-G18 PolarHBondContact O-N 2.86Å; G6-W20 PolarHBondContact O-NE1 2.86Å
7S95.3Very high91.1Very high83 Ų8389.2 Ų89.258%0.5849%0.491SS*.EExtended strand (participates in β ladder)trans-110.7146.4175.458.40000110.9Y16 H17S7-Y16 CarbonylContact C-O 3.45Å; S7-Y16 WeakPolarHBondContact CA-O 3.42Å; S7-H17 WeakPolarHBondContact CB-CD2 3.38Å
8F96.3Very high91.4Very high101 Ų10184.5 Ų84.544%0.44347%0.466SS..EExtended strand (participates in β ladder)trans-143.9127.2174-172.6-95.9000110.4Y10 E15 Y16 W20F8-Y10 AromaticContact CD1-CD1 3.83Å; F8-Y10 HydrophobicContact CD1-CD1 3.83Å; F8-Y10 AromaticContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CD2 3.82Å; F8-Y10 AromaticContact CD1-CE1 3.79Å; F8-Y10 HydrophobicContact CD1-CE1 3.79Å; F8-Y10 AromaticContact CD1-CE2 3.8Å; F8-Y10 HydrophobicContact CD1-CE2 3.8Å; F8-Y10 AromaticContact CD1-CG 3.84Å; F8-Y10 HydrophobicContact CD1-CG 3.84Å; F8-Y10 AromaticContact CD1-CZ 3.79Å; F8-Y10 AromaticContact CE1-CD1 3.51Å; F8-Y10 HydrophobicContact CE1-CD1 3.51Å; F8-Y10 HydrophobicContact CE1-CD2 4.26Å; F8-Y10 AromaticContact CE1-CE1 3.75Å; F8-Y10 HydrophobicContact CE1-CE1 3.75Å; F8-Y10 HydrophobicContact CE1-CE2 4.48Å; F8-Y10 AromaticContact CE1-CG 3.78Å; F8-Y10 HydrophobicContact CE1-CG 3.78Å; F8-E15 WeakPolarHBondContact O-CA 3.07Å; F8-Y16 PolarHBondContact N-O 2.78Å; F8-Y16 PolarHBondContact O-N 2.83Å; F8-W20 HydrophobicContact CB-CH2 3.87Å; F8-W20 HydrophobicContact CB-CZ2 3.55Å; F8-W20 HydrophobicContact CG-CH2 4.3Å; F8-W20 HydrophobicContact CG-CZ2 4.43Å
9T96.8Very high91.7Very high88 Ų8883.2 Ų83.254%0.5446%0.456SS..EExtended strand (participates in β ladder)trans-100.1118.6172.3-53.80000108.4E14 E15T9-E14 CarbonylContact C-O 3.57Å; T9-E14 WeakPolarHBondContact CA-O 3.09Å; T9-E15 HydrophobicContact CG2-CG 4.05Å
10Y94.1Very high91.9Very high57 Ų5781 Ų8122%0.22444%0.441CS..  trans-76.9155.4178.1-64.6-94.3000110.4F8 N12 G13 E14 L31F8-Y10 AromaticContact CD1-CD1 3.83Å; F8-Y10 HydrophobicContact CD1-CD1 3.83Å; F8-Y10 AromaticContact CD1-CD2 3.82Å; F8-Y10 HydrophobicContact CD1-CD2 3.82Å; F8-Y10 AromaticContact CD1-CE1 3.79Å; F8-Y10 HydrophobicContact CD1-CE1 3.79Å; F8-Y10 AromaticContact CD1-CE2 3.8Å; F8-Y10 HydrophobicContact CD1-CE2 3.8Å; F8-Y10 AromaticContact CD1-CG 3.84Å; F8-Y10 HydrophobicContact CD1-CG 3.84Å; F8-Y10 AromaticContact CD1-CZ 3.79Å; F8-Y10 AromaticContact CE1-CD1 3.51Å; F8-Y10 HydrophobicContact CE1-CD1 3.51Å; F8-Y10 HydrophobicContact CE1-CD2 4.26Å; F8-Y10 AromaticContact CE1-CE1 3.75Å; F8-Y10 HydrophobicContact CE1-CE1 3.75Å; F8-Y10 HydrophobicContact CE1-CE2 4.48Å; F8-Y10 AromaticContact CE1-CG 3.78Å; F8-Y10 HydrophobicContact CE1-CG 3.78Å; Y10-N12 WeakPolarHBondContact CB-OD1 3.3Å; Y10-N12 PolarHBondContact O-N 2.97Å; Y10-N12 VanDerWaalsContact O-N 3.15Å; Y10-G13 PolarHBondContact O-N 3.15Å; Y10-E14 HydrophobicContact CD2-CB 3.75Å; Y10-E14 WeakPolarHBondContact CD2-O 3.29Å; Y10-E14 HydrophobicContact CG-CB 4.23Å; Y10-E14 PolarHBondContact N-O 3.47Å; Y10-L31 HydrophobicContact CE2-CD1 4.39Å
11S95.7Very high92.2Very high138 Ų13879.8 Ų79.897%0.96543%0.432SS*.THydrogen-bonded Turntrans-63.1-20.6179.753.50000113.9G13S11-G13 VanDerWaalsContact C-N 3.29Å
12N93.3Very high93.9Very high84 Ų8478.3 Ų78.345%0.44942%0.422SS..THydrogen-bonded Turntrans-86.64.8175.368.2-11.3000113.4Y10 E14 S34Y10-N12 WeakPolarHBondContact CB-OD1 3.3Å; Y10-N12 PolarHBondContact O-N 2.97Å; Y10-N12 VanDerWaalsContact O-N 3.15Å; N12-E14 VanDerWaalsContact ND2-CD 3.26Å; N12-E14 PolarHBondContact ND2-OE1 2.8Å; N12-E14 VanDerWaalsContact OD1-CG 3.31Å; N12-E14 WeakPolarHBondContact OD1-CG 3.31Å; N12-E14 PolarHBondContact OD1-N 3.38Å; N12-S34 VanDerWaalsContact O-CB 3.3Å; N12-S34 WeakPolarHBondContact O-CB 3.42Å
13G94.3Very high94.6Very high44 Ų4475.2 Ų75.245%0.45442%0.416SS..SBendtrans87.61.1178.700000115Y10 S11Y10-G13 PolarHBondContact O-N 3.15Å; S11-G13 VanDerWaalsContact C-N 3.29Å
14E97.3Very high95.4Very high34 Ų3475.4 Ų75.416%0.15942%0.417CS..  trans-69.6149.9171.3-59.3175.9-165.400110.7T9 Y10 N12 L31 I32 F33T9-E14 CarbonylContact C-O 3.57Å; T9-E14 WeakPolarHBondContact CA-O 3.09Å; Y10-E14 HydrophobicContact CD2-CB 3.75Å; Y10-E14 WeakPolarHBondContact CD2-O 3.29Å; Y10-E14 HydrophobicContact CG-CB 4.23Å; Y10-E14 PolarHBondContact N-O 3.47Å; N12-E14 VanDerWaalsContact ND2-CD 3.26Å; N12-E14 PolarHBondContact ND2-OE1 2.8Å; N12-E14 VanDerWaalsContact OD1-CG 3.31Å; N12-E14 WeakPolarHBondContact OD1-CG 3.31Å; N12-E14 PolarHBondContact OD1-N 3.38Å; E14-L31 HydrophobicContact CB-CD1 4.47Å; E14-I32 CarbonylContact C-O 3.55Å; E14-I32 VanDerWaalsContact CA-O 3.22Å; E14-I32 WeakPolarHBondContact CA-O 3.33Å; E14-I32 WeakPolarHBondContact CB-O 3.34Å; E14-F33 HydrophobicContact CG-CD1 4.43Å
15E97.8Very high95.6Very high75 Ų7573.2 Ų73.235%0.3540%0.399SS..EExtended strand (participates in β ladder)trans-129.4127.6177.7-65.4-174.6179.400110.6F8 T9 H17 L31 I32F8-E15 WeakPolarHBondContact O-CA 3.07Å; T9-E15 HydrophobicContact CG2-CG 4.05Å; E15-H17 IonicContact OE2-CE1 3.65Å; E15-L31 CarbonylContact O-C 3.51Å; E15-L31 WeakPolarHBondContact O-CA 3.17Å; E15-I32 HydrophobicContact CB-CB 4.4Å; E15-I32 PolarHBondContact N-O 3.35Å; E15-I32 PolarHBondContact O-N 3.49Å
16Y97.8Very high95.9Very high0 Ų064.2 Ų64.20%037%0.366CS..EExtended strand (participates in β ladder)trans-112.7134.3172.2-179.9-99.1000111.1S7 F8 E19 W20 R25 Q30 L31 F43S7-Y16 CarbonylContact C-O 3.45Å; S7-Y16 WeakPolarHBondContact CA-O 3.42Å; F8-Y16 PolarHBondContact N-O 2.78Å; F8-Y16 PolarHBondContact O-N 2.83Å; Y16-E19 WeakPolarHBondContact CE1-O 3.04Å; Y16-E19 PolarHBondContact OH-N 2.82Å; Y16-E19 PolarHBondContact OH-O 2.96Å; Y16-W20 HydrophobicContact CD1-CD2 4.37Å; Y16-W20 AromaticContact CD1-CE2 3.44Å; Y16-W20 VanDerWaalsContact CD1-CE2 3.44Å; Y16-W20 AromaticContact CD1-CH2 3.94Å; Y16-W20 HydrophobicContact CD1-CH2 3.94Å; Y16-W20 AromaticContact CD1-CZ2 3.22Å; Y16-W20 HydrophobicContact CD1-CZ2 3.22Å; Y16-W20 AromaticContact CD1-NE1 3.65Å; Y16-W20 HydrophobicContact CE1-CD2 4.08Å; Y16-W20 AromaticContact CE1-CE2 3.52Å; Y16-W20 HydrophobicContact CE1-CG 4.45Å; Y16-W20 HydrophobicContact CE1-CH2 4.5Å; Y16-W20 AromaticContact CE1-CZ2 3.79Å; Y16-W20 HydrophobicContact CE1-CZ2 3.79Å; Y16-W20 AromaticContact CE1-NE1 3.51Å; Y16-W20 HydrophobicContact CG-CZ2 4.14Å; Y16-R25 HydrophobicContact CD1-CG 3.96Å; Y16-R25 HydrophobicContact CD2-CB 4.39Å; Y16-R25 HydrophobicContact CD2-CG 3.76Å; Y16-R25 HydrophobicContact CE1-CB 4.18Å; Y16-R25 HydrophobicContact CE1-CG 3.86Å; Y16-R25 HydrophobicContact CE2-CB 3.81Å; Y16-R25 HydrophobicContact CE2-CG 3.68Å; Y16-R25 HydrophobicContact CG-CG 3.86Å; Y16-Q30 CarbonylContact C-O 3.59Å; Y16-Q30 WeakPolarHBondContact CA-O 3.32Å; Y16-Q30 VanDerWaalsContact CD2-O 3.3Å; Y16-Q30 WeakPolarHBondContact CD2-O 3.43Å; Y16-L31 HydrophobicContact CD2-CB 4.19Å; Y16-L31 HydrophobicContact CD2-CD1 4.47Å; Y16-F43 HydrophobicContact CD2-CZ 4.19Å; Y16-F43 HydrophobicContact CE2-CD1 4.37Å; Y16-F43 AromaticContact CE2-CD2 3.99Å; Y16-F43 HydrophobicContact CE2-CD2 3.99Å; Y16-F43 HydrophobicContact CE2-CE1 4.05Å; Y16-F43 AromaticContact CE2-CE2 3.69Å; Y16-F43 HydrophobicContact CE2-CE2 3.69Å; Y16-F43 HydrophobicContact CE2-CG 4.32Å; Y16-F43 AromaticContact CE2-CZ 3.69Å; Y16-F43 HydrophobicContact CE2-CZ 3.69Å
17H97.6Very high96Very high80 Ų8063.4 Ų63.437%0.3736%0.358SS..EExtended strand (participates in β ladder)trans-129.4108.6174.6-64.793.4000108.8S7 E15 G29 Q30S7-H17 WeakPolarHBondContact CB-CD2 3.38Å; E15-H17 IonicContact OE2-CE1 3.65Å; H17-G29 CarbonylContact O-C 3.56Å; H17-G29 VanDerWaalsContact O-CA 3.25Å; H17-G29 WeakPolarHBondContact O-CA 3.49Å; H17-Q30 PolarHBondContact N-O 2.78Å; H17-Q30 PolarHBondContact O-N 2.83Å
18G96.9Very high96Very high4 Ų463.1 Ų63.14%0.04135%0.35CS..EExtended strand (participates in β ladder)trans170.8-162.7-176.600000115.1R5 G6 W20 L28R5-G18 WeakPolarHBondContact CA-O 3.12Å; G6-G18 PolarHBondContact N-O 3.24Å; G6-G18 PolarHBondContact O-N 2.86Å; G18-W20 VanDerWaalsContact O-CD1 3.24Å; G18-W20 PolarHBondContact O-NE1 2.81Å; G18-L28 WeakPolarHBondContact CA-O 3.21Å
19E97.3Very high96.1Very high59 Ų5958.7 Ų58.728%0.27633%0.333SS..EExtended strand (participates in β ladder)trans-80.6149.8177.5-69.3179.6137.100111.4T4 Y16 H26 G27 L28T4-E19 CarbonylContact O-C 3.47Å; T4-E19 WeakPolarHBondContact O-CA 3.43Å; Y16-E19 WeakPolarHBondContact CE1-O 3.04Å; Y16-E19 PolarHBondContact OH-N 2.82Å; Y16-E19 PolarHBondContact OH-O 2.96Å; E19-H26 CarbonylContact C-O 3.59Å; E19-H26 WeakPolarHBondContact CA-O 3.47Å; E19-H26 WeakPolarHBondContact CB-O 3.46Å; E19-H26 PolarHBondContact O-N 2.89Å; E19-H26 VanDerWaalsContact O-N 3.11Å; E19-G27 VanDerWaalsContact OE2-CA 3.31Å; E19-G27 WeakPolarHBondContact OE2-CA 3.48Å; E19-L28 PolarHBondContact N-O 2.8Å; E19-L28 PolarHBondContact OE2-N 2.84Å
20W96.5Very high96.2Very high39 Ų3957.9 Ų57.915%0.14832%0.323CS..EExtended strand (participates in β ladder)trans-133.8144.5-178-62.983.6000110.1L3 T4 G6 F8 Y16 G18 L24 R25L3-W20 WeakPolarHBondContact CA-O 3.44Å; T4-W20 PolarHBondContact N-O 3.23Å; T4-W20 VanDerWaalsContact N-O 3.12Å; T4-W20 PolarHBondContact O-N 2.79Å; G6-W20 PolarHBondContact O-NE1 2.86Å; F8-W20 HydrophobicContact CB-CH2 3.87Å; F8-W20 HydrophobicContact CB-CZ2 3.55Å; F8-W20 HydrophobicContact CG-CH2 4.3Å; F8-W20 HydrophobicContact CG-CZ2 4.43Å; Y16-W20 HydrophobicContact CD1-CD2 4.37Å; Y16-W20 AromaticContact CD1-CE2 3.44Å; Y16-W20 VanDerWaalsContact CD1-CE2 3.44Å; Y16-W20 AromaticContact CD1-CH2 3.94Å; Y16-W20 HydrophobicContact CD1-CH2 3.94Å; Y16-W20 AromaticContact CD1-CZ2 3.22Å; Y16-W20 HydrophobicContact CD1-CZ2 3.22Å; Y16-W20 AromaticContact CD1-NE1 3.65Å; Y16-W20 HydrophobicContact CE1-CD2 4.08Å; Y16-W20 AromaticContact CE1-CE2 3.52Å; Y16-W20 HydrophobicContact CE1-CG 4.45Å; Y16-W20 HydrophobicContact CE1-CH2 4.5Å; Y16-W20 AromaticContact CE1-CZ2 3.79Å; Y16-W20 HydrophobicContact CE1-CZ2 3.79Å; Y16-W20 AromaticContact CE1-NE1 3.51Å; Y16-W20 HydrophobicContact CG-CZ2 4.14Å; G18-W20 VanDerWaalsContact O-CD1 3.24Å; G18-W20 PolarHBondContact O-NE1 2.81Å; W20-L24 CarbonylContact C-O 3.59Å; W20-L24 WeakPolarHBondContact CA-O 3.49Å; W20-R25 HydrophobicContact CE3-CG 4.48Å; W20-R25 HydrophobicContact CH2-CG 4.21Å; W20-R25 HydrophobicContact CZ3-CG 4.05Å
21K96.4Very high96.3Very high56 Ų5655.2 Ų55.224%0.24331%0.313CS..EExtended strand (participates in β ladder)trans-138.4122.8172.4-171.2-179175.5-173.60108.6M1 L3 G23 L24 H26M1-K21 WeakPolarHBondContact SD-CE 3.22Å; L3-K21 HydrophobicContact CD2-CB 3.83Å; L3-K21 HydrophobicContact CD2-CD 4.46Å; L3-K21 HydrophobicContact CD2-CG 4.34Å; K21-G23 PolarHBondContact O-N 3.11Å; K21-L24 PolarHBondContact N-O 3.01Å; K21-L24 PolarHBondContact O-N 3.06Å; K21-H26 HydrophobicContact CB-CB 3.49Å; K21-H26 VanDerWaalsContact CB-CB 3.49Å
22E93.8Very high96.5Very high150 Ų15051.3 Ų51.370%0.70128%0.28SS*.THydrogen-bonded Turntrans54.338176.1-61.8173.8163.400113.2M1 L24M1-E22 VanDerWaalsContact CE-OE1 3.31Å; M1-E22 WeakPolarHBondContact CE-OE1 3.39Å; E22-L24 PolarHBondContact O-N 3.5Å
23G92.1Very high96.7Very high64 Ų6449.9 Ų49.966%0.6627%0.27SS*.THydrogen-bonded Turntrans77.42.4-179.400000114.9K21K21-G23 PolarHBondContact O-N 3.11Å
24L95.5Very high96.8Very high82 Ų8251.7 Ų51.743%0.42928%0.276SS..EExtended strand (participates in β ladder)trans-109149.2177-60.8175.1000111.1W20 K21 E22 H26 N45W20-L24 CarbonylContact C-O 3.59Å; W20-L24 WeakPolarHBondContact CA-O 3.49Å; K21-L24 PolarHBondContact N-O 3.01Å; K21-L24 PolarHBondContact O-N 3.06Å; E22-L24 PolarHBondContact O-N 3.5Å; L24-H26 PolarHBondContact O-N 3.2Å; L24-N45 HydrophobicContact CD1-CB 4.47Å
25R96.7Very high96.7Very high44 Ų4455 Ų5517%0.16630%0.295CS..EExtended strand (participates in β ladder)trans-58.7128.2169.9-55.8174.2-71.8-145.92.2108.8Y16 W20 F43 G46Y16-R25 HydrophobicContact CD1-CG 3.96Å; Y16-R25 HydrophobicContact CD2-CB 4.39Å; Y16-R25 HydrophobicContact CD2-CG 3.76Å; Y16-R25 HydrophobicContact CE1-CB 4.18Å; Y16-R25 HydrophobicContact CE1-CG 3.86Å; Y16-R25 HydrophobicContact CE2-CB 3.81Å; Y16-R25 HydrophobicContact CE2-CG 3.68Å; Y16-R25 HydrophobicContact CG-CG 3.86Å; W20-R25 HydrophobicContact CE3-CG 4.48Å; W20-R25 HydrophobicContact CH2-CG 4.21Å; W20-R25 HydrophobicContact CZ3-CG 4.05Å; R25-F43 HydrophobicContact CB-CB 4.22Å; R25-F43 HydrophobicContact CB-CD1 3.79Å; R25-F43 HydrophobicContact CB-CE1 4.37Å; R25-F43 HydrophobicContact CB-CG 4.11Å; R25-G46 PolarHBondContact NE-O 2.97Å; R25-G46 VanDerWaalsContact NE-O 3.14Å; R25-G46 PolarHBondContact NH2-O 2.82Å; R25-G46 WeakPolarHBondContact O-CA 3.09Å; R25-G46 PolarHBondContact O-N 2.8Å
26H97.6Very high96.7Very high33 Ų3353.5 Ų53.515%0.15330%0.299CS..EExtended strand (participates in β ladder)trans-155.6149.4-175.6-162.996.3000109.7L3 E19 K21 L24 F43L3-H26 HydrophobicContact CD2-CB 4.42Å; E19-H26 CarbonylContact C-O 3.59Å; E19-H26 WeakPolarHBondContact CA-O 3.47Å; E19-H26 WeakPolarHBondContact CB-O 3.46Å; E19-H26 PolarHBondContact O-N 2.89Å; E19-H26 VanDerWaalsContact O-N 3.11Å; K21-H26 HydrophobicContact CB-CB 3.49Å; K21-H26 VanDerWaalsContact CB-CB 3.49Å; L24-H26 PolarHBondContact O-N 3.2Å; H26-F43 CarbonylContact C-O 3.48Å; H26-F43 WeakPolarHBondContact CA-O 3.25Å
27G96.4Very high96.7Very high17 Ų1753.9 Ų53.918%0.17530%0.302CS..EExtended strand (participates in β ladder)trans73.7-147.3-178.400000111.7E19 Q42 F43E19-G27 VanDerWaalsContact OE2-CA 3.31Å; E19-G27 WeakPolarHBondContact OE2-CA 3.48Å; G27-Q42 CarbonylContact O-C 3.57Å; G27-Q42 WeakPolarHBondContact O-CA 3.28Å; G27-F43 PolarHBondContact N-O 2.84Å; G27-F43 PolarHBondContact O-N 2.79Å
28L97.1Very high96.7Very high76 Ų7651.5 Ų51.540%0.39829%0.294SS..EExtended strand (participates in β ladder)trans-84.2135.9-178.8-65.8173.5000111.9G18 E19 G41 Q42 L143G18-L28 WeakPolarHBondContact CA-O 3.21Å; E19-L28 PolarHBondContact N-O 2.8Å; E19-L28 PolarHBondContact OE2-N 2.84Å; L28-G41 WeakPolarHBondContact CA-O 2.89Å; L28-Q42 HydrophobicContact CD2-CG 3.6Å; L28-L143 HydrophobicContact CD1-CD2 4.45Å; L28-L143 HydrophobicContact CD2-CB 4.41Å; L28-L143 HydrophobicContact CD2-CD1 4.32Å; L28-L143 HydrophobicContact CD2-CD2 4Å; L28-L143 HydrophobicContact CD2-CG 4.48Å
29G97.3Very high96.7Very high9 Ų951.3 Ų51.39%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-165175.2175.300000114H17 T40 G41H17-G29 CarbonylContact O-C 3.56Å; H17-G29 VanDerWaalsContact O-CA 3.25Å; H17-G29 WeakPolarHBondContact O-CA 3.49Å; G29-T40 WeakPolarHBondContact O-CA 3.2Å; G29-G41 PolarHBondContact N-O 3.39Å; G29-G41 PolarHBondContact O-N 3.18Å
30Q98.1Very high96.8Very high71 Ų7149.6 Ų49.633%0.33229%0.286SS..EExtended strand (participates in β ladder)trans-123.8131.5170.9178.5175.578.700109Y16 H17 I32 F39 T40Y16-Q30 CarbonylContact C-O 3.59Å; Y16-Q30 WeakPolarHBondContact CA-O 3.32Å; Y16-Q30 VanDerWaalsContact CD2-O 3.3Å; Y16-Q30 WeakPolarHBondContact CD2-O 3.43Å; H17-Q30 PolarHBondContact N-O 2.78Å; H17-Q30 PolarHBondContact O-N 2.83Å; Q30-I32 HydrophobicContact CG-CG1 4.31Å; Q30-F39 CarbonylContact C-O 3.54Å; Q30-F39 WeakPolarHBondContact CA-O 3.35Å; Q30-T40 PolarHBondContact NE2-OG1 3.15Å; Q30-T40 VanDerWaalsContact NE2-OG1 3.11Å
31L98.1Very high96.8Very high1 Ų147.8 Ų47.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-120119.8173.517864000108.8Y10 E14 E15 Y16 F33 C38 F39 F43 F48Y10-L31 HydrophobicContact CE2-CD1 4.39Å; E14-L31 HydrophobicContact CB-CD1 4.47Å; E15-L31 CarbonylContact O-C 3.51Å; E15-L31 WeakPolarHBondContact O-CA 3.17Å; Y16-L31 HydrophobicContact CD2-CB 4.19Å; Y16-L31 HydrophobicContact CD2-CD1 4.47Å; L31-F33 HydrophobicContact CD2-CD1 4.46Å; L31-F33 HydrophobicContact CD2-CE1 3.74Å; L31-F33 HydrophobicContact CD2-CE2 3.91Å; L31-F33 HydrophobicContact CD2-CZ 3.44Å; L31-F33 VanDerWaalsContact CD2-CZ 3.44Å; L31-F33 HydrophobicContact CG-CD2 4.47Å; L31-F33 HydrophobicContact CG-CE1 4.38Å; L31-F33 HydrophobicContact CG-CE2 4.19Å; L31-F33 HydrophobicContact CG-CZ 4.16Å; L31-C38 WeakPolarHBondContact O-CA 3.36Å; L31-F39 PolarHBondContact N-O 3.38Å; L31-F39 PolarHBondContact O-N 2.8Å; L31-F43 HydrophobicContact CB-CE1 4.34Å; L31-F43 HydrophobicContact CB-CZ 3.83Å; L31-F43 HydrophobicContact CD2-CE1 4.42Å; L31-F48 HydrophobicContact CD2-CE1 3.93Å; L31-F48 HydrophobicContact CD2-CZ 4.09Å
32I98.1Very high96.9Very high56 Ų5648.2 Ų48.229%0.28728%0.282SS..EExtended strand (participates in β ladder)trans-101.7119.1173-55.6170.2000106.7E14 E15 Q30E14-I32 CarbonylContact C-O 3.55Å; E14-I32 VanDerWaalsContact CA-O 3.22Å; E14-I32 WeakPolarHBondContact CA-O 3.33Å; E14-I32 WeakPolarHBondContact CB-O 3.34Å; E15-I32 HydrophobicContact CB-CB 4.4Å; E15-I32 PolarHBondContact N-O 3.35Å; E15-I32 PolarHBondContact O-N 3.49Å; Q30-I32 HydrophobicContact CG-CG1 4.31Å
33F97.5Very high97.1Very high53 Ų5341.3 Ų41.323%0.23225%0.25CC..  trans-81.7157.3176.2-67.4-84.9000110.9E14 L31 D35 G36 T37 F48E14-F33 HydrophobicContact CG-CD1 4.43Å; L31-F33 HydrophobicContact CD2-CD1 4.46Å; L31-F33 HydrophobicContact CD2-CE1 3.74Å; L31-F33 HydrophobicContact CD2-CE2 3.91Å; L31-F33 HydrophobicContact CD2-CZ 3.44Å; L31-F33 VanDerWaalsContact CD2-CZ 3.44Å; L31-F33 HydrophobicContact CG-CD2 4.47Å; L31-F33 HydrophobicContact CG-CE1 4.38Å; L31-F33 HydrophobicContact CG-CE2 4.19Å; L31-F33 HydrophobicContact CG-CZ 4.16Å; F33-D35 WeakPolarHBondContact CB-OD1 3.46Å; F33-D35 PolarHBondContact O-N 2.96Å; F33-G36 PolarHBondContact O-N 2.77Å; F33-T37 WeakPolarHBondContact CB-O 3.3Å; F33-T37 HydrophobicContact CD2-CG2 3.79Å; F33-T37 WeakPolarHBondContact CD2-O 3.25Å; F33-T37 HydrophobicContact CE2-CG2 4.21Å; F33-T37 PolarHBondContact N-O 3.05Å; F33-F48 HydrophobicContact CE2-CE2 4.37Å; F33-F48 AromaticContact CE2-CZ 3.7Å; F33-F48 HydrophobicContact CE2-CZ 3.7Å; F33-F48 HydrophobicContact CZ-CE2 4.22Å; F33-F48 AromaticContact CZ-CZ 3.56Å; F33-F48 HydrophobicContact CZ-CZ 3.56Å
34S96.9Very high97.4Very high83 Ų8342.5 Ų42.558%0.5824%0.238SC*.THydrogen-bonded Turntrans-65.5-21179.656.90000114N12 G36N12-S34 VanDerWaalsContact O-CB 3.3Å; N12-S34 WeakPolarHBondContact O-CB 3.42Å; S34-G36 VanDerWaalsContact C-N 3.26Å
35D96.3Very high97.4Very high102 Ų10243.3 Ų43.355%0.54524%0.243SC..THydrogen-bonded Turntrans-80.5-5.2172.970.3-7.1000113.3F33 T37 P57F33-D35 WeakPolarHBondContact CB-OD1 3.46Å; F33-D35 PolarHBondContact O-N 2.96Å; D35-T37 VanDerWaalsContact CG-OG1 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.2Å; D35-T37 PolarHBondContact OD1-N 3.04Å; D35-T37 PolarHBondContact OD1-OG1 3.01Å; D35-T37 PolarHBondContact OD2-OG1 3.14Å; D35-T37 VanDerWaalsContact OD2-OG1 3.05Å; D35-P57 WeakPolarHBondContact O-CG 3.41Å
36G96Very high97.3Very high44 Ų4441.6 Ų41.645%0.45424%0.239SC..SBendtrans92.1-2.8-176.300000114.4F33 S34 C38F33-G36 PolarHBondContact O-N 2.77Å; S34-G36 VanDerWaalsContact C-N 3.26Å; G36-C38 PolarHBondContact O-N 2.79Å
37T97.8Very high97.3Very high9 Ų944 Ų446%0.05525%0.252CS..  trans-60136.9170.9-58.10000108.7F33 D35 L54 V55 F56 P57F33-T37 WeakPolarHBondContact CB-O 3.3Å; F33-T37 HydrophobicContact CD2-CG2 3.79Å; F33-T37 WeakPolarHBondContact CD2-O 3.25Å; F33-T37 HydrophobicContact CE2-CG2 4.21Å; F33-T37 PolarHBondContact N-O 3.05Å; D35-T37 VanDerWaalsContact CG-OG1 3.26Å; D35-T37 WeakPolarHBondContact OD1-CB 3.2Å; D35-T37 PolarHBondContact OD1-N 3.04Å; D35-T37 PolarHBondContact OD1-OG1 3.01Å; D35-T37 PolarHBondContact OD2-OG1 3.14Å; D35-T37 VanDerWaalsContact OD2-OG1 3.05Å; T37-L54 HydrophobicContact CG2-CD1 3.58Å; T37-L54 HydrophobicContact CG2-CG 4.2Å; T37-V55 CarbonylContact C-O 3.53Å; T37-V55 WeakPolarHBondContact CA-O 3.45Å; T37-V55 WeakPolarHBondContact CG2-O 3.36Å; T37-F56 HydrophobicContact CG2-CD1 4.19Å; T37-F56 HydrophobicContact CG2-CE1 4.5Å; T37-P57 WeakPolarHBondContact OG1-CD 3.45Å
38C98Very high97.4Very high29 Ų2944.2 Ų44.220%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-127.5125.2179.7-176.80000110L31 G36 L54 V55L31-C38 WeakPolarHBondContact O-CA 3.36Å; G36-C38 PolarHBondContact O-N 2.79Å; C38-L54 CarbonylContact O-C 3.47Å; C38-L54 WeakPolarHBondContact O-CA 3.38Å; C38-V55 PolarHBondContact N-O 2.79Å; C38-V55 PolarHBondContact O-N 2.86Å
39F98.2Very high97.4Very high0 Ų042.5 Ų42.50%024%0.24CC..EExtended strand (participates in β ladder)trans-109130.6170.4178.3-93.1000110Q30 L31 F43 F48 V53 L54 F66Q30-F39 CarbonylContact C-O 3.54Å; Q30-F39 WeakPolarHBondContact CA-O 3.35Å; L31-F39 PolarHBondContact N-O 3.38Å; L31-F39 PolarHBondContact O-N 2.8Å; F39-F43 HydrophobicContact CD1-CE1 4.23Å; F39-F43 AromaticContact CD1-CE2 3.56Å; F39-F43 HydrophobicContact CD1-CE2 3.56Å; F39-F43 AromaticContact CD1-CZ 3.37Å; F39-F43 HydrophobicContact CD1-CZ 3.37Å; F39-F43 HydrophobicContact CE1-CD2 4.1Å; F39-F43 HydrophobicContact CE1-CE1 4.37Å; F39-F43 AromaticContact CE1-CE2 3.5Å; F39-F43 HydrophobicContact CE1-CE2 3.5Å; F39-F43 AromaticContact CE1-CZ 3.68Å; F39-F43 HydrophobicContact CE1-CZ 3.68Å; F39-F48 HydrophobicContact CB-CD1 4.37Å; F39-F48 HydrophobicContact CB-CE1 3.64Å; F39-F48 HydrophobicContact CB-CE2 4.18Å; F39-F48 HydrophobicContact CB-CZ 3.51Å; F39-F48 AromaticContact CD1-CD1 3.33Å; F39-F48 HydrophobicContact CD1-CD1 3.33Å; F39-F48 AromaticContact CD1-CE1 3.33Å; F39-F48 HydrophobicContact CD1-CE1 3.33Å; F39-F48 HydrophobicContact CD1-CG 4.08Å; F39-F48 HydrophobicContact CD1-CZ 4.06Å; F39-F48 HydrophobicContact CD2-CB 4.5Å; F39-F48 AromaticContact CD2-CD1 3.92Å; F39-F48 HydrophobicContact CD2-CD1 3.92Å; F39-F48 AromaticContact CD2-CD2 3.9Å; F39-F48 HydrophobicContact CD2-CD2 3.9Å; F39-F48 HydrophobicContact CD2-CE1 4.01Å; F39-F48 AromaticContact CD2-CE2 3.98Å; F39-F48 HydrophobicContact CD2-CE2 3.98Å; F39-F48 AromaticContact CD2-CG 3.86Å; F39-F48 HydrophobicContact CD2-CG 3.86Å; F39-F48 HydrophobicContact CD2-CZ 4.02Å; F39-F48 HydrophobicContact CE1-CB 4.17Å; F39-F48 AromaticContact CE1-CD1 3.37Å; F39-F48 HydrophobicContact CE1-CD1 3.37Å; F39-F48 AromaticContact CE1-CE1 3.91Å; F39-F48 HydrophobicContact CE1-CE1 3.91Å; F39-F48 AromaticContact CE1-CG 3.92Å; F39-F48 HydrophobicContact CE1-CG 3.92Å; F39-F48 HydrophobicContact CE2-CB 3.85Å; F39-F48 AromaticContact CE2-CD1 3.96Å; F39-F48 HydrophobicContact CE2-CD1 3.96Å; F39-F48 HydrophobicContact CE2-CD2 4.04Å; F39-F48 AromaticContact CE2-CG 3.7Å; F39-F48 HydrophobicContact CE2-CG 3.7Å; F39-F48 AromaticContact CG-CD1 3.6Å; F39-F48 HydrophobicContact CG-CD1 3.6Å; F39-F48 HydrophobicContact CG-CD2 4.25Å; F39-F48 AromaticContact CG-CE1 3.37Å; F39-F48 HydrophobicContact CG-CE1 3.37Å; F39-F48 HydrophobicContact CG-CE2 4.04Å; F39-F48 HydrophobicContact CG-CG 4.03Å; F39-F48 AromaticContact CG-CZ 3.59Å; F39-F48 HydrophobicContact CG-CZ 3.59Å; F39-F48 HydrophobicContact CZ-CB 3.65Å; F39-F48 AromaticContact CZ-CD1 3.7Å; F39-F48 HydrophobicContact CZ-CD1 3.7Å; F39-F48 HydrophobicContact CZ-CE1 4.46Å; F39-F48 AromaticContact CZ-CG 3.72Å; F39-F48 HydrophobicContact CZ-CG 3.72Å; F39-V53 CarbonylContact C-O 3.29Å; F39-V53 WeakPolarHBondContact CA-O 3.44Å; F39-L54 HydrophobicContact CB-CD1 3.76Å; F39-L54 HydrophobicContact CD2-CB 4.19Å; F39-L54 HydrophobicContact CD2-CD1 4.09Å; F39-L54 HydrophobicContact CG-CD1 4.43Å; F39-F66 HydrophobicContact CD2-CE1 4.38Å; F39-F66 HydrophobicContact CD2-CE2 4.49Å; F39-F66 HydrophobicContact CD2-CZ 4.11Å; F39-F66 HydrophobicContact CE2-CD1 4.26Å; F39-F66 AromaticContact CE2-CD2 3.93Å; F39-F66 HydrophobicContact CE2-CD2 3.93Å; F39-F66 AromaticContact CE2-CE1 3.98Å; F39-F66 HydrophobicContact CE2-CE1 3.98Å; F39-F66 AromaticContact CE2-CE2 3.66Å; F39-F66 HydrophobicContact CE2-CE2 3.66Å; F39-F66 HydrophobicContact CE2-CG 4.22Å; F39-F66 AromaticContact CE2-CZ 3.67Å; F39-F66 HydrophobicContact CE2-CZ 3.67Å; F39-F66 HydrophobicContact CZ-CD2 4.48Å
40T98.4Very high97.4Very high24 Ų2443.1 Ų43.115%0.14725%0.246CC..EExtended strand (participates in β ladder)trans-126.2122.8168.4-59.90000109.4G29 Q30 G52 V53 A144G29-T40 WeakPolarHBondContact O-CA 3.2Å; Q30-T40 PolarHBondContact NE2-OG1 3.15Å; Q30-T40 VanDerWaalsContact NE2-OG1 3.11Å; T40-G52 CarbonylContact O-C 3.46Å; T40-G52 VanDerWaalsContact O-CA 3.26Å; T40-G52 WeakPolarHBondContact O-CA 3.2Å; T40-V53 PolarHBondContact N-O 2.82Å; T40-V53 PolarHBondContact O-N 2.84Å; T40-A144 HydrophobicContact CG2-CB 3.69Å
41G97.8Very high97.4Very high1 Ų140 Ų401%0.0123%0.232CC..EExtended strand (participates in β ladder)trans162.6-153.5-178.500000113.4L28 G29 F43 C51L28-G41 WeakPolarHBondContact CA-O 2.89Å; G29-G41 PolarHBondContact N-O 3.39Å; G29-G41 PolarHBondContact O-N 3.18Å; G41-F43 WeakPolarHBondContact O-CD2 3.49Å; G41-C51 WeakPolarHBondContact CA-O 3.38Å
42Q97.9Very high97.4Very high64 Ų6440 Ų4030%0.29923%0.232SC..EExtended strand (participates in β ladder)trans-87.8141.4-177.1-70.7167.878.700112.5G27 L28 N49 C51 L143G27-Q42 CarbonylContact O-C 3.57Å; G27-Q42 WeakPolarHBondContact O-CA 3.28Å; L28-Q42 HydrophobicContact CD2-CG 3.6Å; Q42-N49 CarbonylContact C-O 3.52Å; Q42-N49 VanDerWaalsContact C-O 3.29Å; Q42-N49 WeakPolarHBondContact CB-O 3.39Å; Q42-N49 PolarHBondContact O-N 3.06Å; Q42-N49 VanDerWaalsContact O-O 3.11Å; Q42-C51 PolarHBondContact N-O 2.82Å; Q42-L143 HydrophobicContact CG-CD1 4.24Å; Q42-L143 VanDerWaalsContact NE2-CD1 3.3Å
43F97.8Very high97.4Very high5 Ų538.1 Ų38.12%0.02222%0.223CC..EExtended strand (participates in β ladder)trans-121.8142.4177.5-70.5-99.5000110.5Y16 R25 H26 G27 L31 F39 G41 L47 F48Y16-F43 HydrophobicContact CD2-CZ 4.19Å; Y16-F43 HydrophobicContact CE2-CD1 4.37Å; Y16-F43 AromaticContact CE2-CD2 3.99Å; Y16-F43 HydrophobicContact CE2-CD2 3.99Å; Y16-F43 HydrophobicContact CE2-CE1 4.05Å; Y16-F43 AromaticContact CE2-CE2 3.69Å; Y16-F43 HydrophobicContact CE2-CE2 3.69Å; Y16-F43 HydrophobicContact CE2-CG 4.32Å; Y16-F43 AromaticContact CE2-CZ 3.69Å; Y16-F43 HydrophobicContact CE2-CZ 3.69Å; R25-F43 HydrophobicContact CB-CB 4.22Å; R25-F43 HydrophobicContact CB-CD1 3.79Å; R25-F43 HydrophobicContact CB-CE1 4.37Å; R25-F43 HydrophobicContact CB-CG 4.11Å; H26-F43 CarbonylContact C-O 3.48Å; H26-F43 WeakPolarHBondContact CA-O 3.25Å; G27-F43 PolarHBondContact N-O 2.84Å; G27-F43 PolarHBondContact O-N 2.79Å; L31-F43 HydrophobicContact CB-CE1 4.34Å; L31-F43 HydrophobicContact CB-CZ 3.83Å; L31-F43 HydrophobicContact CD2-CE1 4.42Å; F39-F43 HydrophobicContact CD1-CE1 4.23Å; F39-F43 AromaticContact CD1-CE2 3.56Å; F39-F43 HydrophobicContact CD1-CE2 3.56Å; F39-F43 AromaticContact CD1-CZ 3.37Å; F39-F43 HydrophobicContact CD1-CZ 3.37Å; F39-F43 HydrophobicContact CE1-CD2 4.1Å; F39-F43 HydrophobicContact CE1-CE1 4.37Å; F39-F43 AromaticContact CE1-CE2 3.5Å; F39-F43 HydrophobicContact CE1-CE2 3.5Å; F39-F43 AromaticContact CE1-CZ 3.68Å; F39-F43 HydrophobicContact CE1-CZ 3.68Å; G41-F43 WeakPolarHBondContact O-CD2 3.49Å; F43-L47 CarbonylContact C-O 3.05Å; F43-L47 VanDerWaalsContact CA-O 3.23Å; F43-L47 WeakPolarHBondContact CA-O 3.37Å; F43-F48 AromaticContact CD1-CD1 3.98Å; F43-F48 HydrophobicContact CD1-CD1 3.98Å; F43-F48 HydrophobicContact CD1-CE1 4.37Å; F43-F48 AromaticContact CE1-CD1 3.43Å; F43-F48 HydrophobicContact CE1-CD1 3.43Å; F43-F48 VanDerWaalsContact CE1-CD1 3.43Å; F43-F48 AromaticContact CE1-CE1 3.42Å; F43-F48 HydrophobicContact CE1-CE1 3.42Å; F43-F48 VanDerWaalsContact CE1-CE1 3.42Å; F43-F48 AromaticContact CZ-CD1 3.81Å; F43-F48 HydrophobicContact CZ-CD1 3.81Å; F43-F48 AromaticContact CZ-CE1 3.67Å; F43-F48 HydrophobicContact CZ-CE1 3.67Å
44E97.7Very high97.4Very high89 Ų8936.2 Ų36.242%0.41622%0.215SC..EExtended strand (participates in β ladder)trans-137.1126.6168-173.5173.9-147.100109.1G46 L47 N49E44-G46 PolarHBondContact O-N 3.37Å; E44-L47 PolarHBondContact N-O 2.66Å; E44-L47 PolarHBondContact O-N 2.74Å; E44-N49 HydrophobicContact CB-CB 3.58Å; E44-N49 PolarHBondContact OE2-ND2 2.87Å
45N95.7Very high97.5Very high99 Ų9935 Ų3553%0.52920%0.204SC..THydrogen-bonded Turntrans49.841.7179.1-56.7-30.3000113.3L24 L47L24-N45 HydrophobicContact CD1-CB 4.47Å; N45-L47 VanDerWaalsContact C-N 3.33Å; N45-L47 PolarHBondContact O-N 3.37Å
46G95.6Very high97.6Very high8 Ų833.1 Ų33.18%0.08219%0.191CC..THydrogen-bonded Turntrans86.9-8.6178.700000115.4R25 E44R25-G46 PolarHBondContact NE-O 2.97Å; R25-G46 VanDerWaalsContact NE-O 3.14Å; R25-G46 PolarHBondContact NH2-O 2.82Å; R25-G46 WeakPolarHBondContact O-CA 3.09Å; R25-G46 PolarHBondContact O-N 2.8Å; E44-G46 PolarHBondContact O-N 3.37Å
47L97.3Very high97.7Very high84 Ų8435.1 Ų35.144%0.4420%0.196SC..EExtended strand (participates in β ladder)trans-112.1155.4-174.8-60.2175.7000111.8F43 E44 N45 N49 Q68F43-L47 CarbonylContact C-O 3.05Å; F43-L47 VanDerWaalsContact CA-O 3.23Å; F43-L47 WeakPolarHBondContact CA-O 3.37Å; E44-L47 PolarHBondContact N-O 2.66Å; E44-L47 PolarHBondContact O-N 2.74Å; N45-L47 VanDerWaalsContact C-N 3.33Å; N45-L47 PolarHBondContact O-N 3.37Å; L47-N49 PolarHBondContact O-N 2.93Å; L47-Q68 HydrophobicContact CD1-CB 4.19Å
48F97.4Very high97.6Very high21 Ų2138.7 Ų38.79%0.09222%0.215CC..EExtended strand (participates in β ladder)trans-63.3126.4170.5-45.5-36.1000109.8L31 F33 F39 F43 L54 F66 Q68 G69L31-F48 HydrophobicContact CD2-CE1 3.93Å; L31-F48 HydrophobicContact CD2-CZ 4.09Å; F33-F48 HydrophobicContact CE2-CE2 4.37Å; F33-F48 AromaticContact CE2-CZ 3.7Å; F33-F48 HydrophobicContact CE2-CZ 3.7Å; F33-F48 HydrophobicContact CZ-CE2 4.22Å; F33-F48 AromaticContact CZ-CZ 3.56Å; F33-F48 HydrophobicContact CZ-CZ 3.56Å; F39-F48 HydrophobicContact CB-CD1 4.37Å; F39-F48 HydrophobicContact CB-CE1 3.64Å; F39-F48 HydrophobicContact CB-CE2 4.18Å; F39-F48 HydrophobicContact CB-CZ 3.51Å; F39-F48 AromaticContact CD1-CD1 3.33Å; F39-F48 HydrophobicContact CD1-CD1 3.33Å; F39-F48 AromaticContact CD1-CE1 3.33Å; F39-F48 HydrophobicContact CD1-CE1 3.33Å; F39-F48 HydrophobicContact CD1-CG 4.08Å; F39-F48 HydrophobicContact CD1-CZ 4.06Å; F39-F48 HydrophobicContact CD2-CB 4.5Å; F39-F48 AromaticContact CD2-CD1 3.92Å; F39-F48 HydrophobicContact CD2-CD1 3.92Å; F39-F48 AromaticContact CD2-CD2 3.9Å; F39-F48 HydrophobicContact CD2-CD2 3.9Å; F39-F48 HydrophobicContact CD2-CE1 4.01Å; F39-F48 AromaticContact CD2-CE2 3.98Å; F39-F48 HydrophobicContact CD2-CE2 3.98Å; F39-F48 AromaticContact CD2-CG 3.86Å; F39-F48 HydrophobicContact CD2-CG 3.86Å; F39-F48 HydrophobicContact CD2-CZ 4.02Å; F39-F48 HydrophobicContact CE1-CB 4.17Å; F39-F48 AromaticContact CE1-CD1 3.37Å; F39-F48 HydrophobicContact CE1-CD1 3.37Å; F39-F48 AromaticContact CE1-CE1 3.91Å; F39-F48 HydrophobicContact CE1-CE1 3.91Å; F39-F48 AromaticContact CE1-CG 3.92Å; F39-F48 HydrophobicContact CE1-CG 3.92Å; F39-F48 HydrophobicContact CE2-CB 3.85Å; F39-F48 AromaticContact CE2-CD1 3.96Å; F39-F48 HydrophobicContact CE2-CD1 3.96Å; F39-F48 HydrophobicContact CE2-CD2 4.04Å; F39-F48 AromaticContact CE2-CG 3.7Å; F39-F48 HydrophobicContact CE2-CG 3.7Å; F39-F48 AromaticContact CG-CD1 3.6Å; F39-F48 HydrophobicContact CG-CD1 3.6Å; F39-F48 HydrophobicContact CG-CD2 4.25Å; F39-F48 AromaticContact CG-CE1 3.37Å; F39-F48 HydrophobicContact CG-CE1 3.37Å; F39-F48 HydrophobicContact CG-CE2 4.04Å; F39-F48 HydrophobicContact CG-CG 4.03Å; F39-F48 AromaticContact CG-CZ 3.59Å; F39-F48 HydrophobicContact CG-CZ 3.59Å; F39-F48 HydrophobicContact CZ-CB 3.65Å; F39-F48 AromaticContact CZ-CD1 3.7Å; F39-F48 HydrophobicContact CZ-CD1 3.7Å; F39-F48 HydrophobicContact CZ-CE1 4.46Å; F39-F48 AromaticContact CZ-CG 3.72Å; F39-F48 HydrophobicContact CZ-CG 3.72Å; F43-F48 AromaticContact CD1-CD1 3.98Å; F43-F48 HydrophobicContact CD1-CD1 3.98Å; F43-F48 HydrophobicContact CD1-CE1 4.37Å; F43-F48 AromaticContact CE1-CD1 3.43Å; F43-F48 HydrophobicContact CE1-CD1 3.43Å; F43-F48 VanDerWaalsContact CE1-CD1 3.43Å; F43-F48 AromaticContact CE1-CE1 3.42Å; F43-F48 HydrophobicContact CE1-CE1 3.42Å; F43-F48 VanDerWaalsContact CE1-CE1 3.42Å; F43-F48 AromaticContact CZ-CD1 3.81Å; F43-F48 HydrophobicContact CZ-CD1 3.81Å; F43-F48 AromaticContact CZ-CE1 3.67Å; F43-F48 HydrophobicContact CZ-CE1 3.67Å; F48-L54 HydrophobicContact CE2-CD1 4.36Å; F48-F66 HydrophobicContact CB-CB 4.01Å; F48-F66 HydrophobicContact CB-CD1 3.88Å; F48-F66 HydrophobicContact CB-CG 4.07Å; F48-F66 HydrophobicContact CD2-CD1 4.17Å; F48-F66 HydrophobicContact CD2-CE1 4.2Å; F48-F66 HydrophobicContact CG-CD1 4.47Å; F48-Q68 PolarHBondContact O-N 3.18Å; F48-G69 PolarHBondContact O-N 2.79Å
49N97.8Very high97.5Very high41 Ų4139.3 Ų39.322%0.21923%0.227CC..EExtended strand (participates in β ladder)trans-155127.6-178.2-162.9-40.9000109.7Q42 E44 L47 F66Q42-N49 CarbonylContact C-O 3.52Å; Q42-N49 VanDerWaalsContact C-O 3.29Å; Q42-N49 WeakPolarHBondContact CB-O 3.39Å; Q42-N49 PolarHBondContact O-N 3.06Å; Q42-N49 VanDerWaalsContact O-O 3.11Å; E44-N49 HydrophobicContact CB-CB 3.58Å; E44-N49 PolarHBondContact OE2-ND2 2.87Å; L47-N49 PolarHBondContact O-N 2.93Å; N49-F66 WeakPolarHBondContact CA-O 3.49Å
50G97.3Very high97.5Very high21 Ų2139.5 Ų39.522%0.21623%0.228CC..EExtended strand (participates in β ladder)trans96.5-143.7-172.100000111.7E65 F66G50-E65 CarbonylContact O-C 3.47Å; G50-E65 WeakPolarHBondContact O-CA 3.36Å; G50-F66 PolarHBondContact N-O 3.18Å; G50-F66 PolarHBondContact O-N 2.78Å
51C97.8Very high97.5Very high6 Ų642.7 Ų42.74%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-95.5141.2-177.2-56.40000111.5G41 Q42 G64 K139 A140 L143G41-C51 WeakPolarHBondContact CA-O 3.38Å; Q42-C51 PolarHBondContact N-O 2.82Å; C51-G64 WeakPolarHBondContact CA-O 3.04Å; C51-K139 HydrophobicContact CB-CG 4.47Å; C51-A140 HydrophobicContact CB-CB 4.48Å; C51-L143 HydrophobicContact CB-CD1 3.8Å
52G98Very high97.5Very high0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-166.7170.3176.100000114T40 G64 F66 A140T40-G52 CarbonylContact O-C 3.46Å; T40-G52 VanDerWaalsContact O-CA 3.26Å; T40-G52 WeakPolarHBondContact O-CA 3.2Å; G52-G64 PolarHBondContact N-O 3.35Å; G52-G64 PolarHBondContact O-N 3.17Å; G52-G64 VanDerWaalsContact O-N 3.12Å; G52-F66 WeakPolarHBondContact O-CE2 3.5Å; G52-A140 VanDerWaalsContact O-CB 3.26Å; G52-A140 WeakPolarHBondContact O-CB 3.44Å
53V98.5Very high97.5Very high17 Ų1740 Ų4010%0.10322%0.224CC..EExtended strand (participates in β ladder)trans-115.4124.7174.7-178.40000107.9F39 T40 V55 Y62 E63 A140 R141 A144F39-V53 CarbonylContact C-O 3.29Å; F39-V53 WeakPolarHBondContact CA-O 3.44Å; T40-V53 PolarHBondContact N-O 2.82Å; T40-V53 PolarHBondContact O-N 2.84Å; V53-V55 HydrophobicContact CG1-CG2 3.95Å; V53-Y62 CarbonylContact C-O 3.49Å; V53-Y62 WeakPolarHBondContact CA-O 3.37Å; V53-E63 HydrophobicContact CG1-CG 4.07Å; V53-E63 HydrophobicContact CG2-CG 4.18Å; V53-A140 HydrophobicContact CG2-CB 3.98Å; V53-R141 HydrophobicContact CG2-CG 4.23Å; V53-A144 HydrophobicContact CB-CB 4.46Å; V53-A144 HydrophobicContact CG2-CB 4.06Å
54L98.3Very high97.5Very high13 Ų1339.8 Ų39.87%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-112.9118.9173-175.470.5000108.4T37 C38 F39 F48 F56 R61 Y62 F66 F71T37-L54 HydrophobicContact CG2-CD1 3.58Å; T37-L54 HydrophobicContact CG2-CG 4.2Å; C38-L54 CarbonylContact O-C 3.47Å; C38-L54 WeakPolarHBondContact O-CA 3.38Å; F39-L54 HydrophobicContact CB-CD1 3.76Å; F39-L54 HydrophobicContact CD2-CB 4.19Å; F39-L54 HydrophobicContact CD2-CD1 4.09Å; F39-L54 HydrophobicContact CG-CD1 4.43Å; F48-L54 HydrophobicContact CE2-CD1 4.36Å; L54-F56 HydrophobicContact CD2-CE1 3.91Å; L54-F56 HydrophobicContact CD2-CE2 3.99Å; L54-F56 HydrophobicContact CD2-CZ 3.41Å; L54-F56 VanDerWaalsContact CD2-CZ 3.41Å; L54-F56 HydrophobicContact CG-CE1 4.41Å; L54-F56 HydrophobicContact CG-CE2 4.26Å; L54-F56 HydrophobicContact CG-CZ 4.05Å; L54-R61 CarbonylContact O-C 3.51Å; L54-R61 WeakPolarHBondContact O-CA 2.92Å; L54-R61 WeakPolarHBondContact O-CB 3.43Å; L54-Y62 PolarHBondContact N-O 2.88Å; L54-Y62 PolarHBondContact O-N 2.86Å; L54-F66 HydrophobicContact CB-CZ 3.94Å; L54-F71 HydrophobicContact CD2-CE1 3.72Å; L54-F71 HydrophobicContact CD2-CZ 3.87Å
55V98.2Very high97.6Very high59 Ų5939.3 Ų39.336%0.35822%0.221SC..EExtended strand (participates in β ladder)trans-110.6127.9177.9-175.20000108.6T37 C38 V53 R61T37-V55 CarbonylContact C-O 3.53Å; T37-V55 WeakPolarHBondContact CA-O 3.45Å; T37-V55 WeakPolarHBondContact CG2-O 3.36Å; C38-V55 PolarHBondContact N-O 2.79Å; C38-V55 PolarHBondContact O-N 2.86Å; V53-V55 HydrophobicContact CG1-CG2 3.95Å; V55-R61 HydrophobicContact CG2-CB 4.29Å
56F97.9Very high97.7Very high61 Ų6134.8 Ų34.827%0.26820%0.196SC..  trans-94.2158.3179-63.7-81.9000111T37 L54 D58 G59 S60 F71 F77T37-F56 HydrophobicContact CG2-CD1 4.19Å; T37-F56 HydrophobicContact CG2-CE1 4.5Å; L54-F56 HydrophobicContact CD2-CE1 3.91Å; L54-F56 HydrophobicContact CD2-CE2 3.99Å; L54-F56 HydrophobicContact CD2-CZ 3.41Å; L54-F56 VanDerWaalsContact CD2-CZ 3.41Å; L54-F56 HydrophobicContact CG-CE1 4.41Å; L54-F56 HydrophobicContact CG-CE2 4.26Å; L54-F56 HydrophobicContact CG-CZ 4.05Å; F56-D58 WeakPolarHBondContact CB-OD1 3.47Å; F56-D58 PolarHBondContact O-N 2.96Å; F56-G59 PolarHBondContact O-N 2.92Å; F56-S60 WeakPolarHBondContact CD2-O 3.48Å; F56-S60 PolarHBondContact N-O 2.67Å; F56-F71 HydrophobicContact CE2-CZ 4.35Å; F56-F71 HydrophobicContact CZ-CZ 4.08Å; F56-F77 HydrophobicContact CE2-CE2 4.07Å
57P97.6Very high97.8Very high86 Ų8637.5 Ų37.556%0.55821%0.212SC*.THydrogen-bonded Turntrans-62.2-26.3-178.6-23.734.4000114.1D35 T37 G59D35-P57 WeakPolarHBondContact O-CG 3.41Å; T37-P57 WeakPolarHBondContact OG1-CD 3.45Å; P57-G59 PolarHBondContact O-N 2.97Å
58D96.9Very high97.8Very high85 Ų8540.2 Ų40.246%0.45522%0.222SC..THydrogen-bonded Turntrans-75.1-7.1176.269.1-11.3000113F56 S60 F80F56-D58 WeakPolarHBondContact CB-OD1 3.47Å; F56-D58 PolarHBondContact O-N 2.96Å; D58-S60 WeakPolarHBondContact OD1-CA 3.26Å; D58-S60 WeakPolarHBondContact OD1-CB 3.5Å; D58-S60 PolarHBondContact OD1-N 2.77Å; D58-S60 PolarHBondContact OD1-OG 3.47Å; D58-S60 VanDerWaalsContact OD1-OG 3.04Å; D58-S60 PolarHBondContact OD2-OG 3.11Å; D58-F80 HydrophobicContact CB-CB 4.4Å; D58-F80 HydrophobicContact CB-CD1 4.3Å; D58-F80 WeakPolarHBondContact O-CB 3.14Å; D58-F80 WeakPolarHBondContact OD2-CD1 3.4Å
59G95.9Very high97.6Very high42 Ų4240.7 Ų40.743%0.43323%0.233SC..SBendtrans89.4-2.3-17500000114.1F56 P57F56-G59 PolarHBondContact O-N 2.92Å; P57-G59 PolarHBondContact O-N 2.97Å
60S97.6Very high97.6Very high3 Ų344.5 Ų44.52%0.02125%0.247CC..  trans-62.2151.8166.6-58.60000109.7F56 D58 T78 R79 F80F56-S60 WeakPolarHBondContact CD2-O 3.48Å; F56-S60 PolarHBondContact N-O 2.67Å; D58-S60 WeakPolarHBondContact OD1-CA 3.26Å; D58-S60 WeakPolarHBondContact OD1-CB 3.5Å; D58-S60 PolarHBondContact OD1-N 2.77Å; D58-S60 PolarHBondContact OD1-OG 3.47Å; D58-S60 VanDerWaalsContact OD1-OG 3.04Å; D58-S60 PolarHBondContact OD2-OG 3.11Å; S60-T78 CarbonylContact C-O 3.48Å; S60-T78 VanDerWaalsContact CA-O 3.25Å; S60-T78 WeakPolarHBondContact CA-O 3.46Å; S60-R79 WeakPolarHBondContact OG-CA 3.33Å; S60-F80 PolarHBondContact OG-N 3.19Å
61R97.9Very high97.6Very high92 Ų9245 Ų4535%0.34724%0.243SC..EExtended strand (participates in β ladder)trans-150.3150.5177.167.5-174.9-172.6-77.1-7.3112.8L54 V55 E63 F77 T78L54-R61 CarbonylContact O-C 3.51Å; L54-R61 WeakPolarHBondContact O-CA 2.92Å; L54-R61 WeakPolarHBondContact O-CB 3.43Å; V55-R61 HydrophobicContact CG2-CB 4.29Å; R61-E63 WeakPolarHBondContact CD-OE1 3.1Å; R61-E63 IonicContact CZ-OE1 3.62Å; R61-E63 IonicContact NE-OE1 3.81Å; R61-E63 PolarHBondContact NE-OE1 3.34Å; R61-E63 IonicContact NH2-OE1 3.72Å; R61-F77 CarbonylContact O-C 3.57Å; R61-F77 WeakPolarHBondContact O-CA 3.31Å; R61-T78 PolarHBondContact N-O 3.27Å; R61-T78 PolarHBondContact NH2-OG1 3.35Å; R61-T78 PolarHBondContact O-N 3.12Å
62Y98.3Very high97.6Very high0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-117.6134167.9177.7-92.1000109.8V53 L54 E65 F66 F71 V76 F77 F89V53-Y62 CarbonylContact C-O 3.49Å; V53-Y62 WeakPolarHBondContact CA-O 3.37Å; L54-Y62 PolarHBondContact N-O 2.88Å; L54-Y62 PolarHBondContact O-N 2.86Å; Y62-E65 WeakPolarHBondContact CE1-O 3.45Å; Y62-E65 PolarHBondContact OH-N 2.94Å; Y62-E65 PolarHBondContact OH-O 3.47Å; Y62-F66 HydrophobicContact CD1-CD2 4.46Å; Y62-F66 HydrophobicContact CD1-CE1 4.19Å; Y62-F66 AromaticContact CD1-CE2 3.46Å; Y62-F66 HydrophobicContact CD1-CE2 3.46Å; Y62-F66 VanDerWaalsContact CD1-CE2 3.46Å; Y62-F66 AromaticContact CD1-CZ 3.3Å; Y62-F66 HydrophobicContact CD1-CZ 3.3Å; Y62-F66 HydrophobicContact CE1-CD2 4.01Å; Y62-F66 HydrophobicContact CE1-CE1 4.32Å; Y62-F66 AromaticContact CE1-CE2 3.41Å; Y62-F66 HydrophobicContact CE1-CE2 3.41Å; Y62-F66 VanDerWaalsContact CE1-CE2 3.41Å; Y62-F66 AromaticContact CE1-CZ 3.61Å; Y62-F66 HydrophobicContact CE1-CZ 3.61Å; Y62-F66 HydrophobicContact CG-CZ 4.41Å; Y62-F71 AromaticContact CD1-CD1 3.36Å; Y62-F71 HydrophobicContact CD1-CD1 3.36Å; Y62-F71 AromaticContact CD1-CE1 3.5Å; Y62-F71 HydrophobicContact CD1-CE1 3.5Å; Y62-F71 VanDerWaalsContact CD1-CE1 3.5Å; Y62-F71 HydrophobicContact CD1-CG 4.13Å; Y62-F71 HydrophobicContact CD1-CZ 4.33Å; Y62-F71 HydrophobicContact CD2-CB 4.41Å; Y62-F71 AromaticContact CD2-CD1 3.85Å; Y62-F71 HydrophobicContact CD2-CD1 3.85Å; Y62-F71 AromaticContact CD2-CD2 3.98Å; Y62-F71 HydrophobicContact CD2-CD2 3.98Å; Y62-F71 HydrophobicContact CD2-CE1 4.05Å; Y62-F71 HydrophobicContact CD2-CE2 4.16Å; Y62-F71 AromaticContact CD2-CG 3.82Å; Y62-F71 HydrophobicContact CD2-CG 3.82Å; Y62-F71 HydrophobicContact CD2-CZ 4.2Å; Y62-F71 HydrophobicContact CE1-CB 4.2Å; Y62-F71 AromaticContact CE1-CD1 3.48Å; Y62-F71 HydrophobicContact CE1-CD1 3.48Å; Y62-F71 VanDerWaalsContact CE1-CD1 3.48Å; Y62-F71 HydrophobicContact CE1-CE1 4.11Å; Y62-F71 HydrophobicContact CE1-CG 4.03Å; Y62-F71 HydrophobicContact CE2-CB 3.81Å; Y62-F71 AromaticContact CE2-CD1 3.98Å; Y62-F71 HydrophobicContact CE2-CD1 3.98Å; Y62-F71 HydrophobicContact CE2-CD2 4.19Å; Y62-F71 AromaticContact CE2-CG 3.74Å; Y62-F71 HydrophobicContact CE2-CG 3.74Å; Y62-F71 AromaticContact CG-CD1 3.52Å; Y62-F71 HydrophobicContact CG-CD1 3.52Å; Y62-F71 HydrophobicContact CG-CD2 4.32Å; Y62-F71 AromaticContact CG-CE1 3.42Å; Y62-F71 HydrophobicContact CG-CE1 3.42Å; Y62-F71 VanDerWaalsContact CG-CE1 3.42Å; Y62-F71 HydrophobicContact CG-CE2 4.23Å; Y62-F71 AromaticContact CG-CG 4Å; Y62-F71 HydrophobicContact CG-CG 4Å; Y62-F71 AromaticContact CG-CZ 3.79Å; Y62-F71 HydrophobicContact CG-CZ 3.79Å; Y62-F71 AromaticContact CZ-CD1 3.78Å; Y62-F71 AromaticContact CZ-CG 3.82Å; Y62-V76 CarbonylContact C-O 3.52Å; Y62-V76 WeakPolarHBondContact CA-O 3.39Å; Y62-F77 HydrophobicContact CD2-CB 4.27Å; Y62-F77 HydrophobicContact CD2-CD2 4.46Å; Y62-F89 HydrophobicContact CD2-CE1 4.46Å; Y62-F89 HydrophobicContact CD2-CE2 4.45Å; Y62-F89 HydrophobicContact CD2-CZ 4.21Å; Y62-F89 HydrophobicContact CE2-CD1 4.22Å; Y62-F89 AromaticContact CE2-CD2 3.79Å; Y62-F89 HydrophobicContact CE2-CD2 3.79Å; Y62-F89 HydrophobicContact CE2-CE1 4.11Å; Y62-F89 AromaticContact CE2-CE2 3.69Å; Y62-F89 HydrophobicContact CE2-CE2 3.69Å; Y62-F89 HydrophobicContact CE2-CG 4.05Å; Y62-F89 AromaticContact CE2-CZ 3.84Å; Y62-F89 HydrophobicContact CE2-CZ 3.84Å
63E98.5Very high97.6Very high9 Ų948.7 Ų48.74%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-129.1111177.3-59.2168.2-143.300108.4V53 R61 G75 V76 S137 A140 R141V53-E63 HydrophobicContact CG1-CG 4.07Å; V53-E63 HydrophobicContact CG2-CG 4.18Å; R61-E63 WeakPolarHBondContact CD-OE1 3.1Å; R61-E63 IonicContact CZ-OE1 3.62Å; R61-E63 IonicContact NE-OE1 3.81Å; R61-E63 PolarHBondContact NE-OE1 3.34Å; R61-E63 IonicContact NH2-OE1 3.72Å; E63-G75 WeakPolarHBondContact O-CA 3.33Å; E63-V76 PolarHBondContact N-O 3.28Å; E63-V76 PolarHBondContact O-N 2.99Å; E63-S137 PolarHBondContact OE2-OG 2.82Å; E63-A140 HydrophobicContact CB-CB 4.46Å; E63-R141 HydrophobicContact CG-CG 4.46Å; E63-R141 WeakPolarHBondContact OE2-CD 3.28Å; E63-R141 WeakPolarHBondContact OE2-CG 3.48Å; E63-R141 IonicContact OE2-CZ 2.74Å; E63-R141 IonicContact OE2-NE 2.66Å; E63-R141 PolarHBondContact OE2-NE 3.25Å
64G98.2Very high97.6Very high0 Ų048.1 Ų48.10%026%0.264CS..EExtended strand (participates in β ladder)trans166-150-177.900000113.9C51 G52C51-G64 WeakPolarHBondContact CA-O 3.04Å; G52-G64 PolarHBondContact N-O 3.35Å; G52-G64 PolarHBondContact O-N 3.17Å; G52-G64 VanDerWaalsContact O-N 3.12Å
65E98.3Very high97.6Very high79 Ų7947.5 Ų47.537%0.36926%0.261SS..EExtended strand (participates in β ladder)trans-89147.1-177.1-74.7166.9-144.900112.6G50 Y62 Q72 A74G50-E65 CarbonylContact O-C 3.47Å; G50-E65 WeakPolarHBondContact O-CA 3.36Å; Y62-E65 WeakPolarHBondContact CE1-O 3.45Å; Y62-E65 PolarHBondContact OH-N 2.94Å; Y62-E65 PolarHBondContact OH-O 3.47Å; E65-Q72 CarbonylContact C-O 3.59Å; E65-Q72 VanDerWaalsContact C-O 3.23Å; E65-Q72 WeakPolarHBondContact CB-O 3.26Å; E65-Q72 PolarHBondContact O-N 3Å; E65-Q72 VanDerWaalsContact O-N 3.08Å; E65-A74 PolarHBondContact N-O 3.02Å; E65-A74 VanDerWaalsContact N-O 3.08Å
66F98.4Very high97.6Very high3 Ų345 Ų451%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-133.7143-179.4-71.4-99.6000110.5F39 F48 N49 G50 G52 L54 Y62 K70 F71F39-F66 HydrophobicContact CD2-CE1 4.38Å; F39-F66 HydrophobicContact CD2-CE2 4.49Å; F39-F66 HydrophobicContact CD2-CZ 4.11Å; F39-F66 HydrophobicContact CE2-CD1 4.26Å; F39-F66 AromaticContact CE2-CD2 3.93Å; F39-F66 HydrophobicContact CE2-CD2 3.93Å; F39-F66 AromaticContact CE2-CE1 3.98Å; F39-F66 HydrophobicContact CE2-CE1 3.98Å; F39-F66 AromaticContact CE2-CE2 3.66Å; F39-F66 HydrophobicContact CE2-CE2 3.66Å; F39-F66 HydrophobicContact CE2-CG 4.22Å; F39-F66 AromaticContact CE2-CZ 3.67Å; F39-F66 HydrophobicContact CE2-CZ 3.67Å; F39-F66 HydrophobicContact CZ-CD2 4.48Å; F48-F66 HydrophobicContact CB-CB 4.01Å; F48-F66 HydrophobicContact CB-CD1 3.88Å; F48-F66 HydrophobicContact CB-CG 4.07Å; F48-F66 HydrophobicContact CD2-CD1 4.17Å; F48-F66 HydrophobicContact CD2-CE1 4.2Å; F48-F66 HydrophobicContact CG-CD1 4.47Å; N49-F66 WeakPolarHBondContact CA-O 3.49Å; G50-F66 PolarHBondContact N-O 3.18Å; G50-F66 PolarHBondContact O-N 2.78Å; G52-F66 WeakPolarHBondContact O-CE2 3.5Å; L54-F66 HydrophobicContact CB-CZ 3.94Å; Y62-F66 HydrophobicContact CD1-CD2 4.46Å; Y62-F66 HydrophobicContact CD1-CE1 4.19Å; Y62-F66 AromaticContact CD1-CE2 3.46Å; Y62-F66 HydrophobicContact CD1-CE2 3.46Å; Y62-F66 VanDerWaalsContact CD1-CE2 3.46Å; Y62-F66 AromaticContact CD1-CZ 3.3Å; Y62-F66 HydrophobicContact CD1-CZ 3.3Å; Y62-F66 HydrophobicContact CE1-CD2 4.01Å; Y62-F66 HydrophobicContact CE1-CE1 4.32Å; Y62-F66 AromaticContact CE1-CE2 3.41Å; Y62-F66 HydrophobicContact CE1-CE2 3.41Å; Y62-F66 VanDerWaalsContact CE1-CE2 3.41Å; Y62-F66 AromaticContact CE1-CZ 3.61Å; Y62-F66 HydrophobicContact CE1-CZ 3.61Å; Y62-F66 HydrophobicContact CG-CZ 4.41Å; F66-K70 CarbonylContact C-O 3.53Å; F66-K70 VanDerWaalsContact CA-O 3.23Å; F66-K70 WeakPolarHBondContact CA-O 3.49Å; F66-F71 HydrophobicContact CD1-CD1 4.04Å; F66-F71 HydrophobicContact CD1-CE1 4.5Å; F66-F71 AromaticContact CE1-CD1 3.4Å; F66-F71 HydrophobicContact CE1-CD1 3.4Å; F66-F71 AromaticContact CE1-CE1 3.48Å; F66-F71 HydrophobicContact CE1-CE1 3.48Å; F66-F71 VanDerWaalsContact CE1-CE1 3.48Å; F66-F71 AromaticContact CZ-CD1 3.75Å; F66-F71 HydrophobicContact CZ-CD1 3.75Å; F66-F71 AromaticContact CZ-CE1 3.71Å; F66-F71 HydrophobicContact CZ-CE1 3.71Å
67V98.2Very high97.6Very high66 Ų6644.4 Ų44.440%0.424%0.243SC..EExtended strand (participates in β ladder)trans-137.6127.1167.71730000108.5G69 K70 Q72V67-G69 PolarHBondContact O-N 3.15Å; V67-K70 PolarHBondContact N-O 3.45Å; V67-K70 PolarHBondContact O-N 3.39Å; V67-Q72 HydrophobicContact CB-CB 3.91Å; V67-Q72 HydrophobicContact CB-CG 3.89Å; V67-Q72 HydrophobicContact CG2-CB 3.89Å; V67-Q72 HydrophobicContact CG2-CG 3.66Å
68Q96.1Very high97.6Very high141 Ų14141.1 Ų41.166%0.65922%0.221SC*.THydrogen-bonded Turntrans5043.4179.5-61.7-177.8-3.400113.3L47 F48 K70L47-Q68 HydrophobicContact CD1-CB 4.19Å; F48-Q68 PolarHBondContact O-N 3.18Å; Q68-K70 VanDerWaalsContact C-N 3.29Å; Q68-K70 PolarHBondContact O-N 2.99Å
69G94.9Very high97.5Very high31 Ų3141.3 Ų41.332%0.3222%0.215SC..THydrogen-bonded Turntrans81-0.8178.200000115.5F48 V67F48-G69 PolarHBondContact O-N 2.79Å; V67-G69 PolarHBondContact O-N 3.15Å
70K97.1Very high97.5Very high120 Ų12045.5 Ų45.552%0.52222%0.222SC..EExtended strand (participates in β ladder)trans-112.8148.6-177.1-61.5-177.7-178.7-177.90111.6F66 V67 Q68 Q72F66-K70 CarbonylContact C-O 3.53Å; F66-K70 VanDerWaalsContact CA-O 3.23Å; F66-K70 WeakPolarHBondContact CA-O 3.49Å; V67-K70 PolarHBondContact N-O 3.45Å; V67-K70 PolarHBondContact O-N 3.39Å; Q68-K70 VanDerWaalsContact C-N 3.29Å; Q68-K70 PolarHBondContact O-N 2.99Å; K70-Q72 PolarHBondContact O-N 3.43Å
71F97.2Very high97.3Very high31 Ų3148.5 Ų48.514%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-57.8129.5168-48.9-32.9000109.6L54 F56 Y62 F66 F89 G91 G92L54-F71 HydrophobicContact CD2-CE1 3.72Å; L54-F71 HydrophobicContact CD2-CZ 3.87Å; F56-F71 HydrophobicContact CE2-CZ 4.35Å; F56-F71 HydrophobicContact CZ-CZ 4.08Å; Y62-F71 AromaticContact CD1-CD1 3.36Å; Y62-F71 HydrophobicContact CD1-CD1 3.36Å; Y62-F71 AromaticContact CD1-CE1 3.5Å; Y62-F71 HydrophobicContact CD1-CE1 3.5Å; Y62-F71 VanDerWaalsContact CD1-CE1 3.5Å; Y62-F71 HydrophobicContact CD1-CG 4.13Å; Y62-F71 HydrophobicContact CD1-CZ 4.33Å; Y62-F71 HydrophobicContact CD2-CB 4.41Å; Y62-F71 AromaticContact CD2-CD1 3.85Å; Y62-F71 HydrophobicContact CD2-CD1 3.85Å; Y62-F71 AromaticContact CD2-CD2 3.98Å; Y62-F71 HydrophobicContact CD2-CD2 3.98Å; Y62-F71 HydrophobicContact CD2-CE1 4.05Å; Y62-F71 HydrophobicContact CD2-CE2 4.16Å; Y62-F71 AromaticContact CD2-CG 3.82Å; Y62-F71 HydrophobicContact CD2-CG 3.82Å; Y62-F71 HydrophobicContact CD2-CZ 4.2Å; Y62-F71 HydrophobicContact CE1-CB 4.2Å; Y62-F71 AromaticContact CE1-CD1 3.48Å; Y62-F71 HydrophobicContact CE1-CD1 3.48Å; Y62-F71 VanDerWaalsContact CE1-CD1 3.48Å; Y62-F71 HydrophobicContact CE1-CE1 4.11Å; Y62-F71 HydrophobicContact CE1-CG 4.03Å; Y62-F71 HydrophobicContact CE2-CB 3.81Å; Y62-F71 AromaticContact CE2-CD1 3.98Å; Y62-F71 HydrophobicContact CE2-CD1 3.98Å; Y62-F71 HydrophobicContact CE2-CD2 4.19Å; Y62-F71 AromaticContact CE2-CG 3.74Å; Y62-F71 HydrophobicContact CE2-CG 3.74Å; Y62-F71 AromaticContact CG-CD1 3.52Å; Y62-F71 HydrophobicContact CG-CD1 3.52Å; Y62-F71 HydrophobicContact CG-CD2 4.32Å; Y62-F71 AromaticContact CG-CE1 3.42Å; Y62-F71 HydrophobicContact CG-CE1 3.42Å; Y62-F71 VanDerWaalsContact CG-CE1 3.42Å; Y62-F71 HydrophobicContact CG-CE2 4.23Å; Y62-F71 AromaticContact CG-CG 4Å; Y62-F71 HydrophobicContact CG-CG 4Å; Y62-F71 AromaticContact CG-CZ 3.79Å; Y62-F71 HydrophobicContact CG-CZ 3.79Å; Y62-F71 AromaticContact CZ-CD1 3.78Å; Y62-F71 AromaticContact CZ-CG 3.82Å; F66-F71 HydrophobicContact CD1-CD1 4.04Å; F66-F71 HydrophobicContact CD1-CE1 4.5Å; F66-F71 AromaticContact CE1-CD1 3.4Å; F66-F71 HydrophobicContact CE1-CD1 3.4Å; F66-F71 AromaticContact CE1-CE1 3.48Å; F66-F71 HydrophobicContact CE1-CE1 3.48Å; F66-F71 VanDerWaalsContact CE1-CE1 3.48Å; F66-F71 AromaticContact CZ-CD1 3.75Å; F66-F71 HydrophobicContact CZ-CD1 3.75Å; F66-F71 AromaticContact CZ-CE1 3.71Å; F66-F71 HydrophobicContact CZ-CE1 3.71Å; F71-F89 HydrophobicContact CB-CB 3.98Å; F71-F89 HydrophobicContact CB-CD1 4.02Å; F71-F89 HydrophobicContact CB-CG 4.13Å; F71-F89 HydrophobicContact CD2-CD1 4.3Å; F71-F89 HydrophobicContact CD2-CE1 4.45Å; F71-G91 PolarHBondContact O-N 2.74Å; F71-G92 PolarHBondContact O-N 2.82Å
72Q98Very high96.9Very high61 Ų6145.9 Ų45.929%0.28524%0.239SC..EExtended strand (participates in β ladder)trans-151.4146.6-174.4-173.264.336.600108.8E65 V67 K70 F89E65-Q72 CarbonylContact C-O 3.59Å; E65-Q72 VanDerWaalsContact C-O 3.23Å; E65-Q72 WeakPolarHBondContact CB-O 3.26Å; E65-Q72 PolarHBondContact O-N 3Å; E65-Q72 VanDerWaalsContact O-N 3.08Å; V67-Q72 HydrophobicContact CB-CB 3.91Å; V67-Q72 HydrophobicContact CB-CG 3.89Å; V67-Q72 HydrophobicContact CG2-CB 3.89Å; V67-Q72 HydrophobicContact CG2-CG 3.66Å; K70-Q72 PolarHBondContact O-N 3.43Å; Q72-F89 CarbonylContact C-O 3.6Å; Q72-F89 WeakPolarHBondContact CA-O 3.33Å
73G97.5Very high96.7Very high23 Ų2347.8 Ų47.824%0.23725%0.248CC..EExtended strand (participates in β ladder)trans72.7-139.4176.300000111.7E88 F89G73-E88 CarbonylContact O-C 3.53Å; G73-E88 WeakPolarHBondContact O-CA 3.23Å; G73-F89 PolarHBondContact N-O 3.3Å; G73-F89 PolarHBondContact O-N 3.07Å
74A98.3Very high96.6Very high6 Ų650.5 Ų50.55%0.0526%0.26CS..EExtended strand (participates in β ladder)trans-91.9138.3-176.500000112.1E65 R132 A136E65-A74 PolarHBondContact N-O 3.02Å; E65-A74 VanDerWaalsContact N-O 3.08Å; A74-R132 HydrophobicContact CB-CB 4Å; A74-A136 HydrophobicContact CB-CB 4.05Å; A74-A136 VanDerWaalsContact O-CB 3.32Å; A74-A136 WeakPolarHBondContact O-CB 3.49Å
75G98.3Very high96.6Very high0 Ų050.8 Ų50.80%026%0.262CS..EExtended strand (participates in β ladder)trans-167.6168.5178.400000114.7E63 G87 F89 A133E63-G75 WeakPolarHBondContact O-CA 3.33Å; G75-G87 PolarHBondContact N-O 2.99Å; G75-G87 PolarHBondContact O-N 2.83Å; G75-G87 VanDerWaalsContact O-N 3.13Å; G75-F89 WeakPolarHBondContact O-CE2 3.23Å; G75-A133 VanDerWaalsContact O-CB 3.27Å; G75-A133 WeakPolarHBondContact O-CB 3.34Å
76V98.4Very high96.5Very high6 Ų647.6 Ų47.64%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-120.1120175.9-1780000108.8Y62 E63 K84 F85 E86 A133Y62-V76 CarbonylContact C-O 3.52Å; Y62-V76 WeakPolarHBondContact CA-O 3.39Å; E63-V76 PolarHBondContact N-O 3.28Å; E63-V76 PolarHBondContact O-N 2.99Å; V76-K84 HydrophobicContact CG1-CD 3.99Å; V76-K84 HydrophobicContact CG1-CG 3.94Å; V76-F85 CarbonylContact C-O 3.4Å; V76-F85 WeakPolarHBondContact CA-O 3.29Å; V76-E86 HydrophobicContact CB-CG 4.49Å; V76-E86 HydrophobicContact CG1-CG 3.92Å; V76-E86 HydrophobicContact CG2-CB 4.5Å; V76-E86 HydrophobicContact CG2-CG 3.99Å; V76-A133 HydrophobicContact CG2-CB 4.25Å
77F98Very high96.5Very high49 Ų4947.4 Ų47.422%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-104124.5170.8-176.9-98.2000109.3F56 R61 Y62 R79 K84 F85 F89F56-F77 HydrophobicContact CE2-CE2 4.07Å; R61-F77 CarbonylContact O-C 3.57Å; R61-F77 WeakPolarHBondContact O-CA 3.31Å; Y62-F77 HydrophobicContact CD2-CB 4.27Å; Y62-F77 HydrophobicContact CD2-CD2 4.46Å; F77-R79 HydrophobicContact CE1-CB 3.9Å; F77-R79 HydrophobicContact CE1-CG 4.48Å; F77-K84 CarbonylContact O-C 3.23Å; F77-K84 VanDerWaalsContact O-CA 3.29Å; F77-K84 WeakPolarHBondContact O-CA 3.45Å; F77-F85 PolarHBondContact N-O 3.45Å; F77-F85 PolarHBondContact O-N 2.87Å; F77-F89 HydrophobicContact CB-CE1 4.44Å; F77-F89 HydrophobicContact CB-CZ 3.87Å
78T97.1Very high96.5Very high16 Ų1646.5 Ų46.510%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-117.2119.2172.1-52.30000108.4S60 R61 M83S60-T78 CarbonylContact C-O 3.48Å; S60-T78 VanDerWaalsContact CA-O 3.25Å; S60-T78 WeakPolarHBondContact CA-O 3.46Å; R61-T78 PolarHBondContact N-O 3.27Å; R61-T78 PolarHBondContact NH2-OG1 3.35Å; R61-T78 PolarHBondContact O-N 3.12Å; T78-M83 CarbonylContact C-O 3.56Å; T78-M83 WeakPolarHBondContact CA-O 3.31Å
79R95.9Very high96.6Very high89 Ų8940.2 Ų40.234%0.33621%0.208SC..  trans-82155.1175.5-168.2165.867.7-1775.8110.5S60 F77 D81 G82 M83S60-R79 WeakPolarHBondContact OG-CA 3.33Å; F77-R79 HydrophobicContact CE1-CB 3.9Å; F77-R79 HydrophobicContact CE1-CG 4.48Å; R79-D81 WeakPolarHBondContact CB-OD1 3.36Å; R79-D81 WeakPolarHBondContact CG-OD1 3.46Å; R79-D81 IonicContact CZ-OD1 3.05Å; R79-D81 IonicContact CZ-OD2 2.99Å; R79-D81 VanDerWaalsContact CZ-OD2 3.29Å; R79-D81 VanDerWaalsContact NE-CG 3.28Å; R79-D81 IonicContact NE-OD1 3.78Å; R79-D81 PolarHBondContact NE-OD1 2.6Å; R79-D81 IonicContact NE-OD2 2.77Å; R79-D81 PolarHBondContact NE-OD2 2.93Å; R79-D81 IonicContact NH2-OD1 2.71Å; R79-D81 IonicContact NH2-OD2 3.66Å; R79-D81 PolarHBondContact NH2-OD2 3.33Å; R79-D81 PolarHBondContact O-N 3.09Å; R79-G82 PolarHBondContact O-N 2.84Å; R79-M83 HydrophobicContact CB-CB 4.16Å; R79-M83 PolarHBondContact N-O 2.82Å; R79-M83 PolarHBondContact NH2-SD 3.16Å
80F95.4Very high96.7Very high131 Ų13144.7 Ų44.758%0.57522%0.218SC*.THydrogen-bonded Turntrans-50.9-29.8178.268.8-92000114.7D58 S60 G82D58-F80 HydrophobicContact CB-CB 4.4Å; D58-F80 HydrophobicContact CB-CD1 4.3Å; D58-F80 WeakPolarHBondContact O-CB 3.14Å; D58-F80 WeakPolarHBondContact OD2-CD1 3.4Å; S60-F80 PolarHBondContact OG-N 3.19Å; F80-G82 VanDerWaalsContact C-N 3.3Å; F80-G82 PolarHBondContact O-N 3.46Å
81D92.5Very high96.6Very high65 Ų6540.8 Ų40.835%0.34821%0.212SC..THydrogen-bonded Turntrans-83.1-4.5-179.669.9-15.9000113.6R79 M83 A103R79-D81 WeakPolarHBondContact CB-OD1 3.36Å; R79-D81 WeakPolarHBondContact CG-OD1 3.46Å; R79-D81 IonicContact CZ-OD1 3.05Å; R79-D81 IonicContact CZ-OD2 2.99Å; R79-D81 VanDerWaalsContact CZ-OD2 3.29Å; R79-D81 VanDerWaalsContact NE-CG 3.28Å; R79-D81 IonicContact NE-OD1 3.78Å; R79-D81 PolarHBondContact NE-OD1 2.6Å; R79-D81 IonicContact NE-OD2 2.77Å; R79-D81 PolarHBondContact NE-OD2 2.93Å; R79-D81 IonicContact NH2-OD1 2.71Å; R79-D81 IonicContact NH2-OD2 3.66Å; R79-D81 PolarHBondContact NH2-OD2 3.33Å; R79-D81 PolarHBondContact O-N 3.09Å; D81-M83 VanDerWaalsContact OD1-CB 3.28Å; D81-M83 WeakPolarHBondContact OD1-CB 3.33Å; D81-M83 PolarHBondContact OD1-N 2.87Å; D81-A103 WeakPolarHBondContact O-CB 3.21Å
82G91.1Very high96.4Very high37 Ų3741 Ų4138%0.38122%0.223SC..SBendtrans96.5-3.5-178.100000114.5R79 F80 K84R79-G82 PolarHBondContact O-N 2.84Å; F80-G82 VanDerWaalsContact C-N 3.3Å; F80-G82 PolarHBondContact O-N 3.46Å; G82-K84 PolarHBondContact O-N 3.48Å
83M94.2Very high96.2Very high40 Ų4040.3 Ų40.320%0.19722%0.224CC..  trans-61130.8168.1177.6-173.1165.200109.6T78 R79 D81 L100 T101 F102T78-M83 CarbonylContact C-O 3.56Å; T78-M83 WeakPolarHBondContact CA-O 3.31Å; R79-M83 HydrophobicContact CB-CB 4.16Å; R79-M83 PolarHBondContact N-O 2.82Å; R79-M83 PolarHBondContact NH2-SD 3.16Å; D81-M83 VanDerWaalsContact OD1-CB 3.28Å; D81-M83 WeakPolarHBondContact OD1-CB 3.33Å; D81-M83 PolarHBondContact OD1-N 2.87Å; M83-L100 HydrophobicContact CE-CD1 3.22Å; M83-L100 HydrophobicContact CE-CD2 4.03Å; M83-L100 HydrophobicContact CE-CG 4.24Å; M83-L100 HydrophobicContact CG-CD1 3.71Å; M83-L100 HydrophobicContact SD-CD1 4.2Å; M83-T101 CarbonylContact C-O 3.57Å; M83-T101 WeakPolarHBondContact CA-O 2.92Å; M83-F102 HydrophobicContact CG-CD1 4.41Å
84K95.8Very high96.1Very high66 Ų6640.2 Ų40.229%0.28722%0.219SC..EExtended strand (participates in β ladder)trans-128.6131.6-178.6-174-179.659.5154.20110.9V76 F77 G82 E86 L100 T101V76-K84 HydrophobicContact CG1-CD 3.99Å; V76-K84 HydrophobicContact CG1-CG 3.94Å; F77-K84 CarbonylContact O-C 3.23Å; F77-K84 VanDerWaalsContact O-CA 3.29Å; F77-K84 WeakPolarHBondContact O-CA 3.45Å; G82-K84 PolarHBondContact O-N 3.48Å; K84-E86 HydrophobicContact CD-CG 4.05Å; K84-E86 VanDerWaalsContact CE-CD 3.48Å; K84-E86 WeakPolarHBondContact CE-OE2 3.23Å; K84-E86 HydrophobicContact CG-CG 4.13Å; K84-E86 IonicContact NZ-OE1 3.29Å; K84-E86 PolarHBondContact NZ-OE1 2.77Å; K84-E86 IonicContact NZ-OE2 3.65Å; K84-E86 PolarHBondContact NZ-OE2 2.86Å; K84-L100 CarbonylContact O-C 3.47Å; K84-T101 PolarHBondContact N-O 2.77Å; K84-T101 PolarHBondContact O-N 2.81Å
85F97Very high96Very high7 Ų742.5 Ų42.53%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-114.5129.6168.6-178.9-93.2000110.2V76 F77 F89 V94 L99 L100 F115V76-F85 CarbonylContact C-O 3.4Å; V76-F85 WeakPolarHBondContact CA-O 3.29Å; F77-F85 PolarHBondContact N-O 3.45Å; F77-F85 PolarHBondContact O-N 2.87Å; F85-F89 HydrophobicContact CD1-CE1 4.31Å; F85-F89 AromaticContact CD1-CE2 3.62Å; F85-F89 HydrophobicContact CD1-CE2 3.62Å; F85-F89 AromaticContact CD1-CZ 3.43Å; F85-F89 HydrophobicContact CD1-CZ 3.43Å; F85-F89 VanDerWaalsContact CD1-CZ 3.43Å; F85-F89 HydrophobicContact CE1-CD2 4.43Å; F85-F89 AromaticContact CE1-CE2 3.77Å; F85-F89 HydrophobicContact CE1-CE2 3.77Å; F85-F89 AromaticContact CE1-CZ 3.92Å; F85-F89 HydrophobicContact CE1-CZ 3.92Å; F85-F89 HydrophobicContact CG-CZ 4.49Å; F85-V94 HydrophobicContact CD1-CG1 4.29Å; F85-V94 HydrophobicContact CD1-CG2 3.78Å; F85-V94 HydrophobicContact CD2-CG1 4.16Å; F85-V94 HydrophobicContact CD2-CG2 4.41Å; F85-V94 HydrophobicContact CE1-CB 4.29Å; F85-V94 HydrophobicContact CE1-CG1 3.64Å; F85-V94 HydrophobicContact CE1-CG2 3.85Å; F85-V94 HydrophobicContact CE2-CG1 3.5Å; F85-V94 VanDerWaalsContact CE2-CG1 3.5Å; F85-V94 HydrophobicContact CE2-CG2 4.49Å; F85-V94 HydrophobicContact CG-CG2 4.07Å; F85-V94 HydrophobicContact CZ-CB 4.3Å; F85-V94 HydrophobicContact CZ-CG1 3.2Å; F85-V94 HydrophobicContact CZ-CG2 4.23Å; F85-L99 WeakPolarHBondContact CA-O 3.34Å; F85-L100 HydrophobicContact CB-CD1 4.34Å; F85-L100 HydrophobicContact CD2-CB 4.1Å; F85-F115 HydrophobicContact CE2-CD1 4.39Å; F85-F115 AromaticContact CE2-CD2 3.8Å; F85-F115 HydrophobicContact CE2-CD2 3.8Å; F85-F115 HydrophobicContact CE2-CE1 4.32Å; F85-F115 AromaticContact CE2-CE2 3.75Å; F85-F115 HydrophobicContact CE2-CE2 3.75Å; F85-F115 HydrophobicContact CE2-CG 4.15Å; F85-F115 HydrophobicContact CE2-CZ 4.01Å; F85-F115 HydrophobicContact CZ-CD2 4.22Å
86E97.9Very high95.9Very high11 Ų1142.9 Ų42.95%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-122.9110.2177.4-63.9169.7109.300108.4V76 K84 G98 L99 V130 A133 Q134V76-E86 HydrophobicContact CB-CG 4.49Å; V76-E86 HydrophobicContact CG1-CG 3.92Å; V76-E86 HydrophobicContact CG2-CB 4.5Å; V76-E86 HydrophobicContact CG2-CG 3.99Å; K84-E86 HydrophobicContact CD-CG 4.05Å; K84-E86 VanDerWaalsContact CE-CD 3.48Å; K84-E86 WeakPolarHBondContact CE-OE2 3.23Å; K84-E86 HydrophobicContact CG-CG 4.13Å; K84-E86 IonicContact NZ-OE1 3.29Å; K84-E86 PolarHBondContact NZ-OE1 2.77Å; K84-E86 IonicContact NZ-OE2 3.65Å; K84-E86 PolarHBondContact NZ-OE2 2.86Å; E86-G98 CarbonylContact O-C 3.39Å; E86-G98 WeakPolarHBondContact O-CA 3.4Å; E86-L99 PolarHBondContact N-O 3.03Å; E86-L99 PolarHBondContact O-N 3.38Å; E86-V130 HydrophobicContact CB-CG1 4.12Å; E86-A133 HydrophobicContact CB-CB 4.37Å; E86-Q134 WeakPolarHBondContact OE1-CG 3.48Å; E86-Q134 PolarHBondContact OE1-NE2 3.03Å
87G97.9Very high95.9Very high0 Ų045.4 Ų45.40%025%0.246CC..EExtended strand (participates in β ladder)trans169.1-149.2-177.300000114.5G75 H97 A133G75-G87 PolarHBondContact N-O 2.99Å; G75-G87 PolarHBondContact O-N 2.83Å; G75-G87 VanDerWaalsContact O-N 3.13Å; G87-H97 CarbonylContact C-O 3.6Å; G87-H97 VanDerWaalsContact CA-O 3.25Å; G87-H97 WeakPolarHBondContact CA-O 3.43Å; G87-A133 VanDerWaalsContact N-CB 3.32Å
88E98.3Very high95.9Very high46 Ų4643.1 Ų43.122%0.21524%0.236CC..EExtended strand (participates in β ladder)trans-95.4139.7-174.3-66.9172.5165.700112.6G73 D95 G96 H97 A129 R132G73-E88 CarbonylContact O-C 3.53Å; G73-E88 WeakPolarHBondContact O-CA 3.23Å; E88-D95 CarbonylContact C-O 3.52Å; E88-D95 WeakPolarHBondContact CB-O 3.39Å; E88-D95 PolarHBondContact O-N 3.12Å; E88-D95 VanDerWaalsContact O-N 3.1Å; E88-G96 WeakPolarHBondContact OE2-CA 3.31Å; E88-H97 PolarHBondContact N-O 2.93Å; E88-H97 PolarHBondContact OE2-N 3.21Å; E88-H97 IonicContact OE2-ND1 2.87Å; E88-A129 HydrophobicContact CG-CB 4.35Å; E88-R132 IonicContact OE1-CZ 3.18Å; E88-R132 IonicContact OE1-NH2 3.69Å; E88-R132 PolarHBondContact OE1-NH2 3.47Å
89F98Very high95.8Very high9 Ų944 Ų444%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-125.3144.5178.3-68.9-98.3000110.7Y62 F71 Q72 G73 G75 F77 F85 C93 V94Y62-F89 HydrophobicContact CD2-CE1 4.46Å; Y62-F89 HydrophobicContact CD2-CE2 4.45Å; Y62-F89 HydrophobicContact CD2-CZ 4.21Å; Y62-F89 HydrophobicContact CE2-CD1 4.22Å; Y62-F89 AromaticContact CE2-CD2 3.79Å; Y62-F89 HydrophobicContact CE2-CD2 3.79Å; Y62-F89 HydrophobicContact CE2-CE1 4.11Å; Y62-F89 AromaticContact CE2-CE2 3.69Å; Y62-F89 HydrophobicContact CE2-CE2 3.69Å; Y62-F89 HydrophobicContact CE2-CG 4.05Å; Y62-F89 AromaticContact CE2-CZ 3.84Å; Y62-F89 HydrophobicContact CE2-CZ 3.84Å; F71-F89 HydrophobicContact CB-CB 3.98Å; F71-F89 HydrophobicContact CB-CD1 4.02Å; F71-F89 HydrophobicContact CB-CG 4.13Å; F71-F89 HydrophobicContact CD2-CD1 4.3Å; F71-F89 HydrophobicContact CD2-CE1 4.45Å; Q72-F89 CarbonylContact C-O 3.6Å; Q72-F89 WeakPolarHBondContact CA-O 3.33Å; G73-F89 PolarHBondContact N-O 3.3Å; G73-F89 PolarHBondContact O-N 3.07Å; G75-F89 WeakPolarHBondContact O-CE2 3.23Å; F77-F89 HydrophobicContact CB-CE1 4.44Å; F77-F89 HydrophobicContact CB-CZ 3.87Å; F85-F89 HydrophobicContact CD1-CE1 4.31Å; F85-F89 AromaticContact CD1-CE2 3.62Å; F85-F89 HydrophobicContact CD1-CE2 3.62Å; F85-F89 AromaticContact CD1-CZ 3.43Å; F85-F89 HydrophobicContact CD1-CZ 3.43Å; F85-F89 VanDerWaalsContact CD1-CZ 3.43Å; F85-F89 HydrophobicContact CE1-CD2 4.43Å; F85-F89 AromaticContact CE1-CE2 3.77Å; F85-F89 HydrophobicContact CE1-CE2 3.77Å; F85-F89 AromaticContact CE1-CZ 3.92Å; F85-F89 HydrophobicContact CE1-CZ 3.92Å; F85-F89 HydrophobicContact CG-CZ 4.49Å; F89-C93 CarbonylContact C-O 3.56Å; F89-C93 WeakPolarHBondContact CA-O 3.44Å; F89-V94 HydrophobicContact CD1-CG2 4.13Å; F89-V94 HydrophobicContact CE1-CG2 3.58Å; F89-V94 HydrophobicContact CZ-CG2 4.05Å
90K97.6Very high95.8Very high126 Ų12640.6 Ų40.655%0.54823%0.228SC..EExtended strand (participates in β ladder)trans-141.9122.7173.9-167.7178.3179.2-177.50110.2G92 C93 D95K90-G92 PolarHBondContact O-N 2.99Å; K90-C93 PolarHBondContact N-O 2.9Å; K90-C93 PolarHBondContact O-N 3.33Å; K90-C93 VanDerWaalsContact O-N 3.08Å; K90-D95 HydrophobicContact CB-CB 3.76Å
91G94.3Very high95.7Very high38 Ų3836.4 Ų36.439%0.39221%0.213SC..THydrogen-bonded Turntrans58.731177.700000114.2F71F71-G91 PolarHBondContact O-N 2.74Å
92G93.1Very high95.6Very high35 Ų3536.1 Ų36.136%0.36121%0.209SC..THydrogen-bonded Turntrans88.7-6.8-178.200000115.2F71 K90F71-G92 PolarHBondContact O-N 2.82Å; K90-G92 PolarHBondContact O-N 2.99Å
93C94.1Very high95.3Very high47 Ų4737.1 Ų37.132%0.31821%0.213SC..EExtended strand (participates in β ladder)trans-103152.3178.9-64.50000111.1F89 K90 D95F89-C93 CarbonylContact C-O 3.56Å; F89-C93 WeakPolarHBondContact CA-O 3.44Å; K90-C93 PolarHBondContact N-O 2.9Å; K90-C93 PolarHBondContact O-N 3.33Å; K90-C93 VanDerWaalsContact O-N 3.08Å; C93-D95 PolarHBondContact O-N 2.85Å
94V95Very high94.2Very high21 Ų2139.2 Ų39.213%0.12723%0.226CC..EExtended strand (participates in β ladder)trans-67.2114.1164.4170.70000108.2F85 F89 F115 T117 N118F85-V94 HydrophobicContact CD1-CG1 4.29Å; F85-V94 HydrophobicContact CD1-CG2 3.78Å; F85-V94 HydrophobicContact CD2-CG1 4.16Å; F85-V94 HydrophobicContact CD2-CG2 4.41Å; F85-V94 HydrophobicContact CE1-CB 4.29Å; F85-V94 HydrophobicContact CE1-CG1 3.64Å; F85-V94 HydrophobicContact CE1-CG2 3.85Å; F85-V94 HydrophobicContact CE2-CG1 3.5Å; F85-V94 VanDerWaalsContact CE2-CG1 3.5Å; F85-V94 HydrophobicContact CE2-CG2 4.49Å; F85-V94 HydrophobicContact CG-CG2 4.07Å; F85-V94 HydrophobicContact CZ-CB 4.3Å; F85-V94 HydrophobicContact CZ-CG1 3.2Å; F85-V94 HydrophobicContact CZ-CG2 4.23Å; F89-V94 HydrophobicContact CD1-CG2 4.13Å; F89-V94 HydrophobicContact CE1-CG2 3.58Å; F89-V94 HydrophobicContact CZ-CG2 4.05Å; V94-F115 HydrophobicContact CG1-CB 3.53Å; V94-F115 HydrophobicContact CG1-CD1 4.09Å; V94-F115 HydrophobicContact CG1-CD2 4.49Å; V94-F115 HydrophobicContact CG1-CG 3.81Å; V94-T117 PolarHBondContact O-N 3.3Å; V94-N118 PolarHBondContact N-OD1 2.87Å; V94-N118 PolarHBondContact O-N 3.35Å
95D96.3Very high92.5Very high53 Ų5339.7 Ų39.728%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-155.7110.8-172.8-170.1-4.4000109.2E88 K90 C93 F115E88-D95 CarbonylContact C-O 3.52Å; E88-D95 WeakPolarHBondContact CB-O 3.39Å; E88-D95 PolarHBondContact O-N 3.12Å; E88-D95 VanDerWaalsContact O-N 3.1Å; K90-D95 HydrophobicContact CB-CB 3.76Å; C93-D95 PolarHBondContact O-N 2.85Å; D95-F115 WeakPolarHBondContact CA-O 3.21Å
96G96.1Very high90.4Very high8 Ų841.7 Ų41.78%0.08227%0.272CS..EExtended strand (participates in β ladder)trans118.2-161.2-17100000112.6E88 F115E88-G96 WeakPolarHBondContact OE2-CA 3.31Å; G96-F115 PolarHBondContact N-O 2.95Å; G96-F115 PolarHBondContact O-N 2.83Å
97H97.9Very high88.3Confident60 Ų6052.5 Ų52.528%0.27831%0.312SS..EExtended strand (participates in β ladder)trans-83144.6-174.2-64.780.5000111.6G87 E88 G113 E124 A129G87-H97 CarbonylContact C-O 3.6Å; G87-H97 VanDerWaalsContact CA-O 3.25Å; G87-H97 WeakPolarHBondContact CA-O 3.43Å; E88-H97 PolarHBondContact N-O 2.93Å; E88-H97 PolarHBondContact OE2-N 3.21Å; E88-H97 IonicContact OE2-ND1 2.87Å; H97-G113 WeakPolarHBondContact CA-O 3.36Å; H97-E124 IonicContact CD2-OE1 3.71Å; H97-E124 IonicContact NE2-OE1 3.86Å; H97-E124 PolarHBondContact NE2-OE1 3.1Å; H97-A129 HydrophobicContact CB-CB 3.58Å; H97-A129 WeakPolarHBondContact O-CB 3.46Å
98G97.4Very high86.3Confident0 Ų054.4 Ų54.40%033%0.332CS..EExtended strand (participates in β ladder)trans-176.3-176.8176.100000115.4E86 E112 G113E86-G98 CarbonylContact O-C 3.39Å; E86-G98 WeakPolarHBondContact O-CA 3.4Å; G98-E112 WeakPolarHBondContact O-CA 3.49Å; G98-G113 PolarHBondContact N-O 3.26Å; G98-G113 PolarHBondContact O-N 2.94Å
99L96.4Very high85.1Confident34 Ų3453.7 Ų53.718%0.17834%0.337CS..EExtended strand (participates in β ladder)trans-127.6119.1178177.767.4000109.4F85 E86 E112 V130F85-L99 WeakPolarHBondContact CA-O 3.34Å; E86-L99 PolarHBondContact N-O 3.03Å; E86-L99 PolarHBondContact O-N 3.38Å; L99-E112 HydrophobicContact CD1-CB 3.83Å; L99-E112 HydrophobicContact CD1-CG 4.15Å; L99-V130 HydrophobicContact CB-CG2 3.58Å
100L95.3Very high84.6Confident19 Ų1956.8 Ų56.810%0.09936%0.359CS..EExtended strand (participates in β ladder)trans-98123.6169.4175.562.4000110M83 K84 F85 F102 S110 H111 F115M83-L100 HydrophobicContact CE-CD1 3.22Å; M83-L100 HydrophobicContact CE-CD2 4.03Å; M83-L100 HydrophobicContact CE-CG 4.24Å; M83-L100 HydrophobicContact CG-CD1 3.71Å; M83-L100 HydrophobicContact SD-CD1 4.2Å; K84-L100 CarbonylContact O-C 3.47Å; F85-L100 HydrophobicContact CB-CD1 4.34Å; F85-L100 HydrophobicContact CD2-CB 4.1Å; L100-F102 HydrophobicContact CD2-CE1 3.87Å; L100-F102 HydrophobicContact CD2-CZ 3.73Å; L100-F102 HydrophobicContact CG-CE1 4.29Å; L100-F102 HydrophobicContact CG-CZ 4.27Å; L100-S110 CarbonylContact O-C 3.49Å; L100-S110 WeakPolarHBondContact O-CA 3.4Å; L100-S110 WeakPolarHBondContact O-CB 3.27Å; L100-H111 HydrophobicContact CB-CB 4.16Å; L100-H111 PolarHBondContact N-O 3.22Å; L100-H111 PolarHBondContact O-N 2.92Å; L100-F115 HydrophobicContact CB-CE1 4.42Å; L100-F115 HydrophobicContact CB-CZ 4.03Å
101T93.8Very high84.3Confident43 Ų4353.1 Ų53.126%0.26434%0.344SS..EExtended strand (participates in β ladder)trans-115127.6175.6-52.30000109.2M83 K84M83-T101 CarbonylContact C-O 3.57Å; M83-T101 WeakPolarHBondContact CA-O 2.92Å; K84-T101 PolarHBondContact N-O 2.77Å; K84-T101 PolarHBondContact O-N 2.81Å
102F90.8Very high84.4Confident59 Ų5954.6 Ų54.626%0.25934%0.341SS..  trans-84.9158.4174-59.2-71.7000111.8M83 L100 D104 G105 G109 H111M83-F102 HydrophobicContact CG-CD1 4.41Å; L100-F102 HydrophobicContact CD2-CE1 3.87Å; L100-F102 HydrophobicContact CD2-CZ 3.73Å; L100-F102 HydrophobicContact CG-CE1 4.29Å; L100-F102 HydrophobicContact CG-CZ 4.27Å; F102-D104 PolarHBondContact O-N 2.84Å; F102-D104 VanDerWaalsContact O-N 3.15Å; F102-G105 PolarHBondContact O-N 2.88Å; F102-G109 VanDerWaalsContact CD2-O 3.23Å; F102-G109 WeakPolarHBondContact CD2-O 3.44Å; F102-H111 AromaticContact CE2-CE1 3.5Å; F102-H111 AromaticContact CE2-ND1 3.31Å; F102-H111 VanDerWaalsContact CE2-ND1 3.31Å; F102-H111 WeakPolarHBondContact CE2-ND1 3.45Å; F102-H111 AromaticContact CZ-CE1 3.78Å; F102-H111 AromaticContact CZ-ND1 3.51Å
103A83.6Confident84.5Confident57 Ų5753 Ų5347%0.47132%0.324SS..THydrogen-bonded Turntrans-57.1-27.1-175.500000115.3D81 G105D81-A103 WeakPolarHBondContact O-CB 3.21Å; A103-G105 PolarHBondContact O-N 3.05Å
104D72.2Confident84.6Confident85 Ų8551.8 Ų51.846%0.45531%0.314SS..THydrogen-bonded Turntrans-82.414.2-172.768.9-2.7000114.3F102 G106 G108F102-D104 PolarHBondContact O-N 2.84Å; F102-D104 VanDerWaalsContact O-N 3.15Å; D104-G106 PolarHBondContact O-N 2.93Å; D104-G108 VanDerWaalsContact CG-N 3.34Å; D104-G108 PolarHBondContact OD1-N 3.45Å; D104-G108 VanDerWaalsContact OD1-N 3.09Å; D104-G108 PolarHBondContact OD2-N 3.43Å
105G58.8Low84.7Confident75 Ų7551.2 Ų51.277%0.77331%0.31SS*.THydrogen-bonded Turntrans65.123.4169.500000114.6F102 A103F102-G105 PolarHBondContact O-N 2.88Å; A103-G105 PolarHBondContact O-N 3.05Å
106G53.3Low84.6Confident50 Ų5052.8 Ų52.852%0.51532%0.316SS..THydrogen-bonded Turntrans114.56.6170.900000116D104D104-G106 PolarHBondContact O-N 2.93Å
107R55.2Low84.5Confident238 Ų23856.7 Ų56.790%0.89834%0.338SS*.SBendtrans-79.9-30.4168.8-69.3-172.3-179.5-153.71.1112.3G109R107-G109 VanDerWaalsContact C-N 3.31Å
108G55.9Low84.1Confident40 Ų4058.5 Ų58.541%0.41235%0.35SS..SBendtrans-82.4-4167.900000114.6D104D104-G108 VanDerWaalsContact CG-N 3.34Å; D104-G108 PolarHBondContact OD1-N 3.45Å; D104-G108 VanDerWaalsContact OD1-N 3.09Å; D104-G108 PolarHBondContact OD2-N 3.43Å
109G72.4Confident83.9Confident31 Ų3163.9 Ų63.932%0.3238%0.375SS..  trans77.3178.6-17700000114F102 R107F102-G109 VanDerWaalsContact CD2-O 3.23Å; F102-G109 WeakPolarHBondContact CD2-O 3.44Å; R107-G109 VanDerWaalsContact C-N 3.31Å
110S86.3Confident83.7Confident73 Ų7364.8 Ų64.851%0.5138%0.379SS..EExtended strand (participates in β ladder)trans-117.1144.3167.257.30000109.1L100L100-S110 CarbonylContact O-C 3.49Å; L100-S110 WeakPolarHBondContact O-CA 3.4Å; L100-S110 WeakPolarHBondContact O-CB 3.27Å
111H92Very high83.8Confident50 Ų5068.3 Ų68.323%0.23139%0.394CS..EExtended strand (participates in β ladder)trans-107109.2173.3-66.4105000108.9L100 F102 F115 L120L100-H111 HydrophobicContact CB-CB 4.16Å; L100-H111 PolarHBondContact N-O 3.22Å; L100-H111 PolarHBondContact O-N 2.92Å; F102-H111 AromaticContact CE2-CE1 3.5Å; F102-H111 AromaticContact CE2-ND1 3.31Å; F102-H111 VanDerWaalsContact CE2-ND1 3.31Å; F102-H111 WeakPolarHBondContact CE2-ND1 3.45Å; F102-H111 AromaticContact CZ-CE1 3.78Å; F102-H111 AromaticContact CZ-ND1 3.51Å; H111-F115 HydrophobicContact CB-CZ 4.1Å; H111-F115 WeakPolarHBondContact O-CZ 3.41Å; H111-L120 HydrophobicContact CB-CD2 3.94Å
112E95.6Very high83.8Confident69 Ų6972.9 Ų72.932%0.32241%0.406SS..EExtended strand (participates in β ladder)trans-109.1135.5175.5-164.8-176.9173.900109.7G98 L99 R123 E124 S126G98-E112 WeakPolarHBondContact O-CA 3.49Å; L99-E112 HydrophobicContact CD1-CB 3.83Å; L99-E112 HydrophobicContact CD1-CG 4.15Å; E112-R123 WeakPolarHBondContact O-CA 3.32Å; E112-E124 PolarHBondContact O-N 3.48Å; E112-S126 PolarHBondContact OE1-N 2.81Å
113G95.8Very high83.9Confident0 Ų079.2 Ų79.20%043%0.429CS..EExtended strand (participates in β ladder)trans148.7-157.4173.700000114.4H97 G98 F115 R122 E124 S126H97-G113 WeakPolarHBondContact CA-O 3.36Å; G98-G113 PolarHBondContact N-O 3.26Å; G98-G113 PolarHBondContact O-N 2.94Å; G113-F115 VanDerWaalsContact O-CD2 3.24Å; G113-F115 WeakPolarHBondContact O-CD2 2.91Å; G113-F115 WeakPolarHBondContact O-CE2 3.38Å; G113-R122 CarbonylContact C-O 3.57Å; G113-R122 VanDerWaalsContact CA-O 3.25Å; G113-R122 WeakPolarHBondContact CA-O 3.41Å; G113-E124 VanDerWaalsContact CA-O 3.26Å; G113-E124 WeakPolarHBondContact CA-O 3.41Å; G113-E124 PolarHBondContact N-O 2.74Å; G113-S126 VanDerWaalsContact CA-OG 3.3Å; G113-S126 WeakPolarHBondContact CA-OG 3.16Å; G113-S126 PolarHBondContact N-OG 3.08Å; G113-S126 PolarHBondContact O-OG 3.35Å
114L96.9Very high84.4Confident22 Ų2279.7 Ų79.712%0.11542%0.421CS..EExtended strand (participates in β ladder)trans-83.2122.5177.817867.8000110.1K121 R122 E124L114-K121 PolarHBondContact O-N 2.99Å; L114-R122 HydrophobicContact CB-CB 4.47Å; L114-R122 PolarHBondContact N-O 3.5Å; L114-R122 PolarHBondContact O-N 3.35Å; L114-E124 VanDerWaalsContact CB-OE1 3.28Å; L114-E124 WeakPolarHBondContact CB-OE1 3.44Å
115F96Very high85.4Confident9 Ų980.4 Ų80.44%0.03943%0.433CS..EExtended strand (participates in β ladder)trans-106140.7172-64.4-103.7000110.1F85 V94 D95 G96 L100 H111 G113 Q119 L120F85-F115 HydrophobicContact CE2-CD1 4.39Å; F85-F115 AromaticContact CE2-CD2 3.8Å; F85-F115 HydrophobicContact CE2-CD2 3.8Å; F85-F115 HydrophobicContact CE2-CE1 4.32Å; F85-F115 AromaticContact CE2-CE2 3.75Å; F85-F115 HydrophobicContact CE2-CE2 3.75Å; F85-F115 HydrophobicContact CE2-CG 4.15Å; F85-F115 HydrophobicContact CE2-CZ 4.01Å; F85-F115 HydrophobicContact CZ-CD2 4.22Å; V94-F115 HydrophobicContact CG1-CB 3.53Å; V94-F115 HydrophobicContact CG1-CD1 4.09Å; V94-F115 HydrophobicContact CG1-CD2 4.49Å; V94-F115 HydrophobicContact CG1-CG 3.81Å; D95-F115 WeakPolarHBondContact CA-O 3.21Å; G96-F115 PolarHBondContact N-O 2.95Å; G96-F115 PolarHBondContact O-N 2.83Å; L100-F115 HydrophobicContact CB-CE1 4.42Å; L100-F115 HydrophobicContact CB-CZ 4.03Å; H111-F115 HydrophobicContact CB-CZ 4.1Å; H111-F115 WeakPolarHBondContact O-CZ 3.41Å; G113-F115 VanDerWaalsContact O-CD2 3.24Å; G113-F115 WeakPolarHBondContact O-CD2 2.91Å; G113-F115 WeakPolarHBondContact O-CE2 3.38Å; F115-Q119 CarbonylContact C-O 3.51Å; F115-Q119 WeakPolarHBondContact CA-O 3.48Å; F115-L120 HydrophobicContact CD1-CB 4.1Å; F115-L120 HydrophobicContact CD1-CD1 4.46Å; F115-L120 HydrophobicContact CD2-CD1 4.18Å; F115-L120 HydrophobicContact CE1-CB 3.83Å; F115-L120 HydrophobicContact CE1-CD1 4.07Å; F115-L120 HydrophobicContact CE2-CD1 3.74Å; F115-L120 HydrophobicContact CZ-CB 4.29Å; F115-L120 HydrophobicContact CZ-CD1 3.69Å
116E95.6Very high87.1Confident87 Ų8777 Ų7741%0.40740%0.397SS..EExtended strand (participates in β ladder)trans-133.1130.6169.8-65.5174.7-178.500107.7N118 Q119 K121E116-N118 VanDerWaalsContact C-N 3.3Å; E116-N118 PolarHBondContact O-N 2.86Å; E116-Q119 PolarHBondContact N-O 3.13Å; E116-Q119 PolarHBondContact O-N 2.81Å; E116-K121 HydrophobicContact CB-CD 4.43Å; E116-K121 HydrophobicContact CB-CG 3.74Å; E116-K121 HydrophobicContact CG-CG 3.81Å
117T92.7Very high89Confident89 Ų8980 Ų8055%0.54640%0.398SS..THydrogen-bonded Turntrans51.946.4178.859.20000113.1V94 Q119V94-T117 PolarHBondContact O-N 3.3Å; T117-Q119 VanDerWaalsContact C-N 3.26Å; T117-Q119 PolarHBondContact O-N 2.9Å
118N90.6Very high91Very high99 Ų9971.2 Ų71.253%0.52938%0.375SS..THydrogen-bonded Turntrans67.414.2-178.9-46-48.8000115.7V94 E116V94-N118 PolarHBondContact N-OD1 2.87Å; V94-N118 PolarHBondContact O-N 3.35Å; E116-N118 VanDerWaalsContact C-N 3.3Å; E116-N118 PolarHBondContact O-N 2.86Å
119Q92.1Very high92.9Very high113 Ų11369.5 Ų69.553%0.52836%0.357SS..EExtended strand (participates in β ladder)trans-122.3134.8179.2-63.5-178.9-3.900111.5F115 E116 T117 K121F115-Q119 CarbonylContact C-O 3.51Å; F115-Q119 WeakPolarHBondContact CA-O 3.48Å; E116-Q119 PolarHBondContact N-O 3.13Å; E116-Q119 PolarHBondContact O-N 2.81Å; T117-Q119 VanDerWaalsContact C-N 3.26Å; T117-Q119 PolarHBondContact O-N 2.9Å; Q119-K121 PolarHBondContact O-N 3.08Å; Q119-K121 VanDerWaalsContact OE1-NZ 3.16Å
120L93.6Very high94.1Very high52 Ų5268.7 Ų68.727%0.27235%0.346SS..EExtended strand (participates in β ladder)trans-66117.2171.2-176.571.3000109.6H111 F115 R122 R123H111-L120 HydrophobicContact CB-CD2 3.94Å; F115-L120 HydrophobicContact CD1-CB 4.1Å; F115-L120 HydrophobicContact CD1-CD1 4.46Å; F115-L120 HydrophobicContact CD2-CD1 4.18Å; F115-L120 HydrophobicContact CE1-CB 3.83Å; F115-L120 HydrophobicContact CE1-CD1 4.07Å; F115-L120 HydrophobicContact CE2-CD1 3.74Å; F115-L120 HydrophobicContact CZ-CB 4.29Å; F115-L120 HydrophobicContact CZ-CD1 3.69Å; L120-R122 WeakPolarHBondContact CD1-O 3.41Å; L120-R123 HydrophobicContact CD2-CG 3.83Å
121K95.8Very high94.6Very high94 Ų9470.1 Ų70.141%0.40935%0.345SS..EExtended strand (participates in β ladder)trans-94.4-41.2177.3-63.2-56-172.1-173.60112.2L114 E116 Q119L114-K121 PolarHBondContact O-N 2.99Å; E116-K121 HydrophobicContact CB-CD 4.43Å; E116-K121 HydrophobicContact CB-CG 3.74Å; E116-K121 HydrophobicContact CG-CG 3.81Å; Q119-K121 PolarHBondContact O-N 3.08Å; Q119-K121 VanDerWaalsContact OE1-NZ 3.16Å
122R94.2Very high94.9Very high138 Ų13873.6 Ų73.652%0.52136%0.356SS..EExtended strand (participates in β ladder)trans-142.4142.5-178.9-61.6-174.1-53.7-1688.8110G113 L114 L120 E124G113-R122 CarbonylContact C-O 3.57Å; G113-R122 VanDerWaalsContact CA-O 3.25Å; G113-R122 WeakPolarHBondContact CA-O 3.41Å; L114-R122 HydrophobicContact CB-CB 4.47Å; L114-R122 PolarHBondContact N-O 3.5Å; L114-R122 PolarHBondContact O-N 3.35Å; L120-R122 WeakPolarHBondContact CD1-O 3.41Å; R122-E124 IonicContact CZ-OE1 2.9Å; R122-E124 IonicContact NE-OE1 3.32Å; R122-E124 IonicContact NH2-OE1 3.57Å; R122-E124 PolarHBondContact NH2-OE1 2.78Å; R122-E124 IonicContact NH2-OE2 3.58Å
123R94.1Very high95Very high193 Ų19370.3 Ų70.373%0.72834%0.341SS*.  trans-88.8116.5171.9-68.6-178.2178.9-170.2-2.8109E112 L120E112-R123 WeakPolarHBondContact O-CA 3.32Å; L120-R123 HydrophobicContact CD2-CG 3.83Å
124E93.6Very high95.1Very high66 Ų6674.5 Ų74.531%0.30836%0.36SS..  trans-154.5158.8179.360.9-165.216200111.1H97 E112 G113 L114 R122 S126H97-E124 IonicContact CD2-OE1 3.71Å; H97-E124 IonicContact NE2-OE1 3.86Å; H97-E124 PolarHBondContact NE2-OE1 3.1Å; E112-E124 PolarHBondContact O-N 3.48Å; G113-E124 VanDerWaalsContact CA-O 3.26Å; G113-E124 WeakPolarHBondContact CA-O 3.41Å; G113-E124 PolarHBondContact N-O 2.74Å; L114-E124 VanDerWaalsContact CB-OE1 3.28Å; L114-E124 WeakPolarHBondContact CB-OE1 3.44Å; R122-E124 IonicContact CZ-OE1 2.9Å; R122-E124 IonicContact NE-OE1 3.32Å; R122-E124 IonicContact NH2-OE1 3.57Å; R122-E124 PolarHBondContact NH2-OE1 2.78Å; R122-E124 IonicContact NH2-OE2 3.58Å; E124-S126 PolarHBondContact O-N 2.8Å; E124-S126 PolarHBondContact O-OG 2.88Å
125S92.8Very high95.1Very high100 Ų10076.4 Ų76.470%0.69938%0.379SS*.  trans-62.5122.1178.6179.80000109.9
126S94.6Very high95.2Very high4 Ų476.3 Ų76.33%0.02838%0.38CS..  trans-116.318.7-178.1-610000111.3E112 G113 E124 A128 A129 V130E112-S126 PolarHBondContact OE1-N 2.81Å; G113-S126 VanDerWaalsContact CA-OG 3.3Å; G113-S126 WeakPolarHBondContact CA-OG 3.16Å; G113-S126 PolarHBondContact N-OG 3.08Å; G113-S126 PolarHBondContact O-OG 3.35Å; E124-S126 PolarHBondContact O-N 2.8Å; E124-S126 PolarHBondContact O-OG 2.88Å; S126-A128 VanDerWaalsContact C-N 3.3Å; S126-A128 PolarHBondContact O-N 3.3Å; S126-A128 VanDerWaalsContact O-N 3.17Å; S126-A129 WeakPolarHBondContact O-CB 3.25Å; S126-A129 PolarHBondContact O-N 2.99Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.43Å
127H94.3Very high95.3Very high114 Ų11472.4 Ų72.453%0.52836%0.362SS..Hα-helixtrans-49.7-45.9-174.1-170.376.1000113.6A129 V130 Q131H127-A129 PolarHBondContact O-N 3.32Å; H127-V130 PolarHBondContact O-N 3.05Å; H127-Q131 PolarHBondContact NE2-NE2 2.83Å; H127-Q131 WeakPolarHBondContact O-CG 3.24Å; H127-Q131 PolarHBondContact O-N 3.39Å
128A95.6Very high95.6Very high52 Ų5270.6 Ų70.643%0.4336%0.356SS..Hα-helixtrans-65.9-37.1179.600000112.8S126 R132S126-A128 VanDerWaalsContact C-N 3.3Å; S126-A128 PolarHBondContact O-N 3.3Å; S126-A128 VanDerWaalsContact O-N 3.17Å; A128-R132 WeakPolarHBondContact O-CG 3.38Å; A128-R132 PolarHBondContact O-N 2.96Å; A128-R132 VanDerWaalsContact O-N 3.09Å
129A96.3Very high95.9Very high4 Ų471.7 Ų71.73%0.03336%0.357CS..Hα-helixtrans-70.3-40.6177.300000111.3E88 H97 S126 H127 R132 A133E88-A129 HydrophobicContact CG-CB 4.35Å; H97-A129 HydrophobicContact CB-CB 3.58Å; H97-A129 WeakPolarHBondContact O-CB 3.46Å; S126-A129 WeakPolarHBondContact O-CB 3.25Å; S126-A129 PolarHBondContact O-N 2.99Å; H127-A129 PolarHBondContact O-N 3.32Å; A129-R132 PolarHBondContact O-N 3.26Å; A129-A133 WeakPolarHBondContact O-CB 3.21Å; A129-A133 PolarHBondContact O-N 3.25Å
130V97.1Very high96.1Very high14 Ų1466.3 Ų66.39%0.08533%0.331CS..Hα-helixtrans-61.9-44.4174.9176.90000111.1E86 L99 S126 H127 R132 A133 Q134E86-V130 HydrophobicContact CB-CG1 4.12Å; L99-V130 HydrophobicContact CB-CG2 3.58Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.43Å; H127-V130 PolarHBondContact O-N 3.05Å; V130-R132 PolarHBondContact O-N 2.87Å; V130-A133 WeakPolarHBondContact O-CB 3.39Å; V130-A133 PolarHBondContact O-N 3.08Å; V130-Q134 HydrophobicContact CG1-CG 4.48Å; V130-Q134 WeakPolarHBondContact O-CG 3.39Å; V130-Q134 PolarHBondContact O-N 3.09Å
131Q97.8Very high96.2Very high104 Ų10470 Ų7049%0.48634%0.341SS..Hα-helixtrans-61.1-43.3175.7-75.8-178.7-27.400112.3H127 Q134 A135H127-Q131 PolarHBondContact NE2-NE2 2.83Å; H127-Q131 WeakPolarHBondContact O-CG 3.24Å; H127-Q131 PolarHBondContact O-N 3.39Å; Q131-Q134 PolarHBondContact O-N 3.29Å; Q131-A135 WeakPolarHBondContact O-CB 3.47Å; Q131-A135 PolarHBondContact O-N 2.98Å
132R97.8Very high96.2Very high122 Ų12268.5 Ų68.546%0.4635%0.347SS..Hα-helixtrans-61.5-44.2174.9-74.6-167.8-60.9-92.97.1111.6A74 E88 A128 A129 V130 A135 A136A74-R132 HydrophobicContact CB-CB 4Å; E88-R132 IonicContact OE1-CZ 3.18Å; E88-R132 IonicContact OE1-NH2 3.69Å; E88-R132 PolarHBondContact OE1-NH2 3.47Å; A128-R132 WeakPolarHBondContact O-CG 3.38Å; A128-R132 PolarHBondContact O-N 2.96Å; A128-R132 VanDerWaalsContact O-N 3.09Å; A129-R132 PolarHBondContact O-N 3.26Å; V130-R132 PolarHBondContact O-N 2.87Å; R132-A135 PolarHBondContact O-N 2.89Å; R132-A136 WeakPolarHBondContact O-CB 3.43Å; R132-A136 PolarHBondContact O-N 3.48Å
133A97.9Very high95.9Very high0 Ų064.4 Ų64.40%034%0.335CS..Hα-helixtrans-60.2-46.2177.300000112.2G75 V76 E86 G87 A129 V130 A135 A136 S137G75-A133 VanDerWaalsContact O-CB 3.27Å; G75-A133 WeakPolarHBondContact O-CB 3.34Å; V76-A133 HydrophobicContact CG2-CB 4.25Å; E86-A133 HydrophobicContact CB-CB 4.37Å; G87-A133 VanDerWaalsContact N-CB 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.21Å; A129-A133 PolarHBondContact O-N 3.25Å; V130-A133 WeakPolarHBondContact O-CB 3.39Å; V130-A133 PolarHBondContact O-N 3.08Å; A133-A135 PolarHBondContact O-N 3.31Å; A133-A136 PolarHBondContact O-N 2.97Å; A133-S137 PolarHBondContact O-N 2.99Å
134Q97.9Very high95.3Very high88 Ų8857.3 Ų57.341%0.41132%0.318SS..Hα-helixtrans-63.4-40.4176.8-71.5173.7-9.700112.1E86 V130 Q131 S137 A138E86-Q134 WeakPolarHBondContact OE1-CG 3.48Å; E86-Q134 PolarHBondContact OE1-NE2 3.03Å; V130-Q134 HydrophobicContact CG1-CG 4.48Å; V130-Q134 WeakPolarHBondContact O-CG 3.39Å; V130-Q134 PolarHBondContact O-N 3.09Å; Q131-Q134 PolarHBondContact O-N 3.29Å; Q134-S137 PolarHBondContact O-N 2.99Å; Q134-A138 WeakPolarHBondContact O-CB 3.3Å; Q134-A138 PolarHBondContact O-N 2.83Å
135A97.8Very high94.1Very high63 Ų6364 Ų6452%0.52135%0.354SS..Hα-helixtrans-64.7-41.7174.500000112.1Q131 R132 A133 A138 K139Q131-A135 WeakPolarHBondContact O-CB 3.47Å; Q131-A135 PolarHBondContact O-N 2.98Å; R132-A135 PolarHBondContact O-N 2.89Å; A133-A135 PolarHBondContact O-N 3.31Å; A135-A138 PolarHBondContact O-N 3.23Å; A135-K139 WeakPolarHBondContact O-CB 3.49Å; A135-K139 PolarHBondContact O-N 2.9Å
136A97.4Very high94.2Very high6 Ų662.2 Ų62.25%0.0534%0.337CS..Hα-helixtrans-63.4-43.5175.400000111.8A74 R132 A133 K139 A140A74-A136 HydrophobicContact CB-CB 4.05Å; A74-A136 VanDerWaalsContact O-CB 3.32Å; A74-A136 WeakPolarHBondContact O-CB 3.49Å; R132-A136 WeakPolarHBondContact O-CB 3.43Å; R132-A136 PolarHBondContact O-N 3.48Å; A133-A136 PolarHBondContact O-N 2.97Å; A136-K139 PolarHBondContact O-N 3.35Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 2.82Å
137S98Very high94.2Very high5 Ų565.2 Ų65.24%0.03535%0.353CS..Hα-helixtrans-60.2-44.9172.9150.40000112.1E63 A133 Q134 K139 A140 R141E63-S137 PolarHBondContact OE2-OG 2.82Å; A133-S137 PolarHBondContact O-N 2.99Å; Q134-S137 PolarHBondContact O-N 2.99Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 2.92Å; S137-A140 PolarHBondContact O-N 2.97Å; S137-R141 WeakPolarHBondContact O-CG 3.25Å; S137-R141 PolarHBondContact O-N 3.17Å; S137-R141 PolarHBondContact O-NE 3.3Å; S137-R141 PolarHBondContact OG-NE 3.34Å; S137-R141 PolarHBondContact OG-NH2 3.21Å; S137-R141 VanDerWaalsContact OG-NH2 3.15Å
138A97.6Very high94.2Very high51 Ų5162.5 Ų62.542%0.42134%0.344SS..Hα-helixtrans-62.1-43.517800000111.5Q134 A135 R141 A142Q134-A138 WeakPolarHBondContact O-CB 3.3Å; Q134-A138 PolarHBondContact O-N 2.83Å; A135-A138 PolarHBondContact O-N 3.23Å; A138-R141 PolarHBondContact O-N 2.8Å; A138-A142 WeakPolarHBondContact O-CB 3.26Å; A138-A142 PolarHBondContact O-N 2.77Å
139K97.1Very high94.1Very high123 Ų12363.1 Ų63.154%0.53534%0.339SS..Hα-helixtrans-64-43.4175.5-175.7178.2174.3-168.60112C51 A135 A136 S137 A142 L143C51-K139 HydrophobicContact CB-CG 4.47Å; A135-K139 WeakPolarHBondContact O-CB 3.49Å; A135-K139 PolarHBondContact O-N 2.9Å; A136-K139 PolarHBondContact O-N 3.35Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 2.92Å; K139-A142 PolarHBondContact O-N 3.44Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 2.71Å
140A96.9Very high94Very high0 Ų066.8 Ų66.80%036%0.358CS..Hα-helixtrans-59.6-47.3176.500000111.7C51 G52 V53 E63 A136 S137 A142 L143 A144C51-A140 HydrophobicContact CB-CB 4.48Å; G52-A140 VanDerWaalsContact O-CB 3.26Å; G52-A140 WeakPolarHBondContact O-CB 3.44Å; V53-A140 HydrophobicContact CG2-CB 3.98Å; E63-A140 HydrophobicContact CB-CB 4.46Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 2.82Å; S137-A140 PolarHBondContact O-N 2.97Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 2.95Å; A140-L143 PolarHBondContact O-N 2.94Å; A140-L143 VanDerWaalsContact O-N 3.16Å; A140-A144 PolarHBondContact O-N 2.9Å
141R95.9Very high93.8Very high128 Ų12870.3 Ų70.348%0.48338%0.376SS..Hα-helixtrans-62.4-38.1176.1-75.8-177.9-73.2173.7-6.8112.9V53 E63 S137 A138 L143 A144 L145V53-R141 HydrophobicContact CG2-CG 4.23Å; E63-R141 HydrophobicContact CG-CG 4.46Å; E63-R141 WeakPolarHBondContact OE2-CD 3.28Å; E63-R141 WeakPolarHBondContact OE2-CG 3.48Å; E63-R141 IonicContact OE2-CZ 2.74Å; E63-R141 IonicContact OE2-NE 2.66Å; E63-R141 PolarHBondContact OE2-NE 3.25Å; S137-R141 WeakPolarHBondContact O-CG 3.25Å; S137-R141 PolarHBondContact O-N 3.17Å; S137-R141 PolarHBondContact O-NE 3.3Å; S137-R141 PolarHBondContact OG-NE 3.34Å; S137-R141 PolarHBondContact OG-NH2 3.21Å; S137-R141 VanDerWaalsContact OG-NH2 3.15Å; A138-R141 PolarHBondContact O-N 2.8Å; R141-L143 PolarHBondContact O-N 3.47Å; R141-A144 PolarHBondContact O-N 3.39Å; R141-L145 PolarHBondContact O-N 3.32Å
142A94.9Very high93.5Very high64 Ų6467.9 Ų67.953%0.52937%0.368SS..Hα-helixtrans-63.8-25.2176.900000113.4A138 K139 A140A138-A142 WeakPolarHBondContact O-CB 3.26Å; A138-A142 PolarHBondContact O-N 2.77Å; K139-A142 PolarHBondContact O-N 3.44Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 2.95Å
143L88.9Confident93.1Very high52 Ų5263.8 Ų63.827%0.27236%0.361SS..Hα-helixtrans-83.4-14173.7-64.7175.1000113.4L28 Q42 C51 K139 A140 R141L28-L143 HydrophobicContact CD1-CD2 4.45Å; L28-L143 HydrophobicContact CD2-CB 4.41Å; L28-L143 HydrophobicContact CD2-CD1 4.32Å; L28-L143 HydrophobicContact CD2-CD2 4Å; L28-L143 HydrophobicContact CD2-CG 4.48Å; Q42-L143 HydrophobicContact CG-CD1 4.24Å; Q42-L143 VanDerWaalsContact NE2-CD1 3.3Å; C51-L143 HydrophobicContact CB-CD1 3.8Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 2.71Å; A140-L143 PolarHBondContact O-N 2.94Å; A140-L143 VanDerWaalsContact O-N 3.16Å; R141-L143 PolarHBondContact O-N 3.47Å
144A81.4Confident92.7Very high43 Ų4369.1 Ų69.136%0.35539%0.391SS..  trans-99.2-0.8-178.400000113.8T40 V53 A140 R141T40-A144 HydrophobicContact CG2-CB 3.69Å; V53-A144 HydrophobicContact CB-CB 4.46Å; V53-A144 HydrophobicContact CG2-CB 4.06Å; A140-A144 PolarHBondContact O-N 2.9Å; R141-A144 PolarHBondContact O-N 3.39Å
145L69.1Low92.3Very high206 Ų20667.4 Ų67.4100%1.07939%0.389SS*.  trans-93.90173.3-68.9169.8000110.7R141R141-L145 PolarHBondContact O-N 3.32Å

Retrieved 145 of 145 residues in 187.8 ms (Link to these results)

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