A0A093K5S7_STRCA Loading...

E3 ubiquitin-protein ligase Midline-1

Has E3 ubiquitin ligase activity towards IGBP1, promoting its monoubiquitination, which results in deprotection of the catalytic subunit of protein phosphatase PP2A, and its subsequent degradation by polyubiquitination.

AlphaFold DB , UniProt , Accession A0A093K5S7, Species STRCA (Struthio camelus australis), Gene n/a, Length 667 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
1M47.8Very low73.6Confident192 Ų19290 Ų9095%0.94648%0.475SS*.  0-36.50-146.8173-82.500110.4T3 L4M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.11Å; M1-L4 PolarHBondContact O-N 3.47Å
2E47Very low74.9Confident175 Ų17588.3 Ų88.382%0.81847%0.466SS*.Hα-helixtrans-57.7-28.5175.7-67.4174163.600115.7
3T57.8Low76.1Confident109 Ų10985.5 Ų85.567%0.66946%0.456SS*.Hα-helixtrans-71.1-37.9-179.654.30000113.2M1 S6M1-T3 VanDerWaalsContact C-N 3.3Å; M1-T3 PolarHBondContact O-N 3.11Å; T3-S6 PolarHBondContact O-OG 3.21Å
4L68.4Low76.9Confident91 Ų9188.8 Ų88.848%0.47647%0.473SS..Hα-helixtrans-77.5-33.3-176-159.580.1000112.4M1 S6 E7 L8 F86M1-L4 PolarHBondContact O-N 3.47Å; L4-S6 VanDerWaalsContact C-N 3.32Å; L4-S6 PolarHBondContact O-N 3.4Å; L4-E7 PolarHBondContact O-N 3.32Å; L4-L8 WeakPolarHBondContact O-CG 3.27Å; L4-L8 PolarHBondContact O-N 3.34Å; L4-F86 HydrophobicContact CD2-CD2 4.24Å; L4-F86 HydrophobicContact CD2-CE2 4.36Å
5E76.1Confident77.8Confident97 Ų9791.7 Ų91.745%0.45348%0.483SS..Hα-helixtrans-64.7-39177.7-170.9171-17200111.1E7 L8 T9 F86E5-E7 VanDerWaalsContact C-N 3.28Å; E5-E7 PolarHBondContact O-N 2.9Å; E5-L8 PolarHBondContact O-N 3.19Å; E5-L8 VanDerWaalsContact O-N 3.1Å; E5-T9 WeakPolarHBondContact O-CG2 3.5Å; E5-T9 PolarHBondContact O-N 3.45Å; E5-F86 HydrophobicContact CB-CZ 4.13Å; E5-F86 HydrophobicContact CG-CE1 4.4Å; E5-F86 HydrophobicContact CG-CZ 4.29Å
6S76.4Confident78.5Confident74 Ų7488.6 Ų88.652%0.51747%0.466SS..Hα-helixtrans-60.9-3517676.40000113.2T3 L4 L8 T9T3-S6 PolarHBondContact O-OG 3.21Å; L4-S6 VanDerWaalsContact C-N 3.32Å; L4-S6 PolarHBondContact O-N 3.4Å; S6-L8 VanDerWaalsContact C-N 3.29Å; S6-L8 PolarHBondContact O-N 2.93Å; S6-T9 PolarHBondContact O-N 3.18Å; S6-T9 PolarHBondContact O-OG1 2.65Å
7E80.8Confident79.2Confident141 Ų14184.3 Ų84.366%0.65944%0.443SS*.Hα-helixtrans-74.6-17.9178.3-66.4178.5-174.900113.2L4 E5L4-E7 PolarHBondContact O-N 3.32Å; E5-E7 VanDerWaalsContact C-N 3.28Å; E5-E7 PolarHBondContact O-N 2.9Å
8L87.6Confident79.6Confident11 Ų1186.8 Ų86.86%0.05845%0.452CS..THydrogen-bonded Turntrans-101.96.9179.4-60.9178.4000113.1L4 E5 S6 L16 F17 L79 I82 I83 F86L4-L8 WeakPolarHBondContact O-CG 3.27Å; L4-L8 PolarHBondContact O-N 3.34Å; E5-L8 PolarHBondContact O-N 3.19Å; E5-L8 VanDerWaalsContact O-N 3.1Å; S6-L8 VanDerWaalsContact C-N 3.29Å; S6-L8 PolarHBondContact O-N 2.93Å; L8-L16 HydrophobicContact CB-CD2 3.78Å; L8-L16 WeakPolarHBondContact O-CA 3.49Å; L8-F17 WeakPolarHBondContact O-CD2 3.33Å; L8-F17 PolarHBondContact O-N 3.06Å; L8-L79 HydrophobicContact CD2-CD1 3.78Å; L8-I82 HydrophobicContact CD1-CG2 4.14Å; L8-I82 HydrophobicContact CD2-CG2 3.72Å; L8-I83 HydrophobicContact CB-CG1 4.35Å; L8-I83 HydrophobicContact CD2-CG1 4.34Å; L8-F86 HydrophobicContact CD1-CB 4.06Å; L8-F86 HydrophobicContact CD1-CD1 4.28Å; L8-F86 HydrophobicContact CD1-CD2 4.17Å; L8-F86 HydrophobicContact CD1-CG 3.91Å
9T88.8Confident79.9Confident42 Ų4285 Ų8526%0.25844%0.443SS..BIsolated β-bridgetrans-96.2141.118062.10000112.4E5 S6 E15 F17E5-T9 WeakPolarHBondContact O-CG2 3.5Å; E5-T9 PolarHBondContact O-N 3.45Å; S6-T9 PolarHBondContact O-N 3.18Å; S6-T9 PolarHBondContact O-OG1 2.65Å; T9-E15 CarbonylContact C-O 3.53Å; T9-E15 WeakPolarHBondContact CA-O 3.48Å; T9-F17 VanDerWaalsContact C-CE2 3.45Å; T9-F17 WeakPolarHBondContact O-CE2 3.33Å; T9-F17 WeakPolarHBondContact O-CZ 3.49Å
10C90.6Very high80.4Confident0 Ų080.9 Ų80.90%042%0.422CS..  trans-74.1130.1174.41760000110.3I12 C13 L14 E15 F17 C30C10-I12 PolarHBondContact O-N 3.49Å; C10-C13 WeakPolarHBondContact CB-SG 3.19Å; C10-L14 VanDerWaalsContact O-CA 3.23Å; C10-L14 WeakPolarHBondContact O-CA 3.02Å; C10-L14 PolarHBondContact O-N 3.03Å; C10-E15 PolarHBondContact N-O 3.44Å; C10-F17 VanDerWaalsContact CA-CE1 3.5Å; C10-F17 HydrophobicContact CB-CD1 3.64Å; C10-F17 HydrophobicContact CB-CE1 3.65Å; C10-F17 HydrophobicContact CB-CG 4.19Å; C10-F17 HydrophobicContact CB-CZ 4.21Å; C10-C30 WeakPolarHBondContact CB-SG 3.38Å
11P88.1Confident80.7Confident58 Ų5877.1 Ų77.138%0.37740%0.402SS..THydrogen-bonded Turntrans-68.6-4.6-176.428.7-36.7000114.3L29 P57P11-L29 HydrophobicContact CG-CD2 3.72Å; P11-P57 HydrophobicContact CG-CG 4.42Å
12I89.4Confident82.6Confident70 Ų7071.1 Ų71.136%0.35937%0.374SS..THydrogen-bonded Turntrans-105.3-53.2-178.1-60.2-59000112.1C10 L29 C33 I37 P57C10-I12 PolarHBondContact O-N 3.49Å; I12-L29 HydrophobicContact CG1-CD2 3.8Å; I12-C33 HydrophobicContact CB-CB 3.86Å; I12-C33 HydrophobicContact CG1-CB 4.34Å; I12-C33 HydrophobicContact CG2-CB 3.83Å; I12-I37 HydrophobicContact CD1-CD1 4.07Å; I12-I37 HydrophobicContact CG1-CD1 4.04Å; I12-P57 HydrophobicContact CD1-CB 3.71Å; I12-P57 HydrophobicContact CD1-CG 3.71Å; I12-P57 HydrophobicContact CG1-CG 4.05Å
13C89.9Confident84.5Confident51 Ų5163 Ų6335%0.34534%0.336SS..THydrogen-bonded Turntrans-87.3-12.6177.559.70000113.2C10 E15C10-C13 WeakPolarHBondContact CB-SG 3.19Å; C13-E15 PolarHBondContact O-N 2.84Å; C13-E15 VanDerWaalsContact O-N 3.14Å
14L88.3Confident85.7Confident132 Ų13261.9 Ų61.969%0.69133%0.33SS*.  trans5917.1-176.3-52.3178000114C10C10-L14 VanDerWaalsContact O-CA 3.23Å; C10-L14 WeakPolarHBondContact O-CA 3.02Å; C10-L14 PolarHBondContact O-N 3.03Å
15E90.3Very high86.5Confident132 Ų13258.9 Ų58.962%0.61732%0.317SS*.SBendtrans-107.6167173.9-65.3179.7174.800109.9T9 C10 C13T9-E15 CarbonylContact C-O 3.53Å; T9-E15 WeakPolarHBondContact CA-O 3.48Å; C10-E15 PolarHBondContact N-O 3.44Å; C13-E15 PolarHBondContact O-N 2.84Å; C13-E15 VanDerWaalsContact O-N 3.14Å
16L89.1Confident87Confident42 Ų4258.1 Ų58.122%0.2233%0.327CS..BIsolated β-bridgetrans-53.4142.6171.6-67.5174.7000110.4L8 E18 I83 F86 Q87L8-L16 HydrophobicContact CB-CD2 3.78Å; L8-L16 WeakPolarHBondContact O-CA 3.49Å; L16-E18 PolarHBondContact O-N 3.31Å; L16-I83 HydrophobicContact CB-CG2 4.32Å; L16-I83 HydrophobicContact CD1-CG2 4.49Å; L16-F86 HydrophobicContact CD1-CD1 4.32Å; L16-F86 HydrophobicContact CD1-CE1 4.41Å; L16-F86 HydrophobicContact CD2-CD1 4.5Å; L16-F86 HydrophobicContact CD2-CE1 4.42Å; L16-Q87 HydrophobicContact CD1-CG 4.14Å
17F89.4Confident87.6Confident16 Ų1657.6 Ų57.67%0.0732%0.316CS..  trans-59.8134-178.1-67.1-90.7000112.7L8 T9 C10 P20 S28 L79 I83L8-F17 WeakPolarHBondContact O-CD2 3.33Å; L8-F17 PolarHBondContact O-N 3.06Å; T9-F17 VanDerWaalsContact C-CE2 3.45Å; T9-F17 WeakPolarHBondContact O-CE2 3.33Å; T9-F17 WeakPolarHBondContact O-CZ 3.49Å; C10-F17 VanDerWaalsContact CA-CE1 3.5Å; C10-F17 HydrophobicContact CB-CD1 3.64Å; C10-F17 HydrophobicContact CB-CE1 3.65Å; C10-F17 HydrophobicContact CB-CG 4.19Å; C10-F17 HydrophobicContact CB-CZ 4.21Å; F17-P20 HydrophobicContact CB-CB 3.94Å; F17-P20 HydrophobicContact CB-CG 4.34Å; F17-P20 HydrophobicContact CD1-CB 4.21Å; F17-P20 HydrophobicContact CG-CB 4.27Å; F17-S28 VanDerWaalsContact CE1-O 3.27Å; F17-S28 WeakPolarHBondContact CE1-O 3.26Å; F17-L79 HydrophobicContact CB-CD2 4.47Å; F17-L79 HydrophobicContact CD1-CD2 4.45Å; F17-L79 HydrophobicContact CD2-CD1 4.44Å; F17-L79 HydrophobicContact CD2-CD2 3.65Å; F17-L79 HydrophobicContact CD2-CG 4.24Å; F17-L79 HydrophobicContact CE2-CD2 3.89Å; F17-L79 HydrophobicContact CG-CD2 3.96Å; F17-L79 HydrophobicContact CZ-CD2 4.38Å; F17-I83 HydrophobicContact CB-CD1 3.5Å; F17-I83 HydrophobicContact CD2-CD1 4.15Å; F17-I83 HydrophobicContact CG-CD1 4.32Å; F17-I83 WeakPolarHBondContact O-CD1 3.45Å
18E86.7Confident88.1Confident130 Ų13051.5 Ų51.561%0.60729%0.289SS*.SBendtrans-120.5120.6174.4-170.5-176-163.900108.7L16 C30L16-E18 PolarHBondContact O-N 3.31Å; E18-C30 PolarHBondContact N-SG 3.46Å; E18-C30 WeakPolarHBondContact O-CA 3.28Å; E18-C30 WeakPolarHBondContact O-CB 3.42Å
19D84.9Confident88.3Confident52 Ų5251 Ų5128%0.27829%0.286SS..SBendtrans46.563.9-169.5-162.821.2000112.4L21 F31 R75D19-L21 PolarHBondContact O-N 3.37Å; D19-F31 HydrophobicContact CB-CB 4.1Å; D19-F31 PolarHBondContact O-N 2.98Å; D19-R75 VanDerWaalsContact OD1-CD 3.26Å; D19-R75 WeakPolarHBondContact OD1-CD 3.35Å; D19-R75 IonicContact OD1-CZ 3.77Å; D19-R75 IonicContact OD1-NE 2.74Å; D19-R75 PolarHBondContact OD1-NE 3.24Å; D19-R75 IonicContact OD2-CZ 3.97Å; D19-R75 IonicContact OD2-NE 2.64Å; D19-R75 PolarHBondContact OD2-NE 3.33Å; D19-R75 IonicContact OD2-NH2 3.31Å; D19-R75 PolarHBondContact OD2-NH2 2.78Å; D19-R75 VanDerWaalsContact OD2-NH2 3.08Å
20P89.8Confident88.5Confident2 Ų249.2 Ų49.21%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-66.3123.6-175.425.6-32.2000110.9F17 L29 R75 N76 L79 Q80F17-P20 HydrophobicContact CB-CB 3.94Å; F17-P20 HydrophobicContact CB-CG 4.34Å; F17-P20 HydrophobicContact CD1-CB 4.21Å; F17-P20 HydrophobicContact CG-CB 4.27Å; P20-L29 CarbonylContact C-O 3.55Å; P20-L29 WeakPolarHBondContact CA-O 3.37Å; P20-R75 CarbonylContact O-C 3.59Å; P20-R75 WeakPolarHBondContact O-CA 3.29Å; P20-N76 HydrophobicContact CB-CB 4.16Å; P20-N76 HydrophobicContact CG-CB 4.24Å; P20-N76 PolarHBondContact O-N 3.22Å; P20-L79 HydrophobicContact CB-CD2 3.93Å; P20-L79 HydrophobicContact CB-CG 4.46Å; P20-L79 HydrophobicContact CG-CB 4.3Å; P20-L79 HydrophobicContact CG-CD2 4.38Å; P20-L79 HydrophobicContact CG-CG 4.38Å; P20-Q80 HydrophobicContact CG-CB 4.16Å
21L87.4Confident88.4Confident2 Ų251.3 Ų51.31%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-84140.8167.4-66.9177000110.2D19 S28 L29 F31 A34 L73 R75D19-L21 PolarHBondContact O-N 3.37Å; L21-S28 WeakPolarHBondContact O-CA 3.11Å; L21-S28 WeakPolarHBondContact O-CB 3.16Å; L21-S28 PolarHBondContact O-OG 3.2Å; L21-S28 VanDerWaalsContact O-OG 3.11Å; L21-L29 PolarHBondContact N-O 2.84Å; L21-L29 PolarHBondContact O-N 3.5Å; L21-F31 HydrophobicContact CD1-CB 4.31Å; L21-F31 HydrophobicContact CD1-CD2 3.81Å; L21-F31 HydrophobicContact CD1-CG 4.4Å; L21-F31 HydrophobicContact CD2-CD2 4.07Å; L21-F31 HydrophobicContact CG-CB 4.3Å; L21-F31 HydrophobicContact CG-CD2 4.15Å; L21-A34 HydrophobicContact CD1-CB 4.03Å; L21-L73 HydrophobicContact CD1-CD1 4.32Å; L21-L73 HydrophobicContact CD2-CB 4.23Å; L21-R75 HydrophobicContact CD2-CG 4.4Å
22L88Confident88.3Confident67 Ų6752.9 Ų52.935%0.35129%0.29SS..EExtended strand (participates in β ladder)trans-94.2115.9170.8-176.463.2000109.5K74 N76L22-K74 PolarHBondContact N-O 3.18Å; L22-N76 HydrophobicContact CB-CB 4.14Å
23L86.9Confident88.4Confident5 Ų550 Ų503%0.02628%0.276CS..  trans-81.6154.8178.4-55.1-178000111.2C25 A26 H27 L29 F54 C56 I63 L73L23-C25 PolarHBondContact O-N 3.34Å; L23-C25 VanDerWaalsContact O-N 3.07Å; L23-A26 WeakPolarHBondContact O-CA 3.36Å; L23-A26 PolarHBondContact O-N 2.82Å; L23-H27 VanDerWaalsContact CB-O 3.3Å; L23-H27 WeakPolarHBondContact CB-O 3.43Å; L23-H27 WeakPolarHBondContact CG-O 3.32Å; L23-H27 PolarHBondContact N-O 3.34Å; L23-L29 HydrophobicContact CD1-CD1 3.96Å; L23-L29 HydrophobicContact CD1-CG 4.16Å; L23-F54 HydrophobicContact CD2-CE2 4.47Å; L23-F54 HydrophobicContact CD2-CZ 3.78Å; L23-C56 HydrophobicContact CD1-CB 4.11Å; L23-I63 HydrophobicContact CB-CD1 4.17Å; L23-I63 HydrophobicContact CD1-CG1 4.38Å; L23-I63 HydrophobicContact CD2-CG1 4.48Å; L23-L73 HydrophobicContact CD2-CD1 3.97Å
24P81.9Confident88.2Confident84 Ų8447.6 Ų47.655%0.54526%0.26SS..THydrogen-bonded Turntrans-51.9-26.9171.5-30.232.5000115.5A26 Y61 I63P24-A26 PolarHBondContact O-N 3.42Å; P24-Y61 HydrophobicContact CB-CE1 4.2Å; P24-I63 HydrophobicContact CG-CD1 4.4Å; P24-I63 HydrophobicContact CG-CG2 4.21Å
25C85.4Confident88.1Confident29 Ų2945.6 Ų45.620%0.19625%0.246CC..THydrogen-bonded Turntrans-83.712.5174.163.70000114.1L23 H27 C56 C59 Y61L23-C25 PolarHBondContact O-N 3.34Å; L23-C25 VanDerWaalsContact O-N 3.07Å; C25-H27 PolarHBondContact O-N 2.94Å; C25-H27 VanDerWaalsContact O-N 3.13Å; C25-C56 VanDerWaalsContact SG-SG 3.61Å; C25-C59 VanDerWaalsContact SG-SG 3.65Å; C25-Y61 HydrophobicContact CB-CD1 3.7Å; C25-Y61 HydrophobicContact CB-CG 3.93Å
26A86.4Confident87.8Confident80 Ų8048.3 Ų48.366%0.66125%0.251SS*.SBendtrans63.45.7-177.400000116.8L23 P24L23-A26 WeakPolarHBondContact O-CA 3.36Å; L23-A26 PolarHBondContact O-N 2.82Å; P24-A26 PolarHBondContact O-N 3.42Å
27H89.3Confident87.6Confident64 Ų6447.5 Ų47.530%0.29625%0.247SC..  trans-82.8159.2169.1-66.1115.1000111.3L23 C25 C59L23-H27 VanDerWaalsContact CB-O 3.3Å; L23-H27 WeakPolarHBondContact CB-O 3.43Å; L23-H27 WeakPolarHBondContact CG-O 3.32Å; L23-H27 PolarHBondContact N-O 3.34Å; C25-H27 PolarHBondContact O-N 2.94Å; C25-H27 VanDerWaalsContact O-N 3.13Å; H27-C59 PolarHBondContact ND1-SG 3.32Å
28S91.5Very high87.1Confident13 Ų1348.1 Ų48.19%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-115.8150.8175.7-78.20000113F17 L21 N76F17-S28 VanDerWaalsContact CE1-O 3.27Å; F17-S28 WeakPolarHBondContact CE1-O 3.26Å; L21-S28 WeakPolarHBondContact O-CA 3.11Å; L21-S28 WeakPolarHBondContact O-CB 3.16Å; L21-S28 PolarHBondContact O-OG 3.2Å; L21-S28 VanDerWaalsContact O-OG 3.11Å; S28-N76 PolarHBondContact OG-ND2 2.83Å
29L91.4Very high86.5Confident0 Ų045.5 Ų45.50%024%0.243CC..EExtended strand (participates in β ladder)trans-141.4147.1173.5-71178.8000109P11 I12 P20 L21 L23 A34 I37 F54 P57P11-L29 HydrophobicContact CG-CD2 3.72Å; I12-L29 HydrophobicContact CG1-CD2 3.8Å; P20-L29 CarbonylContact C-O 3.55Å; P20-L29 WeakPolarHBondContact CA-O 3.37Å; L21-L29 PolarHBondContact N-O 2.84Å; L21-L29 PolarHBondContact O-N 3.5Å; L23-L29 HydrophobicContact CD1-CD1 3.96Å; L23-L29 HydrophobicContact CD1-CG 4.16Å; L29-A34 HydrophobicContact CB-CB 4.46Å; L29-A34 HydrophobicContact CD1-CB 4.48Å; L29-I37 HydrophobicContact CD1-CD1 4.07Å; L29-F54 HydrophobicContact CD1-CE2 4.12Å; L29-P57 HydrophobicContact CD1-CG 4.09Å; L29-P57 HydrophobicContact CD2-CG 3.74Å; L29-P57 HydrophobicContact CG-CG 4.45Å
30C92.6Very high85.8Confident5 Ų546.9 Ų46.93%0.03426%0.257CS..EExtended strand (participates in β ladder)trans-59.5143168.1-53.80000109.9C10 E18 N32 C33 A34C10-C30 WeakPolarHBondContact CB-SG 3.38Å; E18-C30 PolarHBondContact N-SG 3.46Å; E18-C30 WeakPolarHBondContact O-CA 3.28Å; E18-C30 WeakPolarHBondContact O-CB 3.42Å; C30-N32 VanDerWaalsContact C-N 3.25Å; C30-N32 PolarHBondContact O-N 3.46Å; C30-C33 HydrophobicContact CB-CB 4.04Å; C30-C33 WeakPolarHBondContact O-CA 3.35Å; C30-C33 WeakPolarHBondContact O-CB 2.9Å; C30-C33 PolarHBondContact O-N 3.27Å; C30-A34 PolarHBondContact O-N 3.35Å
31F88.8Confident84.4Confident43 Ų4352.1 Ų52.119%0.18928%0.281CS..Hα-helixtrans-49.1-48.5176.2-178-87.4000112D19 L21 C33 A34 H35 L70D19-F31 HydrophobicContact CB-CB 4.1Å; D19-F31 PolarHBondContact O-N 2.98Å; L21-F31 HydrophobicContact CD1-CB 4.31Å; L21-F31 HydrophobicContact CD1-CD2 3.81Å; L21-F31 HydrophobicContact CD1-CG 4.4Å; L21-F31 HydrophobicContact CD2-CD2 4.07Å; L21-F31 HydrophobicContact CG-CB 4.3Å; L21-F31 HydrophobicContact CG-CD2 4.15Å; F31-C33 VanDerWaalsContact C-N 3.31Å; F31-C33 PolarHBondContact O-N 2.95Å; F31-A34 PolarHBondContact O-N 3.18Å; F31-H35 WeakPolarHBondContact O-CB 3.44Å; F31-H35 PolarHBondContact O-N 3.31Å; F31-L70 HydrophobicContact CE2-CB 4.19Å
32N87Confident82.8Confident91 Ų9155.6 Ų55.649%0.48731%0.305SS..Hα-helixtrans-64.8-32.2179.2-70.3-33.4000113.3C30 R36C30-N32 VanDerWaalsContact C-N 3.25Å; C30-N32 PolarHBondContact O-N 3.46Å; N32-R36 WeakPolarHBondContact O-CG 3.41Å; N32-R36 PolarHBondContact O-N 3.49Å
33C90.3Very high80.9Confident10 Ų1057 Ų577%0.06833%0.326CS..Hα-helixtrans-72-43.1176.7-71.40000111.2I12 C30 F31 H35 R36 I37I12-C33 HydrophobicContact CB-CB 3.86Å; I12-C33 HydrophobicContact CG1-CB 4.34Å; I12-C33 HydrophobicContact CG2-CB 3.83Å; C30-C33 HydrophobicContact CB-CB 4.04Å; C30-C33 WeakPolarHBondContact O-CA 3.35Å; C30-C33 WeakPolarHBondContact O-CB 2.9Å; C30-C33 PolarHBondContact O-N 3.27Å; F31-C33 VanDerWaalsContact C-N 3.31Å; F31-C33 PolarHBondContact O-N 2.95Å; C33-H35 VanDerWaalsContact C-N 3.32Å; C33-H35 PolarHBondContact O-N 3.18Å; C33-R36 PolarHBondContact O-N 3.11Å; C33-I37 WeakPolarHBondContact O-CG1 3.03Å; C33-I37 PolarHBondContact O-N 3.39Å; C33-I37 VanDerWaalsContact O-N 3.1Å
34A86.8Confident79Confident0 Ų062.4 Ų62.40%036%0.359CS..Hα-helixtrans-62.5-40.4173.900000111.5L21 L29 C30 F31 I37 L38 F54 L70L21-A34 HydrophobicContact CD1-CB 4.03Å; L29-A34 HydrophobicContact CB-CB 4.46Å; L29-A34 HydrophobicContact CD1-CB 4.48Å; C30-A34 PolarHBondContact O-N 3.35Å; F31-A34 PolarHBondContact O-N 3.18Å; A34-I37 PolarHBondContact O-N 3.25Å; A34-L38 PolarHBondContact O-N 2.99Å; A34-F54 HydrophobicContact CB-CZ 4.42Å; A34-L70 HydrophobicContact CB-CD1 4.16Å; A34-L70 HydrophobicContact CB-CD2 4.01Å
35H85.2Confident77.4Confident90 Ų9066.8 Ų66.842%0.41738%0.378SS..Hα-helixtrans-62-43.3175.1-174.1-84.8000112.4F31 C33 I37 L38 V39 L70F31-H35 WeakPolarHBondContact O-CB 3.44Å; F31-H35 PolarHBondContact O-N 3.31Å; C33-H35 VanDerWaalsContact C-N 3.32Å; C33-H35 PolarHBondContact O-N 3.18Å; H35-I37 PolarHBondContact O-N 3.29Å; H35-L38 WeakPolarHBondContact O-CB 3.38Å; H35-L38 PolarHBondContact O-N 2.9Å; H35-V39 WeakPolarHBondContact O-CG2 3.36Å; H35-V39 PolarHBondContact O-N 3.19Å; H35-L70 HydrophobicContact CB-CD1 3.81Å
36R85.2Confident75.3Confident189 Ų18974.1 Ų74.171%0.71341%0.409SS*.Hα-helixtrans-63.1-39.6176.3-76.5-178.5-169.2-154.86.1112.8N32 C33 L38 V39 S40N32-R36 WeakPolarHBondContact O-CG 3.41Å; N32-R36 PolarHBondContact O-N 3.49Å; C33-R36 PolarHBondContact O-N 3.11Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-V39 PolarHBondContact O-N 2.97Å; R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 2.99Å; R36-S40 PolarHBondContact O-OG 2.95Å
37I83.6Confident73.2Confident25 Ų2575.4 Ų75.413%0.12841%0.414CS..Hα-helixtrans-63.7-42175.5-67165.7000110.4I12 L29 C33 A34 H35 V39 S40 H41 F54 P57I12-I37 HydrophobicContact CD1-CD1 4.07Å; I12-I37 HydrophobicContact CG1-CD1 4.04Å; L29-I37 HydrophobicContact CD1-CD1 4.07Å; C33-I37 WeakPolarHBondContact O-CG1 3.03Å; C33-I37 PolarHBondContact O-N 3.39Å; C33-I37 VanDerWaalsContact O-N 3.1Å; A34-I37 PolarHBondContact O-N 3.25Å; H35-I37 PolarHBondContact O-N 3.29Å; I37-V39 PolarHBondContact O-N 3.44Å; I37-S40 PolarHBondContact O-OG 3.14Å; I37-S40 VanDerWaalsContact O-OG 3.1Å; I37-H41 PolarHBondContact O-CD2 2.85Å; I37-H41 VanDerWaalsContact O-CD2 3.26Å; I37-H41 PolarHBondContact O-N 3.32Å; I37-F54 HydrophobicContact CG2-CB 4.02Å; I37-F54 HydrophobicContact CG2-CD2 3.88Å; I37-F54 HydrophobicContact CG2-CG 4.25Å; I37-P57 HydrophobicContact CD1-CG 4.46Å
38L80.7Confident71.1Confident29 Ų2979.7 Ų79.715%0.15244%0.444CS..Hα-helixtrans-62.8-43.1178.7-162.881.8000111.8A34 H35 R36 I51 F54 L65 L70A34-L38 PolarHBondContact O-N 2.99Å; H35-L38 WeakPolarHBondContact O-CB 3.38Å; H35-L38 PolarHBondContact O-N 2.9Å; R36-L38 VanDerWaalsContact C-N 3.33Å; L38-I51 HydrophobicContact CD1-CG2 3.83Å; L38-I51 HydrophobicContact CG-CG2 4.27Å; L38-F54 HydrophobicContact CD1-CB 4.45Å; L38-F54 HydrophobicContact CD1-CD1 4.2Å; L38-L65 HydrophobicContact CD1-CD1 3.54Å; L38-L65 HydrophobicContact CD2-CD1 4.34Å; L38-L70 HydrophobicContact CD2-CD1 4.42Å; L38-L70 HydrophobicContact CD2-CG 4.46Å
39V74.2Confident68.8Low75 Ų7587.1 Ų87.146%0.45548%0.477SS..Hα-helixtrans-77.2-32.3-178.11770000112.6H35 R36 I37 H41 C42H35-V39 WeakPolarHBondContact O-CG2 3.36Å; H35-V39 PolarHBondContact O-N 3.19Å; R36-V39 PolarHBondContact O-N 2.97Å; I37-V39 PolarHBondContact O-N 3.44Å; V39-H41 VanDerWaalsContact C-N 3.26Å; V39-H41 PolarHBondContact O-N 2.95Å; V39-C42 VanDerWaalsContact O-CB 3.25Å; V39-C42 WeakPolarHBondContact O-CB 3.4Å; V39-C42 PolarHBondContact O-N 3.32Å; V39-C42 VanDerWaalsContact O-N 3.14Å; V39-C42 PolarHBondContact O-SG 2.88Å
40S68.9Low67Low81 Ų8191.9 Ų91.957%0.56651%0.511SS*.Hα-helixtrans-69.6-22.8179.5650000113.4R36 I37 C42R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 2.99Å; R36-S40 PolarHBondContact O-OG 2.95Å; I37-S40 PolarHBondContact O-OG 3.14Å; I37-S40 VanDerWaalsContact O-OG 3.1Å; S40-C42 PolarHBondContact O-N 3.23Å
41H60.3Low65.3Low113 Ų11395.2 Ų95.252%0.52353%0.528SS..THydrogen-bonded Turntrans-71.8-4.6171.3-82.8-64.2000114.1I37 V39 A43I37-H41 PolarHBondContact O-CD2 2.85Å; I37-H41 VanDerWaalsContact O-CD2 3.26Å; I37-H41 PolarHBondContact O-N 3.32Å; V39-H41 VanDerWaalsContact C-N 3.26Å; V39-H41 PolarHBondContact O-N 2.95Å; H41-A43 PolarHBondContact O-N 3.01Å
42C53.7Low64.3Low74 Ų7496.8 Ų96.850%0.554%0.541SS..THydrogen-bonded Turntrans-82.38.1179-64.10000116.1V39 S40 T44 I51V39-C42 VanDerWaalsContact O-CB 3.25Å; V39-C42 WeakPolarHBondContact O-CB 3.4Å; V39-C42 PolarHBondContact O-N 3.32Å; V39-C42 VanDerWaalsContact O-N 3.14Å; V39-C42 PolarHBondContact O-SG 2.88Å; S40-C42 PolarHBondContact O-N 3.23Å; C42-T44 PolarHBondContact O-N 3.31Å; C42-I51 HydrophobicContact CB-CD1 4.49Å; C42-I51 WeakPolarHBondContact SG-CD1 3.42Å
43A49.8Very low64Low96 Ų9694 Ų9479%0.79353%0.531SS*.  trans-74.17.2-17000000116H41H41-A43 PolarHBondContact O-N 3.01Å
44T45.7Very low63.9Low119 Ų11993.8 Ų93.873%0.7353%0.528SS*.SBendtrans-117118.5174.451.30000110.2C42 E46C42-T44 PolarHBondContact O-N 3.31Å; T44-E46 PolarHBondContact O-N 3.4Å
45N49.3Very low63.9Low177 Ų17798.7 Ų98.795%0.94755%0.551SS**  trans-48.784.2-176.7-79-23000115.3
46E39.8Very low64Low182 Ų18294.4 Ų94.485%0.8553%0.532SS*.  trans-137.4151.1156.9-72.2-169.6163.700110.2T44T44-E46 PolarHBondContact O-N 3.4Å
47S42.8Very low64.1Low108 Ų10887.9 Ų87.976%0.75551%0.514SS*.  trans-56.7145.8-172.943.20000114.2E49S47-E49 PolarHBondContact O-N 2.97Å
48V45.5Very low64.2Low153 Ų15390.3 Ų90.393%0.92753%0.53SS*.SBendtrans-71.762.5-173.4-1710000112.9
49E42.9Very low64.5Low169 Ų16991.7 Ų91.779%0.7954%0.541SS*.SBendtrans-126.9108.5165.8-73.6-174.7170.300109.3S47S47-E49 PolarHBondContact O-N 2.97Å
50S53.8Low65.1Low101 Ų10197.4 Ų97.471%0.70656%0.555SS**  trans72.373.4161.225.60000119.1T52S50-T52 PolarHBondContact O-N 3.18Å
51I57.3Low65.9Low75 Ų7599.7 Ų99.739%0.38555%0.552SS.*  trans-76.4105.3151.2-62.5178.9000107.9L38 C42L38-I51 HydrophobicContact CD1-CG2 3.83Å; L38-I51 HydrophobicContact CG-CG2 4.27Å; C42-I51 HydrophobicContact CB-CD1 4.49Å; C42-I51 WeakPolarHBondContact SG-CD1 3.42Å
52T68.2Low67.2Low75 Ų7597.7 Ų97.746%0.4655%0.548SS..  trans-100.95.5-176.156.20000112.9S50 T64 L65S50-T52 PolarHBondContact O-N 3.18Å; T52-T64 CarbonylContact O-C 3.22Å; T52-T64 VanDerWaalsContact O-CA 3.25Å; T52-T64 WeakPolarHBondContact O-CA 3.33Å; T52-T64 WeakPolarHBondContact O-CG2 3.27Å; T52-L65 PolarHBondContact O-N 2.95Å
53A80.8Confident68.6Low34 Ų3494.2 Ų94.228%0.28152%0.524SS..EExtended strand (participates in β ladder)trans-156.8155.3176.300000115.7V62 I63A53-V62 HydrophobicContact CB-CG1 3.98Å; A53-I63 CarbonylContact C-O 3.6Å; A53-I63 WeakPolarHBondContact CA-O 3.47Å; A53-I63 VanDerWaalsContact CB-O 3.31Å; A53-I63 WeakPolarHBondContact CB-O 3.33Å
54F86.6Confident70.2Confident4 Ų494.5 Ų94.52%0.01852%0.516CS..EExtended strand (participates in β ladder)trans-144161.5168.872.7-85.7000111.8L23 L29 A34 I37 L38 I63 L65 L70L23-F54 HydrophobicContact CD2-CE2 4.47Å; L23-F54 HydrophobicContact CD2-CZ 3.78Å; L29-F54 HydrophobicContact CD1-CE2 4.12Å; A34-F54 HydrophobicContact CB-CZ 4.42Å; I37-F54 HydrophobicContact CG2-CB 4.02Å; I37-F54 HydrophobicContact CG2-CD2 3.88Å; I37-F54 HydrophobicContact CG2-CG 4.25Å; L38-F54 HydrophobicContact CD1-CB 4.45Å; L38-F54 HydrophobicContact CD1-CD1 4.2Å; F54-I63 HydrophobicContact CD1-CB 4.05Å; F54-I63 HydrophobicContact CD1-CG2 4.38Å; F54-I63 HydrophobicContact CD2-CG1 4.47Å; F54-I63 HydrophobicContact CE1-CB 3.8Å; F54-I63 HydrophobicContact CE1-CG1 4.26Å; F54-I63 HydrophobicContact CE1-CG2 3.77Å; F54-I63 HydrophobicContact CE2-CB 4.4Å; F54-I63 HydrophobicContact CE2-CG1 4.02Å; F54-I63 HydrophobicContact CG-CB 4.47Å; F54-I63 HydrophobicContact CZ-CB 4Å; F54-I63 HydrophobicContact CZ-CG1 3.91Å; F54-I63 HydrophobicContact CZ-CG2 4.09Å; F54-I63 PolarHBondContact N-O 3.4Å; F54-I63 WeakPolarHBondContact O-CB 3.45Å; F54-I63 PolarHBondContact O-N 3.2Å; F54-L65 HydrophobicContact CD1-CD1 4.26Å; F54-L65 HydrophobicContact CE1-CD1 4.43Å; F54-L65 HydrophobicContact CE1-CD2 4.27Å; F54-L70 HydrophobicContact CE1-CD2 3.87Å
55Q87.6Confident71.7Confident103 Ų10389.4 Ų89.448%0.48148%0.484SS..EExtended strand (participates in β ladder)trans-92.5135.1178.1-71.8-179.2-1.300112.3V62Q55-V62 HydrophobicContact CG-CG2 4.07Å
56C87.4Confident72.7Confident1 Ų184.4 Ų84.41%0.00746%0.463CS..  trans-63.8126.1172.4177.70000110.2L23 C25 T58 R60 Y61 I63L23-C56 HydrophobicContact CD1-CB 4.11Å; C25-C56 VanDerWaalsContact SG-SG 3.61Å; C56-T58 PolarHBondContact O-N 3.39Å; C56-R60 WeakPolarHBondContact O-CA 3.3Å; C56-R60 PolarHBondContact O-N 2.76Å; C56-Y61 PolarHBondContact N-O 2.87Å; C56-I63 HydrophobicContact CB-CD1 4.46Å
57P86.6Confident74Confident52 Ų5285.7 Ų85.734%0.33847%0.469SS..THydrogen-bonded Turntrans-67.3-24.2-178.527.4-35.2000113.1P11 I12 L29 I37P11-P57 HydrophobicContact CG-CG 4.42Å; I12-P57 HydrophobicContact CD1-CB 3.71Å; I12-P57 HydrophobicContact CD1-CG 3.71Å; I12-P57 HydrophobicContact CG1-CG 4.05Å; L29-P57 HydrophobicContact CD1-CG 4.09Å; L29-P57 HydrophobicContact CD2-CG 3.74Å; L29-P57 HydrophobicContact CG-CG 4.45Å; I37-P57 HydrophobicContact CD1-CG 4.46Å
58T87.3Confident75.2Confident75 Ų7590 Ų9046%0.4647%0.469SS..THydrogen-bonded Turntrans-81.2-45.6-176.7-45.10000112.6C56C56-T58 PolarHBondContact O-N 3.39Å
59C86.1Confident76.8Confident59 Ų5984 Ų8440%0.39944%0.437SS..THydrogen-bonded Turntrans-124.42.3-174.666.50000114.8C25 H27 Y61C25-C59 VanDerWaalsContact SG-SG 3.65Å; H27-C59 PolarHBondContact ND1-SG 3.32Å; C59-Y61 PolarHBondContact O-N 2.89Å; C59-Y61 VanDerWaalsContact O-N 3.09Å; C59-Y61 VanDerWaalsContact SG-CB 3.57Å
60R87.6Confident78.5Confident194 Ų19476.4 Ų76.473%0.73240%0.402SS*.  trans60.911.7-179.1-51.9-140.9-177.6178.72.3115.9C56C56-R60 WeakPolarHBondContact O-CA 3.3Å; C56-R60 PolarHBondContact O-N 2.76Å
61Y85.6Confident79.6Confident129 Ų12977.3 Ų77.351%0.50640%0.399SS..  trans-63.7135.4173.8-174.4-101.7000111.1P24 C25 C56 C59 I63P24-Y61 HydrophobicContact CB-CE1 4.2Å; C25-Y61 HydrophobicContact CB-CD1 3.7Å; C25-Y61 HydrophobicContact CB-CG 3.93Å; C56-Y61 PolarHBondContact N-O 2.87Å; C59-Y61 PolarHBondContact O-N 2.89Å; C59-Y61 VanDerWaalsContact O-N 3.09Å; C59-Y61 VanDerWaalsContact SG-CB 3.57Å; Y61-I63 HydrophobicContact CD1-CD1 3.56Å; Y61-I63 HydrophobicContact CE1-CD1 4.13Å; Y61-I63 PolarHBondContact O-N 3.41Å
62V85.9Confident80.3Confident72 Ų7275.7 Ų75.744%0.43640%0.402SS..EExtended strand (participates in β ladder)trans-79.8118.7-179-179.20000109.6A53 Q55A53-V62 HydrophobicContact CB-CG1 3.98Å; Q55-V62 HydrophobicContact CG-CG2 4.07Å
63I84.6Confident80.9Confident0 Ų073.4 Ų73.40%039%0.386CS..EExtended strand (participates in β ladder)trans-95.2108.9178.9-49.9-48.1000108.7L23 P24 A53 F54 C56 Y61 L65 L73L23-I63 HydrophobicContact CB-CD1 4.17Å; L23-I63 HydrophobicContact CD1-CG1 4.38Å; L23-I63 HydrophobicContact CD2-CG1 4.48Å; P24-I63 HydrophobicContact CG-CD1 4.4Å; P24-I63 HydrophobicContact CG-CG2 4.21Å; A53-I63 CarbonylContact C-O 3.6Å; A53-I63 WeakPolarHBondContact CA-O 3.47Å; A53-I63 VanDerWaalsContact CB-O 3.31Å; A53-I63 WeakPolarHBondContact CB-O 3.33Å; F54-I63 HydrophobicContact CD1-CB 4.05Å; F54-I63 HydrophobicContact CD1-CG2 4.38Å; F54-I63 HydrophobicContact CD2-CG1 4.47Å; F54-I63 HydrophobicContact CE1-CB 3.8Å; F54-I63 HydrophobicContact CE1-CG1 4.26Å; F54-I63 HydrophobicContact CE1-CG2 3.77Å; F54-I63 HydrophobicContact CE2-CB 4.4Å; F54-I63 HydrophobicContact CE2-CG1 4.02Å; F54-I63 HydrophobicContact CG-CB 4.47Å; F54-I63 HydrophobicContact CZ-CB 4Å; F54-I63 HydrophobicContact CZ-CG1 3.91Å; F54-I63 HydrophobicContact CZ-CG2 4.09Å; F54-I63 PolarHBondContact N-O 3.4Å; F54-I63 WeakPolarHBondContact O-CB 3.45Å; F54-I63 PolarHBondContact O-N 3.2Å; C56-I63 HydrophobicContact CB-CD1 4.46Å; Y61-I63 HydrophobicContact CD1-CD1 3.56Å; Y61-I63 HydrophobicContact CE1-CD1 4.13Å; Y61-I63 PolarHBondContact O-N 3.41Å; I63-L65 HydrophobicContact CG2-CD2 4.24Å; I63-L73 HydrophobicContact CG2-CD2 4.49Å
64T82.4Confident80.9Confident102 Ų10279.8 Ų79.863%0.62641%0.408SS*.EExtended strand (participates in β ladder)trans-87.4131.2173-45.20000110.5T52T52-T64 CarbonylContact O-C 3.22Å; T52-T64 VanDerWaalsContact O-CA 3.25Å; T52-T64 WeakPolarHBondContact O-CA 3.33Å; T52-T64 WeakPolarHBondContact O-CG2 3.27Å
65L77.1Confident80.8Confident13 Ų1386.4 Ų86.47%0.06843%0.433CS..  trans-103.5144.6-179.1-59.9177.9000110.7L38 T52 F54 I63 L70 L73L38-L65 HydrophobicContact CD1-CD1 3.54Å; L38-L65 HydrophobicContact CD2-CD1 4.34Å; T52-L65 PolarHBondContact O-N 2.95Å; F54-L65 HydrophobicContact CD1-CD1 4.26Å; F54-L65 HydrophobicContact CE1-CD1 4.43Å; F54-L65 HydrophobicContact CE1-CD2 4.27Å; I63-L65 HydrophobicContact CG2-CD2 4.24Å; L65-L70 HydrophobicContact CD1-CD2 3.89Å; L65-L70 HydrophobicContact CD1-CG 4.22Å; L65-L70 HydrophobicContact CD2-CD2 4.11Å; L65-L73 HydrophobicContact CD2-CD1 3.89Å; L65-L73 HydrophobicContact CD2-CD2 4.29Å; L65-L73 HydrophobicContact CD2-CG 4.01Å
66S71.8Confident80.6Confident72 Ų7283 Ų8350%0.50342%0.418SS..  trans-81.9-177.6175.469.60000111.5R68 G69S66-R68 PolarHBondContact O-N 3.2Å; S66-R68 PolarHBondContact OG-N 3.04Å; S66-G69 PolarHBondContact O-N 3Å
67Q66.1Low80.4Confident208 Ų20887.1 Ų87.197%0.97244%0.443SS*.THydrogen-bonded Turntrans-56.1-16.9174.6-66.8178.4-2.300113.9
68R68.9Low80.1Confident199 Ų19989.3 Ų89.375%0.75146%0.455SS*.THydrogen-bonded Turntrans-89.45.2176.1-57.7-174.1-165.5-175.93.9113.7S66 D71S66-R68 PolarHBondContact O-N 3.2Å; S66-R68 PolarHBondContact OG-N 3.04Å; R68-D71 WeakPolarHBondContact O-CB 3.45Å; R68-D71 PolarHBondContact O-N 3.41Å
69G78.4Confident79.9Confident26 Ų2686.8 Ų86.827%0.26844%0.439SS..G310 helixtrans57.7-140.8178.600000113S66 D71 G72S66-G69 PolarHBondContact O-N 3Å; G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 PolarHBondContact O-N 3.49Å; G69-G72 PolarHBondContact O-N 2.99Å
70L78.7Confident79.8Confident10 Ų1086.3 Ų86.35%0.05243%0.431CS..G310 helixtrans-66.7-24.8178.9-68.4173000113.3F31 A34 H35 L38 F54 L65 G72 L73F31-L70 HydrophobicContact CE2-CB 4.19Å; A34-L70 HydrophobicContact CB-CD1 4.16Å; A34-L70 HydrophobicContact CB-CD2 4.01Å; H35-L70 HydrophobicContact CB-CD1 3.81Å; L38-L70 HydrophobicContact CD2-CD1 4.42Å; L38-L70 HydrophobicContact CD2-CG 4.46Å; F54-L70 HydrophobicContact CE1-CD2 3.87Å; L65-L70 HydrophobicContact CD1-CD2 3.89Å; L65-L70 HydrophobicContact CD1-CG 4.22Å; L65-L70 HydrophobicContact CD2-CD2 4.11Å; L70-G72 PolarHBondContact O-N 3.22Å; L70-L73 HydrophobicContact CD2-CD1 3.94Å; L70-L73 WeakPolarHBondContact O-CB 3.33Å; L70-L73 PolarHBondContact O-N 2.96Å
71D76.6Confident79.5Confident120 Ų12080.8 Ų80.864%0.64242%0.416SS*.G310 helixtrans-67.2-13.8175.2-62.1-44.2000112.6R68 G69 L73R68-D71 WeakPolarHBondContact O-CB 3.45Å; R68-D71 PolarHBondContact O-N 3.41Å; G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 PolarHBondContact O-N 3.49Å; D71-L73 VanDerWaalsContact C-N 3.32Å
72G72.8Confident79.3Confident42 Ų4278.5 Ų78.543%0.43341%0.411SS..G310 helixtrans-77-12.717100000114.5G69 L70G69-G72 PolarHBondContact O-N 2.99Å; L70-G72 PolarHBondContact O-N 3.22Å
73L80.6Confident79.3Confident27 Ų2775 Ų7514%0.14139%0.39CS..SBendtrans-86.4143.7178-64.5176.2000111.1L21 L23 I63 L65 L70 D71L21-L73 HydrophobicContact CD1-CD1 4.32Å; L21-L73 HydrophobicContact CD2-CB 4.23Å; L23-L73 HydrophobicContact CD2-CD1 3.97Å; I63-L73 HydrophobicContact CG2-CD2 4.49Å; L65-L73 HydrophobicContact CD2-CD1 3.89Å; L65-L73 HydrophobicContact CD2-CD2 4.29Å; L65-L73 HydrophobicContact CD2-CG 4.01Å; L70-L73 HydrophobicContact CD2-CD1 3.94Å; L70-L73 WeakPolarHBondContact O-CB 3.33Å; L70-L73 PolarHBondContact O-N 2.96Å; D71-L73 VanDerWaalsContact C-N 3.32Å
74K80.9Confident79.2Confident168 Ų16877.6 Ų77.673%0.7340%0.404SS*.EExtended strand (participates in β ladder)trans-75.2139.1179.2-68.8-173.7178.3-177.40110.7L22L22-K74 PolarHBondContact N-O 3.18Å
75R84.4Confident79.1Confident143 Ų14381.6 Ų81.654%0.5441%0.408SS..EExtended strand (participates in β ladder)trans-70.9135.4168.4-69.8177.2164.7100.56.6110.7D19 P20 L21 V77D19-R75 VanDerWaalsContact OD1-CD 3.26Å; D19-R75 WeakPolarHBondContact OD1-CD 3.35Å; D19-R75 IonicContact OD1-CZ 3.77Å; D19-R75 IonicContact OD1-NE 2.74Å; D19-R75 PolarHBondContact OD1-NE 3.24Å; D19-R75 IonicContact OD2-CZ 3.97Å; D19-R75 IonicContact OD2-NE 2.64Å; D19-R75 PolarHBondContact OD2-NE 3.33Å; D19-R75 IonicContact OD2-NH2 3.31Å; D19-R75 PolarHBondContact OD2-NH2 2.78Å; D19-R75 VanDerWaalsContact OD2-NH2 3.08Å; P20-R75 CarbonylContact O-C 3.59Å; P20-R75 WeakPolarHBondContact O-CA 3.29Å; L21-R75 HydrophobicContact CD2-CG 4.4Å; R75-V77 VanDerWaalsContact C-N 3.31Å; R75-V77 HydrophobicContact CB-CG2 4.36Å; R75-V77 PolarHBondContact O-N 3.49Å; R75-V77 VanDerWaalsContact O-N 3.09Å
76N83.3Confident79.5Confident32 Ų3282.6 Ų82.617%0.17141%0.411CS..  trans-83.774.2174.7-166.8-17.6000110.2P20 L22 S28 T78 L79 Q80P20-N76 HydrophobicContact CB-CB 4.16Å; P20-N76 HydrophobicContact CG-CB 4.24Å; P20-N76 PolarHBondContact O-N 3.22Å; L22-N76 HydrophobicContact CB-CB 4.14Å; S28-N76 PolarHBondContact OG-ND2 2.83Å; N76-T78 PolarHBondContact O-N 3.19Å; N76-L79 HydrophobicContact CB-CB 4.14Å; N76-L79 PolarHBondContact O-N 3.04Å; N76-L79 VanDerWaalsContact O-N 3.17Å; N76-L79 PolarHBondContact OD1-N 3.42Å; N76-L79 VanDerWaalsContact OD1-N 3.14Å; N76-Q80 PolarHBondContact O-N 3.04Å; N76-Q80 VanDerWaalsContact O-N 3.11Å
77V83.7Confident80Confident87 Ų8783.3 Ų83.353%0.52741%0.407SS..Hα-helixtrans-60-31-177.5-175.40000112R75 Q80 N81R75-V77 VanDerWaalsContact C-N 3.31Å; R75-V77 HydrophobicContact CB-CG2 4.36Å; R75-V77 PolarHBondContact O-N 3.49Å; R75-V77 VanDerWaalsContact O-N 3.09Å; V77-Q80 PolarHBondContact O-N 2.85Å; V77-N81 WeakPolarHBondContact O-CB 3.46Å; V77-N81 PolarHBondContact O-N 2.98Å; V77-N81 PolarHBondContact O-ND2 3.39Å
78T79.6Confident80.5Confident97 Ų9780.3 Ų80.360%0.59539%0.39SS*.Hα-helixtrans-64.5-46.7176.6-54.70000111.6N76 Q80 N81 I82N76-T78 PolarHBondContact O-N 3.19Å; T78-Q80 VanDerWaalsContact C-N 3.34Å; T78-N81 PolarHBondContact O-N 3.48Å; T78-I82 HydrophobicContact CG2-CD1 4.22Å; T78-I82 WeakPolarHBondContact O-CG1 3.38Å; T78-I82 PolarHBondContact O-N 3.15Å
79L83.2Confident80.7Confident23 Ų2374.3 Ų74.312%0.1238%0.384CS..Hα-helixtrans-63.6-41.7176.8-177.957.4000111.2L8 F17 P20 N76 N81 I82 I83L8-L79 HydrophobicContact CD2-CD1 3.78Å; F17-L79 HydrophobicContact CB-CD2 4.47Å; F17-L79 HydrophobicContact CD1-CD2 4.45Å; F17-L79 HydrophobicContact CD2-CD1 4.44Å; F17-L79 HydrophobicContact CD2-CD2 3.65Å; F17-L79 HydrophobicContact CD2-CG 4.24Å; F17-L79 HydrophobicContact CE2-CD2 3.89Å; F17-L79 HydrophobicContact CG-CD2 3.96Å; F17-L79 HydrophobicContact CZ-CD2 4.38Å; P20-L79 HydrophobicContact CB-CD2 3.93Å; P20-L79 HydrophobicContact CB-CG 4.46Å; P20-L79 HydrophobicContact CG-CB 4.3Å; P20-L79 HydrophobicContact CG-CD2 4.38Å; P20-L79 HydrophobicContact CG-CG 4.38Å; N76-L79 HydrophobicContact CB-CB 4.14Å; N76-L79 PolarHBondContact O-N 3.04Å; N76-L79 VanDerWaalsContact O-N 3.17Å; N76-L79 PolarHBondContact OD1-N 3.42Å; N76-L79 VanDerWaalsContact OD1-N 3.14Å; L79-N81 PolarHBondContact O-N 2.93Å; L79-I82 PolarHBondContact O-N 3.17Å; L79-I83 HydrophobicContact CD1-CD1 4.21Å; L79-I83 HydrophobicContact CD1-CG1 4.49Å; L79-I83 HydrophobicContact CG-CD1 4.03Å; L79-I83 WeakPolarHBondContact O-CG1 3.45Å; L79-I83 PolarHBondContact O-N 3.33Å
80Q82.8Confident80.1Confident49 Ų4976.8 Ų76.823%0.22940%0.397CS..Hα-helixtrans-58.4-45.7174-170.963.458.900111.7P20 N76 V77 T78 I82 I83 D84P20-Q80 HydrophobicContact CG-CB 4.16Å; N76-Q80 PolarHBondContact O-N 3.04Å; N76-Q80 VanDerWaalsContact O-N 3.11Å; V77-Q80 PolarHBondContact O-N 2.85Å; T78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 3.36Å; Q80-I83 PolarHBondContact O-N 2.96Å; Q80-D84 PolarHBondContact NE2-OD1 3.3Å; Q80-D84 VanDerWaalsContact O-CG 3.25Å; Q80-D84 PolarHBondContact O-N 3.48Å
81N82.1Confident79.3Confident78 Ų7882.5 Ų82.542%0.41743%0.432SS..Hα-helixtrans-62.9-33.9177.4-73.6-31.2000113.3V77 T78 L79 R85V77-N81 WeakPolarHBondContact O-CB 3.46Å; V77-N81 PolarHBondContact O-N 2.98Å; V77-N81 PolarHBondContact O-ND2 3.39Å; T78-N81 PolarHBondContact O-N 3.48Å; L79-N81 PolarHBondContact O-N 2.93Å; N81-R85 WeakPolarHBondContact O-CB 3.27Å; N81-R85 VanDerWaalsContact O-CG 3.24Å; N81-R85 WeakPolarHBondContact O-CG 3.49Å; N81-R85 PolarHBondContact O-N 3.38Å; N81-R85 VanDerWaalsContact O-N 3.15Å
82I82.4Confident78.2Confident80 Ų8081.4 Ų81.441%0.4143%0.433SS..Hα-helixtrans-69.2-44.1176.1-67.2164.8000109.9L8 T78 L79 Q80 R85 F86L8-I82 HydrophobicContact CD1-CG2 4.14Å; L8-I82 HydrophobicContact CD2-CG2 3.72Å; T78-I82 HydrophobicContact CG2-CD1 4.22Å; T78-I82 WeakPolarHBondContact O-CG1 3.38Å; T78-I82 PolarHBondContact O-N 3.15Å; L79-I82 PolarHBondContact O-N 3.17Å; Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 3.36Å; I82-R85 PolarHBondContact O-N 2.99Å; I82-F86 WeakPolarHBondContact O-CB 3.39Å; I82-F86 PolarHBondContact O-N 3.34Å
83I84.6Confident77.1Confident0 Ų082.1 Ų82.10%044%0.441CS..Hα-helixtrans-62.9-45.3177.4-68.3166.9000110.6L8 L16 F17 L79 Q80 R85 F86 Q87L8-I83 HydrophobicContact CB-CG1 4.35Å; L8-I83 HydrophobicContact CD2-CG1 4.34Å; L16-I83 HydrophobicContact CB-CG2 4.32Å; L16-I83 HydrophobicContact CD1-CG2 4.49Å; F17-I83 HydrophobicContact CB-CD1 3.5Å; F17-I83 HydrophobicContact CD2-CD1 4.15Å; F17-I83 HydrophobicContact CG-CD1 4.32Å; F17-I83 WeakPolarHBondContact O-CD1 3.45Å; L79-I83 HydrophobicContact CD1-CD1 4.21Å; L79-I83 HydrophobicContact CD1-CG1 4.49Å; L79-I83 HydrophobicContact CG-CD1 4.03Å; L79-I83 WeakPolarHBondContact O-CG1 3.45Å; L79-I83 PolarHBondContact O-N 3.33Å; Q80-I83 PolarHBondContact O-N 2.96Å; I83-R85 VanDerWaalsContact C-N 3.29Å; I83-R85 PolarHBondContact O-N 2.94Å; I83-F86 WeakPolarHBondContact O-CB 3.28Å; I83-F86 PolarHBondContact O-N 2.94Å; I83-Q87 HydrophobicContact CG2-CG 4.33Å; I83-Q87 WeakPolarHBondContact O-CB 3.18Å; I83-Q87 VanDerWaalsContact O-CG 3.31Å; I83-Q87 WeakPolarHBondContact O-CG 3.4Å; I83-Q87 PolarHBondContact O-N 2.96Å
84D82.4Confident75.4Confident53 Ų5387.3 Ų87.328%0.28348%0.476SS..Hα-helixtrans-60.6-38.7177.3-69.21.6000111.9Q80 K88Q80-D84 PolarHBondContact NE2-OD1 3.3Å; Q80-D84 VanDerWaalsContact O-CG 3.25Å; Q80-D84 PolarHBondContact O-N 3.48Å; D84-K88 WeakPolarHBondContact O-CB 3.39Å; D84-K88 WeakPolarHBondContact O-CD 3.09Å; D84-K88 WeakPolarHBondContact O-CG 3.45Å; D84-K88 PolarHBondContact O-N 3.42Å
85R81.8Confident73.3Confident187 Ų18786.7 Ų86.771%0.70648%0.481SS*.Hα-helixtrans-70.2-42.1175.7-74.3174.5-174.6-167.22.5111.8N81 I82 I83 K88 A89N81-R85 WeakPolarHBondContact O-CB 3.27Å; N81-R85 VanDerWaalsContact O-CG 3.24Å; N81-R85 WeakPolarHBondContact O-CG 3.49Å; N81-R85 PolarHBondContact O-N 3.38Å; N81-R85 VanDerWaalsContact O-N 3.15Å; I82-R85 PolarHBondContact O-N 2.99Å; I83-R85 VanDerWaalsContact C-N 3.29Å; I83-R85 PolarHBondContact O-N 2.94Å; R85-K88 PolarHBondContact O-N 3.19Å; R85-A89 WeakPolarHBondContact O-CB 3.46Å; R85-A89 PolarHBondContact O-N 2.97Å
86F84.3Confident70.9Confident34 Ų3485.4 Ų85.415%0.14949%0.494CS..Hα-helixtrans-59.7-47.9175.8179.3-101.2000110.4L4 E5 L8 L16 I82 I83 K88 A89 S90L4-F86 HydrophobicContact CD2-CD2 4.24Å; L4-F86 HydrophobicContact CD2-CE2 4.36Å; E5-F86 HydrophobicContact CB-CZ 4.13Å; E5-F86 HydrophobicContact CG-CE1 4.4Å; E5-F86 HydrophobicContact CG-CZ 4.29Å; L8-F86 HydrophobicContact CD1-CB 4.06Å; L8-F86 HydrophobicContact CD1-CD1 4.28Å; L8-F86 HydrophobicContact CD1-CD2 4.17Å; L8-F86 HydrophobicContact CD1-CG 3.91Å; L16-F86 HydrophobicContact CD1-CD1 4.32Å; L16-F86 HydrophobicContact CD1-CE1 4.41Å; L16-F86 HydrophobicContact CD2-CD1 4.5Å; L16-F86 HydrophobicContact CD2-CE1 4.42Å; I82-F86 WeakPolarHBondContact O-CB 3.39Å; I82-F86 PolarHBondContact O-N 3.34Å; I83-F86 WeakPolarHBondContact O-CB 3.28Å; I83-F86 PolarHBondContact O-N 2.94Å; F86-K88 PolarHBondContact O-N 3.3Å; F86-A89 PolarHBondContact O-N 2.95Å; F86-S90 WeakPolarHBondContact O-CB 3.42Å; F86-S90 PolarHBondContact O-N 2.88Å; F86-S90 PolarHBondContact O-OG 3.48Å
87Q81.9Confident69Low86 Ų8689.2 Ų89.240%0.40252%0.521SS..Hα-helixtrans-62-44.7175.9-71.2175-11.200112L16 I83 A89 S90 V91L16-Q87 HydrophobicContact CD1-CG 4.14Å; I83-Q87 HydrophobicContact CG2-CG 4.33Å; I83-Q87 WeakPolarHBondContact O-CB 3.18Å; I83-Q87 VanDerWaalsContact O-CG 3.31Å; I83-Q87 WeakPolarHBondContact O-CG 3.4Å; I83-Q87 PolarHBondContact O-N 2.96Å; Q87-A89 PolarHBondContact O-N 3.45Å; Q87-S90 WeakPolarHBondContact O-CB 3.4Å; Q87-S90 PolarHBondContact O-N 3.48Å; Q87-V91 VanDerWaalsContact O-CG2 3.23Å; Q87-V91 WeakPolarHBondContact O-CG2 3.34Å; Q87-V91 PolarHBondContact O-N 3.32Å; Q87-V91 VanDerWaalsContact O-N 3.1Å
88K76.5Confident67.2Low145 Ų14591.1 Ų91.163%0.6354%0.537SS*.Hα-helixtrans-62.7-38.9176.3-75.4169.1-174.9172.80113.2D84 R85 F86 S90 V91 S92D84-K88 WeakPolarHBondContact O-CB 3.39Å; D84-K88 WeakPolarHBondContact O-CD 3.09Å; D84-K88 WeakPolarHBondContact O-CG 3.45Å; D84-K88 PolarHBondContact O-N 3.42Å; R85-K88 PolarHBondContact O-N 3.19Å; F86-K88 PolarHBondContact O-N 3.3Å; K88-S90 VanDerWaalsContact C-N 3.34Å; K88-V91 PolarHBondContact O-N 3.26Å; K88-S92 PolarHBondContact O-N 3Å; K88-S92 PolarHBondContact O-OG 2.91Å
89A73.1Confident64.9Low74 Ų7495.6 Ų95.661%0.61255%0.552SS**Hα-helixtrans-68.6-34.3175.400000112R85 F86 Q87 V91 S92R85-A89 WeakPolarHBondContact O-CB 3.46Å; R85-A89 PolarHBondContact O-N 2.97Å; F86-A89 PolarHBondContact O-N 2.95Å; Q87-A89 PolarHBondContact O-N 3.45Å; A89-V91 VanDerWaalsContact C-N 3.34Å; A89-S92 PolarHBondContact O-N 2.94Å
90S66.8Low62.5Low78 Ų78100 Ų10055%0.54558%0.58SS.*Hα-helixtrans-67.7-31.3176.7-50.70000113F86 Q87 K88F86-S90 WeakPolarHBondContact O-CB 3.42Å; F86-S90 PolarHBondContact O-N 2.88Å; F86-S90 PolarHBondContact O-OG 3.48Å; Q87-S90 WeakPolarHBondContact O-CB 3.4Å; Q87-S90 PolarHBondContact O-N 3.48Å; K88-S90 VanDerWaalsContact C-N 3.34Å
91V61.1Low60.4Low129 Ų129109.7 Ų109.778%0.78261%0.614SS**Hα-helixtrans-88.2-11.4-177.9-177.10000112.5Q87 K88 A89 G93Q87-V91 VanDerWaalsContact O-CG2 3.23Å; Q87-V91 WeakPolarHBondContact O-CG2 3.34Å; Q87-V91 PolarHBondContact O-N 3.32Å; Q87-V91 VanDerWaalsContact O-N 3.1Å; K88-V91 PolarHBondContact O-N 3.26Å; A89-V91 VanDerWaalsContact C-N 3.34Å; V91-G93 PolarHBondContact O-N 3.22Å
92S53.3Low58Low97 Ų97115.7 Ų115.768%0.67863%0.631SS**  trans-88.774.7-179.4-56.70000112.2K88 A89K88-S92 PolarHBondContact O-N 3Å; K88-S92 PolarHBondContact O-OG 2.91Å; A89-S92 PolarHBondContact O-N 2.94Å
93G49.9Very low55.7Low57 Ų57121.2 Ų121.259%0.58866%0.655SS**  trans-77.7156.5169.500000113.4V91 N95V91-G93 PolarHBondContact O-N 3.22Å; G93-N95 VanDerWaalsContact C-N 3.34Å; G93-N95 PolarHBondContact O-N 3.48Å
94P45.3Very low52.9Low136 Ų136131.4 Ų131.488%0.88369%0.694SS**SBendtrans-83.350.1-163.334.7-37.3000115.2
95N37.8Very low50.3Low155 Ų155133.2 Ų133.283%0.82972%0.716SS**  trans-144.299.1173.1-95.5-24.8000114.8G93G93-N95 VanDerWaalsContact C-N 3.34Å; G93-N95 PolarHBondContact O-N 3.48Å
96S32.8Very low47.7Very low116 Ų116133.6 Ų133.681%0.81172%0.723SS**  trans71.4153.2153.8-91.50000121.7
97P43.8Very low44.9Very low113 Ų113139.7 Ų139.773%0.73476%0.757SS**  cis-125.8165.9-34.132-13.5000113E99P97-E99 PolarHBondContact O-N 2.83Å
98S45.6Very low42.4Very low126 Ų126140.3 Ų140.388%0.88177%0.771SS**  trans-50.5112.1-179.9-40.70000114.1
99E32.5Very low40.3Very low191 Ų191141 Ų14189%0.89378%0.782SS**  trans-93.2112.6155.5-80.7-150.3150.300110.6P97P97-E99 PolarHBondContact O-N 2.83Å
100T31Very low38.6Very low116 Ų116143.5 Ų143.571%0.71279%0.794SS**  trans-23.1133.7162.638.10000116.2R102T100-R102 PolarHBondContact O-N 3.35Å
101R39.8Very low37Very low253 Ų253148.4 Ų148.496%0.95581%0.811SS**  trans-39.2107.1155-75.8178.4-179.3-175.1-0110.2
102R30.5Very low36Very low204 Ų204147.7 Ų147.777%0.7781%0.811SS**  trans-111.2108.2147.9-84.6-178.4171.9177.6-0.8106.9T100 R104T100-R102 PolarHBondContact O-N 3.35Å; R102-R104 PolarHBondContact O-N 2.92Å; R102-R104 VanDerWaalsContact O-N 3.08Å
103E34.2Very low35.2Very low196 Ų196148.2 Ų148.292%0.91682%0.815SS**  trans-49.2112156.6-70.1171.8157.700108
104R27.8Very low34.7Very low214 Ų214150.5 Ų150.581%0.80882%0.821SS**  trans-132.2136.6155.5-78-169.9-176178.11107.8R102R102-R104 PolarHBondContact O-N 2.92Å; R102-R104 VanDerWaalsContact O-N 3.08Å
105A27.4Very low35.4Very low90 Ų90150.9 Ų150.974%0.74481%0.811SS**  trans-52.9150.6-170.400000112.7D107A105-D107 PolarHBondContact O-N 3.47Å
106F26.1Very low37Very low196 Ų196150.3 Ų150.386%0.8680%0.801SS**  trans-46104161.5-97.7-107.8000110.4S108F106-S108 VanDerWaalsContact C-N 3.25Å; F106-S108 PolarHBondContact O-N 3.13Å
107D25.2Very low39.3Very low162 Ų162145.9 Ų145.987%0.86677%0.769SS**  trans-82.582.2154.6-83-31.1000107.3A105 N109A105-D107 PolarHBondContact O-N 3.47Å; D107-N109 VanDerWaalsContact C-N 3.33Å; D107-N109 PolarHBondContact O-N 3.32Å
108S30.2Very low41.3Very low99 Ų99144.6 Ų144.669%0.69276%0.756SS**  trans-69.888.9164.441.20000108.9F106F106-S108 VanDerWaalsContact C-N 3.25Å; F106-S108 PolarHBondContact O-N 3.13Å
109N33Very low43.2Very low160 Ų160138.8 Ų138.886%0.85672%0.715SS**  trans-149.979.8167.9-132.113.3000111.9D107D107-N109 VanDerWaalsContact C-N 3.33Å; D107-N109 PolarHBondContact O-N 3.32Å
110S37.5Very low45.4Very low126 Ų126133.9 Ų133.988%0.88169%0.692SS**  trans-178.664.7138.9-1650000108.8
111M33.3Very low47.8Very low180 Ų180133.8 Ų133.889%0.88768%0.682SS**SBendtrans-107.3123.8159.2-119.1170.464.400105S113M111-S113 PolarHBondContact O-N 3.33Å
112S38.3Very low49.9Very low114 Ų114122.9 Ų122.980%0.79764%0.644SS**  trans6.693.5156.5176.40000112.3C114S112-C114 PolarHBondContact O-N 3.06Å
113S37.7Very low51.9Low109 Ų109121.6 Ų121.676%0.76265%0.653SS**  trans-61.784.9175.6540000108.6M111 E115M111-S113 PolarHBondContact O-N 3.33Å; S113-E115 VanDerWaalsContact C-N 3.25Å; S113-E115 PolarHBondContact O-N 3.42Å
114C40.1Very low53.8Low105 Ų105117.5 Ų117.571%0.70963%0.634SS**  trans-64.599.8153.1-169.50000103.8S112 K116S112-C114 PolarHBondContact O-N 3.06Å; C114-K116 PolarHBondContact O-N 2.87Å
115E59.1Low55.7Low143 Ų143115.1 Ų115.167%0.66864%0.637SS**  trans-47.2115.1177.2-77.4177.4151.400108.5S113 V117S113-E115 VanDerWaalsContact C-N 3.25Å; S113-E115 PolarHBondContact O-N 3.42Å; E115-V117 PolarHBondContact O-N 2.64Å; E115-V117 VanDerWaalsContact O-N 3.13Å
116K71.9Confident57.8Low143 Ų143115.7 Ų115.762%0.62263%0.633SS**  trans-66.8115.3-179.7-67.4-179.8163.2-158.40107.8C114 L118 E129C114-K116 PolarHBondContact O-N 2.87Å; K116-L118 PolarHBondContact O-N 2.95Å; K116-E129 VanDerWaalsContact CD-OE1 3.26Å; K116-E129 WeakPolarHBondContact CD-OE1 3.38Å; K116-E129 WeakPolarHBondContact CE-OE1 3.41Å; K116-E129 IonicContact NZ-OE1 3.94Å; K116-E129 PolarHBondContact NZ-OE1 3.46Å
117V81Confident60.4Low23 Ų23107.8 Ų107.814%0.13960%0.604CS.*PPolyproline II helixtrans-72.6117.3-177.5-171.60000108.1E115 A130 S140 P164 I165 P166E115-V117 PolarHBondContact O-N 2.64Å; E115-V117 VanDerWaalsContact O-N 3.13Å; V117-A130 HydrophobicContact CB-CB 4.45Å; V117-A130 HydrophobicContact CG1-CB 4.27Å; V117-A130 VanDerWaalsContact O-CB 3.28Å; V117-A130 WeakPolarHBondContact O-CB 3.43Å; V117-A130 PolarHBondContact O-N 3.28Å; V117-S140 WeakPolarHBondContact CG1-OG 3.36Å; V117-P164 HydrophobicContact CB-CB 4.06Å; V117-P164 HydrophobicContact CG2-CB 4.26Å; V117-I165 VanDerWaalsContact CG2-C 3.46Å; V117-P166 HydrophobicContact CG2-CB 4.41Å; V117-P166 HydrophobicContact CG2-CG 4.01Å
118L85.8Confident63.3Low86 Ų86104.9 Ų104.945%0.4559%0.585SS.*BIsolated β-bridgetrans-88.3153.9-179.7-57.4-179.3000111K116 Q120 A127 E129K116-L118 PolarHBondContact O-N 2.95Å; L118-Q120 PolarHBondContact O-N 3.36Å; L118-A127 HydrophobicContact CB-CB 4.39Å; L118-E129 HydrophobicContact CD2-CG 4.31Å
119C85.5Confident66Low4 Ų4104.8 Ų104.83%0.02757%0.574CS.*PPolyproline II helixtrans-67.4124.1174.9-1780000110.2F121 C122 A127 Q128 S140 C142C119-F121 VanDerWaalsContact C-N 3.29Å; C119-F121 PolarHBondContact O-N 3.4Å; C119-F121 PolarHBondContact SG-N 3.33Å; C119-C122 HydrophobicContact CB-CB 4.26Å; C119-C122 PolarHBondContact SG-SG 2.96Å; C119-A127 WeakPolarHBondContact O-CB 3.35Å; C119-Q128 WeakPolarHBondContact CB-O 3.48Å; C119-Q128 PolarHBondContact N-O 3.49Å; C119-S140 WeakPolarHBondContact CA-O 3.12Å; C119-C142 HydrophobicContact CB-CB 3.77Å; C119-C142 PolarHBondContact SG-N 3.26Å
120Q78.8Confident68.5Low88 Ų8897.7 Ų97.741%0.41154%0.537SS..THydrogen-bonded Turntrans-89.22.2-179.2-64144.4-27.400112.7L118 V139 S140L118-Q120 PolarHBondContact O-N 3.36Å; Q120-V139 HydrophobicContact CB-CG1 4.16Å; Q120-S140 PolarHBondContact N-O 3.31Å
121F81.6Confident70.9Confident114 Ų11494.4 Ų94.450%0.551%0.512SS..THydrogen-bonded Turntrans-120.88.7-176.7-152.5-94.2000112.8C119 Y141 C145 T149C119-F121 VanDerWaalsContact C-N 3.29Å; C119-F121 PolarHBondContact O-N 3.4Å; C119-F121 PolarHBondContact SG-N 3.33Å; F121-Y141 HydrophobicContact CB-CD1 3.86Å; F121-Y141 HydrophobicContact CB-CE1 3.84Å; F121-Y141 HydrophobicContact CD2-CE1 4.25Å; F121-Y141 HydrophobicContact CG-CD1 4.39Å; F121-Y141 AromaticContact CG-CE1 4Å; F121-Y141 HydrophobicContact CG-CE1 4Å; F121-C145 HydrophobicContact CB-CB 4.21Å; F121-C145 HydrophobicContact CD1-CB 4.33Å; F121-C145 PolarHBondContact O-SG 2.92Å; F121-T149 HydrophobicContact CD1-CG2 3.55Å; F121-T149 HydrophobicContact CE1-CG2 3.32Å; F121-T149 HydrophobicContact CE2-CG2 4.34Å; F121-T149 HydrophobicContact CG-CG2 4.18Å; F121-T149 HydrophobicContact CZ-CG2 3.76Å
122C83.9Confident73.3Confident25 Ų2589.6 Ų89.617%0.16949%0.486CS..  trans-83.9133.5175.5-85.20000110.6C119 Q124 A127 C142 C145C119-C122 HydrophobicContact CB-CB 4.26Å; C119-C122 PolarHBondContact SG-SG 2.96Å; C122-Q124 VanDerWaalsContact C-N 3.26Å; C122-Q124 PolarHBondContact O-N 3.45Å; C122-A127 HydrophobicContact CB-CB 4.15Å; C122-C142 PolarHBondContact SG-SG 3.46Å; C122-C145 PolarHBondContact SG-SG 2.95Å
123D72.3Confident75.4Confident176 Ų17684.1 Ų84.194%0.94145%0.448SS*.  trans-85.86.8170.7-65-34.5000113
124Q73.8Confident77.5Confident111 Ų11179 Ų7952%0.51941%0.412SS..SBendtrans-97.3143.2179.5-64.6179.811.700111.4C122 P126 A127C122-Q124 VanDerWaalsContact C-N 3.26Å; C122-Q124 PolarHBondContact O-N 3.45Å; Q124-P126 CarbonylContact O-C 3.5Å; Q124-P126 VanDerWaalsContact O-C 3.3Å; Q124-A127 WeakPolarHBondContact O-CA 3.38Å; Q124-A127 PolarHBondContact O-N 2.94Å
125D67.4Low79.2Confident163 Ų16376.7 Ų76.787%0.87240%0.395SS*.SBendtrans-116.6118.8176.8-170.813.9000111.3
126P71.1Confident79.9Confident103 Ų10373.7 Ų73.767%0.66939%0.386SS*.SBendcis-76150.1-1.431.2-33.6000112.8Q124Q124-P126 CarbonylContact O-C 3.5Å; Q124-P126 VanDerWaalsContact O-C 3.3Å
127A81.4Confident80.1Confident30 Ų3069.1 Ų69.125%0.24837%0.371CS..PPolyproline II helixtrans-60142.2178.700000111.9L118 C119 C122 Q124L118-A127 HydrophobicContact CB-CB 4.39Å; C119-A127 WeakPolarHBondContact O-CB 3.35Å; C122-A127 HydrophobicContact CB-CB 4.15Å; Q124-A127 WeakPolarHBondContact O-CA 3.38Å; Q124-A127 PolarHBondContact O-N 2.94Å
128Q85.8Confident79.9Confident100 Ų10072.5 Ų72.547%0.46739%0.386SS..PPolyproline II helixtrans-66.8154.6-179.1-69.1-66-21.600112.3C119 A130 C142C119-Q128 WeakPolarHBondContact CB-O 3.48Å; C119-Q128 PolarHBondContact N-O 3.49Å; Q128-A130 PolarHBondContact O-N 3.25Å; Q128-C142 HydrophobicContact CB-CB 3.73Å
129E86.6Confident79.6Confident97 Ų9770 Ų7045%0.45337%0.374SS..BIsolated β-bridgetrans-61.9134174.9-68.5-177.8-166.900111K116 L118 C142K116-E129 VanDerWaalsContact CD-OE1 3.26Å; K116-E129 WeakPolarHBondContact CD-OE1 3.38Å; K116-E129 WeakPolarHBondContact CE-OE1 3.41Å; K116-E129 IonicContact NZ-OE1 3.94Å; K116-E129 PolarHBondContact NZ-OE1 3.46Å; L118-E129 HydrophobicContact CD2-CG 4.31Å; E129-C142 WeakPolarHBondContact O-CA 3.33Å; E129-C142 WeakPolarHBondContact O-CB 3.26Å
130A85.9Confident79.7Confident11 Ų1169.9 Ų69.99%0.09137%0.373CS..PPolyproline II helixtrans-73.3136.7176.800000110.3V117 Q128 Y141 P164V117-A130 HydrophobicContact CB-CB 4.45Å; V117-A130 HydrophobicContact CG1-CB 4.27Å; V117-A130 VanDerWaalsContact O-CB 3.28Å; V117-A130 WeakPolarHBondContact O-CB 3.43Å; V117-A130 PolarHBondContact O-N 3.28Å; Q128-A130 PolarHBondContact O-N 3.25Å; A130-Y141 CarbonylContact C-O 3.49Å; A130-Y141 WeakPolarHBondContact CA-O 3.45Å; A130-P164 HydrophobicContact CB-CB 4.37Å; A130-P164 WeakPolarHBondContact O-CG 3.18Å
131V86.7Confident79.9Confident58 Ų5866.3 Ų66.335%0.35236%0.356SS..SBendtrans-103.1-24177.9-60.80000112.4Y141 E143 L146 P164V131-Y141 PolarHBondContact N-O 3.32Å; V131-E143 HydrophobicContact CG1-CB 4.25Å; V131-E143 HydrophobicContact CG2-CB 3.9Å; V131-L146 HydrophobicContact CG2-CD2 4.38Å; V131-P164 VanDerWaalsContact C-CG 3.42Å; V131-P164 WeakPolarHBondContact O-CD 3.32Å; V131-P164 WeakPolarHBondContact O-CG 2.92Å
132K84.1Confident80.3Confident78 Ų7861.1 Ų61.134%0.33933%0.334SS..EExtended strand (participates in β ladder)trans-145.1144.6174-66-65.9176.7-1740110.8Y141 L146 L161 I162K132-Y141 PolarHBondContact N-O 2.91Å; K132-Y141 PolarHBondContact O-N 3.42Å; K132-L146 HydrophobicContact CB-CD2 3.86Å; K132-L146 HydrophobicContact CG-CD2 3.81Å; K132-L161 HydrophobicContact CB-CB 4.39Å; K132-L161 HydrophobicContact CB-CD2 4.07Å; K132-I162 WeakPolarHBondContact CA-O 3.42Å; K132-I162 VanDerWaalsContact CD-O 3.23Å; K132-I162 WeakPolarHBondContact CD-O 3.26Å
133T83.3Confident80.4Confident0 Ų065.1 Ų65.10%035%0.35CS..EExtended strand (participates in β ladder)trans-101.4127.6165.2-59.40000109.1V135 S140 L161 I162 P164 I165 I170T133-V135 PolarHBondContact O-N 3.31Å; T133-S140 PolarHBondContact OG1-OG 3.45Å; T133-L161 WeakPolarHBondContact O-CA 3.4Å; T133-I162 PolarHBondContact N-O 3.49Å; T133-I162 PolarHBondContact O-N 3.43Å; T133-P164 WeakPolarHBondContact OG1-CA 3.49Å; T133-I165 HydrophobicContact CG2-CG1 4.26Å; T133-I165 PolarHBondContact OG1-N 2.92Å; T133-I170 HydrophobicContact CG2-CD1 3.25Å; T133-I170 HydrophobicContact CG2-CG1 3.75Å
134C80.5Confident81.1Confident0 Ų063.5 Ų63.50%034%0.337CS..EExtended strand (participates in β ladder)trans-85.7107.9169.5-174.50000109.1T136 C137 E138 V139 Y141 H150 L161C134-T136 PolarHBondContact O-N 3.3Å; C134-C137 HydrophobicContact CB-CB 4.03Å; C134-C137 PolarHBondContact O-N 2.93Å; C134-C137 PolarHBondContact SG-N 2.85Å; C134-C137 VanDerWaalsContact SG-N 3.39Å; C134-E138 WeakPolarHBondContact O-CA 3.44Å; C134-E138 PolarHBondContact O-N 3.36Å; C134-V139 PolarHBondContact N-O 3.13Å; C134-V139 PolarHBondContact O-N 2.86Å; C134-Y141 HydrophobicContact CB-CD2 4.23Å; C134-Y141 HydrophobicContact CB-CE2 3.73Å; C134-H150 PolarHBondContact SG-NE2 2.96Å; C134-L161 HydrophobicContact CB-CD2 3.59Å
135V75.9Confident81.6Confident58 Ų5859 Ų5935%0.35232%0.318SS..THydrogen-bonded Turntrans-63.9-27178.3-169.60000110.8T133 R160 I162T133-V135 PolarHBondContact O-N 3.31Å; V135-R160 PolarHBondContact N-O 3.04Å; V135-I162 HydrophobicContact CG2-CB 4.44Å; V135-I162 HydrophobicContact CG2-CD1 3.58Å; V135-I162 HydrophobicContact CG2-CG1 3.63Å; V135-I162 HydrophobicContact CG2-CG2 4.03Å
136T74.5Confident82.5Confident79 Ų7952.4 Ų52.449%0.48528%0.282SS..THydrogen-bonded Turntrans-77.5-33.8179.8-47.20000112.9C134 R160C134-T136 PolarHBondContact O-N 3.3Å; T136-R160 PolarHBondContact OG1-N 3.29Å; T136-R160 VanDerWaalsContact OG1-N 3.08Å
137C75.8Confident83.1Confident47 Ų4753.6 Ų53.632%0.31828%0.277SS..THydrogen-bonded Turntrans-94.5-8.3175.6-64.20000113.2C134 V139 H150 H159C134-C137 HydrophobicContact CB-CB 4.03Å; C134-C137 PolarHBondContact O-N 2.93Å; C134-C137 PolarHBondContact SG-N 2.85Å; C134-C137 VanDerWaalsContact SG-N 3.39Å; C137-V139 HydrophobicContact CB-CB 4.44Å; C137-V139 WeakPolarHBondContact O-CG2 3.46Å; C137-V139 PolarHBondContact O-N 3.07Å; C137-H150 PolarHBondContact SG-NE2 2.77Å; C137-H150 VanDerWaalsContact SG-NE2 3.45Å; C137-H159 PolarHBondContact SG-CE1 2.67Å; C137-H159 PolarHBondContact SG-ND1 3.27Å
138E78.3Confident83.2Confident94 Ų9456 Ų5644%0.43930%0.296SS..THydrogen-bonded Turntrans53.833.1-172.7-57.4-174.1170.100113.6C134 I170C134-E138 WeakPolarHBondContact O-CA 3.44Å; C134-E138 PolarHBondContact O-N 3.36Å; E138-I170 HydrophobicContact CB-CG2 4.2Å; E138-I170 HydrophobicContact CG-CG2 4.26Å
139V79.4Confident82.7Confident35 Ų3552.4 Ų52.421%0.21228%0.281CS..EExtended strand (participates in β ladder)trans-131.9139.1-175.1172.40000110.7Q120 C134 C137 Y141Q120-V139 HydrophobicContact CB-CG1 4.16Å; C134-V139 PolarHBondContact N-O 3.13Å; C134-V139 PolarHBondContact O-N 2.86Å; C137-V139 HydrophobicContact CB-CB 4.44Å; C137-V139 WeakPolarHBondContact O-CG2 3.46Å; C137-V139 PolarHBondContact O-N 3.07Å; V139-Y141 HydrophobicContact CB-CE1 4.38Å; V139-Y141 HydrophobicContact CB-CE2 3.85Å; V139-Y141 HydrophobicContact CG1-CD1 4.11Å; V139-Y141 HydrophobicContact CG1-CD2 4.28Å; V139-Y141 HydrophobicContact CG1-CE1 3.59Å; V139-Y141 HydrophobicContact CG1-CE2 3.79Å; V139-Y141 HydrophobicContact CG1-CG 4.43Å; V139-Y141 VanDerWaalsContact CG1-CZ 3.42Å; V139-Y141 WeakPolarHBondContact O-CD2 3.39Å; V139-Y141 VanDerWaalsContact O-CE2 3.31Å; V139-Y141 WeakPolarHBondContact O-CE2 3.25Å
140S86Confident82.4Confident0 Ų048.6 Ų48.60%026%0.264CS..EExtended strand (participates in β ladder)trans-95.1127.9175-67.20000110.7V117 C119 Q120 T133V117-S140 WeakPolarHBondContact CG1-OG 3.36Å; C119-S140 WeakPolarHBondContact CA-O 3.12Å; Q120-S140 PolarHBondContact N-O 3.31Å; T133-S140 PolarHBondContact OG1-OG 3.45Å
141Y84.8Confident81.9Confident13 Ų1350.7 Ų50.75%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-119.9137.4-173.5-59.9-82.6000111.3F121 A130 V131 K132 C134 V139 C145 L146 T149 H150F121-Y141 HydrophobicContact CB-CD1 3.86Å; F121-Y141 HydrophobicContact CB-CE1 3.84Å; F121-Y141 HydrophobicContact CD2-CE1 4.25Å; F121-Y141 HydrophobicContact CG-CD1 4.39Å; F121-Y141 AromaticContact CG-CE1 4Å; F121-Y141 HydrophobicContact CG-CE1 4Å; A130-Y141 CarbonylContact C-O 3.49Å; A130-Y141 WeakPolarHBondContact CA-O 3.45Å; V131-Y141 PolarHBondContact N-O 3.32Å; K132-Y141 PolarHBondContact N-O 2.91Å; K132-Y141 PolarHBondContact O-N 3.42Å; C134-Y141 HydrophobicContact CB-CD2 4.23Å; C134-Y141 HydrophobicContact CB-CE2 3.73Å; V139-Y141 HydrophobicContact CB-CE1 4.38Å; V139-Y141 HydrophobicContact CB-CE2 3.85Å; V139-Y141 HydrophobicContact CG1-CD1 4.11Å; V139-Y141 HydrophobicContact CG1-CD2 4.28Å; V139-Y141 HydrophobicContact CG1-CE1 3.59Å; V139-Y141 HydrophobicContact CG1-CE2 3.79Å; V139-Y141 HydrophobicContact CG1-CG 4.43Å; V139-Y141 VanDerWaalsContact CG1-CZ 3.42Å; V139-Y141 WeakPolarHBondContact O-CD2 3.39Å; V139-Y141 VanDerWaalsContact O-CE2 3.31Å; V139-Y141 WeakPolarHBondContact O-CE2 3.25Å; Y141-C145 HydrophobicContact CD1-CB 4.16Å; Y141-L146 HydrophobicContact CD2-CD1 3.99Å; Y141-L146 HydrophobicContact CG-CB 4.47Å; Y141-L146 HydrophobicContact CG-CD1 4.24Å; Y141-T149 HydrophobicContact CE1-CG2 4Å; Y141-T149 WeakPolarHBondContact CE1-OG1 3.38Å; Y141-H150 AromaticContact CE2-CE1 3.48Å; Y141-H150 VanDerWaalsContact CE2-CE1 3.48Å; Y141-H150 WeakPolarHBondContact CE2-CE1 3.39Å; Y141-H150 AromaticContact CE2-ND1 3.94Å; Y141-H150 AromaticContact CZ-CE1 3.67Å
142C87.9Confident81.1Confident6 Ų655.6 Ų55.64%0.04130%0.3CS..  trans-68.5169160.675.70000109.8C119 C122 Q128 E129 E144 C145 L146C119-C142 HydrophobicContact CB-CB 3.77Å; C119-C142 PolarHBondContact SG-N 3.26Å; C122-C142 PolarHBondContact SG-SG 3.46Å; Q128-C142 HydrophobicContact CB-CB 3.73Å; E129-C142 WeakPolarHBondContact O-CA 3.33Å; E129-C142 WeakPolarHBondContact O-CB 3.26Å; C142-E144 VanDerWaalsContact C-N 3.27Å; C142-E144 PolarHBondContact O-N 3.09Å; C142-C145 PolarHBondContact O-N 3.31Å; C142-C145 PolarHBondContact SG-N 3.14Å; C142-C145 VanDerWaalsContact SG-N 3.42Å; C142-C145 VanDerWaalsContact SG-SG 3.64Å; C142-L146 WeakPolarHBondContact O-CB 3.47Å; C142-L146 PolarHBondContact O-N 2.91Å
143E88Confident80.6Confident108 Ų10859.5 Ų59.551%0.50532%0.317SS..Hα-helixtrans-62.1-35-173.5-168.2164.717300113.5V131 K147V131-E143 HydrophobicContact CG1-CB 4.25Å; V131-E143 HydrophobicContact CG2-CB 3.9Å; E143-K147 HydrophobicContact CG-CD 4.44Å; E143-K147 WeakPolarHBondContact O-CG 3.45Å; E143-K147 PolarHBondContact O-N 2.9Å; E143-K147 WeakPolarHBondContact OE1-CE 3.47Å; E143-K147 IonicContact OE1-NZ 2.66Å; E143-K147 PolarHBondContact OE1-NZ 2.92Å
144E85.5Confident79.3Confident142 Ų14268.5 Ų68.566%0.66436%0.357SS*.Hα-helixtrans-71.9-51.7178.6-65.1-174.7170.600111.8C142 L146 K147 A148C142-E144 VanDerWaalsContact C-N 3.27Å; C142-E144 PolarHBondContact O-N 3.09Å; E144-L146 VanDerWaalsContact C-N 3.26Å; E144-L146 PolarHBondContact O-N 2.74Å; E144-K147 PolarHBondContact O-N 2.84Å; E144-A148 WeakPolarHBondContact O-CB 3.39Å; E144-A148 PolarHBondContact O-N 2.9Å
145C85.6Confident78.1Confident18 Ų1873.1 Ų73.112%0.12239%0.386CS..Hα-helixtrans-63.8-32.3177.9-66.90000111.9F121 C122 Y141 C142 A148 T149F121-C145 HydrophobicContact CB-CB 4.21Å; F121-C145 HydrophobicContact CD1-CB 4.33Å; F121-C145 PolarHBondContact O-SG 2.92Å; C122-C145 PolarHBondContact SG-SG 2.95Å; Y141-C145 HydrophobicContact CD1-CB 4.16Å; C142-C145 PolarHBondContact O-N 3.31Å; C142-C145 PolarHBondContact SG-N 3.14Å; C142-C145 VanDerWaalsContact SG-N 3.42Å; C142-C145 VanDerWaalsContact SG-SG 3.64Å; C145-A148 PolarHBondContact O-N 2.89Å; C145-T149 WeakPolarHBondContact O-CB 3.44Å; C145-T149 WeakPolarHBondContact O-CG2 3.29Å; C145-T149 PolarHBondContact O-N 3.39Å; C145-T149 PolarHBondContact O-OG1 3.2Å
146L85.4Confident77.6Confident23 Ų2374.2 Ų74.212%0.1239%0.387CS..Hα-helixtrans-64.5-48174.3-177.167000110.9V131 K132 Y141 C142 E144 A148 T149 H150 L161V131-L146 HydrophobicContact CG2-CD2 4.38Å; K132-L146 HydrophobicContact CB-CD2 3.86Å; K132-L146 HydrophobicContact CG-CD2 3.81Å; Y141-L146 HydrophobicContact CD2-CD1 3.99Å; Y141-L146 HydrophobicContact CG-CB 4.47Å; Y141-L146 HydrophobicContact CG-CD1 4.24Å; C142-L146 WeakPolarHBondContact O-CB 3.47Å; C142-L146 PolarHBondContact O-N 2.91Å; E144-L146 VanDerWaalsContact C-N 3.26Å; E144-L146 PolarHBondContact O-N 2.74Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.41Å; L146-T149 PolarHBondContact O-N 3.49Å; L146-H150 HydrophobicContact CD1-CB 4.16Å; L146-H150 CarbonylContact O-C 3.58Å; L146-H150 VanDerWaalsContact O-CA 3.32Å; L146-H150 WeakPolarHBondContact O-CA 3.29Å; L146-H150 WeakPolarHBondContact O-CB 3.48Å; L146-H150 PolarHBondContact O-N 2.89Å; L146-L161 HydrophobicContact CD1-CD1 3.96Å; L146-L161 HydrophobicContact CD1-CD2 3.5Å; L146-L161 HydrophobicContact CD1-CG 4.41Å; L146-L161 HydrophobicContact CD2-CD1 4.47Å
147K83.9Confident77.3Confident129 Ų12974.3 Ų74.356%0.56139%0.387SS*.Hα-helixtrans-64.5-34.4177.9-73.8171-172.6164.30112.1E143 E144E143-K147 HydrophobicContact CG-CD 4.44Å; E143-K147 WeakPolarHBondContact O-CG 3.45Å; E143-K147 PolarHBondContact O-N 2.9Å; E143-K147 WeakPolarHBondContact OE1-CE 3.47Å; E143-K147 IonicContact OE1-NZ 2.66Å; E143-K147 PolarHBondContact OE1-NZ 2.92Å; E144-K147 PolarHBondContact O-N 2.84Å
148A83.2Confident76.8Confident79 Ų7975.2 Ų75.265%0.65340%0.404SS*.Hα-helixtrans-71.1-43.4178.200000112.8E144 C145 L146E144-A148 WeakPolarHBondContact O-CB 3.39Å; E144-A148 PolarHBondContact O-N 2.9Å; C145-A148 PolarHBondContact O-N 2.89Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.41Å
149T75.7Confident76.8Confident25 Ų2573.2 Ų73.215%0.15340%0.395CS..Hα-helixtrans-89.6-29.4-175.858.10000113.6F121 Y141 C145 L146 P151F121-T149 HydrophobicContact CD1-CG2 3.55Å; F121-T149 HydrophobicContact CE1-CG2 3.32Å; F121-T149 HydrophobicContact CE2-CG2 4.34Å; F121-T149 HydrophobicContact CG-CG2 4.18Å; F121-T149 HydrophobicContact CZ-CG2 3.76Å; Y141-T149 HydrophobicContact CE1-CG2 4Å; Y141-T149 WeakPolarHBondContact CE1-OG1 3.38Å; C145-T149 WeakPolarHBondContact O-CB 3.44Å; C145-T149 WeakPolarHBondContact O-CG2 3.29Å; C145-T149 PolarHBondContact O-N 3.39Å; C145-T149 PolarHBondContact O-OG1 3.2Å; L146-T149 PolarHBondContact O-N 3.49Å; T149-P151 WeakPolarHBondContact O-CD 3.48Å
150H80.1Confident76.6Confident18 Ų1880.1 Ų80.18%0.08342%0.417CS..SBendtrans-122.760.9178.2-63.173.9000111.1C134 C137 Y141 L146 F156 H159C134-H150 PolarHBondContact SG-NE2 2.96Å; C137-H150 PolarHBondContact SG-NE2 2.77Å; C137-H150 VanDerWaalsContact SG-NE2 3.45Å; Y141-H150 AromaticContact CE2-CE1 3.48Å; Y141-H150 VanDerWaalsContact CE2-CE1 3.48Å; Y141-H150 WeakPolarHBondContact CE2-CE1 3.39Å; Y141-H150 AromaticContact CE2-ND1 3.94Å; Y141-H150 AromaticContact CZ-CE1 3.67Å; L146-H150 HydrophobicContact CD1-CB 4.16Å; L146-H150 CarbonylContact O-C 3.58Å; L146-H150 VanDerWaalsContact O-CA 3.32Å; L146-H150 WeakPolarHBondContact O-CA 3.29Å; L146-H150 WeakPolarHBondContact O-CB 3.48Å; L146-H150 PolarHBondContact O-N 2.89Å; H150-F156 HydrophobicContact CB-CB 4.45Å; H150-H159 AromaticContact CD2-CG 3.95Å; H150-H159 AromaticContact CD2-ND1 3.53Å; H150-H159 AromaticContact NE2-CG 3.79Å; H150-H159 AromaticContact NE2-ND1 2.99Å; H150-H159 PolarHBondContact NE2-ND1 2.95Å
151P74.9Confident76.5Confident54 Ų5483.4 Ų83.435%0.35143%0.434SS..  trans-63.7148.2170.627.8-32.4000109.3T149 K153T149-P151 WeakPolarHBondContact O-CD 3.48Å; P151-K153 PolarHBondContact O-N 3.16Å
152N70.8Confident76.2Confident161 Ų16185.2 Ų85.286%0.86144%0.444SS*.SBendtrans-67.754.3179.9-84.6-16.9000113.2
153K72.3Confident75.8Confident160 Ų16092.1 Ų92.170%0.69648%0.476SS*.SBendtrans-141.5147.8177.5-63.2-173.6-178.2178.90108.7P151 F156P151-K153 PolarHBondContact O-N 3.16Å; K153-F156 PolarHBondContact O-N 2.87Å
154K56.2Low75.3Confident190 Ų19089.2 Ų89.283%0.82647%0.466SS*.THydrogen-bonded Turntrans-60.1138.8175.3-67.2-174.7178.6-176.90109.4
155P55.8Low74.6Confident96 Ų9684.6 Ų84.662%0.62345%0.446SS*.THydrogen-bonded Turncis-92.5-9.81834.4-34000116.2T157P155-T157 VanDerWaalsContact C-N 3.34Å; P155-T157 PolarHBondContact O-N 3.44Å
156F65.2Low73.7Confident82 Ų8285 Ų8536%0.3645%0.448SS..G310 helixtrans-80.2-7-164.7-56.4-71.4000115.8H150 K153 G158 H159H150-F156 HydrophobicContact CB-CB 4.45Å; K153-F156 PolarHBondContact O-N 2.87Å; F156-G158 PolarHBondContact O-N 2.49Å; F156-G158 VanDerWaalsContact O-N 3.12Å; F156-H159 AromaticContact CD1-CE1 3.79Å; F156-H159 WeakPolarHBondContact O-CB 3.4Å; F156-H159 PolarHBondContact O-N 3.17Å
157T69.4Low72.4Confident81 Ų8186.7 Ų86.750%0.49746%0.458SS..G310 helixtrans-65.3-11.4174.7550000113.7P155P155-T157 VanDerWaalsContact C-N 3.34Å; P155-T157 PolarHBondContact O-N 3.44Å
158G64.3Low71.2Confident65 Ų6584.2 Ų84.267%0.6746%0.456SS*.G310 helixtrans-90.6-2.8176.400000114.8F156F156-G158 PolarHBondContact O-N 2.49Å; F156-G158 VanDerWaalsContact O-N 3.12Å
159H78.7Confident69.9Low53 Ų5386.4 Ų86.425%0.24545%0.453CS..SBendtrans-84137.3-177.4-74.6-157.5000111.5C137 H150 F156C137-H159 PolarHBondContact SG-CE1 2.67Å; C137-H159 PolarHBondContact SG-ND1 3.27Å; H150-H159 AromaticContact CD2-CG 3.95Å; H150-H159 AromaticContact CD2-ND1 3.53Å; H150-H159 AromaticContact NE2-CG 3.79Å; H150-H159 AromaticContact NE2-ND1 2.99Å; H150-H159 PolarHBondContact NE2-ND1 2.95Å; F156-H159 AromaticContact CD1-CE1 3.79Å; F156-H159 WeakPolarHBondContact O-CB 3.4Å; F156-H159 PolarHBondContact O-N 3.17Å
160R76.1Confident69Low179 Ų17986.2 Ų86.268%0.67545%0.451SS*.  trans-91.2112.9-177-174.5178.6177.1-173-1.8110.9V135 T136 I162V135-R160 PolarHBondContact N-O 3.04Å; T136-R160 PolarHBondContact OG1-N 3.29Å; T136-R160 VanDerWaalsContact OG1-N 3.08Å; R160-I162 HydrophobicContact CG-CG2 4.48Å
161L82.1Confident67.9Low69 Ų6991.7 Ų91.736%0.36147%0.471SS..EExtended strand (participates in β ladder)trans-100.2127.9178.3-66.4163000110.9K132 T133 C134 L146K132-L161 HydrophobicContact CB-CB 4.39Å; K132-L161 HydrophobicContact CB-CD2 4.07Å; T133-L161 WeakPolarHBondContact O-CA 3.4Å; C134-L161 HydrophobicContact CB-CD2 3.59Å; L146-L161 HydrophobicContact CD1-CD1 3.96Å; L146-L161 HydrophobicContact CD1-CD2 3.5Å; L146-L161 HydrophobicContact CD1-CG 4.41Å; L146-L161 HydrophobicContact CD2-CD1 4.47Å
162I79.7Confident67.2Low51 Ų5190.6 Ų90.626%0.26247%0.469SS..EExtended strand (participates in β ladder)trans-122.8176176.961.8170.5000110.9K132 T133 V135 R160 I165K132-I162 WeakPolarHBondContact CA-O 3.42Å; K132-I162 VanDerWaalsContact CD-O 3.23Å; K132-I162 WeakPolarHBondContact CD-O 3.26Å; T133-I162 PolarHBondContact N-O 3.49Å; T133-I162 PolarHBondContact O-N 3.43Å; V135-I162 HydrophobicContact CG2-CB 4.44Å; V135-I162 HydrophobicContact CG2-CD1 3.58Å; V135-I162 HydrophobicContact CG2-CG1 3.63Å; V135-I162 HydrophobicContact CG2-CG2 4.03Å; R160-I162 HydrophobicContact CG-CG2 4.48Å; I162-I165 HydrophobicContact CD1-CD1 3.68Å; I162-I165 HydrophobicContact CD1-CG1 4.03Å
163E78.7Confident67.1Low151 Ų15188.4 Ų88.471%0.70646%0.457SS*.SBendtrans-58.9148.5172.7-67.9-173.5168.900111.5I165E163-I165 PolarHBondContact O-N 3.45Å; E163-I165 VanDerWaalsContact O-N 3.11Å
164P77.3Confident67.3Low47 Ų4783.8 Ų83.831%0.30544%0.438SS..  trans-57.8116.5-177.1-20.130.9000110.8V117 A130 V131 T133V117-P164 HydrophobicContact CB-CB 4.06Å; V117-P164 HydrophobicContact CG2-CB 4.26Å; A130-P164 HydrophobicContact CB-CB 4.37Å; A130-P164 WeakPolarHBondContact O-CG 3.18Å; V131-P164 VanDerWaalsContact C-CG 3.42Å; V131-P164 WeakPolarHBondContact O-CD 3.32Å; V131-P164 WeakPolarHBondContact O-CG 2.92Å; T133-P164 WeakPolarHBondContact OG1-CA 3.49Å
165I71.4Confident68.3Low46 Ų4675 Ų7524%0.23640%0.401CS..  trans-115140.9174.849162.9000109.3V117 T133 I162 E163 H169 I170V117-I165 VanDerWaalsContact CG2-C 3.46Å; T133-I165 HydrophobicContact CG2-CG1 4.26Å; T133-I165 PolarHBondContact OG1-N 2.92Å; I162-I165 HydrophobicContact CD1-CD1 3.68Å; I162-I165 HydrophobicContact CD1-CG1 4.03Å; E163-I165 PolarHBondContact O-N 3.45Å; E163-I165 VanDerWaalsContact O-N 3.11Å; I165-H169 HydrophobicContact CB-CB 4.08Å; I165-H169 HydrophobicContact CD1-CB 4.1Å; I165-I170 HydrophobicContact CD1-CB 4.2Å; I165-I170 HydrophobicContact CD1-CG1 3.42Å; I165-I170 VanDerWaalsContact CD1-CG1 3.42Å; I165-I170 HydrophobicContact CG1-CD1 4.27Å; I165-I170 HydrophobicContact CG1-CG1 3.49Å; I165-I170 VanDerWaalsContact CG1-CG1 3.49Å
166P66.7Low69.2Low26 Ų2678.5 Ų78.517%0.16941%0.413CS..  trans-53.7149.4175.3-24.632.2000110.8V117 S168 H169V117-P166 HydrophobicContact CG2-CB 4.41Å; V117-P166 HydrophobicContact CG2-CG 4.01Å; P166-S168 PolarHBondContact O-N 3.33Å; P166-H169 PolarHBondContact O-N 3.45Å
167D59Low69.5Low59 Ų5977.8 Ų77.832%0.31641%0.411SS..Hα-helixtrans-52.9-32.2-175.2-151.7-5.2000112.2H169 I170 R171D167-H169 VanDerWaalsContact C-N 3.31Å; D167-H169 PolarHBondContact O-N 2.92Å; D167-I170 PolarHBondContact O-N 3.22Å; D167-R171 PolarHBondContact O-N 2.88Å; D167-R171 IonicContact OD1-NE 3.04Å; D167-R171 IonicContact OD1-NH2 3.77Å; D167-R171 IonicContact OD2-NH2 2.73Å
168S56.9Low69.8Low76 Ų7676.3 Ų76.353%0.53140%0.398SS..Hα-helixtrans-62.2-26.3174.453.30000115.4P166P166-S168 PolarHBondContact O-N 3.33Å
169H57.5Low70.1Confident126 Ų12681.1 Ų81.158%0.58340%0.403SS*.Hα-helixtrans-92.1-19.3178.5-71.6108.1000113.2I165 P166 D167I165-H169 HydrophobicContact CB-CB 4.08Å; I165-H169 HydrophobicContact CD1-CB 4.1Å; P166-H169 PolarHBondContact O-N 3.45Å; D167-H169 VanDerWaalsContact C-N 3.31Å; D167-H169 PolarHBondContact O-N 2.92Å
170I57.2Low69.9Low21 Ų2185.9 Ų85.911%0.10843%0.43CS..Hα-helixtrans-76.8-42.3179.3-56.5167.5000110.4T133 E138 I165 D167 G172T133-I170 HydrophobicContact CG2-CD1 3.25Å; T133-I170 HydrophobicContact CG2-CG1 3.75Å; E138-I170 HydrophobicContact CB-CG2 4.2Å; E138-I170 HydrophobicContact CG-CG2 4.26Å; I165-I170 HydrophobicContact CD1-CB 4.2Å; I165-I170 HydrophobicContact CD1-CG1 3.42Å; I165-I170 VanDerWaalsContact CD1-CG1 3.42Å; I165-I170 HydrophobicContact CG1-CD1 4.27Å; I165-I170 HydrophobicContact CG1-CG1 3.49Å; I165-I170 VanDerWaalsContact CG1-CG1 3.49Å; D167-I170 PolarHBondContact O-N 3.22Å; I170-G172 PolarHBondContact O-N 3.02Å
171R56.6Low70Confident133 Ų13380.6 Ų80.650%0.50241%0.414SS..SBendtrans-74-11.7-177.8-63.9-174.7-168.4-158.42113.2D167 K182D167-R171 PolarHBondContact O-N 2.88Å; D167-R171 IonicContact OD1-NE 3.04Å; D167-R171 IonicContact OD1-NH2 3.77Å; D167-R171 IonicContact OD2-NH2 2.73Å; R171-K182 WeakPolarHBondContact O-CD 3.25Å; R171-K182 WeakPolarHBondContact O-CE 3.29Å; R171-K182 PolarHBondContact O-NZ 3.4Å
172G60.7Low69.9Low30 Ų3082.4 Ų82.431%0.30942%0.418SS..  trans82.1162.7-169.100000111I170 M174I170-G172 PolarHBondContact O-N 3.02Å; G172-M174 PolarHBondContact O-N 3.14Å
173L68.6Low69.9Low116 Ų11681 Ų8161%0.60741%0.413SS*.PPolyproline II helixtrans-61.4121.2176.1-76.2165.7000109.2V183 L193L173-V183 HydrophobicContact CB-CG2 3.57Å; L173-V183 WeakPolarHBondContact O-CG2 3.38Å; L173-V183 PolarHBondContact O-N 2.82Å; L173-L193 HydrophobicContact CD1-CD1 3.89Å
174M75.8Confident70Confident63 Ų6377.7 Ų77.731%0.3140%0.399SS..BIsolated β-bridgetrans-86.1151.5176.2-57.3-54.4-70.500110G172 L176 E179 D180 E181 K182G172-M174 PolarHBondContact O-N 3.14Å; M174-L176 PolarHBondContact O-N 3.12Å; M174-E179 WeakPolarHBondContact CE-O 3.47Å; M174-D180 WeakPolarHBondContact CE-O 3.47Å; M174-E181 VanDerWaalsContact CE-C 3.46Å; M174-K182 HydrophobicContact CE-CG 4.28Å; M174-K182 HydrophobicContact SD-CG 3.81Å
175C77.1Confident70.2Confident6 Ų677.3 Ų77.34%0.04139%0.394CS..PPolyproline II helixtrans-69132.1177.7-1780000110.5E177 H178 E181 V183 C195 C198C175-E177 PolarHBondContact O-N 3.5Å; C175-E177 VanDerWaalsContact O-N 3.15Å; C175-E177 PolarHBondContact SG-N 2.94Å; C175-H178 HydrophobicContact CB-CB 4.14Å; C175-H178 CarbonylContact O-C 3.56Å; C175-H178 PolarHBondContact O-N 2.99Å; C175-E181 WeakPolarHBondContact CB-O 3.35Å; C175-E181 PolarHBondContact N-O 3.07Å; C175-V183 HydrophobicContact CB-CG1 4.14Å; C175-C195 HydrophobicContact CB-CB 3.76Å; C175-C195 VanDerWaalsContact SG-SG 3.63Å; C175-C198 PolarHBondContact SG-SG 2.94Å
176L74.2Confident70.9Confident168 Ų16876.7 Ų76.788%0.8839%0.389SS*.SBendtrans-63.2-19.8178.9-62.4175.4000113.4M174M174-L176 PolarHBondContact O-N 3.12Å
177E72.6Confident71.8Confident68 Ų6875.4 Ų75.432%0.31838%0.381SS..SBendtrans-102.2-20.7178.3-56.5-165.1137.900113.6C175 C198 R203C175-E177 PolarHBondContact O-N 3.5Å; C175-E177 VanDerWaalsContact O-N 3.15Å; C175-E177 PolarHBondContact SG-N 2.94Å; E177-C198 PolarHBondContact OE2-SG 2.89Å; E177-C198 VanDerWaalsContact OE2-SG 3.39Å; E177-R203 IonicContact OE1-CZ 3.67Å; E177-R203 IonicContact OE1-NE 3.72Å; E177-R203 PolarHBondContact OE1-NE 3.19Å; E177-R203 IonicContact OE1-NH2 2.82Å; E177-R203 PolarHBondContact OE1-NH2 3.19Å
178H75.1Confident73Confident50 Ų5075.2 Ų75.223%0.23138%0.382CS..  trans-134.290.1-175.1-57.396.8000107.8C175 D180 E181 C195 C198C175-H178 HydrophobicContact CB-CB 4.14Å; C175-H178 CarbonylContact O-C 3.56Å; C175-H178 PolarHBondContact O-N 2.99Å; H178-D180 PolarHBondContact O-N 3.46Å; H178-D180 VanDerWaalsContact O-N 3.1Å; H178-E181 HydrophobicContact CB-CB 3.86Å; H178-E181 HydrophobicContact CB-CG 3.98Å; H178-E181 PolarHBondContact O-N 2.88Å; H178-C195 PolarHBondContact ND1-SG 2.85Å; H178-C198 VanDerWaalsContact CE1-SG 3.5Å; H178-C198 PolarHBondContact ND1-SG 3.41Å
179E70.9Confident74.4Confident165 Ų16575.4 Ų75.477%0.77138%0.38SS*.THydrogen-bonded Turntrans-58.8-27.4-168-63.9-177.2170.300113.5M174M174-E179 WeakPolarHBondContact CE-O 3.47Å
180D74.7Confident75.5Confident153 Ų15372 Ų7282%0.81837%0.366SS*.THydrogen-bonded Turntrans-93.9-2.4179.4-64.5-45.3000114.3M174 H178M174-D180 WeakPolarHBondContact CE-O 3.47Å; H178-D180 PolarHBondContact O-N 3.46Å; H178-D180 VanDerWaalsContact O-N 3.1Å
181E77.7Confident76.7Confident69 Ų6975.7 Ų75.732%0.32239%0.386SS..SBendtrans-106132.3-177.8-72.7-69150.400113M174 C175 H178 C195 L197M174-E181 VanDerWaalsContact CE-C 3.46Å; C175-E181 WeakPolarHBondContact CB-O 3.35Å; C175-E181 PolarHBondContact N-O 3.07Å; H178-E181 HydrophobicContact CB-CB 3.86Å; H178-E181 HydrophobicContact CB-CG 3.98Å; H178-E181 PolarHBondContact O-N 2.88Å; E181-C195 HydrophobicContact CB-CB 3.66Å; E181-L197 HydrophobicContact CG-CB 4.47Å; E181-L197 HydrophobicContact CG-CD1 3.41Å; E181-L197 VanDerWaalsContact CG-CD1 3.41Å; E181-L197 HydrophobicContact CG-CG 3.75Å
182K78.8Confident77.8Confident106 Ų10674 Ų7446%0.46138%0.384SS..BIsolated β-bridgetrans-75.1137.8175.7-60.6-172.4-174.7-159.30110.5R171 M174 N184 C195R171-K182 WeakPolarHBondContact O-CD 3.25Å; R171-K182 WeakPolarHBondContact O-CE 3.29Å; R171-K182 PolarHBondContact O-NZ 3.4Å; M174-K182 HydrophobicContact CE-CG 4.28Å; M174-K182 HydrophobicContact SD-CG 3.81Å; K182-N184 PolarHBondContact O-N 2.62Å; K182-C195 VanDerWaalsContact O-CB 3.25Å; K182-C195 WeakPolarHBondContact O-CB 3.37Å
183V81.3Confident78.9Confident23 Ų2376.3 Ų76.314%0.13939%0.388CS..  trans-67129.1171-54.60000109.3L173 C175 L193 I194L173-V183 HydrophobicContact CB-CG2 3.57Å; L173-V183 WeakPolarHBondContact O-CG2 3.38Å; L173-V183 PolarHBondContact O-N 2.82Å; C175-V183 HydrophobicContact CB-CG1 4.14Å; V183-L193 HydrophobicContact CB-CB 4.19Å; V183-L193 HydrophobicContact CG1-CB 4.26Å; V183-L193 HydrophobicContact CG2-CB 4.2Å; V183-I194 WeakPolarHBondContact CA-O 3.27Å
184N80.1Confident79.6Confident80 Ų8071 Ų7143%0.42836%0.36SS..  trans-139.6-2.7-176.863.52.6000113.1K182 I194 A196 L212K182-N184 PolarHBondContact O-N 2.62Å; N184-I194 PolarHBondContact N-O 3.14Å; N184-A196 PolarHBondContact OD1-N 3.04Å; N184-L212 VanDerWaalsContact CA-CD1 3.46Å; N184-L212 WeakPolarHBondContact O-CG 3.37Å
185M81.4Confident80Confident40 Ų4068 Ų6820%0.19735%0.345CS..EExtended strand (participates in β ladder)trans-135.4157.3179.1-69.7-176.3-64.500111.2I194 C195 A196 K199 V209M185-I194 HydrophobicContact CB-CD1 4.34Å; M185-I194 HydrophobicContact CB-CG1 3.91Å; M185-I194 PolarHBondContact N-O 2.86Å; M185-I194 PolarHBondContact O-N 2.83Å; M185-I194 VanDerWaalsContact O-O 3.08Å; M185-C195 VanDerWaalsContact CE-O 3.26Å; M185-C195 WeakPolarHBondContact CE-O 3.28Å; M185-A196 VanDerWaalsContact CE-CA 3.46Å; M185-A196 HydrophobicContact CE-CB 4.42Å; M185-K199 HydrophobicContact CE-CB 3.65Å; M185-K199 HydrophobicContact CE-CG 4.34Å; M185-V209 HydrophobicContact SD-CG2 4.29Å
186Y85.2Confident80.3Confident32 Ų3268.9 Ų68.913%0.12535%0.354CS..EExtended strand (participates in β ladder)trans-110.2122.4173.2-163.8-93.4000109.8V188 D191 L193 V209 A210 L212 R215Y186-V188 HydrophobicContact CD1-CG2 4.35Å; Y186-V188 PolarHBondContact O-N 2.93Å; Y186-D191 WeakPolarHBondContact CE1-OD1 3.44Å; Y186-D191 VanDerWaalsContact CZ-OD1 3.31Å; Y186-D191 PolarHBondContact OH-OD1 3.35Å; Y186-L193 HydrophobicContact CD2-CD2 3.87Å; Y186-L193 HydrophobicContact CE2-CD2 4.39Å; Y186-V209 CarbonylContact O-C 3.35Å; Y186-V209 WeakPolarHBondContact O-CA 3.49Å; Y186-A210 PolarHBondContact N-O 2.77Å; Y186-A210 PolarHBondContact O-N 3.38Å; Y186-L212 HydrophobicContact CD2-CD2 4.41Å; Y186-R215 HydrophobicContact CD1-CG 4.04Å; Y186-R215 HydrophobicContact CD2-CG 4.14Å; Y186-R215 HydrophobicContact CE1-CG 4.27Å; Y186-R215 HydrophobicContact CE2-CG 4.37Å; Y186-R215 HydrophobicContact CG-CB 4.43Å; Y186-R215 HydrophobicContact CG-CG 3.96Å
187C86.1Confident80.8Confident0 Ų063.8 Ų63.80%033%0.327CS..EExtended strand (participates in β ladder)trans-78.9113.3168.1-169.20000109.3T189 D190 D191 Q192 I194 H207C187-T189 VanDerWaalsContact C-N 3.33Å; C187-D190 PolarHBondContact SG-OD2 3.48Å; C187-D191 VanDerWaalsContact O-CA 3.31Å; C187-D191 WeakPolarHBondContact O-CA 3.36Å; C187-D191 PolarHBondContact O-N 3.49Å; C187-Q192 PolarHBondContact N-O 2.93Å; C187-Q192 PolarHBondContact O-N 3.1Å; C187-I194 HydrophobicContact CB-CD1 4.09Å; C187-I194 HydrophobicContact CB-CG1 4.37Å; C187-I194 HydrophobicContact CB-CG2 4.15Å; C187-H207 VanDerWaalsContact SG-CB 3.51Å
188V85.5Confident81.4Confident55 Ų5560.6 Ų60.633%0.33331%0.312SS..THydrogen-bonded Turntrans-72.1-32.2178-177.40000110.8Y186 Q208 A210Y186-V188 HydrophobicContact CD1-CG2 4.35Å; Y186-V188 PolarHBondContact O-N 2.93Å; V188-Q208 HydrophobicContact CB-CB 4.4Å; V188-Q208 HydrophobicContact CB-CG 4.44Å; V188-Q208 PolarHBondContact N-O 3.27Å; V188-A210 HydrophobicContact CG2-CB 3.86Å
189T85Confident81.8Confident80 Ų8060.9 Ų60.949%0.49131%0.313SS..THydrogen-bonded Turntrans-67.9-40.5-178.4-53.10000112.4C187 H207 Q208C187-T189 VanDerWaalsContact C-N 3.33Å; T189-H207 HydrophobicContact CG2-CB 4.49Å; T189-Q208 PolarHBondContact OG1-N 3.19Å
190D81Confident82.3Confident54 Ų5458.7 Ų58.729%0.28931%0.306SS..THydrogen-bonded Turntrans-105.9-0.5-177.3-46.4-65000113.7C187 Q192 H204 H207C187-D190 PolarHBondContact SG-OD2 3.48Å; D190-Q192 HydrophobicContact CB-CG 4.5Å; D190-Q192 WeakPolarHBondContact O-CG 3.43Å; D190-Q192 PolarHBondContact O-N 2.88Å; D190-H204 IonicContact OD2-CE1 3.46Å; D190-H204 PolarHBondContact OD2-CE1 2.79Å; D190-H204 IonicContact OD2-CG 2.76Å; D190-H204 IonicContact OD2-ND1 2.71Å; D190-H204 PolarHBondContact OD2-ND1 3.11Å; D190-H207 IonicContact OD1-CE1 3.56Å; D190-H207 PolarHBondContact OD1-CE1 2.94Å; D190-H207 IonicContact OD1-ND1 3.85Å; D190-H207 PolarHBondContact OD1-ND1 2.79Å; D190-H207 IonicContact OD2-CE1 3.11Å; D190-H207 PolarHBondContact OD2-CE1 3.24Å; D190-H207 VanDerWaalsContact OD2-CE1 3.31Å; D190-H207 IonicContact OD2-CG 2.73Å; D190-H207 IonicContact OD2-ND1 2.72Å; D190-H207 PolarHBondContact OD2-ND1 3.02Å
191D82.1Confident82.6Confident98 Ų9857.3 Ų57.352%0.52430%0.303SS..THydrogen-bonded Turntrans55.646.3-177.1-15245.1000113.3Y186 C187 R215Y186-D191 WeakPolarHBondContact CE1-OD1 3.44Å; Y186-D191 VanDerWaalsContact CZ-OD1 3.31Å; Y186-D191 PolarHBondContact OH-OD1 3.35Å; C187-D191 VanDerWaalsContact O-CA 3.31Å; C187-D191 WeakPolarHBondContact O-CA 3.36Å; C187-D191 PolarHBondContact O-N 3.49Å; D191-R215 IonicContact OD1-NH2 3.33Å; D191-R215 PolarHBondContact OD1-NH2 3.4Å
192Q80.1Confident82.8Confident99 Ų9955 Ų5546%0.46330%0.297SS..EExtended strand (participates in β ladder)trans-134.4149.9-171.4-76.2174.833.700114C187 D190C187-Q192 PolarHBondContact N-O 2.93Å; C187-Q192 PolarHBondContact O-N 3.1Å; D190-Q192 HydrophobicContact CB-CG 4.5Å; D190-Q192 WeakPolarHBondContact O-CG 3.43Å; D190-Q192 PolarHBondContact O-N 2.88Å
193L82.9Confident82.9Confident78 Ų7859.3 Ų59.341%0.40831%0.31SS..EExtended strand (participates in β ladder)trans-78.5126.9170.7-64.9170.8000109.9L173 V183 Y186 L212L173-L193 HydrophobicContact CD1-CD1 3.89Å; V183-L193 HydrophobicContact CB-CB 4.19Å; V183-L193 HydrophobicContact CG1-CB 4.26Å; V183-L193 HydrophobicContact CG2-CB 4.2Å; Y186-L193 HydrophobicContact CD2-CD2 3.87Å; Y186-L193 HydrophobicContact CE2-CD2 4.39Å; L193-L212 HydrophobicContact CD2-CD2 3.25Å
194I83.8Confident83Confident3 Ų358.9 Ų58.92%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-132.8161.9-176.462.6161.4000111.5V183 N184 M185 C187 C198 K199 H204 V209V183-I194 WeakPolarHBondContact CA-O 3.27Å; N184-I194 PolarHBondContact N-O 3.14Å; M185-I194 HydrophobicContact CB-CD1 4.34Å; M185-I194 HydrophobicContact CB-CG1 3.91Å; M185-I194 PolarHBondContact N-O 2.86Å; M185-I194 PolarHBondContact O-N 2.83Å; M185-I194 VanDerWaalsContact O-O 3.08Å; C187-I194 HydrophobicContact CB-CD1 4.09Å; C187-I194 HydrophobicContact CB-CG1 4.37Å; C187-I194 HydrophobicContact CB-CG2 4.15Å; I194-C198 HydrophobicContact CB-CB 3.82Å; I194-C198 HydrophobicContact CD1-CB 4.27Å; I194-C198 HydrophobicContact CG2-CB 4.3Å; I194-K199 HydrophobicContact CD1-CB 4.45Å; I194-H204 HydrophobicContact CD1-CB 4.16Å; I194-V209 HydrophobicContact CD1-CG1 3.63Å
195C85.6Confident83.2Confident0 Ų062.9 Ų62.90%032%0.316CS..  trans-97.6178171.169.60000112.6C175 H178 E181 K182 M185 L197 C198C175-C195 HydrophobicContact CB-CB 3.76Å; C175-C195 VanDerWaalsContact SG-SG 3.63Å; H178-C195 PolarHBondContact ND1-SG 2.85Å; E181-C195 HydrophobicContact CB-CB 3.66Å; K182-C195 VanDerWaalsContact O-CB 3.25Å; K182-C195 WeakPolarHBondContact O-CB 3.37Å; M185-C195 VanDerWaalsContact CE-O 3.26Å; M185-C195 WeakPolarHBondContact CE-O 3.28Å; C195-L197 VanDerWaalsContact C-N 3.32Å; C195-L197 PolarHBondContact O-N 2.84Å; C195-C198 WeakPolarHBondContact O-CB 3.25Å; C195-C198 PolarHBondContact O-N 3.11Å
196A83.3Confident83.4Confident26 Ų2668 Ų6822%0.21534%0.344CS..Hα-helixtrans-57.7-40.6175.400000113.1N184 M185 C198 K199 L200N184-A196 PolarHBondContact OD1-N 3.04Å; M185-A196 VanDerWaalsContact CE-CA 3.46Å; M185-A196 HydrophobicContact CE-CB 4.42Å; A196-C198 PolarHBondContact O-N 3.42Å; A196-K199 PolarHBondContact O-N 3.37Å; A196-L200 HydrophobicContact CB-CD1 4.38Å; A196-L200 WeakPolarHBondContact O-CB 3.48Å; A196-L200 WeakPolarHBondContact O-CG 3.37Å; A196-L200 PolarHBondContact O-N 2.65Å
197L84.1Confident83.6Confident61 Ų6169.2 Ų69.232%0.31935%0.351SS..Hα-helixtrans-66.2-37.9-178.5-62.2-172.9000112.5E181 C195 K199 L200 V201 G202E181-L197 HydrophobicContact CG-CB 4.47Å; E181-L197 HydrophobicContact CG-CD1 3.41Å; E181-L197 VanDerWaalsContact CG-CD1 3.41Å; E181-L197 HydrophobicContact CG-CG 3.75Å; C195-L197 VanDerWaalsContact C-N 3.32Å; C195-L197 PolarHBondContact O-N 2.84Å; L197-K199 PolarHBondContact O-N 3.43Å; L197-L200 PolarHBondContact O-N 3.22Å; L197-V201 PolarHBondContact O-N 3.49Å; L197-G202 PolarHBondContact O-N 3.26Å
198C83.9Confident83.6Confident1 Ų175.6 Ų75.61%0.00738%0.381CS..Hα-helixtrans-55.2-35.2174.3-76.60000113.1C175 E177 H178 I194 C195 A196 G202 H204C175-C198 PolarHBondContact SG-SG 2.94Å; E177-C198 PolarHBondContact OE2-SG 2.89Å; E177-C198 VanDerWaalsContact OE2-SG 3.39Å; H178-C198 VanDerWaalsContact CE1-SG 3.5Å; H178-C198 PolarHBondContact ND1-SG 3.41Å; I194-C198 HydrophobicContact CB-CB 3.82Å; I194-C198 HydrophobicContact CD1-CB 4.27Å; I194-C198 HydrophobicContact CG2-CB 4.3Å; C195-C198 WeakPolarHBondContact O-CB 3.25Å; C195-C198 PolarHBondContact O-N 3.11Å; A196-C198 PolarHBondContact O-N 3.42Å; C198-G202 CarbonylContact O-C 3.3Å; C198-G202 WeakPolarHBondContact O-CA 3.36Å; C198-H204 CarbonylContact O-C 3.53Å; C198-H204 WeakPolarHBondContact O-CA 3.42Å; C198-H204 WeakPolarHBondContact O-CB 3.14Å; C198-H204 PolarHBondContact O-N 2.85Å; C198-H204 VanDerWaalsContact O-N 3.07Å
199K83.7Confident83.7Confident56 Ų5675.1 Ų75.124%0.24338%0.378CS..Hα-helixtrans-87.7-35178.9-179.355.5175.6175.70113.1M185 I194 A196 L197 H204 R205 H207 V209M185-K199 HydrophobicContact CE-CB 3.65Å; M185-K199 HydrophobicContact CE-CG 4.34Å; I194-K199 HydrophobicContact CD1-CB 4.45Å; A196-K199 PolarHBondContact O-N 3.37Å; L197-K199 PolarHBondContact O-N 3.43Å; K199-H204 VanDerWaalsContact CD-O 3.26Å; K199-H204 WeakPolarHBondContact CD-O 3.47Å; K199-R205 WeakPolarHBondContact CE-O 3.24Å; K199-R205 PolarHBondContact NZ-O 2.9Å; K199-R205 WeakPolarHBondContact O-CA 3.43Å; K199-H207 PolarHBondContact NZ-O 3.43Å; K199-V209 HydrophobicContact CD-CG1 3.86Å; K199-V209 HydrophobicContact CD-CG2 4.09Å; K199-V209 HydrophobicContact CG-CG1 4.4Å; K199-V209 HydrophobicContact CG-CG2 4.24Å
200L81.6Confident83.6Confident119 Ų11972.4 Ų72.462%0.62336%0.364SS*.Hα-helixtrans-79.8-41.8-174.8-71.5169.5000112.6A196 L197A196-L200 HydrophobicContact CB-CD1 4.38Å; A196-L200 WeakPolarHBondContact O-CB 3.48Å; A196-L200 WeakPolarHBondContact O-CG 3.37Å; A196-L200 PolarHBondContact O-N 2.65Å; L197-L200 PolarHBondContact O-N 3.22Å
201V81.5Confident83.9Confident124 Ų12472 Ų7275%0.75237%0.368SS*.THydrogen-bonded Turntrans-135.4-19-171.7-1620000112.4L197L197-V201 PolarHBondContact O-N 3.49Å
202G81Confident83.9Confident20 Ų2069.8 Ų69.821%0.20636%0.356CS..SBendtrans-84.3-167.7-17800000115.1L197 C198 H204 R205L197-G202 PolarHBondContact O-N 3.26Å; C198-G202 CarbonylContact O-C 3.3Å; C198-G202 WeakPolarHBondContact O-CA 3.36Å; G202-H204 PolarHBondContact O-N 3.49Å; G202-H204 VanDerWaalsContact O-N 3.15Å; G202-R205 PolarHBondContact O-N 2.83Å
203R82.5Confident83.9Confident196 Ų19668.9 Ų68.974%0.7436%0.36SS*.THydrogen-bonded Turntrans-68.3-12.1-171.2-69.6-172.5-89.8-149.8-4.8115E177E177-R203 IonicContact OE1-CZ 3.67Å; E177-R203 IonicContact OE1-NE 3.72Å; E177-R203 PolarHBondContact OE1-NE 3.19Å; E177-R203 IonicContact OE1-NH2 2.82Å; E177-R203 PolarHBondContact OE1-NH2 3.19Å
204H82.9Confident83.9Confident15 Ų1569.6 Ų69.67%0.06936%0.361CS..THydrogen-bonded Turntrans-101.818.3-177.5-56.5-93.8000112.7D190 I194 C198 K199 G202 D206 H207D190-H204 IonicContact OD2-CE1 3.46Å; D190-H204 PolarHBondContact OD2-CE1 2.79Å; D190-H204 IonicContact OD2-CG 2.76Å; D190-H204 IonicContact OD2-ND1 2.71Å; D190-H204 PolarHBondContact OD2-ND1 3.11Å; I194-H204 HydrophobicContact CD1-CB 4.16Å; C198-H204 CarbonylContact O-C 3.53Å; C198-H204 WeakPolarHBondContact O-CA 3.42Å; C198-H204 WeakPolarHBondContact O-CB 3.14Å; C198-H204 PolarHBondContact O-N 2.85Å; C198-H204 VanDerWaalsContact O-N 3.07Å; K199-H204 VanDerWaalsContact CD-O 3.26Å; K199-H204 WeakPolarHBondContact CD-O 3.47Å; G202-H204 PolarHBondContact O-N 3.49Å; G202-H204 VanDerWaalsContact O-N 3.15Å; H204-D206 VanDerWaalsContact C-N 3.3Å; H204-D206 PolarHBondContact O-N 3.31Å; H204-H207 HydrophobicContact CB-CB 4.28Å; H204-H207 AromaticContact ND1-ND1 3.57Å; H204-H207 PolarHBondContact O-N 2.83Å; H204-H207 VanDerWaalsContact O-N 3.15Å
205R83Confident83.9Confident163 Ų16373.6 Ų73.662%0.61538%0.377SS*.THydrogen-bonded Turntrans-54.6-42.2-175.7-174.7179.4177.4-174.9-0.7113.7K199 G202K199-R205 WeakPolarHBondContact CE-O 3.24Å; K199-R205 PolarHBondContact NZ-O 2.9Å; K199-R205 WeakPolarHBondContact O-CA 3.43Å; G202-R205 PolarHBondContact O-N 2.83Å
206D86Confident83.9Confident148 Ų14880.1 Ų80.179%0.79140%0.402SS*.THydrogen-bonded Turntrans-100.63-177.4-58.3-47.6000112.9H204H204-D206 VanDerWaalsContact C-N 3.3Å; H204-D206 PolarHBondContact O-N 3.31Å
207H89.3Confident84.2Confident58 Ų5882.7 Ų82.727%0.26941%0.412SS..SBendtrans-84.6152.9-177.7-66.4-174.9000112.4C187 T189 D190 K199 H204 V209C187-H207 VanDerWaalsContact SG-CB 3.51Å; T189-H207 HydrophobicContact CG2-CB 4.49Å; D190-H207 IonicContact OD1-CE1 3.56Å; D190-H207 PolarHBondContact OD1-CE1 2.94Å; D190-H207 IonicContact OD1-ND1 3.85Å; D190-H207 PolarHBondContact OD1-ND1 2.79Å; D190-H207 IonicContact OD2-CE1 3.11Å; D190-H207 PolarHBondContact OD2-CE1 3.24Å; D190-H207 VanDerWaalsContact OD2-CE1 3.31Å; D190-H207 IonicContact OD2-CG 2.73Å; D190-H207 IonicContact OD2-ND1 2.72Å; D190-H207 PolarHBondContact OD2-ND1 3.02Å; K199-H207 PolarHBondContact NZ-O 3.43Å; H204-H207 HydrophobicContact CB-CB 4.28Å; H204-H207 AromaticContact ND1-ND1 3.57Å; H204-H207 PolarHBondContact O-N 2.83Å; H204-H207 VanDerWaalsContact O-N 3.15Å; H207-V209 PolarHBondContact O-N 3.3Å
208Q86.1Confident84.3Confident134 Ų13485.2 Ų85.263%0.62642%0.421SS*.  trans-74.4124.7177.3-171.1176.727.300109.4V188 T189V188-Q208 HydrophobicContact CB-CB 4.4Å; V188-Q208 HydrophobicContact CB-CG 4.44Å; V188-Q208 PolarHBondContact N-O 3.27Å; T189-Q208 PolarHBondContact OG1-N 3.19Å
209V87.7Confident84.4Confident44 Ų4490.3 Ų90.327%0.26745%0.447SS..EExtended strand (participates in β ladder)trans-119.5144.7179.4-58.90000110.5M185 Y186 I194 K199 H207M185-V209 HydrophobicContact SD-CG2 4.29Å; Y186-V209 CarbonylContact O-C 3.35Å; Y186-V209 WeakPolarHBondContact O-CA 3.49Å; I194-V209 HydrophobicContact CD1-CG1 3.63Å; K199-V209 HydrophobicContact CD-CG1 3.86Å; K199-V209 HydrophobicContact CD-CG2 4.09Å; K199-V209 HydrophobicContact CG-CG1 4.4Å; K199-V209 HydrophobicContact CG-CG2 4.24Å; H207-V209 PolarHBondContact O-N 3.3Å
210A84.5Confident84.7Confident24 Ų2491.8 Ų91.820%0.19845%0.453CS..EExtended strand (participates in β ladder)trans-123.1156.2176.100000110.3Y186 V188Y186-A210 PolarHBondContact N-O 2.77Å; Y186-A210 PolarHBondContact O-N 3.38Å; V188-A210 HydrophobicContact CG2-CB 3.86Å
211A85.6Confident85.2Confident46 Ų4692.1 Ų92.138%0.3845%0.452SS..EExtended strand (participates in β ladder)trans-65.2139.2171.500000110.1S213 E214 R215A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.25Å; A211-E214 HydrophobicContact CB-CB 4.37Å; A211-E214 PolarHBondContact O-N 2.95Å; A211-R215 PolarHBondContact O-N 2.89Å; A211-R215 VanDerWaalsContact O-N 3.12Å
212L83.7Confident85.7Confident51 Ų5190.4 Ų90.427%0.26744%0.439SS..Hα-helixtrans-59.2-39.2179.3-71.3178.1000112.5N184 Y186 L193 R215 Y216N184-L212 VanDerWaalsContact CA-CD1 3.46Å; N184-L212 WeakPolarHBondContact O-CG 3.37Å; Y186-L212 HydrophobicContact CD2-CD2 4.41Å; L193-L212 HydrophobicContact CD2-CD2 3.25Å; L212-R215 PolarHBondContact O-N 3.09Å; L212-Y216 WeakPolarHBondContact O-CB 3.45Å; L212-Y216 PolarHBondContact O-N 3.05Å
213S80Confident86.1Confident79 Ų7995.2 Ų95.255%0.55246%0.459SS*.Hα-helixtrans-61-46.4178.248.50000111.9A211 R215 Y216 D217A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.25Å; S213-R215 PolarHBondContact O-N 2.78Å; S213-Y216 PolarHBondContact O-N 2.93Å; S213-D217 PolarHBondContact O-N 2.99Å
214E82.6Confident86.6Confident93 Ų9390.6 Ų90.644%0.43545%0.446SS..Hα-helixtrans-64-42.7179-170.2-170.1165.100111.8A211 K218A211-E214 HydrophobicContact CB-CB 4.37Å; A211-E214 PolarHBondContact O-N 2.95Å; E214-K218 HydrophobicContact CG-CD 4.5Å; E214-K218 WeakPolarHBondContact O-CB 3.47Å; E214-K218 WeakPolarHBondContact O-CG 3.46Å; E214-K218 PolarHBondContact O-N 2.93Å; E214-K218 VanDerWaalsContact O-N 3.12Å; E214-K218 WeakPolarHBondContact OE1-CE 3.36Å; E214-K218 IonicContact OE1-NZ 3.41Å; E214-K218 PolarHBondContact OE1-NZ 3.11Å
215R84.3Confident87.1Confident88 Ų8892.8 Ų92.833%0.33246%0.463SS..Hα-helixtrans-68.3-39.3177.3-174.360.7171.4-175.5-2.7111.6Y186 D191 A211 L212 S213 L219Y186-R215 HydrophobicContact CD1-CG 4.04Å; Y186-R215 HydrophobicContact CD2-CG 4.14Å; Y186-R215 HydrophobicContact CE1-CG 4.27Å; Y186-R215 HydrophobicContact CE2-CG 4.37Å; Y186-R215 HydrophobicContact CG-CB 4.43Å; Y186-R215 HydrophobicContact CG-CG 3.96Å; D191-R215 IonicContact OD1-NH2 3.33Å; D191-R215 PolarHBondContact OD1-NH2 3.4Å; A211-R215 PolarHBondContact O-N 2.89Å; A211-R215 VanDerWaalsContact O-N 3.12Å; L212-R215 PolarHBondContact O-N 3.09Å; S213-R215 PolarHBondContact O-N 2.78Å; R215-L219 VanDerWaalsContact O-CB 3.31Å; R215-L219 WeakPolarHBondContact O-CB 3.3Å; R215-L219 PolarHBondContact O-N 3.24Å
216Y85.4Confident87.6Confident136 Ų13689.2 Ų89.253%0.53346%0.456SS..Hα-helixtrans-59.6-52.3175171.2-92.7000111.1L212 S213 K218 L219 K220L212-Y216 WeakPolarHBondContact O-CB 3.45Å; L212-Y216 PolarHBondContact O-N 3.05Å; S213-Y216 PolarHBondContact O-N 2.93Å; Y216-K218 PolarHBondContact O-N 2.99Å; Y216-L219 PolarHBondContact O-N 3.43Å; Y216-K220 HydrophobicContact CE1-CD 3.8Å; Y216-K220 WeakPolarHBondContact O-CB 2.97Å; Y216-K220 PolarHBondContact O-N 3.35Å; Y216-K220 PolarHBondContact OH-NZ 2.98Å
217D87.9Confident88Confident80 Ų8086.9 Ų86.943%0.42844%0.443SS..Hα-helixtrans-61.6-44.4-178.3-72.2-28.7000111.2S213 K220 Q221S213-D217 PolarHBondContact O-N 2.99Å; D217-K220 PolarHBondContact O-N 2.77Å; D217-Q221 WeakPolarHBondContact O-CB 3.32Å; D217-Q221 VanDerWaalsContact O-CG 3.23Å; D217-Q221 WeakPolarHBondContact O-CG 2.9Å; D217-Q221 PolarHBondContact O-N 3.06Å
218K86.8Confident88.2Confident115 Ų11588.4 Ų88.450%0.546%0.457SS..Hα-helixtrans-62.8-46177-74.6-179.8-172.8171.30112.5E214 Y216 N222E214-K218 HydrophobicContact CG-CD 4.5Å; E214-K218 WeakPolarHBondContact O-CB 3.47Å; E214-K218 WeakPolarHBondContact O-CG 3.46Å; E214-K218 PolarHBondContact O-N 2.93Å; E214-K218 VanDerWaalsContact O-N 3.12Å; E214-K218 WeakPolarHBondContact OE1-CE 3.36Å; E214-K218 IonicContact OE1-NZ 3.41Å; E214-K218 PolarHBondContact OE1-NZ 3.11Å; Y216-K218 PolarHBondContact O-N 2.99Å; K218-N222 WeakPolarHBondContact O-CB 3.33Å; K218-N222 PolarHBondContact O-N 2.99Å
219L86.1Confident88.6Confident107 Ų10785.9 Ų85.956%0.5645%0.447SS*.Hα-helixtrans-68.6-40.1-179-172.764.8000111.3R215 Y216 N222 L223R215-L219 VanDerWaalsContact O-CB 3.31Å; R215-L219 WeakPolarHBondContact O-CB 3.3Å; R215-L219 PolarHBondContact O-N 3.24Å; Y216-L219 PolarHBondContact O-N 3.43Å; L219-N222 PolarHBondContact O-N 3.17Å; L219-L223 WeakPolarHBondContact O-CB 3.31Å; L219-L223 PolarHBondContact O-N 2.73Å
220K90Very high88.8Confident87 Ų8789.3 Ų89.338%0.37846%0.463SS..Hα-helixtrans-62.4-49175.9-177179.1179.7-179.90111.6Y216 D217 N222 L223 E224Y216-K220 HydrophobicContact CE1-CD 3.8Å; Y216-K220 WeakPolarHBondContact O-CB 2.97Å; Y216-K220 PolarHBondContact O-N 3.35Å; Y216-K220 PolarHBondContact OH-NZ 2.98Å; D217-K220 PolarHBondContact O-N 2.77Å; K220-N222 VanDerWaalsContact C-N 3.33Å; K220-N222 PolarHBondContact O-N 2.67Å; K220-L223 PolarHBondContact O-N 2.97Å; K220-E224 WeakPolarHBondContact CE-OE1 3.17Å; K220-E224 HydrophobicContact CG-CG 4.47Å; K220-E224 WeakPolarHBondContact O-CB 3.02Å; K220-E224 WeakPolarHBondContact O-CG 3.06Å; K220-E224 PolarHBondContact O-N 3.39Å
221Q92.5Very high89.3Confident126 Ų12692.8 Ų92.859%0.58948%0.478SS*.Hα-helixtrans-60.5-41.4176.9-75.4175.54.400112.2D217 E224 S225D217-Q221 WeakPolarHBondContact O-CB 3.32Å; D217-Q221 VanDerWaalsContact O-CG 3.23Å; D217-Q221 WeakPolarHBondContact O-CG 2.9Å; D217-Q221 PolarHBondContact O-N 3.06Å; Q221-E224 PolarHBondContact O-N 3.1Å; Q221-S225 WeakPolarHBondContact O-CB 3.19Å; Q221-S225 PolarHBondContact O-N 2.83Å
222N91.5Very high89.7Confident89 Ų8996.6 Ų96.648%0.47649%0.486SS..Hα-helixtrans-63.1-44.6176.2-170-14.3000111.1K218 L219 K220 S225 N226K218-N222 WeakPolarHBondContact O-CB 3.33Å; K218-N222 PolarHBondContact O-N 2.99Å; L219-N222 PolarHBondContact O-N 3.17Å; K220-N222 VanDerWaalsContact C-N 3.33Å; K220-N222 PolarHBondContact O-N 2.67Å; N222-S225 PolarHBondContact O-N 2.66Å; N222-N226 WeakPolarHBondContact O-CB 3.34Å; N222-N226 VanDerWaalsContact O-CG 3.32Å; N222-N226 PolarHBondContact O-N 3.28Å; N222-N226 PolarHBondContact O-ND2 3.32Å; N222-N226 PolarHBondContact OD1-ND2 3.39Å
223L90.3Very high90.2Very high121 Ų121102.4 Ų102.463%0.63450%0.504SS*.Hα-helixtrans-63.2-44.8176.7-173.464.8000112.2L219 K220 S225 N226 L227L219-L223 WeakPolarHBondContact O-CB 3.31Å; L219-L223 PolarHBondContact O-N 2.73Å; K220-L223 PolarHBondContact O-N 2.97Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 2.8Å; L223-N226 PolarHBondContact O-N 3.28Å; L223-L227 VanDerWaalsContact O-CB 3.26Å; L223-L227 WeakPolarHBondContact O-CB 3.4Å; L223-L227 PolarHBondContact O-N 3.22Å
224E92.1Very high90.8Very high98 Ų98102.6 Ų102.646%0.45850%0.499SS..Hα-helixtrans-60.9-41.6176-74.4172.7175.300111.6K220 Q221 T228K220-E224 WeakPolarHBondContact CE-OE1 3.17Å; K220-E224 HydrophobicContact CG-CG 4.47Å; K220-E224 WeakPolarHBondContact O-CB 3.02Å; K220-E224 WeakPolarHBondContact O-CG 3.06Å; K220-E224 PolarHBondContact O-N 3.39Å; Q221-E224 PolarHBondContact O-N 3.1Å; E224-T228 WeakPolarHBondContact O-CB 3.45Å; E224-T228 PolarHBondContact O-N 3.1Å; E224-T228 PolarHBondContact O-OG1 2.87Å
225S94.3Very high91.4Very high62 Ų62101.2 Ų101.243%0.43450%0.497SS..Hα-helixtrans-64.4-48.5176.3-175.90000111.9Q221 N222 L223 L227 T228 N229Q221-S225 WeakPolarHBondContact O-CB 3.19Å; Q221-S225 PolarHBondContact O-N 2.83Å; N222-S225 PolarHBondContact O-N 2.66Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 2.8Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 2.93Å; S225-T228 PolarHBondContact O-N 3.14Å; S225-N229 VanDerWaalsContact O-CG 3.31Å; S225-N229 PolarHBondContact O-N 3.12Å; S225-N229 PolarHBondContact O-ND2 2.9Å
226N92.2Very high91.9Very high88 Ų88101.6 Ų101.647%0.47150%0.503SS..Hα-helixtrans-63-40.2178.1-71.8-32.6000111.9N222 L223 N229 L230N222-N226 WeakPolarHBondContact O-CB 3.34Å; N222-N226 VanDerWaalsContact O-CG 3.32Å; N222-N226 PolarHBondContact O-N 3.28Å; N222-N226 PolarHBondContact O-ND2 3.32Å; N222-N226 PolarHBondContact OD1-ND2 3.39Å; L223-N226 PolarHBondContact O-N 3.28Å; N226-N229 PolarHBondContact O-N 2.94Å; N226-L230 WeakPolarHBondContact O-CB 3.48Å; N226-L230 PolarHBondContact O-N 3.48Å
227L94.4Very high92.3Very high98 Ų98100.3 Ų100.351%0.51350%0.504SS..Hα-helixtrans-63-44.4176.3-176.661.8000111.1L223 S225 N229 L230 I231L223-L227 VanDerWaalsContact O-CB 3.26Å; L223-L227 WeakPolarHBondContact O-CB 3.4Å; L223-L227 PolarHBondContact O-N 3.22Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 2.93Å; L227-N229 VanDerWaalsContact C-N 3.34Å; L227-N229 PolarHBondContact O-N 2.86Å; L227-L230 PolarHBondContact O-N 2.98Å; L227-I231 HydrophobicContact CD1-CD1 4.39Å; L227-I231 HydrophobicContact CG-CD1 4.05Å; L227-I231 VanDerWaalsContact O-CG1 3.29Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 2.66Å
228T94Very high92.6Very high91 Ų91101.8 Ų101.856%0.55851%0.509SS*.Hα-helixtrans-61.5-43.2176.6-55.10000111.4E224 S225 L230 I231 K232E224-T228 WeakPolarHBondContact O-CB 3.45Å; E224-T228 PolarHBondContact O-N 3.1Å; E224-T228 PolarHBondContact O-OG1 2.87Å; S225-T228 PolarHBondContact O-N 3.14Å; T228-L230 VanDerWaalsContact C-N 3.34Å; T228-L230 PolarHBondContact O-N 2.81Å; T228-I231 PolarHBondContact O-N 3.41Å; T228-K232 WeakPolarHBondContact O-CB 3.37Å; T228-K232 PolarHBondContact O-N 3.24Å
229N93.9Very high93Very high80 Ų80100 Ų10043%0.42851%0.507SS..Hα-helixtrans-63.4-39.6175.9-71.5-32.3000112.2S225 N226 L227 K232 R233S225-N229 VanDerWaalsContact O-CG 3.31Å; S225-N229 PolarHBondContact O-N 3.12Å; S225-N229 PolarHBondContact O-ND2 2.9Å; N226-N229 PolarHBondContact O-N 2.94Å; L227-N229 VanDerWaalsContact C-N 3.34Å; L227-N229 PolarHBondContact O-N 2.86Å; N229-K232 PolarHBondContact O-N 3.1Å; N229-R233 PolarHBondContact O-N 2.76Å
230L92.8Very high93.4Very high116 Ų11699.4 Ų99.461%0.60750%0.504SS*.Hα-helixtrans-67.2-43.9177.6-174.762.7000111.5N226 L227 T228 K232 R233 N234N226-L230 WeakPolarHBondContact O-CB 3.48Å; N226-L230 PolarHBondContact O-N 3.48Å; L227-L230 PolarHBondContact O-N 2.98Å; T228-L230 VanDerWaalsContact C-N 3.34Å; T228-L230 PolarHBondContact O-N 2.81Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.07Å; L230-R233 PolarHBondContact O-N 3.1Å; L230-N234 WeakPolarHBondContact O-CB 3.16Å; L230-N234 PolarHBondContact O-N 2.95Å
231I95.1Very high93.6Very high98 Ų98100.1 Ų100.150%0.50351%0.512SS..Hα-helixtrans-58-46.7174.5-68.9165.3000110.1L227 T228 R233 N234 T235L227-I231 HydrophobicContact CD1-CD1 4.39Å; L227-I231 HydrophobicContact CG-CD1 4.05Å; L227-I231 VanDerWaalsContact O-CG1 3.29Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 2.66Å; T228-I231 PolarHBondContact O-N 3.41Å; I231-R233 PolarHBondContact O-N 3.47Å; I231-N234 PolarHBondContact O-N 3.23Å; I231-N234 VanDerWaalsContact O-N 3.16Å; I231-T235 PolarHBondContact O-N 2.82Å
232K94.9Very high93.7Very high126 Ų12696.9 Ų96.955%0.54851%0.506SS..Hα-helixtrans-60.1-43.5176.9-176.1-177.3175.1-173.30112.4T228 N229 L230 N234 T235 E236T228-K232 WeakPolarHBondContact O-CB 3.37Å; T228-K232 PolarHBondContact O-N 3.24Å; N229-K232 PolarHBondContact O-N 3.1Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.07Å; K232-N234 VanDerWaalsContact C-N 3.3Å; K232-N234 PolarHBondContact O-N 3.48Å; K232-T235 PolarHBondContact O-N 3.05Å; K232-T235 PolarHBondContact O-OG1 3.28Å; K232-E236 VanDerWaalsContact CE-OE1 3.24Å; K232-E236 WeakPolarHBondContact CE-OE1 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3.45Å; K232-E236 PolarHBondContact O-N 2.81Å
233R92.8Very high93.8Very high172 Ų17298.4 Ų98.465%0.64951%0.509SS*.Hα-helixtrans-64.9-36.3175.6-78.4-167.9172.4137.1-0.5112.2N229 L230 I231 E236 L237N229-R233 PolarHBondContact O-N 2.76Å; L230-R233 PolarHBondContact O-N 3.1Å; I231-R233 PolarHBondContact O-N 3.47Å; R233-E236 PolarHBondContact O-N 3.4Å; R233-L237 WeakPolarHBondContact O-CG 3.46Å; R233-L237 PolarHBondContact O-N 3.31Å
234N93.9Very high93.9Very high83 Ų8398 Ų9844%0.44451%0.506SS..Hα-helixtrans-66.4-41.4178-160.365.4000111.6L230 I231 K232 E236 L237 E238L230-N234 WeakPolarHBondContact O-CB 3.16Å; L230-N234 PolarHBondContact O-N 2.95Å; I231-N234 PolarHBondContact O-N 3.23Å; I231-N234 VanDerWaalsContact O-N 3.16Å; K232-N234 VanDerWaalsContact C-N 3.3Å; K232-N234 PolarHBondContact O-N 3.48Å; N234-E236 VanDerWaalsContact C-N 3.34Å; N234-E236 PolarHBondContact O-N 2.78Å; N234-L237 PolarHBondContact O-N 3.33Å; N234-E238 PolarHBondContact ND2-OE1 2.68Å; N234-E238 VanDerWaalsContact ND2-OE1 3.13Å; N234-E238 WeakPolarHBondContact O-CG 3.36Å; N234-E238 PolarHBondContact O-N 3.49Å
235T95.2Very high94.1Very high65 Ų6597.4 Ų97.440%0.39951%0.506SS..Hα-helixtrans-67-34.9175.558.80000112.6I231 K232 T239I231-T235 PolarHBondContact O-N 2.82Å; K232-T235 PolarHBondContact O-N 3.05Å; K232-T235 PolarHBondContact O-OG1 3.28Å; T235-T239 PolarHBondContact O-N 2.93Å; T235-T239 PolarHBondContact O-OG1 2.83Å
236E94.9Very high94Very high96 Ų96100.7 Ų100.745%0.44951%0.514SS..Hα-helixtrans-62.1-44170.9-73.4169.7-174.100111.4K232 R233 N234 T239 L240K232-E236 VanDerWaalsContact CE-OE1 3.24Å; K232-E236 WeakPolarHBondContact CE-OE1 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3.45Å; K232-E236 PolarHBondContact O-N 2.81Å; R233-E236 PolarHBondContact O-N 3.4Å; N234-E236 VanDerWaalsContact C-N 3.34Å; N234-E236 PolarHBondContact O-N 2.78Å; E236-T239 WeakPolarHBondContact O-CB 3.42Å; E236-T239 PolarHBondContact O-N 2.79Å; E236-L240 WeakPolarHBondContact O-CG 3.41Å; E236-L240 PolarHBondContact O-N 2.78Å
237L93.4Very high93.9Very high108 Ų108100.3 Ų100.357%0.56552%0.515SS*.Hα-helixtrans-64.4-42.7176.2-74.2173.1000112.6R233 N234 T239 L240 L241R233-L237 WeakPolarHBondContact O-CG 3.46Å; R233-L237 PolarHBondContact O-N 3.31Å; N234-L237 PolarHBondContact O-N 3.33Å; L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 2.97Å; L237-L240 PolarHBondContact O-N 3.27Å; L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 PolarHBondContact O-N 3.27Å
238E94.5Very high93.8Very high111 Ų11199.2 Ų99.252%0.51952%0.515SS..Hα-helixtrans-59.1-40.4174.1-73.9169.8177.500111.3N234 L241 A242N234-E238 PolarHBondContact ND2-OE1 2.68Å; N234-E238 VanDerWaalsContact ND2-OE1 3.13Å; N234-E238 WeakPolarHBondContact O-CG 3.36Å; N234-E238 PolarHBondContact O-N 3.49Å; E238-L241 PolarHBondContact O-N 3.19Å; E238-A242 PolarHBondContact O-N 3.3Å
239T94.9Very high93.7Very high77 Ų77100.2 Ų100.247%0.47251%0.513SS..Hα-helixtrans-66-41.3176.1-55.20000111.7T235 E236 L237 A242 K243T235-T239 PolarHBondContact O-N 2.93Å; T235-T239 PolarHBondContact O-OG1 2.83Å; E236-T239 WeakPolarHBondContact O-CB 3.42Å; E236-T239 PolarHBondContact O-N 2.79Å; L237-T239 VanDerWaalsContact C-N 3.27Å; L237-T239 PolarHBondContact O-N 2.97Å; T239-A242 PolarHBondContact O-N 3.45Å; T239-K243 WeakPolarHBondContact O-CG 3.4Å; T239-K243 PolarHBondContact O-N 3.37Å; T239-K243 VanDerWaalsContact O-N 3.1Å
240L93.6Very high93.5Very high95 Ų95101.9 Ų101.950%0.49752%0.518SS..Hα-helixtrans-65.5-41.2175.7-72.2173.5000111.6E236 L237 A242 K243 L244E236-L240 WeakPolarHBondContact O-CG 3.41Å; E236-L240 PolarHBondContact O-N 2.78Å; L237-L240 PolarHBondContact O-N 3.27Å; L240-A242 PolarHBondContact O-N 2.89Å; L240-K243 WeakPolarHBondContact O-CB 3.26Å; L240-K243 PolarHBondContact O-N 2.99Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3.37Å
241L94.6Very high93.2Very high103 Ų103100.7 Ų100.754%0.53952%0.515SS..Hα-helixtrans-60.9-44.9175.8-179.162.7000111.2L237 E238 K243 L244 I245L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 PolarHBondContact O-N 3.27Å; E238-L241 PolarHBondContact O-N 3.19Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 3.1Å; L241-L244 PolarHBondContact O-N 2.91Å; L241-I245 HydrophobicContact CD1-CD1 4.33Å; L241-I245 HydrophobicContact CG-CD1 4.08Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 2.87Å
242A94.9Very high93Very high57 Ų57102.4 Ų102.447%0.47152%0.522SS..Hα-helixtrans-59.4-42.4175.700000112.1E238 T239 L240 I245 Q246E238-A242 PolarHBondContact O-N 3.3Å; T239-A242 PolarHBondContact O-N 3.45Å; L240-A242 PolarHBondContact O-N 2.89Å; A242-I245 PolarHBondContact O-N 3.33Å; A242-Q246 WeakPolarHBondContact O-CB 3.2Å; A242-Q246 PolarHBondContact O-N 2.98Å
243K93.2Very high92.9Very high121 Ų121101.2 Ų101.253%0.52652%0.524SS..Hα-helixtrans-63.5-40175-73.2175.2179.5179.30112.5T239 L240 L241 Q246 T247T239-K243 WeakPolarHBondContact O-CG 3.4Å; T239-K243 PolarHBondContact O-N 3.37Å; T239-K243 VanDerWaalsContact O-N 3.1Å; L240-K243 WeakPolarHBondContact O-CB 3.26Å; L240-K243 PolarHBondContact O-N 2.99Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 3.1Å; K243-Q246 PolarHBondContact O-N 3.1Å; K243-T247 WeakPolarHBondContact O-CB 3.24Å; K243-T247 PolarHBondContact O-N 3.47Å; K243-T247 PolarHBondContact O-OG1 3.17Å
244L93Very high92.6Very high112 Ų11295.1 Ų95.159%0.58651%0.505SS*.Hα-helixtrans-64.1-46.7176.5-76171.1000111.1L240 L241 Q246 T247 C248L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3.37Å; L241-L244 PolarHBondContact O-N 2.91Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.01Å; L244-T247 WeakPolarHBondContact O-CB 3.31Å; L244-T247 PolarHBondContact O-N 2.99Å; L244-T247 VanDerWaalsContact O-N 3.11Å; L244-C248 PolarHBondContact O-N 2.87Å; L244-C248 PolarHBondContact O-SG 2.87Å; L244-C248 VanDerWaalsContact O-SG 3.35Å
245I95Very high92Very high87 Ų8793.4 Ų93.445%0.44650%0.502SS..Hα-helixtrans-58.8-45.6176.5-67.5167.8000110.8L241 A242 T247 C248 Q249L241-I245 HydrophobicContact CD1-CD1 4.33Å; L241-I245 HydrophobicContact CG-CD1 4.08Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 2.87Å; A242-I245 PolarHBondContact O-N 3.33Å; I245-T247 VanDerWaalsContact C-N 3.3Å; I245-T247 PolarHBondContact O-N 2.99Å; I245-C248 PolarHBondContact O-N 3.41Å; I245-Q249 WeakPolarHBondContact O-CG 3.4Å; I245-Q249 PolarHBondContact O-N 3.13Å
246Q92.7Very high91.9Very high131 Ų13193.4 Ų93.461%0.61251%0.505SS*.Hα-helixtrans-61.3-39.3176.6-173.2-177.96.500112A242 K243 L244 Q249 H250A242-Q246 WeakPolarHBondContact O-CB 3.2Å; A242-Q246 PolarHBondContact O-N 2.98Å; K243-Q246 PolarHBondContact O-N 3.1Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.01Å; Q246-Q249 PolarHBondContact O-N 3.43Å; Q246-H250 WeakPolarHBondContact O-CB 3.37Å; Q246-H250 PolarHBondContact O-N 3.21Å
247T89.4Confident91.6Very high80 Ų8096.8 Ų96.849%0.49151%0.513SS..Hα-helixtrans-65-43.7177.2-55.80000110.9K243 L244 I245 H250 V251K243-T247 WeakPolarHBondContact O-CB 3.24Å; K243-T247 PolarHBondContact O-N 3.47Å; K243-T247 PolarHBondContact O-OG1 3.17Å; L244-T247 WeakPolarHBondContact O-CB 3.31Å; L244-T247 PolarHBondContact O-N 2.99Å; L244-T247 VanDerWaalsContact O-N 3.11Å; I245-T247 VanDerWaalsContact C-N 3.3Å; I245-T247 PolarHBondContact O-N 2.99Å; T247-H250 PolarHBondContact O-N 3.26Å; T247-V251 WeakPolarHBondContact O-CG2 3.14Å; T247-V251 PolarHBondContact O-N 2.85Å
248C92.3Very high91.1Very high75 Ų7596.7 Ų96.751%0.50751%0.51SS..Hα-helixtrans-58.7-48.5174.9-66.70000111.7L244 I245 H250 V251 E252L244-C248 PolarHBondContact O-N 2.87Å; L244-C248 PolarHBondContact O-SG 2.87Å; L244-C248 VanDerWaalsContact O-SG 3.35Å; I245-C248 PolarHBondContact O-N 3.41Å; C248-H250 VanDerWaalsContact C-N 3.3Å; C248-H250 PolarHBondContact O-N 3.27Å; C248-V251 WeakPolarHBondContact O-CB 3.48Å; C248-V251 PolarHBondContact O-N 2.79Å; C248-V251 VanDerWaalsContact O-N 3.15Å; C248-E252 PolarHBondContact O-N 3.47Å
249Q93.3Very high90.8Very high112 Ų11297.3 Ų97.352%0.52351%0.513SS..Hα-helixtrans-59.6-40.9176.9-71.2174.9-12.200112.2I245 Q246 V251 E252 V253I245-Q249 WeakPolarHBondContact O-CG 3.4Å; I245-Q249 PolarHBondContact O-N 3.13Å; Q246-Q249 PolarHBondContact O-N 3.43Å; Q249-V251 VanDerWaalsContact C-N 3.35Å; Q249-V251 PolarHBondContact O-N 2.85Å; Q249-E252 PolarHBondContact O-N 2.88Å; Q249-V253 WeakPolarHBondContact O-CG2 3.4Å; Q249-V253 PolarHBondContact O-N 3.27Å
250H88.2Confident90.6Very high115 Ų11596.5 Ų96.553%0.53251%0.508SS..Hα-helixtrans-65.7-37.1177.4-177.7-107.1000112.3Q246 T247 C248 N254Q246-H250 WeakPolarHBondContact O-CB 3.37Å; Q246-H250 PolarHBondContact O-N 3.21Å; T247-H250 PolarHBondContact O-N 3.26Å; C248-H250 VanDerWaalsContact C-N 3.3Å; C248-H250 PolarHBondContact O-N 3.27Å; H250-N254 PolarHBondContact CE1-ND2 2.94Å; H250-N254 PolarHBondContact ND1-ND2 3.17Å; H250-N254 VanDerWaalsContact ND1-ND2 3.19Å; H250-N254 PolarHBondContact NE2-ND2 3.33Å; H250-N254 VanDerWaalsContact NE2-ND2 3.16Å; H250-N254 VanDerWaalsContact O-CB 3.28Å; H250-N254 WeakPolarHBondContact O-CB 3.4Å; H250-N254 VanDerWaalsContact O-CG 3.29Å; H250-N254 PolarHBondContact O-N 2.84Å; H250-N254 PolarHBondContact O-ND2 3.34Å; H250-N254 VanDerWaalsContact O-ND2 3.11Å
251V87.6Confident90.3Very high90 Ų9096.1 Ų96.155%0.54550%0.502SS..Hα-helixtrans-64.1-46173.8170.90000110.7T247 C248 Q249 N254 A255T247-V251 WeakPolarHBondContact O-CG2 3.14Å; T247-V251 PolarHBondContact O-N 2.85Å; C248-V251 WeakPolarHBondContact O-CB 3.48Å; C248-V251 PolarHBondContact O-N 2.79Å; C248-V251 VanDerWaalsContact O-N 3.15Å; Q249-V251 VanDerWaalsContact C-N 3.35Å; Q249-V251 PolarHBondContact O-N 2.85Å; V251-N254 PolarHBondContact O-N 3.13Å; V251-A255 WeakPolarHBondContact O-CB 3.43Å; V251-A255 PolarHBondContact O-N 2.88Å
252E91.2Very high90Very high135 Ų13596.3 Ų96.363%0.63150%0.503SS*.Hα-helixtrans-59.8-49.3178.1-72.4175.4-179.900112.2C248 Q249 N254 A255 S256C248-E252 PolarHBondContact O-N 3.47Å; Q249-E252 PolarHBondContact O-N 2.88Å; E252-N254 VanDerWaalsContact C-N 3.34Å; E252-N254 PolarHBondContact O-N 3.01Å; E252-A255 PolarHBondContact O-N 2.88Å; E252-S256 PolarHBondContact O-N 3.21Å
253V92.5Very high89.8Confident100 Ų10099 Ų9961%0.60651%0.507SS*.Hα-helixtrans-62.9-41.2178.7172.80000111.3Q249 R257Q249-V253 WeakPolarHBondContact O-CG2 3.4Å; Q249-V253 PolarHBondContact O-N 3.27Å; V253-R257 WeakPolarHBondContact O-CB 3.31Å; V253-R257 PolarHBondContact O-N 3.06Å
254N86.8Confident89.7Confident45 Ų4598.4 Ų98.424%0.24151%0.507CS..Hα-helixtrans-67.5-40.3178-80.5-34000112.9H250 V251 E252 R257 Q258H250-N254 PolarHBondContact CE1-ND2 2.94Å; H250-N254 PolarHBondContact ND1-ND2 3.17Å; H250-N254 VanDerWaalsContact ND1-ND2 3.19Å; H250-N254 PolarHBondContact NE2-ND2 3.33Å; H250-N254 VanDerWaalsContact NE2-ND2 3.16Å; H250-N254 VanDerWaalsContact O-CB 3.28Å; H250-N254 WeakPolarHBondContact O-CB 3.4Å; H250-N254 VanDerWaalsContact O-CG 3.29Å; H250-N254 PolarHBondContact O-N 2.84Å; H250-N254 PolarHBondContact O-ND2 3.34Å; H250-N254 VanDerWaalsContact O-ND2 3.11Å; V251-N254 PolarHBondContact O-N 3.13Å; E252-N254 VanDerWaalsContact C-N 3.34Å; E252-N254 PolarHBondContact O-N 3.01Å; N254-R257 PolarHBondContact O-N 2.86Å; N254-R257 PolarHBondContact OD1-NH2 3.07Å; N254-Q258 PolarHBondContact O-N 2.81Å
255A81.8Confident89.5Confident47 Ų4797.6 Ų97.639%0.38850%0.5SS..Hα-helixtrans-61.1-50.4176.200000110.5V251 E252 R257 Q258 E259V251-A255 WeakPolarHBondContact O-CB 3.43Å; V251-A255 PolarHBondContact O-N 2.88Å; E252-A255 PolarHBondContact O-N 2.88Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.16Å; A255-Q258 PolarHBondContact O-N 2.85Å; A255-E259 WeakPolarHBondContact O-CG 3.46Å; A255-E259 PolarHBondContact O-N 3.23Å
256S91.9Very high89.3Confident64 Ų6496 Ų9645%0.44850%0.495SS..Hα-helixtrans-60.5-37.6178.1-175.10000112.8E252 T260E252-S256 PolarHBondContact O-N 3.21Å; S256-T260 PolarHBondContact O-N 3.2Å; S256-T260 PolarHBondContact O-OG1 2.87Å
257R88.1Confident89.4Confident168 Ų16894.6 Ų94.663%0.63449%0.492SS*.Hα-helixtrans-63.6-42.5173.1-176.7176.864170.9-3.2112V253 N254 A255 T260 K261V253-R257 WeakPolarHBondContact O-CB 3.31Å; V253-R257 PolarHBondContact O-N 3.06Å; N254-R257 PolarHBondContact O-N 2.86Å; N254-R257 PolarHBondContact OD1-NH2 3.07Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.16Å; R257-T260 PolarHBondContact O-N 2.85Å; R257-K261 PolarHBondContact O-N 3.44Å
258Q84.6Confident89.6Confident106 Ų10695.4 Ų95.450%0.49549%0.491SS..Hα-helixtrans-70.2-36.9180-1726030.700112N254 A255 K261 L262N254-Q258 PolarHBondContact O-N 2.81Å; A255-Q258 PolarHBondContact O-N 2.85Å; Q258-K261 PolarHBondContact O-N 3.1Å; Q258-L262 WeakPolarHBondContact O-CB 3.09Å; Q258-L262 PolarHBondContact O-N 3.42Å
259E87.1Confident89.6Confident123 Ų12394.8 Ų94.858%0.57548%0.482SS*.Hα-helixtrans-60.1-45.9171.6-72.3174.3170.800111.3A255 K261 L262 M263A255-E259 WeakPolarHBondContact O-CG 3.46Å; A255-E259 PolarHBondContact O-N 3.23Å; E259-K261 PolarHBondContact O-N 3.15Å; E259-L262 PolarHBondContact O-N 3.41Å; E259-M263 WeakPolarHBondContact O-CG 3.16Å; E259-M263 PolarHBondContact O-N 2.84Å
260T91.6Very high89.7Confident60 Ų6093.2 Ų93.237%0.36848%0.476SS..Hα-helixtrans-60.2-46.6176.6-53.10000111.2S256 R257 L262 M263 E264S256-T260 PolarHBondContact O-N 3.2Å; S256-T260 PolarHBondContact O-OG1 2.87Å; R257-T260 PolarHBondContact O-N 2.85Å; T260-L262 VanDerWaalsContact C-N 3.34Å; T260-L262 PolarHBondContact O-N 3.02Å; T260-M263 WeakPolarHBondContact O-CB 3.35Å; T260-M263 PolarHBondContact O-N 3.21Å; T260-E264 WeakPolarHBondContact O-CG 3.5Å; T260-E264 PolarHBondContact O-N 2.81Å
261K87.6Confident90.1Very high87 Ų8792.9 Ų92.938%0.37848%0.475SS..Hα-helixtrans-62.8-38.7177.9-170.7174.7-179.4-176.20112.4R257 Q258 E259 M263 E264 E265R257-K261 PolarHBondContact O-N 3.44Å; Q258-K261 PolarHBondContact O-N 3.1Å; E259-K261 PolarHBondContact O-N 3.15Å; K261-M263 VanDerWaalsContact C-N 3.34Å; K261-E264 PolarHBondContact O-N 2.9Å; K261-E265 WeakPolarHBondContact O-CG 3.23Å; K261-E265 PolarHBondContact O-N 3.45Å
262L86.5Confident90.4Very high107 Ų10793.1 Ų93.156%0.5647%0.472SS*.Hα-helixtrans-61.3-43.9174.8175.263000111.3Q258 E259 T260 E265 C266Q258-L262 WeakPolarHBondContact O-CB 3.09Å; Q258-L262 PolarHBondContact O-N 3.42Å; E259-L262 PolarHBondContact O-N 3.41Å; T260-L262 VanDerWaalsContact C-N 3.34Å; T260-L262 PolarHBondContact O-N 3.02Å; L262-E265 PolarHBondContact O-N 2.7Å; L262-C266 WeakPolarHBondContact O-CB 3.3Å; L262-C266 PolarHBondContact O-N 3.03Å; L262-C266 PolarHBondContact O-SG 3.12Å; L262-C266 VanDerWaalsContact O-SG 3.36Å
263M90.8Very high90.6Very high113 Ų11391 Ų9156%0.55746%0.464SS*.Hα-helixtrans-59.9-46.4175.9-70.5-169.7-7100111.3E259 T260 K261 E265 C266 D267E259-M263 WeakPolarHBondContact O-CG 3.16Å; E259-M263 PolarHBondContact O-N 2.84Å; T260-M263 WeakPolarHBondContact O-CB 3.35Å; T260-M263 PolarHBondContact O-N 3.21Å; K261-M263 VanDerWaalsContact C-N 3.34Å; M263-E265 PolarHBondContact O-N 2.8Å; M263-C266 PolarHBondContact O-N 3.26Å; M263-D267 WeakPolarHBondContact O-CB 3.44Å; M263-D267 VanDerWaalsContact O-CG 3.32Å; M263-D267 PolarHBondContact O-N 3.31Å
264E92.7Very high90.7Very high110 Ų11090.7 Ų90.751%0.51446%0.456SS..Hα-helixtrans-59.2-46.2178.4-70.6173.8179.300113T260 K261 D267 Q268T260-E264 WeakPolarHBondContact O-CG 3.5Å; T260-E264 PolarHBondContact O-N 2.81Å; K261-E264 PolarHBondContact O-N 2.9Å; E264-D267 PolarHBondContact O-N 3.1Å; E264-Q268 WeakPolarHBondContact O-CG 3.35Å; E264-Q268 PolarHBondContact O-N 2.64Å; E264-Q268 VanDerWaalsContact O-N 3.09Å
265E88.7Confident91.2Very high94 Ų9493.2 Ų93.244%0.43947%0.467SS..Hα-helixtrans-67.2-40179-66.5-67151.100111.9K261 L262 M263 Q268 L269K261-E265 WeakPolarHBondContact O-CG 3.23Å; K261-E265 PolarHBondContact O-N 3.45Å; L262-E265 PolarHBondContact O-N 2.7Å; M263-E265 PolarHBondContact O-N 2.8Å; E265-Q268 PolarHBondContact O-N 3.32Å; E265-L269 WeakPolarHBondContact O-CG 3.41Å; E265-L269 PolarHBondContact O-N 3.49Å; E265-L269 VanDerWaalsContact O-N 3.11Å
266C89.9Confident91.8Very high53 Ų5398.2 Ų98.236%0.35848%0.475SS..Hα-helixtrans-63.2-43.2174.5-77.80000112L262 M263 Q268 L269 I270L262-C266 WeakPolarHBondContact O-CB 3.3Å; L262-C266 PolarHBondContact O-N 3.03Å; L262-C266 PolarHBondContact O-SG 3.12Å; L262-C266 VanDerWaalsContact O-SG 3.36Å; M263-C266 PolarHBondContact O-N 3.26Å; C266-Q268 VanDerWaalsContact C-N 3.32Å; C266-Q268 PolarHBondContact O-N 3.42Å; C266-L269 PolarHBondContact O-N 3.49Å; C266-I270 VanDerWaalsContact O-CG1 3.29Å; C266-I270 WeakPolarHBondContact O-CG1 3.43Å; C266-I270 PolarHBondContact O-N 2.86Å
267D94Very high91.9Very high103 Ų103102.4 Ų102.455%0.55148%0.481SS*.Hα-helixtrans-62.3-39.7177.9-77.1-22.6000111.5M263 E264 I270 E271M263-D267 WeakPolarHBondContact O-CB 3.44Å; M263-D267 VanDerWaalsContact O-CG 3.32Å; M263-D267 PolarHBondContact O-N 3.31Å; E264-D267 PolarHBondContact O-N 3.1Å; D267-I270 PolarHBondContact O-N 3.09Å; D267-E271 WeakPolarHBondContact O-CB 3.26Å; D267-E271 PolarHBondContact O-N 2.71Å
268Q93.9Very high92.2Very high97 Ų9799.9 Ų99.945%0.45348%0.477SS..Hα-helixtrans-61.7-45.1173.6-71.8176.537.300112.2E264 E265 C266 I270 E271 I272E264-Q268 WeakPolarHBondContact O-CG 3.35Å; E264-Q268 PolarHBondContact O-N 2.64Å; E264-Q268 VanDerWaalsContact O-N 3.09Å; E265-Q268 PolarHBondContact O-N 3.32Å; C266-Q268 VanDerWaalsContact C-N 3.32Å; C266-Q268 PolarHBondContact O-N 3.42Å; Q268-I270 VanDerWaalsContact C-N 3.34Å; Q268-I270 PolarHBondContact O-N 3.26Å; Q268-E271 PolarHBondContact O-N 3.29Å; Q268-I272 WeakPolarHBondContact O-CG1 3.3Å; Q268-I272 PolarHBondContact O-N 2.92Å
269L93.3Very high92.7Very high61 Ų6198.3 Ų98.332%0.31947%0.471SS..Hα-helixtrans-62-42.2176.3-71.1174.7000111.7E265 C266 E271 I272 I273 L376E265-L269 WeakPolarHBondContact O-CG 3.41Å; E265-L269 PolarHBondContact O-N 3.49Å; E265-L269 VanDerWaalsContact O-N 3.11Å; C266-L269 PolarHBondContact O-N 3.49Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-I272 PolarHBondContact O-N 2.93Å; L269-I273 VanDerWaalsContact O-CG1 3.3Å; L269-I273 WeakPolarHBondContact O-CG1 3.36Å; L269-I273 PolarHBondContact O-N 3.22Å; L269-L376 HydrophobicContact CD1-CD1 3.65Å; L269-L376 HydrophobicContact CD1-CD2 4.39Å
270I94.1Very high92.9Very high80 Ų8094.2 Ų94.241%0.4145%0.453SS..Hα-helixtrans-60.7-45.5175.4-70.3166.4000110.2C266 D267 Q268 I272 I273 Q274C266-I270 VanDerWaalsContact O-CG1 3.29Å; C266-I270 WeakPolarHBondContact O-CG1 3.43Å; C266-I270 PolarHBondContact O-N 2.86Å; D267-I270 PolarHBondContact O-N 3.09Å; Q268-I270 VanDerWaalsContact C-N 3.34Å; Q268-I270 PolarHBondContact O-N 3.26Å; I270-I272 PolarHBondContact O-N 3.09Å; I270-I273 PolarHBondContact O-N 3.14Å; I270-Q274 HydrophobicContact CG2-CG 4.26Å; I270-Q274 VanDerWaalsContact CG2-NE2 3.28Å; I270-Q274 WeakPolarHBondContact O-CB 3.25Å; I270-Q274 VanDerWaalsContact O-CG 3.26Å; I270-Q274 WeakPolarHBondContact O-CG 3.34Å; I270-Q274 PolarHBondContact O-N 2.9Å
271E96.4Very high93Very high108 Ų10892.6 Ų92.651%0.50545%0.448SS..Hα-helixtrans-59.3-47.6178.4-167.5-174.3168.300111D267 Q268 L269 I273 Q274 Q275D267-E271 WeakPolarHBondContact O-CB 3.26Å; D267-E271 PolarHBondContact O-N 2.71Å; Q268-E271 PolarHBondContact O-N 3.29Å; L269-E271 VanDerWaalsContact C-N 3.34Å; E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 3.26Å; E271-Q274 PolarHBondContact O-N 2.96Å; E271-Q275 HydrophobicContact CG-CG 4.4Å; E271-Q275 WeakPolarHBondContact O-CB 3.46Å; E271-Q275 VanDerWaalsContact O-CG 3.3Å; E271-Q275 WeakPolarHBondContact O-CG 3.34Å; E271-Q275 PolarHBondContact O-N 2.78Å; E271-Q275 PolarHBondContact OE1-NE2 3.16Å
272I95.4Very high93.3Very high95 Ų9591.5 Ų91.549%0.48745%0.449SS..Hα-helixtrans-58.5-46.8177.2-67.7166.9000110.7Q268 L269 I270 Q274 Q275 R276Q268-I272 WeakPolarHBondContact O-CG1 3.3Å; Q268-I272 PolarHBondContact O-N 2.92Å; L269-I272 PolarHBondContact O-N 2.93Å; I270-I272 PolarHBondContact O-N 3.09Å; I272-Q274 VanDerWaalsContact C-N 3.32Å; I272-Q274 PolarHBondContact O-N 2.85Å; I272-Q275 PolarHBondContact O-N 2.85Å; I272-R276 HydrophobicContact CG2-CG 4.34Å; I272-R276 WeakPolarHBondContact O-CB 3.22Å; I272-R276 VanDerWaalsContact O-CG 3.25Å; I272-R276 WeakPolarHBondContact O-CG 3.45Å; I272-R276 PolarHBondContact O-N 2.67Å
273I94.1Very high93.5Very high89 Ų8992.9 Ų92.946%0.45645%0.45SS..Hα-helixtrans-61.2-42.7178.2-69.3167.9000110.6L269 I270 E271 R276 R277 L373L269-I273 VanDerWaalsContact O-CG1 3.3Å; L269-I273 WeakPolarHBondContact O-CG1 3.36Å; L269-I273 PolarHBondContact O-N 3.22Å; I270-I273 PolarHBondContact O-N 3.14Å; E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 3.26Å; I273-R276 PolarHBondContact O-N 3.16Å; I273-R277 WeakPolarHBondContact O-CB 3.26Å; I273-R277 PolarHBondContact O-N 3.11Å; I273-L373 HydrophobicContact CD1-CD1 3.88Å; I273-L373 HydrophobicContact CD1-CD2 4.47Å
274Q95.6Very high93.4Very high95 Ų9590.1 Ų90.144%0.44444%0.437SS..Hα-helixtrans-64.9-42.8177.7-71.7-178.11900112.2I270 E271 I272 R277 Q278I270-Q274 HydrophobicContact CG2-CG 4.26Å; I270-Q274 VanDerWaalsContact CG2-NE2 3.28Å; I270-Q274 WeakPolarHBondContact O-CB 3.25Å; I270-Q274 VanDerWaalsContact O-CG 3.26Å; I270-Q274 WeakPolarHBondContact O-CG 3.34Å; I270-Q274 PolarHBondContact O-N 2.9Å; E271-Q274 PolarHBondContact O-N 2.96Å; I272-Q274 VanDerWaalsContact C-N 3.32Å; I272-Q274 PolarHBondContact O-N 2.85Å; Q274-R277 WeakPolarHBondContact O-CB 3.43Å; Q274-R277 PolarHBondContact O-N 3.45Å; Q274-Q278 WeakPolarHBondContact O-CG 3.47Å; Q274-Q278 PolarHBondContact O-N 3.09Å; Q274-Q278 VanDerWaalsContact O-N 3.07Å
275Q96.3Very high93.3Very high98 Ų9891.9 Ų91.946%0.45844%0.443SS..Hα-helixtrans-61.9-47.2175.4-71.4177.87.500110.9E271 I272 R277 Q278 I279E271-Q275 HydrophobicContact CG-CG 4.4Å; E271-Q275 WeakPolarHBondContact O-CB 3.46Å; E271-Q275 VanDerWaalsContact O-CG 3.3Å; E271-Q275 WeakPolarHBondContact O-CG 3.34Å; E271-Q275 PolarHBondContact O-N 2.78Å; E271-Q275 PolarHBondContact OE1-NE2 3.16Å; I272-Q275 PolarHBondContact O-N 2.85Å; Q275-R277 VanDerWaalsContact C-N 3.33Å; Q275-R277 PolarHBondContact O-N 3.39Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q275-Q278 VanDerWaalsContact O-N 3.14Å; Q275-I279 WeakPolarHBondContact O-CG1 3.35Å; Q275-I279 PolarHBondContact O-N 3.22Å
276R94.3Very high93.4Very high151 Ų15193.1 Ų93.157%0.5745%0.449SS*.Hα-helixtrans-62-39.8177.1-66.8-64.6-72.1-175.2-8.6111.9I272 I273 Q278 I279 I280I272-R276 HydrophobicContact CG2-CG 4.34Å; I272-R276 WeakPolarHBondContact O-CB 3.22Å; I272-R276 VanDerWaalsContact O-CG 3.25Å; I272-R276 WeakPolarHBondContact O-CG 3.45Å; I272-R276 PolarHBondContact O-N 2.67Å; I273-R276 PolarHBondContact O-N 3.16Å; R276-Q278 VanDerWaalsContact C-N 3.33Å; R276-Q278 PolarHBondContact O-N 2.86Å; R276-I279 PolarHBondContact O-N 3.23Å; R276-I280 WeakPolarHBondContact O-CB 3.3Å; R276-I280 VanDerWaalsContact O-CG1 3.29Å; R276-I280 WeakPolarHBondContact O-CG1 3.27Å; R276-I280 PolarHBondContact O-N 3.43Å
277R94Very high93.3Very high152 Ų15291.4 Ų91.457%0.57444%0.44SS*.Hα-helixtrans-56.9-45.4172.7177.9-175.666.5179.1-2.1111.6I273 Q274 Q275 G281I273-R277 WeakPolarHBondContact O-CB 3.26Å; I273-R277 PolarHBondContact O-N 3.11Å; Q274-R277 WeakPolarHBondContact O-CB 3.43Å; Q274-R277 PolarHBondContact O-N 3.45Å; Q275-R277 VanDerWaalsContact C-N 3.33Å; Q275-R277 PolarHBondContact O-N 3.39Å; R277-G281 PolarHBondContact O-N 3.34Å
278Q95.7Very high93.1Very high115 Ų11592.5 Ų92.554%0.53744%0.44SS..Hα-helixtrans-64-47178-66.4-60.8-12.700111.7Q274 Q275 R276 I280 G281 T282Q274-Q278 WeakPolarHBondContact O-CG 3.47Å; Q274-Q278 PolarHBondContact O-N 3.09Å; Q274-Q278 VanDerWaalsContact O-N 3.07Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q275-Q278 VanDerWaalsContact O-N 3.14Å; R276-Q278 VanDerWaalsContact C-N 3.33Å; R276-Q278 PolarHBondContact O-N 2.86Å; Q278-I280 PolarHBondContact O-N 2.89Å; Q278-G281 PolarHBondContact O-N 3.03Å; Q278-T282 WeakPolarHBondContact O-CG2 3.5Å; Q278-T282 PolarHBondContact O-N 2.82Å; Q278-T282 PolarHBondContact O-OG1 3.22Å
279I94.6Very high93Very high74 Ų7491.7 Ų91.738%0.37944%0.441SS..Hα-helixtrans-61.3-43.7179.9-65.7166.1000111.8Q275 R276 T282 K283Q275-I279 WeakPolarHBondContact O-CG1 3.35Å; Q275-I279 PolarHBondContact O-N 3.22Å; R276-I279 PolarHBondContact O-N 3.23Å; I279-T282 PolarHBondContact O-OG1 3.4Å; I279-K283 WeakPolarHBondContact O-CG 3.43Å; I279-K283 PolarHBondContact O-N 2.88Å
280I92.3Very high92.8Very high37 Ų3792.3 Ų92.319%0.1945%0.447CS..Hα-helixtrans-68.1-41.8177.9-66.1170.3000109.7R276 Q278 T282 K283 I284 F362 L364 F366R276-I280 WeakPolarHBondContact O-CB 3.3Å; R276-I280 VanDerWaalsContact O-CG1 3.29Å; R276-I280 WeakPolarHBondContact O-CG1 3.27Å; R276-I280 PolarHBondContact O-N 3.43Å; Q278-I280 PolarHBondContact O-N 2.89Å; I280-T282 PolarHBondContact O-N 2.93Å; I280-K283 PolarHBondContact O-N 2.75Å; I280-I284 HydrophobicContact CG2-CD1 4.09Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.41Å; I280-I284 VanDerWaalsContact O-N 3.07Å; I280-F362 HydrophobicContact CG2-CZ 4.07Å; I280-L364 HydrophobicContact CG2-CD2 3.96Å; I280-F366 HydrophobicContact CD1-CE1 4.11Å; I280-F366 HydrophobicContact CD1-CZ 4Å
281G92.1Very high92.4Very high26 Ų2691.5 Ų91.527%0.26844%0.439SS..Hα-helixtrans-60.6-40.8177.400000113.7R277 Q278 I284 K285R277-G281 PolarHBondContact O-N 3.34Å; Q278-G281 PolarHBondContact O-N 3.03Å; G281-I284 PolarHBondContact O-N 2.81Å; G281-K285 WeakPolarHBondContact O-CG 3.46Å; G281-K285 PolarHBondContact O-N 3.02Å; G281-K285 VanDerWaalsContact O-N 3.14Å
282T93.7Very high92.1Very high64 Ų6491 Ų9139%0.39344%0.439SS..Hα-helixtrans-66-44.417652.40000111.5Q278 I279 I280 I284 K285 E286Q278-T282 WeakPolarHBondContact O-CG2 3.5Å; Q278-T282 PolarHBondContact O-N 2.82Å; Q278-T282 PolarHBondContact O-OG1 3.22Å; I279-T282 PolarHBondContact O-OG1 3.4Å; I280-T282 PolarHBondContact O-N 2.93Å; T282-I284 VanDerWaalsContact C-N 3.29Å; T282-I284 PolarHBondContact O-N 3.43Å; T282-K285 PolarHBondContact O-N 3.1Å; T282-K285 VanDerWaalsContact O-N 3.09Å; T282-E286 WeakPolarHBondContact O-CG 3.42Å; T282-E286 PolarHBondContact O-N 3.21Å
283K90.6Very high91.8Very high136 Ų13694.8 Ų94.859%0.59145%0.448SS*.Hα-helixtrans-57.7-39.9175.8-73.6-177178.9-173.40112.8I279 I280 G287I279-K283 WeakPolarHBondContact O-CG 3.43Å; I279-K283 PolarHBondContact O-N 2.88Å; I280-K283 PolarHBondContact O-N 2.75Å; K283-G287 PolarHBondContact O-N 3.41Å
284I89.4Confident91.5Very high54 Ų5495.5 Ų95.528%0.27745%0.447SS..Hα-helixtrans-63.5-47.1175.6-67.3167.5000110.5I280 G281 T282 G287 K288 F359 F362I280-I284 HydrophobicContact CG2-CD1 4.09Å; I280-I284 WeakPolarHBondContact O-CG1 3.45Å; I280-I284 PolarHBondContact O-N 3.41Å; I280-I284 VanDerWaalsContact O-N 3.07Å; G281-I284 PolarHBondContact O-N 2.81Å; T282-I284 VanDerWaalsContact C-N 3.29Å; T282-I284 PolarHBondContact O-N 3.43Å; I284-G287 PolarHBondContact O-N 2.71Å; I284-K288 WeakPolarHBondContact O-CB 3.36Å; I284-K288 PolarHBondContact O-N 2.73Å; I284-F359 HydrophobicContact CB-CZ 4.26Å; I284-F359 HydrophobicContact CG1-CZ 4.34Å; I284-F359 HydrophobicContact CG2-CE1 4.14Å; I284-F359 HydrophobicContact CG2-CZ 3.81Å; I284-F362 HydrophobicContact CD1-CD1 4.44Å; I284-F362 HydrophobicContact CD1-CE1 3.51Å; I284-F362 HydrophobicContact CD1-CZ 3.72Å; I284-F362 HydrophobicContact CG1-CD1 4.31Å; I284-F362 HydrophobicContact CG1-CE1 3.59Å; I284-F362 HydrophobicContact CG1-CE2 4.14Å; I284-F362 HydrophobicContact CG1-CZ 3.49Å; I284-F362 VanDerWaalsContact CG1-CZ 3.49Å
285K91.3Very high91.1Very high147 Ų14793.9 Ų93.964%0.63944%0.441SS*.Hα-helixtrans-61.7-46.3178.7-71.4175.2-176.7178.10111.9G281 T282 K288 V289G281-K285 WeakPolarHBondContact O-CG 3.46Å; G281-K285 PolarHBondContact O-N 3.02Å; G281-K285 VanDerWaalsContact O-N 3.14Å; T282-K285 PolarHBondContact O-N 3.1Å; T282-K285 VanDerWaalsContact O-N 3.09Å; K285-K288 WeakPolarHBondContact O-CB 3.39Å; K285-K288 PolarHBondContact O-N 2.8Å; K285-V289 WeakPolarHBondContact O-CG2 3.26Å; K285-V289 PolarHBondContact O-N 2.72Å
286E90.5Very high90.8Very high121 Ų12192 Ų9257%0.56544%0.442SS*.Hα-helixtrans-61.7-48177.2-72.1170.5-178.100111.4T282 K288 V289 V290T282-E286 WeakPolarHBondContact O-CG 3.42Å; T282-E286 PolarHBondContact O-N 3.21Å; E286-K288 VanDerWaalsContact C-N 3.26Å; E286-K288 PolarHBondContact O-N 2.89Å; E286-V289 PolarHBondContact O-N 3.1Å; E286-V289 VanDerWaalsContact O-N 3.13Å; E286-V290 WeakPolarHBondContact O-CG2 3.48Å; E286-V290 PolarHBondContact O-N 2.77Å
287G87.8Confident90.6Very high16 Ų1690 Ų9017%0.16544%0.44CS..Hα-helixtrans-59.3-36.6176.800000112.9K283 I284 R291K283-G287 PolarHBondContact O-N 3.41Å; I284-G287 PolarHBondContact O-N 2.71Å; G287-R291 WeakPolarHBondContact O-CG 3.27Å; G287-R291 PolarHBondContact O-N 3.49Å; G287-R291 PolarHBondContact O-NH1 2.96Å
288K88.9Confident90.3Very high127 Ų12784.7 Ų84.755%0.55242%0.421SS*.Hα-helixtrans-65.7-49172.7177.3-176.5175.8179.20111.3I284 K285 E286 V290 R291 L292I284-K288 WeakPolarHBondContact O-CB 3.36Å; I284-K288 PolarHBondContact O-N 2.73Å; K285-K288 WeakPolarHBondContact O-CB 3.39Å; K285-K288 PolarHBondContact O-N 2.8Å; E286-K288 VanDerWaalsContact C-N 3.26Å; E286-K288 PolarHBondContact O-N 2.89Å; K288-V290 PolarHBondContact O-N 3.01Å; K288-R291 PolarHBondContact O-N 2.81Å; K288-L292 HydrophobicContact CD-CD1 4.45Å; K288-L292 HydrophobicContact CG-CD1 3.88Å; K288-L292 HydrophobicContact CG-CG 4.34Å; K288-L292 WeakPolarHBondContact O-CB 3.21Å; K288-L292 WeakPolarHBondContact O-CG 3.27Å; K288-L292 PolarHBondContact O-N 2.83Å
289V91.8Very high90Very high80 Ų8083.8 Ų83.849%0.48542%0.419SS..Hα-helixtrans-60.5-44.6-178.4169.40000111.4K285 E286 L292 R293K285-V289 WeakPolarHBondContact O-CG2 3.26Å; K285-V289 PolarHBondContact O-N 2.72Å; E286-V289 PolarHBondContact O-N 3.1Å; E286-V289 VanDerWaalsContact O-N 3.13Å; V289-L292 PolarHBondContact O-N 2.78Å; V289-R293 WeakPolarHBondContact O-CB 3.3Å; V289-R293 PolarHBondContact O-N 2.81Å
290V89.3Confident89.8Confident74 Ų7482.6 Ų82.645%0.44842%0.42SS..Hα-helixtrans-61.2-46.5179.2172.10000111.3E286 K288 R293 K294E286-V290 WeakPolarHBondContact O-CG2 3.48Å; E286-V290 PolarHBondContact O-N 2.77Å; K288-V290 PolarHBondContact O-N 3.01Å; V290-R293 PolarHBondContact O-N 3.49Å; V290-K294 PolarHBondContact O-N 3.06Å
291R87.1Confident89.5Confident62 Ų6283.9 Ų83.923%0.23443%0.427CS..Hα-helixtrans-66.8-44.5179.3-72.3176.7-177.786.4-7.9112.4G287 K288 R293 K294 L295 D357 T358G287-R291 WeakPolarHBondContact O-CG 3.27Å; G287-R291 PolarHBondContact O-N 3.49Å; G287-R291 PolarHBondContact O-NH1 2.96Å; K288-R291 PolarHBondContact O-N 2.81Å; R291-R293 VanDerWaalsContact C-N 3.25Å; R291-R293 PolarHBondContact O-N 3.08Å; R291-K294 WeakPolarHBondContact O-CB 3.25Å; R291-K294 PolarHBondContact O-N 2.99Å; R291-K294 VanDerWaalsContact O-N 3.13Å; R291-L295 PolarHBondContact O-N 2.87Å; R291-D357 IonicContact NE-OD1 3.96Å; R291-T358 PolarHBondContact NE-O 3.4Å
292L88.9Confident89.3Confident97 Ų9784 Ų8451%0.50842%0.423SS..Hα-helixtrans-59.2-38.3174.8-74.3177.4000111.8K288 V289 L295 A296K288-L292 HydrophobicContact CD-CD1 4.45Å; K288-L292 HydrophobicContact CG-CD1 3.88Å; K288-L292 HydrophobicContact CG-CG 4.34Å; K288-L292 WeakPolarHBondContact O-CB 3.21Å; K288-L292 WeakPolarHBondContact O-CG 3.27Å; K288-L292 PolarHBondContact O-N 2.83Å; V289-L292 PolarHBondContact O-N 2.78Å; L292-L295 PolarHBondContact O-N 2.78Å; L292-A296 VanDerWaalsContact O-CB 3.28Å; L292-A296 WeakPolarHBondContact O-CB 3.46Å; L292-A296 PolarHBondContact O-N 2.84Å
293R89.8Confident89Confident176 Ų17687 Ų8766%0.66443%0.431SS*.Hα-helixtrans-64.2-43.6175-175.1-179.1-75.4145.4-4.9111.9V289 V290 R291 A296 Q297V289-R293 WeakPolarHBondContact O-CB 3.3Å; V289-R293 PolarHBondContact O-N 2.81Å; V290-R293 PolarHBondContact O-N 3.49Å; R291-R293 VanDerWaalsContact C-N 3.25Å; R291-R293 PolarHBondContact O-N 3.08Å; R293-A296 PolarHBondContact O-N 2.85Å; R293-Q297 PolarHBondContact O-N 3.34Å
294K87.4Confident88.9Confident103 Ų10384.9 Ų84.945%0.44842%0.423SS..Hα-helixtrans-61.8-45.9175.7-71.4178.4-177.7-178.50112V290 R291 Q297 Q298 D357V290-K294 PolarHBondContact O-N 3.06Å; R291-K294 WeakPolarHBondContact O-CB 3.25Å; R291-K294 PolarHBondContact O-N 2.99Å; R291-K294 VanDerWaalsContact O-N 3.13Å; K294-Q297 WeakPolarHBondContact O-CB 3.43Å; K294-Q297 PolarHBondContact O-N 2.96Å; K294-Q298 PolarHBondContact O-N 2.73Å; K294-D357 WeakPolarHBondContact CD-OD2 3.4Å; K294-D357 IonicContact NZ-OD2 3.13Å; K294-D357 PolarHBondContact NZ-OD2 3.31Å
295L87.7Confident88.7Confident62 Ų6283.3 Ų83.333%0.32542%0.417SS..Hα-helixtrans-63.2-43.4177.4-71.3171.9000111.5R291 L292 Q297 Q298 I299R291-L295 PolarHBondContact O-N 2.87Å; L292-L295 PolarHBondContact O-N 2.78Å; L295-Q297 VanDerWaalsContact C-N 3.27Å; L295-Q297 PolarHBondContact O-N 3.02Å; L295-Q298 PolarHBondContact O-N 2.9Å; L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.35Å; L295-I299 PolarHBondContact O-N 3.46Å
296A90.3Very high88.5Confident57 Ų5781.5 Ų81.547%0.47141%0.413SS..Hα-helixtrans-58.9-39.4174.800000112L292 R293 I299 A300L292-A296 VanDerWaalsContact O-CB 3.28Å; L292-A296 WeakPolarHBondContact O-CB 3.46Å; L292-A296 PolarHBondContact O-N 2.84Å; R293-A296 PolarHBondContact O-N 2.85Å; A296-I299 PolarHBondContact O-N 3.04Å; A296-A300 WeakPolarHBondContact O-CB 3.1Å; A296-A300 PolarHBondContact O-N 3.29Å
297Q89.3Confident88.4Confident111 Ų11182.2 Ų82.252%0.51942%0.416SS..Hα-helixtrans-65.7-44.1175.2-173.162.350.500112.1R293 K294 L295 I299 A300 N301R293-Q297 PolarHBondContact O-N 3.34Å; K294-Q297 WeakPolarHBondContact O-CB 3.43Å; K294-Q297 PolarHBondContact O-N 2.96Å; L295-Q297 VanDerWaalsContact C-N 3.27Å; L295-Q297 PolarHBondContact O-N 3.02Å; Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 3.25Å; Q297-A300 PolarHBondContact O-N 3.14Å; Q297-N301 PolarHBondContact NE2-OD1 3.42Å; Q297-N301 VanDerWaalsContact O-CG 3.24Å; Q297-N301 PolarHBondContact O-N 3.27Å; Q297-N301 PolarHBondContact O-OD1 2.6Å
298Q88.4Confident88.3Confident40 Ų4088.7 Ų88.719%0.18744%0.436CS..Hα-helixtrans-62.4-41.7176.1-69.9-178.417.300111.5K294 L295 A300 N301 C302 N354K294-Q298 PolarHBondContact O-N 2.73Å; L295-Q298 PolarHBondContact O-N 2.9Å; Q298-A300 PolarHBondContact O-N 2.87Å; Q298-N301 PolarHBondContact O-N 2.97Å; Q298-C302 PolarHBondContact O-N 3.49Å; Q298-C302 PolarHBondContact O-SG 2.79Å; Q298-N354 PolarHBondContact OE1-O 2.89Å
299I88.5Confident88.2Confident96 Ų9684 Ų8449%0.49242%0.419SS..Hα-helixtrans-60.2-45.3174.5-69166.3000110.7L295 A296 Q297 C302 K303L295-I299 VanDerWaalsContact O-CG1 3.27Å; L295-I299 WeakPolarHBondContact O-CG1 3.35Å; L295-I299 PolarHBondContact O-N 3.46Å; A296-I299 PolarHBondContact O-N 3.04Å; Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 3.25Å; I299-C302 PolarHBondContact O-N 2.82Å; I299-K303 HydrophobicContact CG2-CD 4.26Å; I299-K303 HydrophobicContact CG2-CG 4.49Å; I299-K303 WeakPolarHBondContact O-CG 3.26Å; I299-K303 PolarHBondContact O-N 2.86Å
300A90Very high88.1Confident48 Ų4883.7 Ų83.740%0.39742%0.418SS..Hα-helixtrans-61.7-43.717800000112A296 Q297 Q298 C302 K303 Q304A296-A300 WeakPolarHBondContact O-CB 3.1Å; A296-A300 PolarHBondContact O-N 3.29Å; Q297-A300 PolarHBondContact O-N 3.14Å; Q298-A300 PolarHBondContact O-N 2.87Å; A300-C302 PolarHBondContact O-N 2.84Å; A300-K303 PolarHBondContact O-N 3.06Å; A300-Q304 PolarHBondContact O-N 2.89Å
301N86.8Confident88.1Confident65 Ų6583 Ų8335%0.34842%0.416SS..Hα-helixtrans-61.9-42.7176.7-67.4-4000111.7Q297 Q298 Q304 C305Q297-N301 PolarHBondContact NE2-OD1 3.42Å; Q297-N301 VanDerWaalsContact O-CG 3.24Å; Q297-N301 PolarHBondContact O-N 3.27Å; Q297-N301 PolarHBondContact O-OD1 2.6Å; Q298-N301 PolarHBondContact O-N 2.97Å; N301-Q304 PolarHBondContact O-N 2.94Å; N301-C305 PolarHBondContact O-N 3.46Å; N301-C305 PolarHBondContact O-SG 2.82Å
302C86.8Confident88.2Confident27 Ų2781.1 Ų81.118%0.18241%0.41CS..Hα-helixtrans-62.6-47.2176.1-66.50000111.6Q298 I299 A300 Q304 C305 I306Q298-C302 PolarHBondContact O-N 3.49Å; Q298-C302 PolarHBondContact O-SG 2.79Å; I299-C302 PolarHBondContact O-N 2.82Å; A300-C302 PolarHBondContact O-N 2.84Å; C302-Q304 VanDerWaalsContact C-N 3.29Å; C302-Q304 PolarHBondContact O-N 2.87Å; C302-C305 PolarHBondContact O-N 3.15Å; C302-I306 WeakPolarHBondContact O-CG1 3.48Å; C302-I306 PolarHBondContact O-N 3.36Å
303K88.4Confident88.2Confident129 Ų12981 Ų8156%0.56141%0.409SS*.Hα-helixtrans-56.5-44.3176.4-75.1-178.8177.5-174.90111.6I299 A300 C305 I306 E307I299-K303 HydrophobicContact CG2-CD 4.26Å; I299-K303 HydrophobicContact CG2-CG 4.49Å; I299-K303 WeakPolarHBondContact O-CG 3.26Å; I299-K303 PolarHBondContact O-N 2.86Å; A300-K303 PolarHBondContact O-N 3.06Å; K303-C305 PolarHBondContact O-N 2.87Å; K303-I306 PolarHBondContact O-N 3.04Å; K303-E307 WeakPolarHBondContact O-CG 3.45Å; K303-E307 PolarHBondContact O-N 3.22Å
304Q87.8Confident88.3Confident90 Ų9075.6 Ų75.642%0.42140%0.398SS..Hα-helixtrans-65-39.2178.6-168.5178.232.200112.8A300 N301 C302 I306 E307 R308A300-Q304 PolarHBondContact O-N 2.89Å; N301-Q304 PolarHBondContact O-N 2.94Å; C302-Q304 VanDerWaalsContact C-N 3.29Å; C302-Q304 PolarHBondContact O-N 2.87Å; Q304-I306 VanDerWaalsContact C-N 3.35Å; Q304-E307 PolarHBondContact O-N 2.77Å; Q304-R308 WeakPolarHBondContact O-CG 3.45Å; Q304-R308 PolarHBondContact O-N 2.86Å
305C86.6Confident88.4Confident22 Ų2274 Ų7415%0.14939%0.392CS..Hα-helixtrans-65.7-39.6176.1-66.30000111.6N301 C302 K303 S309 P351N301-C305 PolarHBondContact O-N 3.46Å; N301-C305 PolarHBondContact O-SG 2.82Å; C302-C305 PolarHBondContact O-N 3.15Å; K303-C305 PolarHBondContact O-N 2.87Å; C305-S309 WeakPolarHBondContact O-CB 3.29Å; C305-S309 PolarHBondContact O-N 2.9Å; C305-S309 PolarHBondContact O-OG 2.92Å; C305-P351 HydrophobicContact CB-CG 4.33Å
306I86.1Confident88.5Confident109 Ų10972 Ų7256%0.55939%0.385SS*.Hα-helixtrans-61.6-50.1173.6-67166.6000110.2C302 K303 Q304 R308 S309 T310C302-I306 WeakPolarHBondContact O-CG1 3.48Å; C302-I306 PolarHBondContact O-N 3.36Å; K303-I306 PolarHBondContact O-N 3.04Å; Q304-I306 VanDerWaalsContact C-N 3.35Å; I306-R308 PolarHBondContact O-N 3.47Å; I306-S309 PolarHBondContact O-N 2.8Å; I306-T310 WeakPolarHBondContact O-CB 3.36Å; I306-T310 PolarHBondContact O-N 3.32Å; I306-T310 PolarHBondContact O-OG1 3.34Å
307E89.1Confident88.5Confident135 Ų13574.1 Ų74.163%0.63139%0.385SS*.Hα-helixtrans-57.6-45.9179.4-76.5173-172.300112.8K303 Q304 T310 S311K303-E307 WeakPolarHBondContact O-CG 3.45Å; K303-E307 PolarHBondContact O-N 3.22Å; Q304-E307 PolarHBondContact O-N 2.77Å; E307-T310 PolarHBondContact O-N 3.03Å; E307-S311 PolarHBondContact O-N 3Å
308R85.8Confident88.5Confident153 Ų15375 Ų7558%0.57739%0.389SS*.Hα-helixtrans-62.4-43.5177-70.9175.2-173.2172.24.1111.7Q304 I306 S311 L312Q304-R308 WeakPolarHBondContact O-CG 3.45Å; Q304-R308 PolarHBondContact O-N 2.86Å; I306-R308 PolarHBondContact O-N 3.47Å; R308-S311 PolarHBondContact O-N 2.82Å; R308-L312 PolarHBondContact O-N 2.89Å
309S86.2Confident88.6Confident27 Ų2774 Ų7419%0.18939%0.387CS..Hα-helixtrans-65.4-46179.6-58.30000111.1C305 I306 S311 L312 I313C305-S309 WeakPolarHBondContact O-CB 3.29Å; C305-S309 PolarHBondContact O-N 2.9Å; C305-S309 PolarHBondContact O-OG 2.92Å; I306-S309 PolarHBondContact O-N 2.8Å; S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 PolarHBondContact O-N 3.35Å; S309-L312 PolarHBondContact O-N 3.33Å; S309-I313 VanDerWaalsContact O-CG1 3.27Å; S309-I313 WeakPolarHBondContact O-CG1 3.15Å; S309-I313 PolarHBondContact O-N 3.04Å
310T89.4Confident88.6Confident75 Ų7575.7 Ų75.746%0.4640%0.396SS..Hα-helixtrans-59-43.1175.6-57.60000111.6I306 E307 L312 I313 S314I306-T310 WeakPolarHBondContact O-CB 3.36Å; I306-T310 PolarHBondContact O-N 3.32Å; I306-T310 PolarHBondContact O-OG1 3.34Å; E307-T310 PolarHBondContact O-N 3.03Å; T310-L312 PolarHBondContact O-N 3.46Å; T310-I313 PolarHBondContact O-N 3.03Å; T310-S314 PolarHBondContact O-N 2.92Å; T310-S314 PolarHBondContact O-OG 3.33Å
311S90.1Very high88.6Confident58 Ų5880 Ų8041%0.40641%0.406SS..Hα-helixtrans-63-41.8176.5-173.50000112.5E307 R308 S309 S314 Q315E307-S311 PolarHBondContact O-N 3Å; R308-S311 PolarHBondContact O-N 2.82Å; S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 PolarHBondContact O-N 3.35Å; S311-S314 PolarHBondContact O-N 3.45Å; S311-Q315 WeakPolarHBondContact O-CG 3.4Å; S311-Q315 PolarHBondContact O-N 2.8Å; S311-Q315 PolarHBondContact OG-NE2 3.25Å
312L89Confident88.7Confident23 Ų2380.7 Ų80.712%0.1241%0.407CS..Hα-helixtrans-65.7-39.8176.7-176.961.9000111.7R308 S309 T310 Q315 A316 R338 V339 A342R308-L312 PolarHBondContact O-N 2.89Å; S309-L312 PolarHBondContact O-N 3.33Å; T310-L312 PolarHBondContact O-N 3.46Å; L312-Q315 PolarHBondContact O-N 3.47Å; L312-A316 WeakPolarHBondContact O-CB 3.02Å; L312-A316 PolarHBondContact O-N 3.39Å; L312-R338 HydrophobicContact CD1-CB 3.98Å; L312-V339 HydrophobicContact CD1-CG2 4.18Å; L312-V339 HydrophobicContact CD2-CG2 4.25Å; L312-V339 HydrophobicContact CG-CG2 4.04Å; L312-A342 HydrophobicContact CD2-CB 3.74Å
313I88.7Confident88.8Confident94 Ų9486.2 Ų86.248%0.48244%0.435SS..Hα-helixtrans-59.7-50.2173.8-69.2164.5000110S309 T310 Q315 A316 E317S309-I313 VanDerWaalsContact O-CG1 3.27Å; S309-I313 WeakPolarHBondContact O-CG1 3.15Å; S309-I313 PolarHBondContact O-N 3.04Å; T310-I313 PolarHBondContact O-N 3.03Å; I313-Q315 VanDerWaalsContact C-N 3.31Å; I313-Q315 PolarHBondContact O-N 3.19Å; I313-A316 PolarHBondContact O-N 3.11Å; I313-A316 VanDerWaalsContact O-N 3.14Å; I313-E317 HydrophobicContact CG2-CG 4.26Å; I313-E317 WeakPolarHBondContact O-CG 3.4Å; I313-E317 PolarHBondContact O-N 3Å
314S91.7Very high88.9Confident63 Ų6383.6 Ų83.644%0.44143%0.427SS..Hα-helixtrans-59.2-38.7177.2-63.70000113.1T310 S311 Q318T310-S314 PolarHBondContact O-N 2.92Å; T310-S314 PolarHBondContact O-OG 3.33Å; S311-S314 PolarHBondContact O-N 3.45Å; S314-Q318 VanDerWaalsContact O-CB 3.3Å; S314-Q318 WeakPolarHBondContact O-CB 3.37Å; S314-Q318 PolarHBondContact O-N 2.9Å
315Q89.9Confident88.9Confident70 Ų7086.7 Ų86.733%0.32744%0.441SS..Hα-helixtrans-65.9-40.7175.7-72.9171.636.700112.3S311 L312 I313 S319S311-Q315 WeakPolarHBondContact O-CG 3.4Å; S311-Q315 PolarHBondContact O-N 2.8Å; S311-Q315 PolarHBondContact OG-NE2 3.25Å; L312-Q315 PolarHBondContact O-N 3.47Å; I313-Q315 VanDerWaalsContact C-N 3.31Å; I313-Q315 PolarHBondContact O-N 3.19Å; Q315-S319 PolarHBondContact O-N 2.81Å; Q315-S319 VanDerWaalsContact O-N 3.11Å; Q315-S319 PolarHBondContact O-OG 2.73Å
316A89.5Confident89Confident21 Ų2189 Ų8917%0.17446%0.462CS..Hα-helixtrans-66-4817600000111.5L312 I313 Q318 S319 L320 I335 V339L312-A316 WeakPolarHBondContact O-CB 3.02Å; L312-A316 PolarHBondContact O-N 3.39Å; I313-A316 PolarHBondContact O-N 3.11Å; I313-A316 VanDerWaalsContact O-N 3.14Å; A316-Q318 VanDerWaalsContact C-N 3.32Å; A316-Q318 PolarHBondContact O-N 3.1Å; A316-S319 PolarHBondContact O-N 2.89Å; A316-L320 WeakPolarHBondContact O-CG 3.15Å; A316-L320 PolarHBondContact O-N 3.18Å; A316-I335 HydrophobicContact CB-CG2 3.93Å; A316-V339 HydrophobicContact CB-CG2 4.14Å
317E91Very high88.9Confident101 Ų10191.4 Ų91.447%0.47246%0.464SS..Hα-helixtrans-58.9-41.8176-73.5-178.5164.900112.4I313 S319 L320 K321I313-E317 HydrophobicContact CG2-CG 4.26Å; I313-E317 WeakPolarHBondContact O-CG 3.4Å; I313-E317 PolarHBondContact O-N 3Å; E317-S319 VanDerWaalsContact C-N 3.32Å; E317-S319 PolarHBondContact O-N 2.9Å; E317-L320 PolarHBondContact O-N 3.04Å; E317-K321 WeakPolarHBondContact O-CG 3.39Å; E317-K321 PolarHBondContact O-N 3.43Å
318Q89.3Confident89Confident128 Ų12888.3 Ų88.360%0.59845%0.449SS*.Hα-helixtrans-65.2-38.4178.1-174.161.321.200111.7S314 A316 K321S314-Q318 VanDerWaalsContact O-CB 3.3Å; S314-Q318 WeakPolarHBondContact O-CB 3.37Å; S314-Q318 PolarHBondContact O-N 2.9Å; A316-Q318 VanDerWaalsContact C-N 3.32Å; A316-Q318 PolarHBondContact O-N 3.1Å; Q318-K321 PolarHBondContact O-N 2.98Å
319S89.1Confident89.1Confident20 Ų2087.1 Ų87.114%0.1445%0.453CS..Hα-helixtrans-71.2-33.1177.9-57.30000112.1Q315 A316 E317 K321 E322 F328 I335Q315-S319 PolarHBondContact O-N 2.81Å; Q315-S319 VanDerWaalsContact O-N 3.11Å; Q315-S319 PolarHBondContact O-OG 2.73Å; A316-S319 PolarHBondContact O-N 2.89Å; E317-S319 VanDerWaalsContact C-N 3.32Å; E317-S319 PolarHBondContact O-N 2.9Å; S319-K321 PolarHBondContact O-N 3.15Å; S319-E322 WeakPolarHBondContact O-CB 3.44Å; S319-E322 PolarHBondContact O-N 2.9Å; S319-F328 VanDerWaalsContact O-CD2 3.29Å; S319-F328 WeakPolarHBondContact O-CD2 3.13Å; S319-F328 WeakPolarHBondContact O-CE2 3.42Å; S319-I335 WeakPolarHBondContact OG-CD1 3.4Å
320L88.6Confident89Confident132 Ų13293.6 Ų93.669%0.69148%0.481SS*.Hα-helixtrans-66.3-19.6172.9-70.5170.4000113.4A316 E317A316-L320 WeakPolarHBondContact O-CG 3.15Å; A316-L320 PolarHBondContact O-N 3.18Å; E317-L320 PolarHBondContact O-N 3.04Å
321K90.7Very high88.8Confident139 Ų13993 Ų9360%0.60448%0.477SS*.THydrogen-bonded Turntrans-88.3-2.7175.1-67.5172.3-173.8172.30113.5E317 Q318 S319E317-K321 WeakPolarHBondContact O-CG 3.39Å; E317-K321 PolarHBondContact O-N 3.43Å; Q318-K321 PolarHBondContact O-N 2.98Å; S319-K321 PolarHBondContact O-N 3.15Å
322E90Very high88.6Confident78 Ų7890.9 Ų90.936%0.36446%0.463SS..  trans-73.2127.7178-178.755.9-96.900110.6S319 D324 R327 F328S319-E322 WeakPolarHBondContact O-CB 3.44Å; S319-E322 PolarHBondContact O-N 2.9Å; E322-D324 PolarHBondContact OE1-N 3.05Å; E322-R327 HydrophobicContact CG-CB 4.24Å; E322-F328 HydrophobicContact CB-CB 4.47Å; E322-F328 HydrophobicContact CB-CD2 4.47Å; E322-F328 HydrophobicContact CG-CB 4.17Å
323N87.2Confident88.4Confident143 Ų14396.8 Ų96.877%0.76549%0.487SS*.  trans-98.5-19.9-175.9-69.2-38.1000112.3H325N323-H325 PolarHBondContact O-N 2.92Å; N323-H325 PolarHBondContact O-ND1 3.12Å
324D91.8Very high88.4Confident75 Ų7596.5 Ų96.540%0.40149%0.487SS..  trans-78.9114.9173.7-175.5-48.6000110.4E322 A326 R327 F328E322-D324 PolarHBondContact OE1-N 3.05Å; D324-A326 VanDerWaalsContact C-N 3.31Å; D324-A326 PolarHBondContact O-N 2.85Å; D324-A326 WeakPolarHBondContact OD1-CB 3.28Å; D324-A326 PolarHBondContact OD1-N 2.86Å; D324-R327 HydrophobicContact CB-CB 4.15Å; D324-R327 HydrophobicContact CB-CG 4.33Å; D324-R327 PolarHBondContact O-N 3.4Å; D324-R327 PolarHBondContact OD1-N 2.96Å; D324-F328 WeakPolarHBondContact O-CB 3.44Å; D324-F328 PolarHBondContact O-N 3.23Å
325H87.7Confident88.3Confident154 Ų15494.6 Ų94.671%0.71347%0.471SS*.Hα-helixtrans-65.9-32-173.3-66.253000112.7N323 L329N323-H325 PolarHBondContact O-N 2.92Å; N323-H325 PolarHBondContact O-ND1 3.12Å; H325-L329 WeakPolarHBondContact O-CB 3.42Å; H325-L329 VanDerWaalsContact O-CG 3.27Å; H325-L329 WeakPolarHBondContact O-CG 3.42Å; H325-L329 PolarHBondContact O-N 2.94Å; H325-L329 VanDerWaalsContact O-N 3.11Å
326A87.4Confident88.1Confident72 Ų7295.7 Ų95.760%0.59548%0.483SS*.Hα-helixtrans-75.8-42.1-179.800000111.2D324 L329 Q330D324-A326 VanDerWaalsContact C-N 3.31Å; D324-A326 PolarHBondContact O-N 2.85Å; D324-A326 WeakPolarHBondContact OD1-CB 3.28Å; D324-A326 PolarHBondContact OD1-N 2.86Å; A326-L329 PolarHBondContact O-N 3.43Å; A326-Q330 PolarHBondContact O-N 3.01Å
327R85.2Confident88Confident158 Ų15899.5 Ų99.560%0.59650%0.497SS*.Hα-helixtrans-65.6-40.3174-73-168.6-179.71792.4112.2E322 D324 Q330 T331E322-R327 HydrophobicContact CG-CB 4.24Å; D324-R327 HydrophobicContact CB-CB 4.15Å; D324-R327 HydrophobicContact CB-CG 4.33Å; D324-R327 PolarHBondContact O-N 3.4Å; D324-R327 PolarHBondContact OD1-N 2.96Å; R327-Q330 PolarHBondContact O-N 2.75Å; R327-T331 PolarHBondContact O-N 3.08Å; R327-T331 PolarHBondContact O-OG1 3.16Å
328F90.9Very high87.8Confident71 Ų7199.6 Ų99.631%0.31149%0.493SS..Hα-helixtrans-58.1-52.6174.5176.8-99.5000111.1S319 E322 D324 Q330 T331 A332S319-F328 VanDerWaalsContact O-CD2 3.29Å; S319-F328 WeakPolarHBondContact O-CD2 3.13Å; S319-F328 WeakPolarHBondContact O-CE2 3.42Å; E322-F328 HydrophobicContact CB-CB 4.47Å; E322-F328 HydrophobicContact CB-CD2 4.47Å; E322-F328 HydrophobicContact CG-CB 4.17Å; D324-F328 WeakPolarHBondContact O-CB 3.44Å; D324-F328 PolarHBondContact O-N 3.23Å; F328-Q330 PolarHBondContact O-N 3.22Å; F328-T331 PolarHBondContact O-N 3.32Å; F328-T331 PolarHBondContact O-OG1 2.88Å; F328-A332 HydrophobicContact CD1-CB 4.08Å; F328-A332 HydrophobicContact CD2-CB 4.28Å; F328-A332 HydrophobicContact CE1-CB 3.77Å; F328-A332 HydrophobicContact CE2-CB 3.99Å; F328-A332 HydrophobicContact CG-CB 4.33Å; F328-A332 HydrophobicContact CZ-CB 3.73Å; F328-A332 WeakPolarHBondContact O-CA 3.45Å; F328-A332 WeakPolarHBondContact O-CB 2.99Å; F328-A332 PolarHBondContact O-N 2.91Å
329L86.8Confident87.7Confident128 Ų12895.9 Ų95.967%0.6748%0.479SS*.Hα-helixtrans-61.4-29.9-179.4-72.7170.9000113.2H325 A326H325-L329 WeakPolarHBondContact O-CB 3.42Å; H325-L329 VanDerWaalsContact O-CG 3.27Å; H325-L329 WeakPolarHBondContact O-CG 3.42Å; H325-L329 PolarHBondContact O-N 2.94Å; H325-L329 VanDerWaalsContact O-N 3.11Å; A326-L329 PolarHBondContact O-N 3.43Å
330Q84.6Confident87.5Confident163 Ų16398.1 Ų98.176%0.76250%0.495SS*.Hα-helixtrans-68.8-35.2177.8-167177.311.400113.1A326 R327 F328A326-Q330 PolarHBondContact O-N 3.01Å; R327-Q330 PolarHBondContact O-N 2.75Å; F328-Q330 PolarHBondContact O-N 3.22Å
331T85.6Confident87.2Confident63 Ų6398.7 Ų98.739%0.38750%0.496SS..Hα-helixtrans-102.6-28.7-176.754.90000113.5R327 F328 K333 N334 I335R327-T331 PolarHBondContact O-N 3.08Å; R327-T331 PolarHBondContact O-OG1 3.16Å; F328-T331 PolarHBondContact O-N 3.32Å; F328-T331 PolarHBondContact O-OG1 2.88Å; T331-K333 VanDerWaalsContact C-N 3.33Å; T331-K333 PolarHBondContact O-N 3.33Å; T331-N334 PolarHBondContact O-N 2.92Å; T331-I335 PolarHBondContact O-N 3.12Å
332A86.6Confident86.8Confident12 Ų1292.8 Ų92.810%0.09947%0.473CS..Hα-helixtrans-61.3-37.7-17500000112.7F328 N334 I335 T336F328-A332 HydrophobicContact CD1-CB 4.08Å; F328-A332 HydrophobicContact CD2-CB 4.28Å; F328-A332 HydrophobicContact CE1-CB 3.77Å; F328-A332 HydrophobicContact CE2-CB 3.99Å; F328-A332 HydrophobicContact CG-CB 4.33Å; F328-A332 HydrophobicContact CZ-CB 3.73Å; F328-A332 WeakPolarHBondContact O-CA 3.45Å; F328-A332 WeakPolarHBondContact O-CB 2.99Å; F328-A332 PolarHBondContact O-N 2.91Å; A332-N334 PolarHBondContact O-N 2.85Å; A332-I335 PolarHBondContact O-N 3.08Å; A332-T336 WeakPolarHBondContact O-CB 3.41Å; A332-T336 PolarHBondContact O-N 2.83Å; A332-T336 PolarHBondContact O-OG1 2.91Å
333K85.1Confident86.3Confident148 Ų14893.4 Ų93.464%0.64348%0.482SS*.Hα-helixtrans-61.2-47179.4-171179.5177.5-176.10111.9T331 T336 E337T331-K333 VanDerWaalsContact C-N 3.33Å; T331-K333 PolarHBondContact O-N 3.33Å; K333-T336 PolarHBondContact O-N 2.75Å; K333-E337 WeakPolarHBondContact CE-OE1 3.49Å; K333-E337 WeakPolarHBondContact O-CG 3.38Å; K333-E337 PolarHBondContact O-N 3.42Å
334N87.8Confident85.7Confident88 Ų8890.7 Ų90.747%0.47148%0.479SS..Hα-helixtrans-65.5-42.6-179.8-176.3-90.2000112T331 A332 E337 R338T331-N334 PolarHBondContact O-N 2.92Å; A332-N334 PolarHBondContact O-N 2.85Å; N334-E337 PolarHBondContact O-N 3.28Å; N334-R338 WeakPolarHBondContact O-CG 3.48Å; N334-R338 PolarHBondContact O-N 3.04Å; N334-R338 WeakPolarHBondContact OD1-CD 3.45Å
335I88.8Confident84.8Confident22 Ų2289 Ų8911%0.11347%0.474CS..Hα-helixtrans-69.8-39.7179.8-70171.8000110.9A316 S319 T331 A332 R338 V339A316-I335 HydrophobicContact CB-CG2 3.93Å; S319-I335 WeakPolarHBondContact OG-CD1 3.4Å; T331-I335 PolarHBondContact O-N 3.12Å; A332-I335 PolarHBondContact O-N 3.08Å; I335-R338 PolarHBondContact O-N 2.84Å; I335-V339 HydrophobicContact CG2-CG2 4.27Å; I335-V339 WeakPolarHBondContact O-CB 3.29Å; I335-V339 VanDerWaalsContact O-CG2 3.28Å; I335-V339 WeakPolarHBondContact O-CG2 3.17Å; I335-V339 PolarHBondContact O-N 3.42Å
336T87.1Confident83.5Confident93 Ų9386.1 Ų86.157%0.57147%0.471SS*.Hα-helixtrans-62.3-43.6175.3-57.10000111A332 K333 V339 S340A332-T336 WeakPolarHBondContact O-CB 3.41Å; A332-T336 PolarHBondContact O-N 2.83Å; A332-T336 PolarHBondContact O-OG1 2.91Å; K333-T336 PolarHBondContact O-N 2.75Å; T336-V339 PolarHBondContact O-N 3.48Å; T336-S340 WeakPolarHBondContact O-CB 3.49Å; T336-S340 PolarHBondContact O-N 3.03Å
337E87.2Confident82.1Confident101 Ų10189.7 Ų89.747%0.47248%0.475SS..Hα-helixtrans-61.2-46.1173.9-77.6171.9-170.500111.4K333 N334 S340 M341K333-E337 WeakPolarHBondContact CE-OE1 3.49Å; K333-E337 WeakPolarHBondContact O-CG 3.38Å; K333-E337 PolarHBondContact O-N 3.42Å; N334-E337 PolarHBondContact O-N 3.28Å; E337-S340 PolarHBondContact O-N 3.38Å; E337-M341 WeakPolarHBondContact O-CB 3.49Å; E337-M341 VanDerWaalsContact O-CG 3.26Å; E337-M341 WeakPolarHBondContact O-CG 3.44Å; E337-M341 PolarHBondContact O-N 2.74Å
338R86.4Confident80.8Confident103 Ų10386.1 Ų86.139%0.38947%0.471SS..Hα-helixtrans-65.1-40.8179.1-73.5175.263.6-151.9-6.4113.1L312 N334 I335 A342L312-R338 HydrophobicContact CD1-CB 3.98Å; N334-R338 WeakPolarHBondContact O-CG 3.48Å; N334-R338 PolarHBondContact O-N 3.04Å; N334-R338 WeakPolarHBondContact OD1-CD 3.45Å; I335-R338 PolarHBondContact O-N 2.84Å; R338-A342 WeakPolarHBondContact O-CB 3.49Å; R338-A342 PolarHBondContact O-N 2.73Å
339V86.6Confident79.3Confident51 Ų5186.1 Ų86.131%0.30947%0.474SS..Hα-helixtrans-66.3-45.8174.6171.50000110.1L312 A316 I335 T336 M341 A342 T343L312-V339 HydrophobicContact CD1-CG2 4.18Å; L312-V339 HydrophobicContact CD2-CG2 4.25Å; L312-V339 HydrophobicContact CG-CG2 4.04Å; A316-V339 HydrophobicContact CB-CG2 4.14Å; I335-V339 HydrophobicContact CG2-CG2 4.27Å; I335-V339 WeakPolarHBondContact O-CB 3.29Å; I335-V339 VanDerWaalsContact O-CG2 3.28Å; I335-V339 WeakPolarHBondContact O-CG2 3.17Å; I335-V339 PolarHBondContact O-N 3.42Å; T336-V339 PolarHBondContact O-N 3.48Å; V339-M341 VanDerWaalsContact C-N 3.33Å; V339-M341 PolarHBondContact O-N 3.3Å; V339-A342 PolarHBondContact O-N 3.48Å; V339-T343 HydrophobicContact CG1-CG2 4.36Å; V339-T343 WeakPolarHBondContact O-CG2 3.23Å; V339-T343 PolarHBondContact O-N 3.31Å; V339-T343 PolarHBondContact O-OG1 3.07Å
340S85.3Confident78.3Confident67 Ų6785.6 Ų85.647%0.46947%0.47SS..Hα-helixtrans-61.5-39.3177.1-174.60000112.4T336 E337 T343 A344T336-S340 WeakPolarHBondContact O-CB 3.49Å; T336-S340 PolarHBondContact O-N 3.03Å; E337-S340 PolarHBondContact O-N 3.38Å; S340-T343 WeakPolarHBondContact CA-OG1 3.22Å; S340-T343 PolarHBondContact O-OG1 3.37Å; S340-A344 WeakPolarHBondContact O-CB 3.36Å; S340-A344 PolarHBondContact O-N 3.27Å
341M83.3Confident77.5Confident143 Ų14379.3 Ų79.370%0.70444%0.444SS*.Hα-helixtrans-68.9-39.6176.1-75.8-171.873.700111.9E337 V339 S345E337-M341 WeakPolarHBondContact O-CB 3.49Å; E337-M341 VanDerWaalsContact O-CG 3.26Å; E337-M341 WeakPolarHBondContact O-CG 3.44Å; E337-M341 PolarHBondContact O-N 2.74Å; V339-M341 VanDerWaalsContact C-N 3.33Å; V339-M341 PolarHBondContact O-N 3.3Å; M341-S345 PolarHBondContact O-N 3.22Å
342A81.3Confident76.7Confident16 Ų1684.5 Ų84.513%0.13246%0.463CS..Hα-helixtrans-65.6-41.617600000111.6L312 R338 V339 V348 L349L312-A342 HydrophobicContact CD2-CB 3.74Å; R338-A342 WeakPolarHBondContact O-CB 3.49Å; R338-A342 PolarHBondContact O-N 2.73Å; V339-A342 PolarHBondContact O-N 3.48Å; A342-V348 HydrophobicContact CB-CG1 4.48Å; A342-L349 WeakPolarHBondContact O-CD1 3.46Å; A342-L349 WeakPolarHBondContact O-CG 3.42Å
343T79.9Confident76.1Confident91 Ų9188 Ų8856%0.55848%0.479SS*.Hα-helixtrans-77-30-179.8540000113.9V339 S340 S345V339-T343 HydrophobicContact CG1-CG2 4.36Å; V339-T343 WeakPolarHBondContact O-CG2 3.23Å; V339-T343 PolarHBondContact O-N 3.31Å; V339-T343 PolarHBondContact O-OG1 3.07Å; S340-T343 WeakPolarHBondContact CA-OG1 3.22Å; S340-T343 PolarHBondContact O-OG1 3.37Å; T343-S345 VanDerWaalsContact C-N 3.34Å
344A75.4Confident75.6Confident85 Ų8585 Ų8570%0.70247%0.471SS*.Hα-helixtrans-76-19178.800000113.9S340S340-A344 WeakPolarHBondContact O-CB 3.36Å; S340-A344 PolarHBondContact O-N 3.27Å
345S71.6Confident74.9Confident41 Ų4187.1 Ų87.129%0.28748%0.481SS..  trans-112.5102.9178.3-1750000111.4M341 T343 Q347 V348M341-S345 PolarHBondContact O-N 3.22Å; T343-S345 VanDerWaalsContact C-N 3.34Å; S345-Q347 PolarHBondContact O-N 2.83Å; S345-V348 WeakPolarHBondContact O-CB 3.36Å; S345-V348 PolarHBondContact O-N 3.43Å; S345-V348 WeakPolarHBondContact OG-CG2 3.35Å
346S60.5Low74Confident93 Ų9393 Ų9365%0.6551%0.513SS*.Hα-helixtrans-57.6-29.6175.1-65.90000113V348 L349 I350S346-V348 VanDerWaalsContact C-N 3.27Å; S346-V348 PolarHBondContact O-N 3.32Å; S346-L349 PolarHBondContact O-N 3.27Å; S346-I350 PolarHBondContact O-N 2.84Å
347Q57.7Low73.2Confident147 Ų14790.4 Ų90.469%0.68750%0.495SS*.Hα-helixtrans-70-20.2176-76178.1-14.300113.7S345S345-Q347 PolarHBondContact O-N 2.83Å
348V59.4Low72.2Confident83 Ų8388.6 Ų88.650%0.50349%0.491SS..Hα-helixtrans-84.1-28.8177.6173.50000111.4A342 S345 S346A342-V348 HydrophobicContact CB-CG1 4.48Å; S345-V348 WeakPolarHBondContact O-CB 3.36Å; S345-V348 PolarHBondContact O-N 3.43Å; S345-V348 WeakPolarHBondContact OG-CG2 3.35Å; S346-V348 VanDerWaalsContact C-N 3.27Å; S346-V348 PolarHBondContact O-N 3.32Å
349L57.6Low71.5Confident70 Ų7086.9 Ų86.937%0.36649%0.487SS..Hα-helixtrans-95-35.1179.6-83.3162.6000113.5A342 S346A342-L349 WeakPolarHBondContact O-CD1 3.46Å; A342-L349 WeakPolarHBondContact O-CG 3.42Å; S346-L349 PolarHBondContact O-N 3.27Å
350I65.6Low70.5Confident118 Ų11890.8 Ų90.861%0.60551%0.506SS*.SBendtrans-130.4110.5-174.5-53178.4000108.6S346S346-I350 PolarHBondContact O-N 2.84Å
351P68.3Low69.5Low31 Ų3193.7 Ų93.720%0.20152%0.521CS..  trans-62.9151.2171.7-10.922.2000110.9C305 I353C305-P351 HydrophobicContact CB-CG 4.33Å; P351-I353 PolarHBondContact O-N 3.15Å; P351-I353 VanDerWaalsContact O-N 3.15Å
352E68.9Low69.1Low171 Ų17191 Ų9180%0.79951%0.506SS*.  trans-66.2112.6167.3-73.4-177.8-177.900109.9
353I73.6Confident69Low85 Ų8594.6 Ų94.644%0.43654%0.536SS..  trans-102123.6178.7-57.7171.9000108.4P351 L355P351-I353 PolarHBondContact O-N 3.15Å; P351-I353 VanDerWaalsContact O-N 3.15Å; I353-L355 HydrophobicContact CG2-CD2 3.69Å; I353-L355 HydrophobicContact CG2-CG 3.94Å
354N75.3Confident69.2Low86 Ų8694.9 Ų94.946%0.4653%0.533SS..  trans-100.9103.7173-175-13000109.5Q298 N356Q298-N354 PolarHBondContact OE1-O 2.89Å; N354-N356 PolarHBondContact OD1-N 3.04Å
355L72.4Confident69.8Low133 Ų13396.3 Ų96.370%0.69653%0.529SS*.  trans-86.8-7.2179-63.3174.3000113.5I353 D357I353-L355 HydrophobicContact CG2-CD2 3.69Å; I353-L355 HydrophobicContact CG2-CG 3.94Å; L355-D357 VanDerWaalsContact C-N 3.33Å; L355-D357 PolarHBondContact O-N 3.01Å
356N71.3Confident70.8Confident144 Ų14498.7 Ų98.777%0.7753%0.534SS*.  trans-87.62.4-175-69.1-2.6000113.3N354 T358N354-N356 PolarHBondContact OD1-N 3.04Å; N356-T358 PolarHBondContact O-N 2.98Å
357D68.5Low72.3Confident39 Ų3998.8 Ų98.821%0.20953%0.531CS..  trans-8053.6176.7-148-9.6000110.8R291 K294 L355R291-D357 IonicContact NE-OD1 3.96Å; K294-D357 WeakPolarHBondContact CD-OD2 3.4Å; K294-D357 IonicContact NZ-OD2 3.13Å; K294-D357 PolarHBondContact NZ-OD2 3.31Å; L355-D357 VanDerWaalsContact C-N 3.33Å; L355-D357 PolarHBondContact O-N 3.01Å
358T67.8Low73.8Confident63 Ų63100.3 Ų100.339%0.38753%0.531SS..  trans-86.3170.2177.263.30000111.3R291 N356 D360R291-T358 PolarHBondContact NE-O 3.4Å; N356-T358 PolarHBondContact O-N 2.98Å; T358-D360 VanDerWaalsContact C-N 3.28Å; T358-D360 WeakPolarHBondContact CB-OD2 3.48Å; T358-D360 PolarHBondContact OG1-OD2 2.89Å
359F71.3Confident75.3Confident67 Ų6799.8 Ų99.829%0.29452%0.523SS..SBendtrans-90.19.1-178.6-152.5-94.5000112.7I284 T361 F362I284-F359 HydrophobicContact CB-CZ 4.26Å; I284-F359 HydrophobicContact CG1-CZ 4.34Å; I284-F359 HydrophobicContact CG2-CE1 4.14Å; I284-F359 HydrophobicContact CG2-CZ 3.81Å; F359-T361 VanDerWaalsContact C-N 3.29Å; F359-T361 PolarHBondContact O-N 3.01Å; F359-F362 HydrophobicContact CD1-CB 3.91Å; F359-F362 HydrophobicContact CE1-CB 3.58Å; F359-F362 AromaticContact CE1-CD1 3.86Å; F359-F362 HydrophobicContact CE1-CD1 3.86Å; F359-F362 HydrophobicContact CE1-CD2 4.49Å; F359-F362 AromaticContact CE1-CG 3.73Å; F359-F362 HydrophobicContact CE1-CG 3.73Å; F359-F362 HydrophobicContact CZ-CB 4.26Å; F359-F362 HydrophobicContact CZ-CG 4.23Å; F359-F362 PolarHBondContact O-N 2.86Å
360D65.2Low76.8Confident133 Ų133102.4 Ų102.471%0.71153%0.531SS*.THydrogen-bonded Turntrans-77.3-14.4-161-48.7-25.2000113.3T358 F362T358-D360 VanDerWaalsContact C-N 3.28Å; T358-D360 WeakPolarHBondContact CB-OD2 3.48Å; T358-D360 PolarHBondContact OG1-OD2 2.89Å; D360-F362 VanDerWaalsContact C-N 3.29Å; D360-F362 PolarHBondContact O-N 3.15Å
361T64.7Low77.8Confident129 Ų129103.5 Ų103.579%0.79153%0.532SS*.THydrogen-bonded Turntrans-84.54.8175.8550000113.9F359F359-T361 VanDerWaalsContact C-N 3.29Å; F359-T361 PolarHBondContact O-N 3.01Å
362F74.6Confident78.6Confident86 Ų86107.6 Ų107.638%0.37755%0.551SS.*  trans-97103.3175.1-172-91.6000110.5I280 I284 F359 D360 L364I280-F362 HydrophobicContact CG2-CZ 4.07Å; I284-F362 HydrophobicContact CD1-CD1 4.44Å; I284-F362 HydrophobicContact CD1-CE1 3.51Å; I284-F362 HydrophobicContact CD1-CZ 3.72Å; I284-F362 HydrophobicContact CG1-CD1 4.31Å; I284-F362 HydrophobicContact CG1-CE1 3.59Å; I284-F362 HydrophobicContact CG1-CE2 4.14Å; I284-F362 HydrophobicContact CG1-CZ 3.49Å; I284-F362 VanDerWaalsContact CG1-CZ 3.49Å; F359-F362 HydrophobicContact CD1-CB 3.91Å; F359-F362 HydrophobicContact CE1-CB 3.58Å; F359-F362 AromaticContact CE1-CD1 3.86Å; F359-F362 HydrophobicContact CE1-CD1 3.86Å; F359-F362 HydrophobicContact CE1-CD2 4.49Å; F359-F362 AromaticContact CE1-CG 3.73Å; F359-F362 HydrophobicContact CE1-CG 3.73Å; F359-F362 HydrophobicContact CZ-CB 4.26Å; F359-F362 HydrophobicContact CZ-CG 4.23Å; F359-F362 PolarHBondContact O-N 2.86Å; D360-F362 VanDerWaalsContact C-N 3.29Å; D360-F362 PolarHBondContact O-N 3.15Å; F362-L364 HydrophobicContact CD1-CG 4.4Å; F362-L364 HydrophobicContact CE1-CD1 4.11Å; F362-L364 HydrophobicContact CE1-CD2 3.55Å; F362-L364 HydrophobicContact CE1-CG 3.63Å; F362-L364 HydrophobicContact CZ-CD2 3.67Å; F362-L364 HydrophobicContact CZ-CG 4.28Å
363A78.9Confident79.5Confident92 Ų92103 Ų10376%0.7653%0.531SS*.  trans-109.2136.9175.500000110.9
364L85.2Confident80.1Confident97 Ų97106.3 Ų106.351%0.50855%0.545SS..  trans-106.2112.5171-66.9176.6000108.8I280 F362 F366I280-L364 HydrophobicContact CG2-CD2 3.96Å; F362-L364 HydrophobicContact CD1-CG 4.4Å; F362-L364 HydrophobicContact CE1-CD1 4.11Å; F362-L364 HydrophobicContact CE1-CD2 3.55Å; F362-L364 HydrophobicContact CE1-CG 3.63Å; F362-L364 HydrophobicContact CZ-CD2 3.67Å; F362-L364 HydrophobicContact CZ-CG 4.28Å; L364-F366 HydrophobicContact CB-CE2 3.96Å; L364-F366 HydrophobicContact CB-CZ 4.34Å; L364-F366 HydrophobicContact CD1-CE2 4.24Å; L364-F366 HydrophobicContact CD2-CE2 4.26Å; L364-F366 HydrophobicContact CD2-CZ 3.86Å; L364-F366 HydrophobicContact CG-CE2 4.38Å; L364-F366 HydrophobicContact CG-CZ 4.47Å
365D88Confident80.4Confident115 Ų115106.6 Ų106.662%0.61555%0.553SS**  trans-120.6116.6169.9-175.25.2000108.7T367D365-T367 WeakPolarHBondContact OD1-CB 3.38Å; D365-T367 PolarHBondContact OD1-N 2.75Å; D365-T367 PolarHBondContact OD1-OG1 3.08Å
366F91.7Very high80.8Confident90 Ų90105.2 Ų105.240%0.39555%0.546SS..  trans-116.918.5177.3-58.5-60.6000111.2I280 L364 R368 E369 K370I280-F366 HydrophobicContact CD1-CE1 4.11Å; I280-F366 HydrophobicContact CD1-CZ 4Å; L364-F366 HydrophobicContact CB-CE2 3.96Å; L364-F366 HydrophobicContact CB-CZ 4.34Å; L364-F366 HydrophobicContact CD1-CE2 4.24Å; L364-F366 HydrophobicContact CD2-CE2 4.26Å; L364-F366 HydrophobicContact CD2-CZ 3.86Å; L364-F366 HydrophobicContact CG-CE2 4.38Å; L364-F366 HydrophobicContact CG-CZ 4.47Å; F366-R368 VanDerWaalsContact C-N 3.32Å; F366-R368 PolarHBondContact O-N 3.16Å; F366-E369 PolarHBondContact O-N 3.34Å; F366-K370 WeakPolarHBondContact O-CB 3.49Å; F366-K370 VanDerWaalsContact O-CG 3.25Å; F366-K370 WeakPolarHBondContact O-CG 3.48Å; F366-K370 PolarHBondContact O-N 3.04Å
367T91.4Very high81Confident96 Ų96104.6 Ų104.659%0.58954%0.542SS*.Hα-helixtrans-61.9-41-172.4-56.50000111.7D365 K371D365-T367 WeakPolarHBondContact OD1-CB 3.38Å; D365-T367 PolarHBondContact OD1-N 2.75Å; D365-T367 PolarHBondContact OD1-OG1 3.08Å; T367-K371 PolarHBondContact O-N 3.18Å; T367-K371 VanDerWaalsContact O-N 3.1Å
368R90.4Very high81.2Confident179 Ų179110.6 Ų110.668%0.67556%0.563SS**Hα-helixtrans-65.9-47.9177-176.8-176.666.4166.32.1111.8F366 K370 K371 L372F366-R368 VanDerWaalsContact C-N 3.32Å; F366-R368 PolarHBondContact O-N 3.16Å; R368-K370 VanDerWaalsContact C-N 3.34Å; R368-K370 PolarHBondContact O-N 3.35Å; R368-K371 PolarHBondContact O-N 3.34Å; R368-L372 WeakPolarHBondContact O-CG 3.38Å; R368-L372 PolarHBondContact O-N 2.88Å
369E90.5Very high81.6Confident71 Ų71112 Ų11233%0.33257%0.568SS.*Hα-helixtrans-64.9-38.7-178.9-6869.2-154.400111.2F366 L372 L373F366-E369 PolarHBondContact O-N 3.34Å; E369-L372 PolarHBondContact O-N 3.02Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.15Å
370K89.2Confident82Confident126 Ų126112.4 Ų112.455%0.54858%0.576SS.*Hα-helixtrans-59.9-46.6172-75.7175-179.8-176.40111.8F366 R368 L372 L373 E374F366-K370 WeakPolarHBondContact O-CB 3.49Å; F366-K370 VanDerWaalsContact O-CG 3.25Å; F366-K370 WeakPolarHBondContact O-CG 3.48Å; F366-K370 PolarHBondContact O-N 3.04Å; R368-K370 VanDerWaalsContact C-N 3.34Å; R368-K370 PolarHBondContact O-N 3.35Å; K370-L372 VanDerWaalsContact C-N 3.3Å; K370-L372 PolarHBondContact O-N 3.01Å; K370-L373 PolarHBondContact O-N 3.44Å; K370-L373 VanDerWaalsContact O-N 3.12Å; K370-E374 WeakPolarHBondContact O-CG 3.45Å; K370-E374 PolarHBondContact O-N 3.16Å
371K87.5Confident83Confident141 Ų141106.7 Ų106.761%0.61355%0.547SS*.Hα-helixtrans-61.1-39.4177.7-171174-179.41790112T367 R368 L373 E374 C375T367-K371 PolarHBondContact O-N 3.18Å; T367-K371 VanDerWaalsContact O-N 3.1Å; R368-K371 PolarHBondContact O-N 3.34Å; K371-L373 VanDerWaalsContact C-N 3.34Å; K371-E374 PolarHBondContact O-N 2.89Å; K371-C375 PolarHBondContact O-N 3.19Å; K371-C375 VanDerWaalsContact O-N 3.1Å; K371-C375 PolarHBondContact O-SG 3.11Å
372L85.1Confident84.1Confident117 Ų117100.7 Ų100.761%0.61351%0.511SS*.Hα-helixtrans-63.4-39.5174.7-69.9171.6000112.3R368 E369 K370 C375R368-L372 WeakPolarHBondContact O-CG 3.38Å; R368-L372 PolarHBondContact O-N 2.88Å; E369-L372 PolarHBondContact O-N 3.02Å; K370-L372 VanDerWaalsContact C-N 3.3Å; K370-L372 PolarHBondContact O-N 3.01Å; L372-C375 PolarHBondContact O-N 2.96Å
373L87.7Confident84.8Confident73 Ų73100.8 Ų100.838%0.38252%0.515SS..Hα-helixtrans-69.8-37.8176.1-68.8171.2000112.6I273 E369 K370 K371 C375 L376I273-L373 HydrophobicContact CD1-CD1 3.88Å; I273-L373 HydrophobicContact CD1-CD2 4.47Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.15Å; K370-L373 PolarHBondContact O-N 3.44Å; K370-L373 VanDerWaalsContact O-N 3.12Å; K371-L373 VanDerWaalsContact C-N 3.34Å; L373-C375 PolarHBondContact O-N 3.5Å; L373-L376 HydrophobicContact CD2-CD1 3.84Å; L373-L376 WeakPolarHBondContact O-CB 3.34Å; L373-L376 WeakPolarHBondContact O-CG 3.46Å; L373-L376 PolarHBondContact O-N 3Å
374E86.3Confident85.4Confident156 Ų15699.6 Ų99.673%0.72950%0.499SS*.Hα-helixtrans-66.6-26.3175.5-73.9170.4179.300112.7K370 K371 L376K370-E374 WeakPolarHBondContact O-CG 3.45Å; K370-E374 PolarHBondContact O-N 3.16Å; K371-E374 PolarHBondContact O-N 2.89Å; E374-L376 VanDerWaalsContact C-N 3.35Å
375C81.5Confident85.9Confident92 Ų9295 Ų9562%0.62248%0.475SS*.THydrogen-bonded Turntrans-89.88176.4-63.50000113.8K371 L372 L373 D377K371-C375 PolarHBondContact O-N 3.19Å; K371-C375 VanDerWaalsContact O-N 3.1Å; K371-C375 PolarHBondContact O-SG 3.11Å; L372-C375 PolarHBondContact O-N 2.96Å; L373-C375 PolarHBondContact O-N 3.5Å; C375-D377 PolarHBondContact O-N 3.36Å
376L80.9Confident86.3Confident104 Ų10493 Ų9355%0.54547%0.468SS..  trans-65.4122.2173.6-73.5170.6000109.8L269 L373 E374L269-L376 HydrophobicContact CD1-CD1 3.65Å; L269-L376 HydrophobicContact CD1-CD2 4.39Å; L373-L376 HydrophobicContact CD2-CD1 3.84Å; L373-L376 WeakPolarHBondContact O-CB 3.34Å; L373-L376 WeakPolarHBondContact O-CG 3.46Å; L373-L376 PolarHBondContact O-N 3Å; E374-L376 VanDerWaalsContact C-N 3.35Å
377D74.1Confident86.5Confident130 Ų13089.7 Ų89.770%0.69545%0.454SS*.  trans-137.3164.9176.5-155.3-2.6000109.4C375C375-D377 PolarHBondContact O-N 3.36Å
378Y72.6Confident86.8Confident166 Ų16690 Ų9065%0.65144%0.444SS*.PPolyproline II helixtrans-64.8139.3176.262-81.5000110.1T380Y378-T380 HydrophobicContact CD2-CG2 3.79Å; Y378-T380 HydrophobicContact CE2-CG2 3.34Å; Y378-T380 PolarHBondContact O-N 2.92Å; Y378-T380 VanDerWaalsContact O-N 3.14Å
379L76.1Confident86.8Confident92 Ų9286.2 Ų86.248%0.48243%0.434SS..PPolyproline II helixtrans-63122.3178.3-17071.8000108.9Q468 A469L379-Q468 HydrophobicContact CD2-CB 3.81Å; L379-A469 HydrophobicContact CB-CB 4.04Å; L379-A469 HydrophobicContact CD2-CB 3.89Å; L379-A469 HydrophobicContact CG-CB 3.72Å; L379-A469 WeakPolarHBondContact O-CB 3.29Å
380T81.2Confident86.9Confident76 Ų7688.6 Ų88.647%0.46645%0.445SS..PPolyproline II helixtrans-102.5160.617150.60000109.7Y378 N467 A469Y378-T380 HydrophobicContact CD2-CG2 3.79Å; Y378-T380 HydrophobicContact CE2-CG2 3.34Å; Y378-T380 PolarHBondContact O-N 2.92Å; Y378-T380 VanDerWaalsContact O-N 3.14Å; T380-N467 PolarHBondContact O-ND2 3.26Å; T380-A469 VanDerWaalsContact C-CB 3.45Å
381A84.7Confident87.2Confident13 Ų1387 Ų8711%0.10744%0.442CS..PPolyproline II helixtrans-55.3142.2168.400000108.8R472A381-R472 HydrophobicContact CB-CG 4.1Å
382P88Confident87.6Confident3 Ų381.3 Ų81.32%0.01942%0.42CS..PPolyproline II helixtrans-59.8155.6-175.4-1831.3000110.9V411 A465 N467 R472P382-V411 HydrophobicContact CB-CG2 3.69Å; P382-V411 HydrophobicContact CG-CG2 4.03Å; P382-A465 HydrophobicContact CB-CB 3.95Å; P382-A465 HydrophobicContact CG-CB 4.2Å; P382-N467 VanDerWaalsContact CD-CG 3.43Å; P382-N467 WeakPolarHBondContact CD-ND2 3.27Å; P382-N467 HydrophobicContact CG-CB 3.8Å; P382-R472 VanDerWaalsContact O-CB 3.29Å; P382-R472 WeakPolarHBondContact O-CB 3.45Å; P382-R472 WeakPolarHBondContact O-CG 3.3Å
383N89.1Confident88.1Confident87 Ų8779.8 Ų79.847%0.46542%0.416SS..PPolyproline II helixtrans-57.2144.9171.9-71.5-32.2000110.6
384P92.6Very high88.4Confident67 Ų6778.1 Ų78.144%0.43541%0.413SS..PPolyproline II helixtrans-48.9124.8175-29.236000111.7R472 N473P384-R472 HydrophobicContact CG-CB 4.11Å; P384-R472 HydrophobicContact CG-CG 4.46Å; P384-N473 WeakPolarHBondContact CB-O 3.49Å
385P94.9Very high88.8Confident1 Ų172.3 Ų72.31%0.00639%0.389CS..PPolyproline II helixtrans-66.1153.9171.926.1-28.6000109.6T404 Y414 V463 A465 S474P385-T404 CarbonylContact C-O 3.57Å; P385-T404 WeakPolarHBondContact CA-O 3.47Å; P385-Y414 HydrophobicContact CB-CE1 4.26Å; P385-V463 HydrophobicContact CB-CB 4.5Å; P385-V463 HydrophobicContact CB-CG1 4.18Å; P385-V463 HydrophobicContact CG-CB 3.97Å; P385-V463 HydrophobicContact CG-CG1 3.76Å; P385-V463 VanDerWaalsContact CG-O 3.28Å; P385-V463 WeakPolarHBondContact CG-O 3.4Å; P385-A465 HydrophobicContact CG-CB 4.01Å; P385-S474 WeakPolarHBondContact O-CA 3.08Å; P385-S474 WeakPolarHBondContact O-CB 3.41Å
386T96.3Very high89.4Confident74 Ų7472 Ų7245%0.45438%0.375SS..EExtended strand (participates in β ladder)trans-114.3119.1178-59.20000109.8R388 W403 T404T386-R388 PolarHBondContact O-N 3.26Å; T386-W403 CarbonylContact O-C 3.45Å; T386-W403 WeakPolarHBondContact O-CA 3.47Å; T386-W403 VanDerWaalsContact O-CB 3.26Å; T386-W403 WeakPolarHBondContact O-CB 3.45Å; T386-T404 PolarHBondContact N-O 3.46Å; T386-T404 PolarHBondContact O-N 3.27Å
387I97.1Very high90Very high20 Ų2069.3 Ų69.310%0.10336%0.361CS..EExtended strand (participates in β ladder)trans-68.3127.6173-62174.7000108.5E389 V401 F461 V463I387-E389 HydrophobicContact CG2-CG 4.31Å; I387-V401 HydrophobicContact CD1-CG1 4.45Å; I387-V401 HydrophobicContact CG1-CG1 4.45Å; I387-V401 HydrophobicContact CG2-CG1 3.95Å; I387-F461 HydrophobicContact CD1-CB 4.13Å; I387-F461 WeakPolarHBondContact CD1-O 3.39Å; I387-V463 HydrophobicContact CD1-CG2 4.04Å; I387-V463 HydrophobicContact CG1-CG2 3.83Å
388R96.1Very high91.1Very high103 Ų10364.3 Ų64.339%0.38934%0.336SS..  trans-100.182.9179.6-59.1-64.3-67.3-156.80.3107.9T386 E390 L391 C392 H402 T404T386-R388 PolarHBondContact O-N 3.26Å; R388-E390 VanDerWaalsContact C-OE2 3.26Å; R388-E390 WeakPolarHBondContact CA-OE2 2.9Å; R388-E390 IonicContact CZ-OE1 2.77Å; R388-E390 IonicContact NE-OE1 3.9Å; R388-E390 PolarHBondContact NE-OE1 2.76Å; R388-E390 IonicContact NE-OE2 3.83Å; R388-E390 IonicContact NH2-OE1 3.15Å; R388-E390 PolarHBondContact NH2-OE1 2.92Å; R388-E390 PolarHBondContact O-N 3.01Å; R388-E390 VanDerWaalsContact O-N 3.15Å; R388-L391 HydrophobicContact CB-CB 4.14Å; R388-L391 HydrophobicContact CB-CD1 3.86Å; R388-L391 HydrophobicContact CB-CG 3.99Å; R388-L391 HydrophobicContact CG-CD1 4.26Å; R388-L391 PolarHBondContact O-N 3.18Å; R388-C392 PolarHBondContact O-N 3.41Å; R388-C392 PolarHBondContact O-SG 2.97Å; R388-H402 PolarHBondContact N-O 3.36Å; R388-T404 HydrophobicContact CG-CG2 3.86Å
389E92Very high92.3Very high99 Ų9956.5 Ų56.546%0.46331%0.305SS..G310 helixtrans-54.7-32.5-176.9-66.2-170.3168.200112I387 L391 C392 G477 K478 L479I387-E389 HydrophobicContact CG2-CG 4.31Å; E389-L391 PolarHBondContact O-N 3.35Å; E389-C392 WeakPolarHBondContact O-CB 3.36Å; E389-C392 PolarHBondContact O-N 3.41Å; E389-C392 VanDerWaalsContact O-N 3.14Å; E389-G477 WeakPolarHBondContact OE1-CA 3.41Å; E389-K478 PolarHBondContact OE1-N 3.44Å; E389-L479 HydrophobicContact CB-CD2 4.39Å; E389-L479 HydrophobicContact CG-CD2 4.19Å
390E92.4Very high93.3Very high120 Ų12053 Ų5356%0.56129%0.288SS*.G310 helixtrans-68.7-18.4177.876.9-77.2-174.300114.5R388R388-E390 VanDerWaalsContact C-OE2 3.26Å; R388-E390 WeakPolarHBondContact CA-OE2 2.9Å; R388-E390 IonicContact CZ-OE1 2.77Å; R388-E390 IonicContact NE-OE1 3.9Å; R388-E390 PolarHBondContact NE-OE1 2.76Å; R388-E390 IonicContact NE-OE2 3.83Å; R388-E390 IonicContact NH2-OE1 3.15Å; R388-E390 PolarHBondContact NH2-OE1 2.92Å; R388-E390 PolarHBondContact O-N 3.01Å; R388-E390 VanDerWaalsContact O-N 3.15Å
391L95.4Very high94.1Very high92 Ų9249.4 Ų49.448%0.48227%0.266SS..G310 helixtrans-98.7-12.2175-60-178.3000112.1R388 E389 H402R388-L391 HydrophobicContact CB-CB 4.14Å; R388-L391 HydrophobicContact CB-CD1 3.86Å; R388-L391 HydrophobicContact CB-CG 3.99Å; R388-L391 HydrophobicContact CG-CD1 4.26Å; R388-L391 PolarHBondContact O-N 3.18Å; E389-L391 PolarHBondContact O-N 3.35Å; L391-H402 HydrophobicContact CB-CB 3.74Å; L391-H402 PolarHBondContact O-CD2 2.94Å
392C96.1Very high94.7Very high22 Ų2251.2 Ų51.215%0.14927%0.272CS..  trans-71.9146.1-179.3-64.20000110.4R388 E389 T400 H402 L479R388-C392 PolarHBondContact O-N 3.41Å; R388-C392 PolarHBondContact O-SG 2.97Å; E389-C392 WeakPolarHBondContact O-CB 3.36Å; E389-C392 PolarHBondContact O-N 3.41Å; E389-C392 VanDerWaalsContact O-N 3.14Å; C392-T400 VanDerWaalsContact CA-O 3.26Å; C392-T400 WeakPolarHBondContact CA-O 3.5Å; C392-T400 WeakPolarHBondContact CB-O 3.41Å; C392-H402 PolarHBondContact SG-N 3.11Å; C392-L479 HydrophobicContact CB-CD1 3.94Å; C392-L479 HydrophobicContact CB-CD2 3.93Å
393T95.5Very high95.2Very high86 Ų8651.3 Ų51.353%0.52827%0.272SS..EExtended strand (participates in β ladder)trans-125.6145.7176.461.70000110.1I399 T400T393-I399 CarbonylContact O-C 3.52Å; T393-I399 WeakPolarHBondContact O-CA 3.28Å; T393-T400 PolarHBondContact N-O 3.1Å; T393-T400 VanDerWaalsContact N-O 3.07Å; T393-T400 PolarHBondContact O-N 2.94Å; T393-T400 WeakPolarHBondContact OG1-CB 3.22Å
394A94.4Very high95.5Very high38 Ų3849.7 Ų49.731%0.31427%0.265SS..EExtended strand (participates in β ladder)trans-130139.8-179.700000110.6I399 K480 N482A394-I399 HydrophobicContact CB-CG1 4.1Å; A394-K480 WeakPolarHBondContact CB-O 3.4Å; A394-N482 PolarHBondContact O-ND2 3.28Å
395S94.2Very high95.4Very high33 Ų3347 Ų4723%0.23125%0.248CC..  trans-113.2-166.7164.882.80000108.9D397 T398 T481 N482S395-D397 VanDerWaalsContact C-N 3.35Å; S395-D397 PolarHBondContact OG-N 3.45Å; S395-D397 PolarHBondContact OG-OD1 2.98Å; S395-T398 WeakPolarHBondContact CB-OG1 3.06Å; S395-T398 PolarHBondContact N-O 3.4Å; S395-T398 WeakPolarHBondContact OG-CB 3.29Å; S395-T398 PolarHBondContact OG-N 2.84Å; S395-T398 PolarHBondContact OG-O 3.39Å; S395-T398 PolarHBondContact OG-OG1 3.24Å; S395-T481 CarbonylContact O-C 3.58Å; S395-T481 WeakPolarHBondContact O-CA 3.36Å; S395-N482 PolarHBondContact O-N 2.85Å
396Y93.1Very high94.8Very high85 Ų8553.8 Ų53.833%0.33328%0.284SS..SBendtrans-77.4-20178.668.3-89000113.3S455 N482 P485Y396-S455 WeakPolarHBondContact O-CA 3.34Å; Y396-S455 VanDerWaalsContact O-CB 3.28Å; Y396-S455 WeakPolarHBondContact O-CB 3.44Å; Y396-S455 PolarHBondContact O-OG 3.49Å; Y396-N482 WeakPolarHBondContact CA-O 3.36Å; Y396-P485 VanDerWaalsContact CD1-CD 3.46Å; Y396-P485 HydrophobicContact CD1-CG 3.69Å; Y396-P485 HydrophobicContact CE1-CG 4.02Å; Y396-P485 VanDerWaalsContact CG-CD 3.41Å; Y396-P485 HydrophobicContact CG-CG 4.14Å
397D94.3Very high93.8Very high48 Ų4853.5 Ų53.526%0.25728%0.28SS..SBendtrans-135.53.1-17964.7-8.9000113.6S395 H451 G452 L453S395-D397 VanDerWaalsContact C-N 3.35Å; S395-D397 PolarHBondContact OG-N 3.45Å; S395-D397 PolarHBondContact OG-OD1 2.98Å; D397-H451 CarbonylContact O-C 3.56Å; D397-G452 PolarHBondContact O-N 3.22Å; D397-L453 WeakPolarHBondContact CA-O 3.35Å; D397-L453 PolarHBondContact O-N 2.9Å
398T96.4Very high92.7Very high26 Ų2657.6 Ų57.616%0.1630%0.298CS..EExtended strand (participates in β ladder)trans-133.6148.6177.271.60000112.6S395 V450 H451S395-T398 WeakPolarHBondContact CB-OG1 3.06Å; S395-T398 PolarHBondContact N-O 3.4Å; S395-T398 WeakPolarHBondContact OG-CB 3.29Å; S395-T398 PolarHBondContact OG-N 2.84Å; S395-T398 PolarHBondContact OG-O 3.39Å; S395-T398 PolarHBondContact OG-OG1 3.24Å; T398-V450 WeakPolarHBondContact CA-O 3.38Å; T398-V450 WeakPolarHBondContact CB-O 3.43Å; T398-H451 HydrophobicContact CG2-CB 4.41Å; T398-H451 VanDerWaalsContact CG2-ND1 3.25Å; T398-H451 WeakPolarHBondContact CG2-ND1 3.49Å
399I97.6Very high91.8Very high1 Ų162.3 Ų62.31%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-132.8124.8167.6-66.5175.3000108T393 A394 V401 T449 V450 L453 Y459 F461 L479 T481T393-I399 CarbonylContact O-C 3.52Å; T393-I399 WeakPolarHBondContact O-CA 3.28Å; A394-I399 HydrophobicContact CB-CG1 4.1Å; I399-V401 HydrophobicContact CG2-CG2 3.96Å; I399-T449 WeakPolarHBondContact O-CA 3.21Å; I399-V450 PolarHBondContact N-O 2.95Å; I399-V450 VanDerWaalsContact N-O 3.09Å; I399-V450 PolarHBondContact O-N 3.41Å; I399-L453 HydrophobicContact CB-CD1 3.76Å; I399-L453 HydrophobicContact CD1-CD1 3.73Å; I399-L453 HydrophobicContact CG1-CD1 3.59Å; I399-Y459 HydrophobicContact CD1-CD2 4.19Å; I399-F461 HydrophobicContact CB-CE2 4.47Å; I399-F461 HydrophobicContact CB-CZ 4.08Å; I399-F461 HydrophobicContact CD1-CE2 3.82Å; I399-F461 HydrophobicContact CD1-CZ 3.99Å; I399-F461 HydrophobicContact CG2-CE2 4.05Å; I399-F461 HydrophobicContact CG2-CZ 4Å; I399-L479 HydrophobicContact CD1-CB 4.02Å; I399-L479 HydrophobicContact CG2-CB 4.09Å; I399-L479 HydrophobicContact CG2-CD1 3.59Å; I399-L479 HydrophobicContact CG2-CG 4.48Å; I399-T481 HydrophobicContact CD1-CG2 3.85Å; I399-T481 HydrophobicContact CG1-CG2 3.93Å
400T97.8Very high91.4Very high19 Ų1958.7 Ų58.712%0.11731%0.308CS..EExtended strand (participates in β ladder)trans-94.9110.8168.7-52.70000108.7C392 T393 H402 Y448 T449C392-T400 VanDerWaalsContact CA-O 3.26Å; C392-T400 WeakPolarHBondContact CA-O 3.5Å; C392-T400 WeakPolarHBondContact CB-O 3.41Å; T393-T400 PolarHBondContact N-O 3.1Å; T393-T400 VanDerWaalsContact N-O 3.07Å; T393-T400 PolarHBondContact O-N 2.94Å; T393-T400 WeakPolarHBondContact OG1-CB 3.22Å; T400-H402 WeakPolarHBondContact CG2-NE2 3.44Å; T400-Y448 WeakPolarHBondContact CA-O 3.28Å; T400-T449 WeakPolarHBondContact CG2-OG1 3.39Å; T400-T449 WeakPolarHBondContact OG1-CG2 3.4Å; T400-T449 PolarHBondContact OG1-OG1 3.1Å
401V98.1Very high91.3Very high0 Ų054 Ų540%029%0.287CS..EExtended strand (participates in β ladder)trans-90.9130.7178-168.90000108.4I387 I399 W403 L416 H447 Y448 F461 L479I387-V401 HydrophobicContact CD1-CG1 4.45Å; I387-V401 HydrophobicContact CG1-CG1 4.45Å; I387-V401 HydrophobicContact CG2-CG1 3.95Å; I399-V401 HydrophobicContact CG2-CG2 3.96Å; V401-W403 HydrophobicContact CB-CE3 4.43Å; V401-W403 HydrophobicContact CB-CZ3 4.24Å; V401-W403 HydrophobicContact CG1-CE3 4.14Å; V401-W403 HydrophobicContact CG1-CZ3 4.39Å; V401-W403 WeakPolarHBondContact O-CZ3 3.49Å; V401-L416 HydrophobicContact CB-CD1 4.44Å; V401-L416 HydrophobicContact CG1-CD1 4.34Å; V401-L416 HydrophobicContact CG2-CD1 4.45Å; V401-L416 HydrophobicContact CG2-CD2 4.25Å; V401-H447 CarbonylContact O-C 3.59Å; V401-H447 WeakPolarHBondContact O-CA 3.43Å; V401-H447 VanDerWaalsContact O-CB 3.31Å; V401-H447 WeakPolarHBondContact O-CB 3.3Å; V401-Y448 PolarHBondContact N-O 3.47Å; V401-Y448 PolarHBondContact O-N 3.38Å; V401-F461 HydrophobicContact CG2-CB 4.49Å; V401-F461 HydrophobicContact CG2-CD1 3.52Å; V401-F461 HydrophobicContact CG2-CD2 4.31Å; V401-F461 HydrophobicContact CG2-CE1 3.7Å; V401-F461 HydrophobicContact CG2-CE2 4.45Å; V401-F461 HydrophobicContact CG2-CG 3.85Å; V401-F461 HydrophobicContact CG2-CZ 4.17Å; V401-L479 HydrophobicContact CG1-CD1 4.31Å; V401-L479 HydrophobicContact CG2-CD1 3.94Å
402H98.1Very high91.2Very high51 Ų5153.2 Ų53.224%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-115.4142175.2-76.7-96000109.9R388 L391 C392 T400 H447R388-H402 PolarHBondContact N-O 3.36Å; L391-H402 HydrophobicContact CB-CB 3.74Å; L391-H402 PolarHBondContact O-CD2 2.94Å; C392-H402 PolarHBondContact SG-N 3.11Å; T400-H402 WeakPolarHBondContact CG2-NE2 3.44Å; H402-H447 VanDerWaalsContact CE1-CB 3.48Å; H402-H447 WeakPolarHBondContact CE1-CB 3.25Å; H402-H447 AromaticContact CE1-CG 3.74Å; H402-H447 WeakPolarHBondContact ND1-CB 3.4Å
403W97.2Very high91.1Very high6 Ų652.6 Ų52.62%0.02328%0.282CS..EExtended strand (participates in β ladder)trans-142.5169.4176.158.791.8000111.9T386 V401 Y414 L416 I443 Q445 N446 H447 V463T386-W403 CarbonylContact O-C 3.45Å; T386-W403 WeakPolarHBondContact O-CA 3.47Å; T386-W403 VanDerWaalsContact O-CB 3.26Å; T386-W403 WeakPolarHBondContact O-CB 3.45Å; V401-W403 HydrophobicContact CB-CE3 4.43Å; V401-W403 HydrophobicContact CB-CZ3 4.24Å; V401-W403 HydrophobicContact CG1-CE3 4.14Å; V401-W403 HydrophobicContact CG1-CZ3 4.39Å; V401-W403 WeakPolarHBondContact O-CZ3 3.49Å; W403-Y414 AromaticContact CD1-CE1 3.85Å; W403-Y414 AromaticContact CE2-CG 3.93Å; W403-Y414 AromaticContact CZ2-CD2 3.99Å; W403-Y414 HydrophobicContact CZ2-CD2 3.99Å; W403-Y414 AromaticContact CZ2-CG 3.91Å; W403-Y414 HydrophobicContact CZ2-CG 3.91Å; W403-Y414 AromaticContact NE1-CD1 3.37Å; W403-Y414 AromaticContact NE1-CD2 3.52Å; W403-Y414 AromaticContact NE1-CE1 3.41Å; W403-Y414 AromaticContact NE1-CE2 3.56Å; W403-Y414 AromaticContact NE1-CG 3.42Å; W403-Y414 AromaticContact NE1-CZ 3.51Å; W403-L416 HydrophobicContact CZ3-CD1 4.48Å; W403-I443 HydrophobicContact CH2-CD1 4.25Å; W403-I443 HydrophobicContact CH2-CG2 4.03Å; W403-I443 HydrophobicContact CZ2-CG2 3.97Å; W403-Q445 WeakPolarHBondContact CZ2-O 3.35Å; W403-N446 VanDerWaalsContact CE2-C 3.49Å; W403-N446 PolarHBondContact N-O 2.63Å; W403-N446 WeakPolarHBondContact O-CB 3.37Å; W403-H447 VanDerWaalsContact CH2-C 3.47Å; W403-V463 HydrophobicContact CB-CG2 4.35Å; W403-V463 HydrophobicContact CD2-CB 4.35Å; W403-V463 HydrophobicContact CD2-CG1 3.77Å; W403-V463 HydrophobicContact CD2-CG2 3.75Å; W403-V463 HydrophobicContact CE3-CG1 4.36Å; W403-V463 HydrophobicContact CE3-CG2 3.59Å; W403-V463 HydrophobicContact CG-CB 4.43Å; W403-V463 HydrophobicContact CG-CG1 3.94Å; W403-V463 HydrophobicContact CG-CG2 4.1Å; W403-V463 HydrophobicContact CZ2-CG1 4.16Å; W403-V463 HydrophobicContact CZ3-CG2 4.11Å
404T95.1Very high91.2Very high52 Ų5248.8 Ų48.832%0.31926%0.258SS..EExtended strand (participates in β ladder)trans-131.3151174.552.90000110.6P385 T386 R388P385-T404 CarbonylContact C-O 3.57Å; P385-T404 WeakPolarHBondContact CA-O 3.47Å; T386-T404 PolarHBondContact N-O 3.46Å; T386-T404 PolarHBondContact O-N 3.27Å; R388-T404 HydrophobicContact CG-CG2 3.86Å
405S91.4Very high91.3Very high12 Ų1248.4 Ų48.48%0.08425%0.25CC..  trans-130.2131.7172.7-76.10000109.5D407 Y414S405-D407 PolarHBondContact O-N 2.98Å; S405-Y414 WeakPolarHBondContact CB-OH 3.45Å; S405-Y414 PolarHBondContact OG-OH 3.26Å; S405-Y414 VanDerWaalsContact OG-OH 3.12Å
406D82.8Confident91.5Very high142 Ų14246.9 Ų46.976%0.75924%0.239SC*.THydrogen-bonded Turntrans-67.5-24.4-177.1-64.3-27.9000112.8
407D75.4Confident91.6Very high68 Ų6844.3 Ų44.336%0.36423%0.23SC..THydrogen-bonded Turntrans-129.276177.1-179.219.5000110.7S405 F409 S410S405-D407 PolarHBondContact O-N 2.98Å; D407-F409 PolarHBondContact O-N 2.82Å; D407-F409 PolarHBondContact OD1-N 3.28Å; D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.07Å; D407-S410 VanDerWaalsContact O-OG 3.1Å; D407-S410 PolarHBondContact OD1-N 3.22Å; D407-S410 WeakPolarHBondContact OD2-CB 3.34Å; D407-S410 PolarHBondContact OD2-OG 3.04Å
408E73.9Confident91.6Very high106 Ų10643.4 Ų43.450%0.49522%0.223SC..G310 helixtrans-60.5-26.8178.4-70.5-175.2170.900113.1S410 V411 N446E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 3.39Å; E408-V411 PolarHBondContact O-N 3.19Å; E408-N446 PolarHBondContact OE1-ND2 2.93Å
409F77.4Confident91.3Very high203 Ų20343.2 Ų43.289%0.8922%0.222SC*.G310 helixtrans-72.6-25.2-177.1-63.7-75.6000112.7D407D407-F409 PolarHBondContact O-N 2.82Å; D407-F409 PolarHBondContact OD1-N 3.28Å
410S83.1Confident90.9Very high22 Ų2246.3 Ų46.315%0.15424%0.238CC..G310 helixtrans-84.9-10.9174.865.60000113.9D407 E408 N467D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.07Å; D407-S410 VanDerWaalsContact O-OG 3.1Å; D407-S410 PolarHBondContact OD1-N 3.22Å; D407-S410 WeakPolarHBondContact OD2-CB 3.34Å; D407-S410 PolarHBondContact OD2-OG 3.04Å; E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 3.39Å; S410-N467 WeakPolarHBondContact O-CB 3.38Å; S410-N467 PolarHBondContact O-ND2 3.48Å; S410-N467 VanDerWaalsContact O-ND2 3.14Å
411V89.9Confident90.2Very high21 Ų2147.6 Ų47.613%0.12724%0.242CC..  trans-87.9121.2-179.3-174.20000111P382 E408 Y414 A465P382-V411 HydrophobicContact CB-CG2 3.69Å; P382-V411 HydrophobicContact CG-CG2 4.03Å; E408-V411 PolarHBondContact O-N 3.19Å; V411-Y414 HydrophobicContact CG1-CD1 4.14Å; V411-Y414 HydrophobicContact CG1-CD2 4.41Å; V411-Y414 HydrophobicContact CG1-CE1 3.74Å; V411-Y414 HydrophobicContact CG1-CE2 4.03Å; V411-Y414 HydrophobicContact CG1-CG 4.46Å; V411-Y414 HydrophobicContact CG2-CE1 4.32Å; V411-A465 HydrophobicContact CG1-CB 4.22Å; V411-A465 HydrophobicContact CG2-CB 4.15Å
412V93Very high89Confident76 Ų7651.7 Ų51.746%0.46127%0.267SS..  trans-83.2-40.5174.81750000110.9K444 I466 N467V412-K444 WeakPolarHBondContact O-CD 3.37Å; V412-K444 PolarHBondContact O-NZ 2.81Å; V412-I466 WeakPolarHBondContact CA-O 3.38Å; V412-I466 WeakPolarHBondContact CB-O 3.21Å; V412-I466 PolarHBondContact N-O 2.9Å; V412-N467 HydrophobicContact CG2-CB 4.01Å
413S95.5Very high87.3Confident9 Ų951.7 Ų51.76%0.06328%0.281CS..EExtended strand (participates in β ladder)trans-162.4162.2176.748.20000111.8I443 I466S413-I443 CarbonylContact C-O 3.53Å; S413-I443 WeakPolarHBondContact CA-O 3.28Å; S413-I466 PolarHBondContact N-O 2.77Å; S413-I466 VanDerWaalsContact N-O 3.16Å; S413-I466 WeakPolarHBondContact O-CA 3.43Å; S413-I466 WeakPolarHBondContact O-CB 3.31Å; S413-I466 PolarHBondContact O-N 3.26Å
414Y96.9Very high85.1Confident7 Ų760.6 Ų60.63%0.02732%0.323CS..EExtended strand (participates in β ladder)trans-104.7154.4168.4-55.3-82.1000111.6P385 W403 S405 V411 N442 I443 Q445 N446 V463 K464 A465P385-Y414 HydrophobicContact CB-CE1 4.26Å; W403-Y414 AromaticContact CD1-CE1 3.85Å; W403-Y414 AromaticContact CE2-CG 3.93Å; W403-Y414 AromaticContact CZ2-CD2 3.99Å; W403-Y414 HydrophobicContact CZ2-CD2 3.99Å; W403-Y414 AromaticContact CZ2-CG 3.91Å; W403-Y414 HydrophobicContact CZ2-CG 3.91Å; W403-Y414 AromaticContact NE1-CD1 3.37Å; W403-Y414 AromaticContact NE1-CD2 3.52Å; W403-Y414 AromaticContact NE1-CE1 3.41Å; W403-Y414 AromaticContact NE1-CE2 3.56Å; W403-Y414 AromaticContact NE1-CG 3.42Å; W403-Y414 AromaticContact NE1-CZ 3.51Å; S405-Y414 WeakPolarHBondContact CB-OH 3.45Å; S405-Y414 PolarHBondContact OG-OH 3.26Å; S405-Y414 VanDerWaalsContact OG-OH 3.12Å; V411-Y414 HydrophobicContact CG1-CD1 4.14Å; V411-Y414 HydrophobicContact CG1-CD2 4.41Å; V411-Y414 HydrophobicContact CG1-CE1 3.74Å; V411-Y414 HydrophobicContact CG1-CE2 4.03Å; V411-Y414 HydrophobicContact CG1-CG 4.46Å; V411-Y414 HydrophobicContact CG2-CE1 4.32Å; Y414-N442 PolarHBondContact O-N 3.46Å; Y414-I443 PolarHBondContact N-O 3.17Å; Y414-I443 PolarHBondContact O-N 3.09Å; Y414-Q445 WeakPolarHBondContact CD2-O 3.38Å; Y414-N446 VanDerWaalsContact CE2-OD1 3.23Å; Y414-N446 WeakPolarHBondContact CE2-OD1 3.37Å; Y414-N446 PolarHBondContact OH-OD1 3.19Å; Y414-V463 HydrophobicContact CD1-CG1 3.84Å; Y414-V463 HydrophobicContact CG-CG1 4.3Å; Y414-K464 CarbonylContact C-O 3.57Å; Y414-K464 WeakPolarHBondContact CA-O 3.44Å; Y414-A465 HydrophobicContact CD1-CB 3.97Å; Y414-A465 HydrophobicContact CE1-CB 3.87Å
415E96.9Very high82.9Confident30 Ų3059.5 Ų59.514%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-123.5124.9166.5173.9-178.4100.200107.7Q417 I439 V440 K464 I466E415-Q417 HydrophobicContact CG-CG 4.26Å; E415-Q417 PolarHBondContact OE1-NE2 3.43Å; E415-I439 HydrophobicContact CG-CG2 3.52Å; E415-V440 CarbonylContact C-O 3.56Å; E415-V440 WeakPolarHBondContact CA-O 3.2Å; E415-K464 HydrophobicContact CB-CB 4.22Å; E415-K464 PolarHBondContact N-O 3.32Å; E415-K464 PolarHBondContact O-N 2.91Å; E415-K464 IonicContact OE1-NZ 2.69Å; E415-I466 HydrophobicContact CB-CD1 3.82Å
416L97Very high81.1Confident0 Ų065.1 Ų65.10%035%0.348CS..EExtended strand (participates in β ladder)trans-98.1125.9175.9-178.972.6000108.8V401 W403 V440 I443 Y448 V450 F461 V463V401-L416 HydrophobicContact CB-CD1 4.44Å; V401-L416 HydrophobicContact CG1-CD1 4.34Å; V401-L416 HydrophobicContact CG2-CD1 4.45Å; V401-L416 HydrophobicContact CG2-CD2 4.25Å; W403-L416 HydrophobicContact CZ3-CD1 4.48Å; L416-V440 HydrophobicContact CB-CB 4.29Å; L416-V440 PolarHBondContact N-O 3.33Å; L416-V440 PolarHBondContact O-N 2.79Å; L416-I443 HydrophobicContact CB-CD1 3.58Å; L416-Y448 HydrophobicContact CD2-CD1 3.84Å; L416-Y448 HydrophobicContact CD2-CG 4.38Å; L416-V450 HydrophobicContact CD2-CG2 3.61Å; L416-F461 HydrophobicContact CD1-CB 4.43Å; L416-F461 HydrophobicContact CD1-CD1 4.05Å; L416-F461 HydrophobicContact CD2-CD1 4.21Å; L416-F461 HydrophobicContact CD2-CE1 4.45Å; L416-F461 HydrophobicContact CG-CD1 4.29Å; L416-V463 HydrophobicContact CD1-CG2 3.63Å
417Q95.3Very high79.8Confident32 Ų3260.4 Ų60.415%0.1532%0.324CS..EExtended strand (participates in β ladder)trans-114.5136.8176.2-55.9-176.4-1500109.1E415 W437 M438 I439 F461 V462E415-Q417 HydrophobicContact CG-CG 4.26Å; E415-Q417 PolarHBondContact OE1-NE2 3.43Å; Q417-W437 HydrophobicContact CB-CD2 4.41Å; Q417-W437 HydrophobicContact CB-CE3 3.71Å; Q417-W437 HydrophobicContact CB-CZ3 4.3Å; Q417-M438 CarbonylContact C-O 3.56Å; Q417-M438 VanDerWaalsContact CA-O 3.29Å; Q417-M438 WeakPolarHBondContact CA-O 3.35Å; Q417-I439 HydrophobicContact CG-CG1 4.31Å; Q417-F461 CarbonylContact O-C 3.32Å; Q417-F461 WeakPolarHBondContact O-CA 3.23Å; Q417-V462 HydrophobicContact CB-CB 4.47Å; Q417-V462 PolarHBondContact N-O 3.42Å; Q417-V462 PolarHBondContact O-N 2.94Å
418Y94Very high78.8Confident28 Ų2862.1 Ų62.111%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-146.8155.3175.468.2-82.5000114.3M438 V440 V450 L453 Y459 I460 F461Y418-M438 HydrophobicContact CD1-CB 3.88Å; Y418-M438 HydrophobicContact CD2-CB 4.1Å; Y418-M438 HydrophobicContact CD2-CG 4.5Å; Y418-M438 HydrophobicContact CE1-CB 3.43Å; Y418-M438 VanDerWaalsContact CE1-CB 3.43Å; Y418-M438 HydrophobicContact CE1-CG 4.47Å; Y418-M438 HydrophobicContact CE2-CB 3.67Å; Y418-M438 HydrophobicContact CE2-CG 3.89Å; Y418-M438 HydrophobicContact CG-CB 4.19Å; Y418-M438 PolarHBondContact N-O 2.97Å; Y418-M438 PolarHBondContact O-N 3.27Å; Y418-V440 HydrophobicContact CE1-CG2 4.19Å; Y418-V450 HydrophobicContact CD1-CG1 4.37Å; Y418-V450 HydrophobicContact CD1-CG2 4.22Å; Y418-V450 HydrophobicContact CD2-CG1 4.5Å; Y418-V450 HydrophobicContact CE1-CG1 3.7Å; Y418-V450 HydrophobicContact CE1-CG2 4.09Å; Y418-V450 HydrophobicContact CE2-CG1 3.85Å; Y418-V450 VanDerWaalsContact CZ-CG1 3.4Å; Y418-V450 WeakPolarHBondContact OH-CG1 3.31Å; Y418-L453 HydrophobicContact CD2-CD2 4.18Å; Y418-L453 HydrophobicContact CE2-CD2 3.69Å; Y418-Y459 HydrophobicContact CD2-CD1 4.15Å; Y418-Y459 HydrophobicContact CD2-CE1 4.45Å; Y418-I460 WeakPolarHBondContact CA-O 2.92Å; Y418-I460 WeakPolarHBondContact CB-O 3.21Å; Y418-F461 VanDerWaalsContact CB-CE1 3.45Å; Y418-F461 HydrophobicContact CD1-CE1 4.25Å; Y418-F461 HydrophobicContact CD2-CE1 4.35Å; Y418-F461 HydrophobicContact CG-CD1 4.17Å; Y418-F461 AromaticContact CG-CE1 3.78Å; Y418-F461 HydrophobicContact CG-CE1 3.78Å; Y418-F461 HydrophobicContact CG-CZ 4.49Å
419T91.7Very high77.9Confident22 Ų2260.8 Ų60.814%0.13534%0.339CS..EExtended strand (participates in β ladder)trans-153.3162.5176.3-165.10000111.4S436 W437 Y459 I460T419-S436 WeakPolarHBondContact CB-O 3.1Å; T419-S436 PolarHBondContact OG1-O 3.5Å; T419-W437 HydrophobicContact CG2-CD2 4.18Å; T419-W437 HydrophobicContact CG2-CE3 4.14Å; T419-W437 HydrophobicContact CG2-CH2 4.1Å; T419-W437 HydrophobicContact CG2-CZ2 4.11Å; T419-W437 HydrophobicContact CG2-CZ3 4.11Å; T419-Y459 WeakPolarHBondContact O-CA 3.48Å; T419-Y459 WeakPolarHBondContact O-CD1 3.44Å; T419-I460 PolarHBondContact N-O 3.46Å; T419-I460 VanDerWaalsContact N-O 3.08Å; T419-I460 PolarHBondContact O-N 2.99Å
420I88.3Confident76.9Confident67 Ų6752.2 Ų52.234%0.34430%0.303SS..EExtended strand (participates in β ladder)trans-72.6134.6178.3-64.7171.1000109.4T422 T457 Y459I420-T422 HydrophobicContact CG2-CG2 4.47Å; I420-T457 HydrophobicContact CG1-CG2 4.26Å; I420-T457 HydrophobicContact CG2-CG2 3.73Å; I420-Y459 HydrophobicContact CB-CE1 4.45Å; I420-Y459 HydrophobicContact CD1-CE1 4.41Å; I420-Y459 HydrophobicContact CG1-CD1 4.06Å; I420-Y459 HydrophobicContact CG1-CE1 3.42Å; I420-Y459 VanDerWaalsContact CG1-CE1 3.42Å
421F84Confident75.4Confident46 Ų4654.6 Ų54.620%0.20232%0.319CS..  trans-81.6116.2174.4179.2-107.9000110.6K458 I460F421-K458 HydrophobicContact CB-CB 3.9Å; F421-K458 WeakPolarHBondContact CB-O 3.44Å; F421-K458 HydrophobicContact CD1-CB 4.12Å; F421-K458 HydrophobicContact CD1-CD 4.15Å; F421-K458 HydrophobicContact CG-CB 4.44Å; F421-K458 PolarHBondContact N-O 3.44Å; F421-I460 HydrophobicContact CB-CG1 4.29Å; F421-I460 HydrophobicContact CD2-CD1 3.75Å; F421-I460 HydrophobicContact CD2-CG1 4.1Å
422T72.9Confident73.7Confident85 Ų8559.9 Ų59.952%0.52135%0.346SS..  trans-101.37.9-174.754.10000115.1I420 Q424I420-T422 HydrophobicContact CG2-CG2 4.47Å; T422-Q424 PolarHBondContact O-N 3.1Å
423G60.7Low72.1Confident51 Ų5158.7 Ų58.753%0.52634%0.341SS..SBendtrans68.1-35.5176.700000116.2
424Q51.7Low70.1Confident193 Ų19362.1 Ų62.190%0.90237%0.37SS*.SBendtrans-93-13-175.6-65-176.4-1400113.9T422T422-Q424 PolarHBondContact O-N 3.1Å
425A49.9Very low68.4Low29 Ų2969.5 Ų69.524%0.2441%0.41CS..SBendtrans-97.4123.3-177.900000110.7V427 L430A425-V427 PolarHBondContact O-N 3.35Å; A425-V427 VanDerWaalsContact O-N 3.15Å; A425-L430 HydrophobicContact CB-CD1 3.67Å; A425-L430 HydrophobicContact CB-CD2 4.11Å; A425-L430 HydrophobicContact CB-CG 3.7Å
426N53.5Low67.4Low130 Ų13070.8 Ų70.870%0.69542%0.422SS*.  trans-50.8124.9164.7-80.4-27.1000107.9V428 S429 L430N426-V428 PolarHBondContact O-N 3.38Å; N426-S429 WeakPolarHBondContact O-CA 3.46Å; N426-S429 WeakPolarHBondContact O-CB 3.48Å; N426-S429 PolarHBondContact O-N 2.86Å; N426-L430 PolarHBondContact O-N 3.33Å
427V54.4Low66.9Low44 Ų4472 Ų7227%0.26743%0.427SS..Hα-helixtrans-52.2-33.1177.5179.90000110.6A425 S429 L430 C431 I460 P476A425-V427 PolarHBondContact O-N 3.35Å; A425-V427 VanDerWaalsContact O-N 3.15Å; V427-S429 PolarHBondContact O-N 3.3Å; V427-L430 PolarHBondContact O-N 3.42Å; V427-C431 PolarHBondContact O-N 3.38Å; V427-C431 VanDerWaalsContact O-N 3.07Å; V427-I460 HydrophobicContact CG1-CD1 4.37Å; V427-I460 HydrophobicContact CG2-CD1 4.28Å; V427-P476 HydrophobicContact CG1-CB 4.36Å; V427-P476 HydrophobicContact CG1-CG 4.06Å
428V54.3Low66.8Low104 Ų10475.8 Ų75.863%0.6345%0.446SS*.Hα-helixtrans-64.5-32.4173.9-174.10000113.5N426 C431 N432N426-V428 PolarHBondContact O-N 3.38Å; V428-C431 VanDerWaalsContact C-SG 3.56Å; V428-C431 VanDerWaalsContact CA-SG 3.52Å; V428-C431 PolarHBondContact O-SG 3.16Å; V428-N432 PolarHBondContact O-ND2 3.45Å; V428-N432 VanDerWaalsContact O-ND2 3.16Å
429S55Low66.8Low77 Ų7778.7 Ų78.754%0.53846%0.462SS..Hα-helixtrans-78.2-32.4175.7-166.50000112N426 V427N426-S429 WeakPolarHBondContact O-CA 3.46Å; N426-S429 WeakPolarHBondContact O-CB 3.48Å; N426-S429 PolarHBondContact O-N 2.86Å; V427-S429 PolarHBondContact O-N 3.3Å
430L55.9Low67Low24 Ų2478.8 Ų78.813%0.12646%0.463CS..Hα-helixtrans-71.4-40177-74.9165.9000111.9A425 N426 V427 N432 S433 W437 I460A425-L430 HydrophobicContact CB-CD1 3.67Å; A425-L430 HydrophobicContact CB-CD2 4.11Å; A425-L430 HydrophobicContact CB-CG 3.7Å; N426-L430 PolarHBondContact O-N 3.33Å; V427-L430 PolarHBondContact O-N 3.42Å; L430-N432 PolarHBondContact O-N 3.42Å; L430-S433 PolarHBondContact O-N 3.47Å; L430-W437 PolarHBondContact O-NE1 3Å; L430-I460 HydrophobicContact CD1-CD1 4.13Å
431C53.3Low67.4Low72 Ų7278.9 Ų78.949%0.48647%0.468SS..THydrogen-bonded Turntrans-68.2-15.1177.566.20000113.8V427 V428 W437V427-C431 PolarHBondContact O-N 3.38Å; V427-C431 VanDerWaalsContact O-N 3.07Å; V428-C431 VanDerWaalsContact C-SG 3.56Å; V428-C431 VanDerWaalsContact CA-SG 3.52Å; V428-C431 PolarHBondContact O-SG 3.16Å; C431-W437 HydrophobicContact CB-CZ2 4.45Å
432N53.6Low67.9Low131 Ų13182.4 Ų82.470%0.70149%0.489SS*.THydrogen-bonded Turntrans-93.7-10.6177.4-71.2-19.1000113.9V428 L430V428-N432 PolarHBondContact O-ND2 3.45Å; V428-N432 VanDerWaalsContact O-ND2 3.16Å; L430-N432 PolarHBondContact O-N 3.42Å
433S58.7Low69Low51 Ų5179 Ų7936%0.35747%0.467SS..  trans-98.793.4175.4-175.20000109.9L430 D435 S436L430-S433 PolarHBondContact O-N 3.47Å; S433-D435 PolarHBondContact O-N 3.13Å; S433-D435 VanDerWaalsContact O-N 3.15Å; S433-S436 PolarHBondContact O-N 2.87Å; S433-S436 PolarHBondContact OG-OG 2.78Å
434A54.8Low70.6Confident81 Ų8183.3 Ų83.367%0.66947%0.471SS*.G310 helixtrans-59.4-25.4-176.500000113.9S436A434-S436 VanDerWaalsContact C-N 3.33Å; A434-S436 PolarHBondContact O-N 3.14Å
435D60.4Low72.6Confident163 Ų16379.7 Ų79.787%0.87246%0.455SS*.G310 helixtrans-82-5.1-175.2-66.1-29.8000114.5S433S433-D435 PolarHBondContact O-N 3.13Å; S433-D435 VanDerWaalsContact O-N 3.15Å
436S75.8Confident74.7Confident57 Ų5780.4 Ų80.440%0.39945%0.454SS..G310 helixtrans-101.21-174.8-580000114.5T419 S433 A434T419-S436 WeakPolarHBondContact CB-O 3.1Å; T419-S436 PolarHBondContact OG1-O 3.5Å; S433-S436 PolarHBondContact O-N 2.87Å; S433-S436 PolarHBondContact OG-OG 2.78Å; A434-S436 VanDerWaalsContact C-N 3.33Å; A434-S436 PolarHBondContact O-N 3.14Å
437W87.4Confident76.8Confident26 Ų2677.5 Ų77.510%0.09844%0.436CS..  trans-105.5134.3-175.7-67.781.6000111.6Q417 T419 L430 C431 I460 V462Q417-W437 HydrophobicContact CB-CD2 4.41Å; Q417-W437 HydrophobicContact CB-CE3 3.71Å; Q417-W437 HydrophobicContact CB-CZ3 4.3Å; T419-W437 HydrophobicContact CG2-CD2 4.18Å; T419-W437 HydrophobicContact CG2-CE3 4.14Å; T419-W437 HydrophobicContact CG2-CH2 4.1Å; T419-W437 HydrophobicContact CG2-CZ2 4.11Å; T419-W437 HydrophobicContact CG2-CZ3 4.11Å; L430-W437 PolarHBondContact O-NE1 3Å; C431-W437 HydrophobicContact CB-CZ2 4.45Å; W437-I460 HydrophobicContact CH2-CB 4.34Å; W437-I460 HydrophobicContact CH2-CG2 3.76Å; W437-I460 HydrophobicContact CZ3-CG2 4.24Å; W437-V462 HydrophobicContact CH2-CG2 3.78Å; W437-V462 HydrophobicContact CZ3-CB 4.37Å; W437-V462 HydrophobicContact CZ3-CG2 3.95Å
438M92.7Very high78.9Confident111 Ų11179.4 Ų79.455%0.54744%0.439SS..EExtended strand (participates in β ladder)trans-81131.1164.8-64-62.1-70.700108.6Q417 Y418Q417-M438 CarbonylContact C-O 3.56Å; Q417-M438 VanDerWaalsContact CA-O 3.29Å; Q417-M438 WeakPolarHBondContact CA-O 3.35Å; Y418-M438 HydrophobicContact CD1-CB 3.88Å; Y418-M438 HydrophobicContact CD2-CB 4.1Å; Y418-M438 HydrophobicContact CD2-CG 4.5Å; Y418-M438 HydrophobicContact CE1-CB 3.43Å; Y418-M438 VanDerWaalsContact CE1-CB 3.43Å; Y418-M438 HydrophobicContact CE1-CG 4.47Å; Y418-M438 HydrophobicContact CE2-CB 3.67Å; Y418-M438 HydrophobicContact CE2-CG 3.89Å; Y418-M438 HydrophobicContact CG-CB 4.19Å; Y418-M438 PolarHBondContact N-O 2.97Å; Y418-M438 PolarHBondContact O-N 3.27Å
439I94.1Very high80.9Confident89 Ų8976.2 Ų76.246%0.45642%0.42SS..EExtended strand (participates in β ladder)trans-119.1129.8-172.5-55.7176.5000110.2E415 Q417E415-I439 HydrophobicContact CG-CG2 3.52Å; Q417-I439 HydrophobicContact CG-CG1 4.31Å
440V96.1Very high83Confident23 Ų2372.8 Ų72.814%0.13940%0.396CS..EExtended strand (participates in β ladder)trans-117.298.9171.6-174.90000108.6E415 L416 Y418 I443 Y448E415-V440 CarbonylContact C-O 3.56Å; E415-V440 WeakPolarHBondContact CA-O 3.2Å; L416-V440 HydrophobicContact CB-CB 4.29Å; L416-V440 PolarHBondContact N-O 3.33Å; L416-V440 PolarHBondContact O-N 2.79Å; Y418-V440 HydrophobicContact CE1-CG2 4.19Å; V440-I443 HydrophobicContact CB-CD1 4.21Å; V440-I443 HydrophobicContact CG1-CD1 3.88Å; V440-I443 HydrophobicContact CG1-CG1 4.05Å; V440-Y448 HydrophobicContact CB-CE1 4.31Å; V440-Y448 HydrophobicContact CG1-CD1 4.26Å; V440-Y448 HydrophobicContact CG1-CD2 4.26Å; V440-Y448 HydrophobicContact CG1-CE1 3.73Å; V440-Y448 HydrophobicContact CG1-CE2 3.72Å; V440-Y448 VanDerWaalsContact CG1-CZ 3.43Å; V440-Y448 HydrophobicContact CG2-CE1 3.94Å
441P96.1Very high84.9Confident69 Ų6977.6 Ų77.645%0.44842%0.418SS..EExtended strand (participates in β ladder)trans-84.4169.8-177.434.4-35.6000112.6I443P441-I443 PolarHBondContact O-N 3.23Å
442N94.1Very high86.8Confident120 Ų12077.6 Ų77.664%0.64243%0.429SS*.EExtended strand (participates in β ladder)trans62.131166.9-61.2-48.2000116.2Y414Y414-N442 PolarHBondContact O-N 3.46Å
443I96.3Very high88.7Confident13 Ų1371.9 Ų71.97%0.06740%0.399CS..EExtended strand (participates in β ladder)trans-75129.1175.9-57.3163.4000109W403 S413 Y414 L416 V440 P441 Q445 Y448W403-I443 HydrophobicContact CH2-CD1 4.25Å; W403-I443 HydrophobicContact CH2-CG2 4.03Å; W403-I443 HydrophobicContact CZ2-CG2 3.97Å; S413-I443 CarbonylContact C-O 3.53Å; S413-I443 WeakPolarHBondContact CA-O 3.28Å; Y414-I443 PolarHBondContact N-O 3.17Å; Y414-I443 PolarHBondContact O-N 3.09Å; L416-I443 HydrophobicContact CB-CD1 3.58Å; V440-I443 HydrophobicContact CB-CD1 4.21Å; V440-I443 HydrophobicContact CG1-CD1 3.88Å; V440-I443 HydrophobicContact CG1-CG1 4.05Å; P441-I443 PolarHBondContact O-N 3.23Å; I443-Q445 WeakPolarHBondContact CG2-O 3.49Å; I443-Y448 HydrophobicContact CD1-CD2 3.9Å; I443-Y448 HydrophobicContact CD1-CG 3.86Å; I443-Y448 HydrophobicContact CG1-CD2 3.92Å; I443-Y448 HydrophobicContact CG1-CE2 4.46Å; I443-Y448 HydrophobicContact CG1-CG 4.39Å; I443-Y448 HydrophobicContact CG2-CD2 4.44Å
444K93.7Very high90.3Very high142 Ų14272.8 Ų72.862%0.61740%0.397SS*.  trans-101.7-11.8179.2-60.8-56.9-169-176.30114V412V412-K444 WeakPolarHBondContact O-CD 3.37Å; V412-K444 PolarHBondContact O-NZ 2.81Å
445Q94.1Very high92.1Very high118 Ų11869.3 Ų69.355%0.55137%0.368SS*.SBendtrans-100.5162.8-179.2-57.9177.227.800109.4W403 Y414 I443 H447W403-Q445 WeakPolarHBondContact CZ2-O 3.35Å; Y414-Q445 WeakPolarHBondContact CD2-O 3.38Å; I443-Q445 WeakPolarHBondContact CG2-O 3.49Å; Q445-H447 PolarHBondContact O-N 3.31Å; Q445-H447 PolarHBondContact OE1-CE1 3.5Å; Q445-H447 PolarHBondContact OE1-NE2 3.49Å
446N94.6Very high93.6Very high44 Ų4462 Ų6224%0.23533%0.331CS..SBendtrans-86.720.5176.6-63.7-15.7000113.4W403 E408 Y414W403-N446 VanDerWaalsContact CE2-C 3.49Å; W403-N446 PolarHBondContact N-O 2.63Å; W403-N446 WeakPolarHBondContact O-CB 3.37Å; E408-N446 PolarHBondContact OE1-ND2 2.93Å; Y414-N446 VanDerWaalsContact CE2-OD1 3.23Å; Y414-N446 WeakPolarHBondContact CE2-OD1 3.37Å; Y414-N446 PolarHBondContact OH-OD1 3.19Å
447H96.8Very high94.3Very high69 Ų6959.6 Ų59.632%0.31931%0.314SS..EExtended strand (participates in β ladder)trans-153157.4175.370.1-76000110.4V401 H402 W403 Q445V401-H447 CarbonylContact O-C 3.59Å; V401-H447 WeakPolarHBondContact O-CA 3.43Å; V401-H447 VanDerWaalsContact O-CB 3.31Å; V401-H447 WeakPolarHBondContact O-CB 3.3Å; H402-H447 VanDerWaalsContact CE1-CB 3.48Å; H402-H447 WeakPolarHBondContact CE1-CB 3.25Å; H402-H447 AromaticContact CE1-CG 3.74Å; H402-H447 WeakPolarHBondContact ND1-CB 3.4Å; W403-H447 VanDerWaalsContact CH2-C 3.47Å; Q445-H447 PolarHBondContact O-N 3.31Å; Q445-H447 PolarHBondContact OE1-CE1 3.5Å; Q445-H447 PolarHBondContact OE1-NE2 3.49Å
448Y98.1Very high94.4Very high84 Ų8460.8 Ų60.833%0.32932%0.32SS..EExtended strand (participates in β ladder)trans-152.5140.6173.9-172.8-92.3000110.8T400 V401 L416 V440 I443 V450T400-Y448 WeakPolarHBondContact CA-O 3.28Å; V401-Y448 PolarHBondContact N-O 3.47Å; V401-Y448 PolarHBondContact O-N 3.38Å; L416-Y448 HydrophobicContact CD2-CD1 3.84Å; L416-Y448 HydrophobicContact CD2-CG 4.38Å; V440-Y448 HydrophobicContact CB-CE1 4.31Å; V440-Y448 HydrophobicContact CG1-CD1 4.26Å; V440-Y448 HydrophobicContact CG1-CD2 4.26Å; V440-Y448 HydrophobicContact CG1-CE1 3.73Å; V440-Y448 HydrophobicContact CG1-CE2 3.72Å; V440-Y448 VanDerWaalsContact CG1-CZ 3.43Å; V440-Y448 HydrophobicContact CG2-CE1 3.94Å; I443-Y448 HydrophobicContact CD1-CD2 3.9Å; I443-Y448 HydrophobicContact CD1-CG 3.86Å; I443-Y448 HydrophobicContact CG1-CD2 3.92Å; I443-Y448 HydrophobicContact CG1-CE2 4.46Å; I443-Y448 HydrophobicContact CG1-CG 4.39Å; I443-Y448 HydrophobicContact CG2-CD2 4.44Å; Y448-V450 HydrophobicContact CD1-CG2 3.84Å; Y448-V450 HydrophobicContact CE1-CG2 4.04Å
449T98.1Very high94.3Very high37 Ų3756.1 Ų56.123%0.22730%0.297CS..EExtended strand (participates in β ladder)trans-100.7115.1175.9-55.20000109.9I399 T400 H451I399-T449 WeakPolarHBondContact O-CA 3.21Å; T400-T449 WeakPolarHBondContact CG2-OG1 3.39Å; T400-T449 WeakPolarHBondContact OG1-CG2 3.4Å; T400-T449 PolarHBondContact OG1-OG1 3.1Å; T449-H451 PolarHBondContact O-CD2 2.95Å
450V97.6Very high94.2Very high4 Ų451.9 Ų51.92%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-85.6134.1171.6-175.30000108.7T398 I399 L416 Y418 Y448 L453 F461T398-V450 WeakPolarHBondContact CA-O 3.38Å; T398-V450 WeakPolarHBondContact CB-O 3.43Å; I399-V450 PolarHBondContact N-O 2.95Å; I399-V450 VanDerWaalsContact N-O 3.09Å; I399-V450 PolarHBondContact O-N 3.41Å; L416-V450 HydrophobicContact CD2-CG2 3.61Å; Y418-V450 HydrophobicContact CD1-CG1 4.37Å; Y418-V450 HydrophobicContact CD1-CG2 4.22Å; Y418-V450 HydrophobicContact CD2-CG1 4.5Å; Y418-V450 HydrophobicContact CE1-CG1 3.7Å; Y418-V450 HydrophobicContact CE1-CG2 4.09Å; Y418-V450 HydrophobicContact CE2-CG1 3.85Å; Y418-V450 VanDerWaalsContact CZ-CG1 3.4Å; Y418-V450 WeakPolarHBondContact OH-CG1 3.31Å; Y448-V450 HydrophobicContact CD1-CG2 3.84Å; Y448-V450 HydrophobicContact CE1-CG2 4.04Å; V450-L453 HydrophobicContact CB-CD1 4.25Å; V450-L453 HydrophobicContact CB-CG 4.5Å; V450-L453 HydrophobicContact CG1-CD1 4.19Å; V450-L453 HydrophobicContact CG1-CD2 3.65Å; V450-L453 HydrophobicContact CG1-CG 3.96Å; V450-F461 HydrophobicContact CG2-CE1 3.93Å
451H96.4Very high94.2Very high126 Ų12650.8 Ų50.858%0.58327%0.268SS*.EExtended strand (participates in β ladder)trans-116.6157.2-177.6-64.1-86.6000111.4D397 T398 T449 L453D397-H451 CarbonylContact O-C 3.56Å; T398-H451 HydrophobicContact CG2-CB 4.41Å; T398-H451 VanDerWaalsContact CG2-ND1 3.25Å; T398-H451 WeakPolarHBondContact CG2-ND1 3.49Å; T449-H451 PolarHBondContact O-CD2 2.95Å; H451-L453 VanDerWaalsContact C-N 3.34Å
452G93.8Very high94.2Very high71 Ų7148 Ų4873%0.73225%0.25SC*.SBendtrans74.425.8176.600000113.3D397D397-G452 PolarHBondContact O-N 3.22Å
453L94.1Very high94.3Very high12 Ų1242.3 Ų42.36%0.06322%0.219CC..PPolyproline II helixtrans-74151.9174.2-61.7177.5000110.4D397 I399 Y418 V450 H451 Y459 F461 T481D397-L453 WeakPolarHBondContact CA-O 3.35Å; D397-L453 PolarHBondContact O-N 2.9Å; I399-L453 HydrophobicContact CB-CD1 3.76Å; I399-L453 HydrophobicContact CD1-CD1 3.73Å; I399-L453 HydrophobicContact CG1-CD1 3.59Å; Y418-L453 HydrophobicContact CD2-CD2 4.18Å; Y418-L453 HydrophobicContact CE2-CD2 3.69Å; V450-L453 HydrophobicContact CB-CD1 4.25Å; V450-L453 HydrophobicContact CB-CG 4.5Å; V450-L453 HydrophobicContact CG1-CD1 4.19Å; V450-L453 HydrophobicContact CG1-CD2 3.65Å; V450-L453 HydrophobicContact CG1-CG 3.96Å; H451-L453 VanDerWaalsContact C-N 3.34Å; L453-Y459 HydrophobicContact CB-CE2 3.97Å; L453-Y459 HydrophobicContact CD1-CE2 4.41Å; L453-Y459 HydrophobicContact CD2-CD1 4.28Å; L453-Y459 HydrophobicContact CD2-CE1 3.76Å; L453-Y459 HydrophobicContact CD2-CE2 4.17Å; L453-Y459 HydrophobicContact CG-CE2 4.42Å; L453-F461 HydrophobicContact CD1-CZ 4.42Å; L453-T481 HydrophobicContact CB-CG2 3.66Å; L453-T481 HydrophobicContact CD1-CG2 3.98Å
454Q92.1Very high94.2Very high69 Ų6944 Ų4432%0.32223%0.226SC..PPolyproline II helixtrans-71.2137.5174.3-170.9-176.3-26.200109.5T457 Y459 T481 S538Q454-T457 WeakPolarHBondContact CB-OG1 3.45Å; Q454-T457 VanDerWaalsContact CG-OG1 3.25Å; Q454-T457 WeakPolarHBondContact CG-OG1 3.46Å; Q454-T457 PolarHBondContact NE2-OG1 2.89Å; Q454-T457 WeakPolarHBondContact O-CB 3.46Å; Q454-T457 PolarHBondContact O-OG1 2.97Å; Q454-Y459 WeakPolarHBondContact CB-OH 3.1Å; Q454-Y459 PolarHBondContact N-OH 3.23Å; Q454-T481 WeakPolarHBondContact O-CB 3.4Å; Q454-T481 WeakPolarHBondContact O-CG2 3.28Å; Q454-T481 PolarHBondContact O-OG1 3.44Å; Q454-S538 PolarHBondContact NE2-OG 3.42Å
455S92.8Very high94.3Very high9 Ų937.3 Ų37.36%0.06320%0.197CC..THydrogen-bonded Turntrans-74.5145.5-177.8-53.90000112.3Y396 T457 Q484Y396-S455 WeakPolarHBondContact O-CA 3.34Å; Y396-S455 VanDerWaalsContact O-CB 3.28Å; Y396-S455 WeakPolarHBondContact O-CB 3.44Å; Y396-S455 PolarHBondContact O-OG 3.49Å; S455-T457 PolarHBondContact O-N 3.23Å; S455-T457 PolarHBondContact O-OG1 3.48Å; S455-Q484 PolarHBondContact OG-OE1 3.15Å
456G90.1Very high94.3Very high9 Ų933.8 Ų33.89%0.09318%0.181CC..THydrogen-bonded Turntrans6521.9179.900000114.3T481 N482 R540G456-T481 PolarHBondContact N-OG1 3.44Å; G456-N482 PolarHBondContact N-O 3.33Å; G456-N482 VanDerWaalsContact N-O 3.09Å; G456-R540 WeakPolarHBondContact CA-O 3.49Å; G456-R540 PolarHBondContact O-N 3.05Å
457T90.6Very high94.1Very high6 Ų632.3 Ų32.34%0.03717%0.174CC..  trans-112.2138.2-172.1-54.30000110.7I420 Q454 S455 Y459 K480 T481I420-T457 HydrophobicContact CG1-CG2 4.26Å; I420-T457 HydrophobicContact CG2-CG2 3.73Å; Q454-T457 WeakPolarHBondContact CB-OG1 3.45Å; Q454-T457 VanDerWaalsContact CG-OG1 3.25Å; Q454-T457 WeakPolarHBondContact CG-OG1 3.46Å; Q454-T457 PolarHBondContact NE2-OG1 2.89Å; Q454-T457 WeakPolarHBondContact O-CB 3.46Å; Q454-T457 PolarHBondContact O-OG1 2.97Å; S455-T457 PolarHBondContact O-N 3.23Å; S455-T457 PolarHBondContact O-OG1 3.48Å; T457-Y459 HydrophobicContact CG2-CD2 4.32Å; T457-Y459 HydrophobicContact CG2-CE2 3.78Å; T457-Y459 WeakPolarHBondContact O-CD2 3.47Å; T457-K480 WeakPolarHBondContact O-CA 3.43Å; T457-T481 PolarHBondContact N-OG1 2.82Å; T457-T481 PolarHBondContact O-N 3.05Å; T457-T481 PolarHBondContact O-OG1 3.18Å
458K89.8Confident93.6Very high52 Ų5236.4 Ų36.423%0.22619%0.193CC..EExtended strand (participates in β ladder)trans-84.6135.9173.1-68.1178.9-178175.20109.5F421 K480 D661 E664F421-K458 HydrophobicContact CB-CB 3.9Å; F421-K458 WeakPolarHBondContact CB-O 3.44Å; F421-K458 HydrophobicContact CD1-CB 4.12Å; F421-K458 HydrophobicContact CD1-CD 4.15Å; F421-K458 HydrophobicContact CG-CB 4.44Å; F421-K458 PolarHBondContact N-O 3.44Å; K458-K480 HydrophobicContact CG-CB 4.22Å; K458-D661 WeakPolarHBondContact CE-OD1 3.4Å; K458-D661 IonicContact NZ-OD1 2.83Å; K458-D661 PolarHBondContact NZ-OD1 2.97Å; K458-D661 VanDerWaalsContact NZ-OD1 3.1Å; K458-E664 IonicContact NZ-OE1 3.24Å; K458-E664 IonicContact NZ-OE2 3.04Å; K458-E664 PolarHBondContact NZ-OE2 3.27Å
459Y91.6Very high92.9Very high13 Ų1334.8 Ų34.85%0.05120%0.197CC..EExtended strand (participates in β ladder)trans-126.1148.1179.6-73.5-89.4000110.7I399 Y418 T419 I420 L453 Q454 T457 F461 K478 L479 T481I399-Y459 HydrophobicContact CD1-CD2 4.19Å; Y418-Y459 HydrophobicContact CD2-CD1 4.15Å; Y418-Y459 HydrophobicContact CD2-CE1 4.45Å; T419-Y459 WeakPolarHBondContact O-CA 3.48Å; T419-Y459 WeakPolarHBondContact O-CD1 3.44Å; I420-Y459 HydrophobicContact CB-CE1 4.45Å; I420-Y459 HydrophobicContact CD1-CE1 4.41Å; I420-Y459 HydrophobicContact CG1-CD1 4.06Å; I420-Y459 HydrophobicContact CG1-CE1 3.42Å; I420-Y459 VanDerWaalsContact CG1-CE1 3.42Å; L453-Y459 HydrophobicContact CB-CE2 3.97Å; L453-Y459 HydrophobicContact CD1-CE2 4.41Å; L453-Y459 HydrophobicContact CD2-CD1 4.28Å; L453-Y459 HydrophobicContact CD2-CE1 3.76Å; L453-Y459 HydrophobicContact CD2-CE2 4.17Å; L453-Y459 HydrophobicContact CG-CE2 4.42Å; Q454-Y459 WeakPolarHBondContact CB-OH 3.1Å; Q454-Y459 PolarHBondContact N-OH 3.23Å; T457-Y459 HydrophobicContact CG2-CD2 4.32Å; T457-Y459 HydrophobicContact CG2-CE2 3.78Å; T457-Y459 WeakPolarHBondContact O-CD2 3.47Å; Y459-F461 VanDerWaalsContact CB-CE2 3.46Å; Y459-F461 HydrophobicContact CG-CE2 4.38Å; Y459-K478 WeakPolarHBondContact O-CA 3.49Å; Y459-L479 PolarHBondContact N-O 3.35Å; Y459-L479 PolarHBondContact O-N 3.18Å; Y459-T481 HydrophobicContact CD2-CG2 4.43Å; Y459-T481 HydrophobicContact CE2-CG2 4.09Å
460I92.3Very high92.5Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-101.4132.5167.1-62.3167000108Y418 T419 F421 V427 L430 W437 P476 G477Y418-I460 WeakPolarHBondContact CA-O 2.92Å; Y418-I460 WeakPolarHBondContact CB-O 3.21Å; T419-I460 PolarHBondContact N-O 3.46Å; T419-I460 VanDerWaalsContact N-O 3.08Å; T419-I460 PolarHBondContact O-N 2.99Å; F421-I460 HydrophobicContact CB-CG1 4.29Å; F421-I460 HydrophobicContact CD2-CD1 3.75Å; F421-I460 HydrophobicContact CD2-CG1 4.1Å; V427-I460 HydrophobicContact CG1-CD1 4.37Å; V427-I460 HydrophobicContact CG2-CD1 4.28Å; L430-I460 HydrophobicContact CD1-CD1 4.13Å; W437-I460 HydrophobicContact CH2-CB 4.34Å; W437-I460 HydrophobicContact CH2-CG2 3.76Å; W437-I460 HydrophobicContact CZ3-CG2 4.24Å; I460-P476 HydrophobicContact CG2-CB 3.65Å; I460-G477 WeakPolarHBondContact CA-O 3Å
461F95.2Very high92.2Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-117.4139.2174.1-68.4-89.9000110.6I387 I399 V401 L416 Q417 Y418 V450 L453 Y459 P476 G477 L479I387-F461 HydrophobicContact CD1-CB 4.13Å; I387-F461 WeakPolarHBondContact CD1-O 3.39Å; I399-F461 HydrophobicContact CB-CE2 4.47Å; I399-F461 HydrophobicContact CB-CZ 4.08Å; I399-F461 HydrophobicContact CD1-CE2 3.82Å; I399-F461 HydrophobicContact CD1-CZ 3.99Å; I399-F461 HydrophobicContact CG2-CE2 4.05Å; I399-F461 HydrophobicContact CG2-CZ 4Å; V401-F461 HydrophobicContact CG2-CB 4.49Å; V401-F461 HydrophobicContact CG2-CD1 3.52Å; V401-F461 HydrophobicContact CG2-CD2 4.31Å; V401-F461 HydrophobicContact CG2-CE1 3.7Å; V401-F461 HydrophobicContact CG2-CE2 4.45Å; V401-F461 HydrophobicContact CG2-CG 3.85Å; V401-F461 HydrophobicContact CG2-CZ 4.17Å; L416-F461 HydrophobicContact CD1-CB 4.43Å; L416-F461 HydrophobicContact CD1-CD1 4.05Å; L416-F461 HydrophobicContact CD2-CD1 4.21Å; L416-F461 HydrophobicContact CD2-CE1 4.45Å; L416-F461 HydrophobicContact CG-CD1 4.29Å; Q417-F461 CarbonylContact O-C 3.32Å; Q417-F461 WeakPolarHBondContact O-CA 3.23Å; Y418-F461 VanDerWaalsContact CB-CE1 3.45Å; Y418-F461 HydrophobicContact CD1-CE1 4.25Å; Y418-F461 HydrophobicContact CD2-CE1 4.35Å; Y418-F461 HydrophobicContact CG-CD1 4.17Å; Y418-F461 AromaticContact CG-CE1 3.78Å; Y418-F461 HydrophobicContact CG-CE1 3.78Å; Y418-F461 HydrophobicContact CG-CZ 4.49Å; V450-F461 HydrophobicContact CG2-CE1 3.93Å; L453-F461 HydrophobicContact CD1-CZ 4.42Å; Y459-F461 VanDerWaalsContact CB-CE2 3.46Å; Y459-F461 HydrophobicContact CG-CE2 4.38Å; F461-P476 CarbonylContact O-C 3.52Å; F461-P476 WeakPolarHBondContact O-CA 3.23Å; F461-G477 PolarHBondContact N-O 3.22Å; F461-G477 PolarHBondContact O-N 2.94Å; F461-L479 HydrophobicContact CD2-CB 3.98Å; F461-L479 HydrophobicContact CD2-CD1 3.83Å; F461-L479 HydrophobicContact CD2-CG 4.11Å; F461-L479 HydrophobicContact CE2-CB 3.86Å; F461-L479 HydrophobicContact CE2-CD1 4.1Å; F461-L479 HydrophobicContact CE2-CG 4.41Å; F461-L479 HydrophobicContact CG-CD1 4.48Å
462V95.6Very high92Very high11 Ų1136.4 Ų36.47%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-131.2129.3171.9175.90000107.7Q417 W437 N473 P476Q417-V462 HydrophobicContact CB-CB 4.47Å; Q417-V462 PolarHBondContact N-O 3.42Å; Q417-V462 PolarHBondContact O-N 2.94Å; W437-V462 HydrophobicContact CH2-CG2 3.78Å; W437-V462 HydrophobicContact CZ3-CB 4.37Å; W437-V462 HydrophobicContact CZ3-CG2 3.95Å; V462-N473 HydrophobicContact CG1-CB 3.81Å; V462-P476 HydrophobicContact CG2-CB 4.12Å; V462-P476 HydrophobicContact CG2-CG 4.3Å
463V96.6Very high92Very high0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-103.5130.1174.9-178.10000108.3P385 I387 W403 Y414 L416 N473 S474P385-V463 HydrophobicContact CB-CB 4.5Å; P385-V463 HydrophobicContact CB-CG1 4.18Å; P385-V463 HydrophobicContact CG-CB 3.97Å; P385-V463 HydrophobicContact CG-CG1 3.76Å; P385-V463 VanDerWaalsContact CG-O 3.28Å; P385-V463 WeakPolarHBondContact CG-O 3.4Å; I387-V463 HydrophobicContact CD1-CG2 4.04Å; I387-V463 HydrophobicContact CG1-CG2 3.83Å; W403-V463 HydrophobicContact CB-CG2 4.35Å; W403-V463 HydrophobicContact CD2-CB 4.35Å; W403-V463 HydrophobicContact CD2-CG1 3.77Å; W403-V463 HydrophobicContact CD2-CG2 3.75Å; W403-V463 HydrophobicContact CE3-CG1 4.36Å; W403-V463 HydrophobicContact CE3-CG2 3.59Å; W403-V463 HydrophobicContact CG-CB 4.43Å; W403-V463 HydrophobicContact CG-CG1 3.94Å; W403-V463 HydrophobicContact CG-CG2 4.1Å; W403-V463 HydrophobicContact CZ2-CG1 4.16Å; W403-V463 HydrophobicContact CZ3-CG2 4.11Å; Y414-V463 HydrophobicContact CD1-CG1 3.84Å; Y414-V463 HydrophobicContact CG-CG1 4.3Å; L416-V463 HydrophobicContact CD1-CG2 3.63Å; V463-N473 CarbonylContact O-C 3.48Å; V463-N473 WeakPolarHBondContact O-CA 3.46Å; V463-S474 PolarHBondContact N-OG 3.39Å; V463-S474 PolarHBondContact O-N 2.84Å
464K95Very high92Very high49 Ų4936.6 Ų36.621%0.21319%0.193CC..EExtended strand (participates in β ladder)trans-111.1117.2177.8179.6177.7-178.2-176.30109.6Y414 E415 I466 S471 R472 N473Y414-K464 CarbonylContact C-O 3.57Å; Y414-K464 WeakPolarHBondContact CA-O 3.44Å; E415-K464 HydrophobicContact CB-CB 4.22Å; E415-K464 PolarHBondContact N-O 3.32Å; E415-K464 PolarHBondContact O-N 2.91Å; E415-K464 IonicContact OE1-NZ 2.69Å; K464-I466 HydrophobicContact CD-CD1 4.45Å; K464-I466 HydrophobicContact CD-CG1 4.44Å; K464-I466 HydrophobicContact CG-CD1 4.41Å; K464-I466 HydrophobicContact CG-CG1 3.99Å; K464-S471 WeakPolarHBondContact CE-OG 2.87Å; K464-R472 CarbonylContact C-O 3.49Å; K464-R472 VanDerWaalsContact CA-O 3.31Å; K464-R472 WeakPolarHBondContact CA-O 3.13Å; K464-N473 WeakPolarHBondContact CB-OD1 3.4Å; K464-N473 WeakPolarHBondContact CD-OD1 3.21Å; K464-N473 VanDerWaalsContact CG-OD1 3.25Å; K464-N473 WeakPolarHBondContact CG-OD1 3.48Å
465A95.3Very high92.1Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-84133.717200000109.5P382 P385 V411 Y414 S471 R472P382-A465 HydrophobicContact CB-CB 3.95Å; P382-A465 HydrophobicContact CG-CB 4.2Å; P385-A465 HydrophobicContact CG-CB 4.01Å; V411-A465 HydrophobicContact CG1-CB 4.22Å; V411-A465 HydrophobicContact CG2-CB 4.15Å; Y414-A465 HydrophobicContact CD1-CB 3.97Å; Y414-A465 HydrophobicContact CE1-CB 3.87Å; A465-S471 CarbonylContact O-C 3.58Å; A465-S471 WeakPolarHBondContact O-CA 3.25Å; A465-S471 WeakPolarHBondContact O-CB 3.06Å; A465-R472 PolarHBondContact N-O 3.16Å; A465-R472 PolarHBondContact O-N 3.1Å
466I93.5Very high92Very high44 Ų4443.2 Ų43.223%0.22623%0.227CC..EExtended strand (participates in β ladder)trans-130133.9-171.6-52.2172.1000109.9V412 S413 E415 K464V412-I466 WeakPolarHBondContact CA-O 3.38Å; V412-I466 WeakPolarHBondContact CB-O 3.21Å; V412-I466 PolarHBondContact N-O 2.9Å; S413-I466 PolarHBondContact N-O 2.77Å; S413-I466 VanDerWaalsContact N-O 3.16Å; S413-I466 WeakPolarHBondContact O-CA 3.43Å; S413-I466 WeakPolarHBondContact O-CB 3.31Å; S413-I466 PolarHBondContact O-N 3.26Å; E415-I466 HydrophobicContact CB-CD1 3.82Å; K464-I466 HydrophobicContact CD-CD1 4.45Å; K464-I466 HydrophobicContact CD-CG1 4.44Å; K464-I466 HydrophobicContact CG-CD1 4.41Å; K464-I466 HydrophobicContact CG-CG1 3.99Å
467N91.6Very high92.1Very high13 Ų1342.9 Ų42.97%0.0722%0.224CC..EExtended strand (participates in β ladder)trans-140.2-171167.476.65.7000111.2T380 P382 S410 V412 A469 G470T380-N467 PolarHBondContact O-ND2 3.26Å; P382-N467 VanDerWaalsContact CD-CG 3.43Å; P382-N467 WeakPolarHBondContact CD-ND2 3.27Å; P382-N467 HydrophobicContact CG-CB 3.8Å; S410-N467 WeakPolarHBondContact O-CB 3.38Å; S410-N467 PolarHBondContact O-ND2 3.48Å; S410-N467 VanDerWaalsContact O-ND2 3.14Å; V412-N467 HydrophobicContact CG2-CB 4.01Å; N467-A469 VanDerWaalsContact C-N 3.25Å; N467-A469 PolarHBondContact O-N 3.31Å; N467-A469 WeakPolarHBondContact OD1-CA 3.41Å; N467-A469 WeakPolarHBondContact OD1-CB 3.39Å; N467-A469 PolarHBondContact OD1-N 2.89Å; N467-G470 PolarHBondContact N-O 2.84Å; N467-G470 PolarHBondContact O-N 3.33Å; N467-G470 PolarHBondContact OD1-N 3.07Å; N467-G470 VanDerWaalsContact OD1-N 3.15Å; N467-G470 PolarHBondContact OD1-O 3.13Å
468Q86.3Confident92.1Very high156 Ų15648.3 Ų48.373%0.72925%0.247SC*.THydrogen-bonded Turntrans-67.2-23.4-177.9-57-178.516.400113.8L379L379-Q468 HydrophobicContact CD2-CB 3.81Å
469A83.7Confident92.2Very high50 Ų5046.9 Ų46.941%0.41324%0.242SC..THydrogen-bonded Turntrans-88.6-14.218000000113.3L379 T380 N467L379-A469 HydrophobicContact CB-CB 4.04Å; L379-A469 HydrophobicContact CD2-CB 3.89Å; L379-A469 HydrophobicContact CG-CB 3.72Å; L379-A469 WeakPolarHBondContact O-CB 3.29Å; T380-A469 VanDerWaalsContact C-CB 3.45Å; N467-A469 VanDerWaalsContact C-N 3.25Å; N467-A469 PolarHBondContact O-N 3.31Å; N467-A469 WeakPolarHBondContact OD1-CA 3.41Å; N467-A469 WeakPolarHBondContact OD1-CB 3.39Å; N467-A469 PolarHBondContact OD1-N 2.89Å
470G88.9Confident92.2Very high28 Ų2848.4 Ų48.429%0.28925%0.249SC..EExtended strand (participates in β ladder)trans146.5-146.9174.600000112.4N467N467-G470 PolarHBondContact N-O 2.84Å; N467-G470 PolarHBondContact O-N 3.33Å; N467-G470 PolarHBondContact OD1-N 3.07Å; N467-G470 VanDerWaalsContact OD1-N 3.15Å; N467-G470 PolarHBondContact OD1-O 3.13Å
471S92.2Very high92.3Very high38 Ų3848.7 Ų48.727%0.26625%0.25SS..EExtended strand (participates in β ladder)trans-149.4158.6-177.255.60000113.2K464 A465K464-S471 WeakPolarHBondContact CE-OG 2.87Å; A465-S471 CarbonylContact O-C 3.58Å; A465-S471 WeakPolarHBondContact O-CA 3.25Å; A465-S471 WeakPolarHBondContact O-CB 3.06Å
472R91.8Very high92.2Very high134 Ų13450.3 Ų50.351%0.50626%0.259SS..EExtended strand (participates in β ladder)trans-138.9142.2174-71.5-66.1-174.8-930.9110A381 P382 P384 K464 A465A381-R472 HydrophobicContact CB-CG 4.1Å; P382-R472 VanDerWaalsContact O-CB 3.29Å; P382-R472 WeakPolarHBondContact O-CB 3.45Å; P382-R472 WeakPolarHBondContact O-CG 3.3Å; P384-R472 HydrophobicContact CG-CB 4.11Å; P384-R472 HydrophobicContact CG-CG 4.46Å; K464-R472 CarbonylContact C-O 3.49Å; K464-R472 VanDerWaalsContact CA-O 3.31Å; K464-R472 WeakPolarHBondContact CA-O 3.13Å; A465-R472 PolarHBondContact N-O 3.16Å; A465-R472 PolarHBondContact O-N 3.1Å
473N93.4Very high92.1Very high81 Ų8149.9 Ų49.943%0.43326%0.257SS..EExtended strand (participates in β ladder)trans-94.8146.1178.7-65.4-11.6000110P384 V462 V463 K464P384-N473 WeakPolarHBondContact CB-O 3.49Å; V462-N473 HydrophobicContact CG1-CB 3.81Å; V463-N473 CarbonylContact O-C 3.48Å; V463-N473 WeakPolarHBondContact O-CA 3.46Å; K464-N473 WeakPolarHBondContact CB-OD1 3.4Å; K464-N473 WeakPolarHBondContact CD-OD1 3.21Å; K464-N473 VanDerWaalsContact CG-OD1 3.25Å; K464-N473 WeakPolarHBondContact CG-OD1 3.48Å
474S94.8Very high91.9Very high7 Ų753.1 Ų53.15%0.04927%0.272CS..PPolyproline II helixtrans-67163.416571.60000110.9P385 V463P385-S474 WeakPolarHBondContact O-CA 3.08Å; P385-S474 WeakPolarHBondContact O-CB 3.41Å; V463-S474 PolarHBondContact N-OG 3.39Å; V463-S474 PolarHBondContact O-N 2.84Å
475E92.3Very high91.9Very high163 Ų16353.1 Ų53.176%0.76228%0.277SS*.PPolyproline II helixtrans-59147.9157.5-67.7-58.2138.200110.1G477E475-G477 PolarHBondContact O-N 2.99Å
476P91.5Very high92Very high53 Ų5353.5 Ų53.534%0.34428%0.278SS..PPolyproline II helixtrans-68.3122.8180-17.130.5000111.8V427 I460 F461 V462V427-P476 HydrophobicContact CG1-CB 4.36Å; V427-P476 HydrophobicContact CG1-CG 4.06Å; I460-P476 HydrophobicContact CG2-CB 3.65Å; F461-P476 CarbonylContact O-C 3.52Å; F461-P476 WeakPolarHBondContact O-CA 3.23Å; V462-P476 HydrophobicContact CG2-CB 4.12Å; V462-P476 HydrophobicContact CG2-CG 4.3Å
477G91.6Very high92.2Very high3 Ų356.2 Ų56.23%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-89.9138172.500000111.2E389 I460 F461 E475E389-G477 WeakPolarHBondContact OE1-CA 3.41Å; I460-G477 WeakPolarHBondContact CA-O 3Å; F461-G477 PolarHBondContact N-O 3.22Å; F461-G477 PolarHBondContact O-N 2.94Å; E475-G477 PolarHBondContact O-N 2.99Å
478K91.6Very high92.4Very high119 Ų11955.6 Ų55.652%0.51729%0.286SS..EExtended strand (participates in β ladder)trans-108.6110.6-179.8-69-179.4-174.3175.80109.6E389 Y459E389-K478 PolarHBondContact OE1-N 3.44Å; Y459-K478 WeakPolarHBondContact O-CA 3.49Å
479L92.4Very high92.8Very high22 Ų2249.6 Ų49.612%0.11526%0.259CS..EExtended strand (participates in β ladder)trans-122.3151.6-178.9-57.9173.6000109.9E389 C392 I399 V401 Y459 F461E389-L479 HydrophobicContact CB-CD2 4.39Å; E389-L479 HydrophobicContact CG-CD2 4.19Å; C392-L479 HydrophobicContact CB-CD1 3.94Å; C392-L479 HydrophobicContact CB-CD2 3.93Å; I399-L479 HydrophobicContact CD1-CB 4.02Å; I399-L479 HydrophobicContact CG2-CB 4.09Å; I399-L479 HydrophobicContact CG2-CD1 3.59Å; I399-L479 HydrophobicContact CG2-CG 4.48Å; V401-L479 HydrophobicContact CG1-CD1 4.31Å; V401-L479 HydrophobicContact CG2-CD1 3.94Å; Y459-L479 PolarHBondContact N-O 3.35Å; Y459-L479 PolarHBondContact O-N 3.18Å; F461-L479 HydrophobicContact CD2-CB 3.98Å; F461-L479 HydrophobicContact CD2-CD1 3.83Å; F461-L479 HydrophobicContact CD2-CG 4.11Å; F461-L479 HydrophobicContact CE2-CB 3.86Å; F461-L479 HydrophobicContact CE2-CD1 4.1Å; F461-L479 HydrophobicContact CE2-CG 4.41Å; F461-L479 HydrophobicContact CG-CD1 4.48Å
480K91.3Very high93.2Very high46 Ų4649.9 Ų49.920%0.226%0.256CS..EExtended strand (participates in β ladder)trans-124.3140.8-178.361.5-177.1173-175.70110.6A394 T457 K458 I656 D658 D661A394-K480 WeakPolarHBondContact CB-O 3.4Å; T457-K480 WeakPolarHBondContact O-CA 3.43Å; K458-K480 HydrophobicContact CG-CB 4.22Å; K480-I656 PolarHBondContact NZ-O 3.41Å; K480-D658 IonicContact NZ-OD1 2.9Å; K480-D661 IonicContact NZ-OD2 3.26Å; K480-D661 PolarHBondContact NZ-OD2 3.12Å
481T93.8Very high93.2Very high5 Ų554.7 Ų54.73%0.03127%0.269CS..PPolyproline II helixtrans-75150.6166.750.90000109.9S395 I399 L453 Q454 G456 T457 Y459S395-T481 CarbonylContact O-C 3.58Å; S395-T481 WeakPolarHBondContact O-CA 3.36Å; I399-T481 HydrophobicContact CD1-CG2 3.85Å; I399-T481 HydrophobicContact CG1-CG2 3.93Å; L453-T481 HydrophobicContact CB-CG2 3.66Å; L453-T481 HydrophobicContact CD1-CG2 3.98Å; Q454-T481 WeakPolarHBondContact O-CB 3.4Å; Q454-T481 WeakPolarHBondContact O-CG2 3.28Å; Q454-T481 PolarHBondContact O-OG1 3.44Å; G456-T481 PolarHBondContact N-OG1 3.44Å; T457-T481 PolarHBondContact N-OG1 2.82Å; T457-T481 PolarHBondContact O-N 3.05Å; T457-T481 PolarHBondContact O-OG1 3.18Å; Y459-T481 HydrophobicContact CD2-CG2 4.43Å; Y459-T481 HydrophobicContact CE2-CG2 4.09Å
482N93.2Very high93.2Very high34 Ų3453.1 Ų53.118%0.18226%0.258CS..PPolyproline II helixtrans-74.1167.3176.2-67.9-17.7000111.4A394 S395 Y396 G456A394-N482 PolarHBondContact O-ND2 3.28Å; S395-N482 PolarHBondContact O-N 2.85Å; Y396-N482 WeakPolarHBondContact CA-O 3.36Å; G456-N482 PolarHBondContact N-O 3.33Å; G456-N482 VanDerWaalsContact N-O 3.09Å
483S93.7Very high93.2Very high2 Ų246.9 Ų46.91%0.01424%0.235CC..PPolyproline II helixtrans-59140.7174.2-480000110.9P485 Y542 G653 L654S483-P485 WeakPolarHBondContact O-CD 3.37Å; S483-Y542 WeakPolarHBondContact CB-O 3.36Å; S483-Y542 PolarHBondContact OG-N 3.27Å; S483-Y542 PolarHBondContact OG-O 2.69Å; S483-G653 WeakPolarHBondContact O-CA 3.41Å; S483-L654 VanDerWaalsContact CB-O 3.29Å; S483-L654 WeakPolarHBondContact CB-O 3.47Å; S483-L654 PolarHBondContact OG-O 3.46Å
484Q92.6Very high93.1Very high68 Ų6843.3 Ų43.332%0.31822%0.216SC..PPolyproline II helixtrans-58.6121.4172.6-168.811438.600111S455 V534 H541S455-Q484 PolarHBondContact OG-OE1 3.15Å; Q484-V534 HydrophobicContact CG-CG1 3.9Å; Q484-H541 PolarHBondContact N-ND1 3.46Å
485P95Very high92.7Very high50 Ų5049.1 Ų49.133%0.32524%0.237SC..PPolyproline II helixtrans-68.6143.8174.728.4-34.1000110.4Y396 S483Y396-P485 VanDerWaalsContact CD1-CD 3.46Å; Y396-P485 HydrophobicContact CD1-CG 3.69Å; Y396-P485 HydrophobicContact CE1-CG 4.02Å; Y396-P485 VanDerWaalsContact CG-CD 3.41Å; Y396-P485 HydrophobicContact CG-CG 4.14Å; S483-P485 WeakPolarHBondContact O-CD 3.37Å
486F96.3Very high92.6Very high7 Ų745.4 Ų45.43%0.03122%0.218CC..  trans-141163.9177.970.2-91.4000110.9V534 W543 P639 F641 I650 T652F486-V534 HydrophobicContact CB-CB 3.72Å; F486-V534 HydrophobicContact CB-CG2 3.64Å; F486-W543 HydrophobicContact CE1-CB 3.93Å; F486-W543 AromaticContact CE1-CD2 3.86Å; F486-W543 HydrophobicContact CE1-CD2 3.86Å; F486-W543 HydrophobicContact CE1-CE3 4.27Å; F486-W543 AromaticContact CE1-CG 3.71Å; F486-W543 HydrophobicContact CE1-CG 3.71Å; F486-W543 HydrophobicContact CZ-CB 4.31Å; F486-W543 AromaticContact CZ-CD1 3.79Å; F486-W543 HydrophobicContact CZ-CD2 4.15Å; F486-W543 AromaticContact CZ-CG 3.83Å; F486-W543 HydrophobicContact CZ-CG 3.83Å; F486-P639 HydrophobicContact CD1-CG 3.89Å; F486-P639 HydrophobicContact CD2-CB 4.24Å; F486-P639 HydrophobicContact CD2-CG 4.03Å; F486-P639 HydrophobicContact CE1-CB 4.15Å; F486-P639 HydrophobicContact CE1-CG 3.54Å; F486-P639 HydrophobicContact CE2-CB 3.57Å; F486-P639 HydrophobicContact CE2-CG 3.71Å; F486-P639 HydrophobicContact CG-CG 4.12Å; F486-P639 HydrophobicContact CZ-CB 3.52Å; F486-P639 HydrophobicContact CZ-CG 3.45Å; F486-P639 VanDerWaalsContact CZ-CG 3.45Å; F486-F641 HydrophobicContact CE2-CE2 4.03Å; F486-F641 AromaticContact CE2-CZ 3.96Å; F486-F641 HydrophobicContact CE2-CZ 3.96Å; F486-F641 HydrophobicContact CZ-CZ 4.1Å; F486-I650 HydrophobicContact CD2-CD1 3.93Å; F486-I650 HydrophobicContact CE2-CD1 3.52Å; F486-I650 HydrophobicContact CZ-CD1 4.28Å; F486-T652 HydrophobicContact CD1-CG2 3.64Å; F486-T652 HydrophobicContact CD2-CG2 4.05Å; F486-T652 HydrophobicContact CE1-CG2 3.39Å; F486-T652 HydrophobicContact CE2-CG2 3.82Å; F486-T652 HydrophobicContact CG-CG2 3.95Å; F486-T652 HydrophobicContact CZ-CG2 3.49Å; F486-T652 VanDerWaalsContact CZ-CG2 3.49Å; F486-T652 PolarHBondContact N-OG1 2.77Å; F486-T652 WeakPolarHBondContact O-CG2 3.48Å; F486-T652 PolarHBondContact O-OG1 2.88Å; F486-T652 VanDerWaalsContact O-OG1 3.11Å
487K97.3Very high92.6Very high101 Ų10143.5 Ų43.544%0.43921%0.205SC..  trans-127.1158.7176.4-67.3-178.2179.4-173.60109.6D489 N503 L504 G532 N533K487-D489 PolarHBondContact O-N 2.91Å; K487-N503 HydrophobicContact CB-CB 3.87Å; K487-N503 HydrophobicContact CD-CB 4.23Å; K487-N503 HydrophobicContact CG-CB 4.41Å; K487-L504 HydrophobicContact CG-CD2 4.24Å; K487-G532 CarbonylContact O-C 3.53Å; K487-G532 VanDerWaalsContact O-CA 3.31Å; K487-G532 WeakPolarHBondContact O-CA 3.29Å; K487-N533 PolarHBondContact N-OD1 3.43Å; K487-N533 PolarHBondContact O-N 3.22Å; K487-N533 PolarHBondContact O-OD1 3.34Å
488L96.8Very high92.6Very high1 Ų147.8 Ų47.81%0.00522%0.223CC..BIsolated β-bridgetrans-67.5130.4171-60.4170000109.1P490 V499 N503 V506 V530 F641 I650L488-P490 VanDerWaalsContact O-CD 3.24Å; L488-P490 WeakPolarHBondContact O-CD 3.37Å; L488-V499 HydrophobicContact CB-CG1 3.98Å; L488-V499 HydrophobicContact CD1-CG1 4.38Å; L488-N503 WeakPolarHBondContact CB-O 3.45Å; L488-N503 WeakPolarHBondContact CG-O 3.45Å; L488-N503 PolarHBondContact N-O 3.43Å; L488-N503 WeakPolarHBondContact O-CB 3.1Å; L488-V506 HydrophobicContact CD1-CB 3.81Å; L488-V506 HydrophobicContact CD1-CG1 3.94Å; L488-V530 HydrophobicContact CB-CG2 4.14Å; L488-V530 HydrophobicContact CD2-CG1 4.07Å; L488-V530 HydrophobicContact CD2-CG2 4.38Å; L488-F641 HydrophobicContact CD2-CD2 3.52Å; L488-F641 HydrophobicContact CD2-CE2 3.66Å; L488-F641 HydrophobicContact CD2-CG 4.38Å; L488-I650 HydrophobicContact CD2-CD1 4.05Å; L488-I650 HydrophobicContact CD2-CG2 4.42Å; L488-I650 HydrophobicContact CG-CD1 3.8Å; L488-I650 HydrophobicContact CG-CG1 4.33Å
489D94.1Very high92.7Very high30 Ų3043.3 Ų43.316%0.1621%0.205CC..  trans-86.1112.1178.2171.731.7000111.2K487 K491 S492 A493 A531 N533K487-D489 PolarHBondContact O-N 2.91Å; D489-K491 PolarHBondContact O-N 2.98Å; D489-K491 WeakPolarHBondContact OD1-CB 3.5Å; D489-K491 PolarHBondContact OD1-N 2.77Å; D489-S492 PolarHBondContact O-N 2.83Å; D489-S492 PolarHBondContact O-OG 3.25Å; D489-S492 WeakPolarHBondContact OD2-CB 3.41Å; D489-S492 PolarHBondContact OD2-N 3.18Å; D489-A493 PolarHBondContact O-N 3.35Å; D489-A531 PolarHBondContact N-O 3.36Å; D489-N533 HydrophobicContact CB-CB 4.12Å
490P92.3Very high92.8Very high56 Ų5643.8 Ų43.836%0.36421%0.211SC..THydrogen-bonded Turntrans-65.4-19.4178.9-20.335000113.9L488 V499 N503 R521L488-P490 VanDerWaalsContact O-CD 3.24Å; L488-P490 WeakPolarHBondContact O-CD 3.37Å; P490-V499 HydrophobicContact CG-CB 4.48Å; P490-V499 HydrophobicContact CG-CG1 4.36Å; P490-N503 WeakPolarHBondContact CG-OD1 3.46Å; P490-R521 PolarHBondContact O-NH1 3.11Å
491K90Very high92.8Very high129 Ų12951.1 Ų51.156%0.56125%0.245SC*.THydrogen-bonded Turntrans-73-35.3176.7-62.5175.1178.4175.60111.6D489 T518D489-K491 PolarHBondContact O-N 2.98Å; D489-K491 WeakPolarHBondContact OD1-CB 3.5Å; D489-K491 PolarHBondContact OD1-N 2.77Å; K491-T518 PolarHBondContact O-OG1 2.74Å
492S91.5Very high92.9Very high4 Ų454.8 Ų54.83%0.02826%0.264CS..THydrogen-bonded Turntrans-75.5-29.2173.378.40000113.6D489 H494 R521 F522 A531D489-S492 PolarHBondContact O-N 2.83Å; D489-S492 PolarHBondContact O-OG 3.25Å; D489-S492 WeakPolarHBondContact OD2-CB 3.41Å; D489-S492 PolarHBondContact OD2-N 3.18Å; S492-H494 PolarHBondContact O-N 3.39Å; S492-R521 CarbonylContact O-C 3.56Å; S492-R521 WeakPolarHBondContact O-CA 3.42Å; S492-F522 VanDerWaalsContact O-CD2 3.26Å; S492-F522 WeakPolarHBondContact O-CD2 3.48Å; S492-F522 PolarHBondContact O-N 2.93Å; S492-A531 PolarHBondContact OG-N 3.17Å
493A91.8Very high93Very high4 Ų455.4 Ų55.43%0.03327%0.268CS..SBendtrans-57.6135-170.500000114.2D489 V499 R521 G529 V530D489-A493 PolarHBondContact O-N 3.35Å; A493-V499 HydrophobicContact CB-CG2 3.95Å; A493-R521 WeakPolarHBondContact O-CD 3.43Å; A493-R521 WeakPolarHBondContact O-CG 3.47Å; A493-R521 PolarHBondContact O-NH1 3.28Å; A493-G529 CarbonylContact C-O 3.54Å; A493-V530 HydrophobicContact CB-CB 4.1Å; A493-V530 HydrophobicContact CB-CG2 3.8Å
494H91.3Very high93.2Very high5 Ų557.6 Ų57.62%0.02328%0.279CS..  trans-59.1148.7174.5-177.8-91.4000111.6S492 K496 L497 F522 S524 Y528 G529S492-H494 PolarHBondContact O-N 3.39Å; H494-K496 PolarHBondContact ND1-N 3.26Å; H494-K496 VanDerWaalsContact ND1-N 3.14Å; H494-K496 PolarHBondContact O-N 3.44Å; H494-L497 HydrophobicContact CB-CD1 4.11Å; H494-L497 HydrophobicContact CB-CG 4.16Å; H494-L497 WeakPolarHBondContact O-CB 3.49Å; H494-L497 PolarHBondContact O-N 2.91Å; H494-F522 HydrophobicContact CB-CB 4Å; H494-F522 PolarHBondContact CD2-O 2.91Å; H494-S524 PolarHBondContact NE2-O 3.09Å; H494-Y528 AromaticContact CE1-CD1 3.43Å; H494-Y528 VanDerWaalsContact CE1-CD1 3.43Å; H494-Y528 WeakPolarHBondContact CE1-CD1 3.45Å; H494-Y528 AromaticContact CE1-CE1 3.74Å; H494-Y528 AromaticContact CG-CD1 3.93Å; H494-Y528 AromaticContact ND1-CD1 3.36Å; H494-Y528 WeakPolarHBondContact ND1-CD1 3.4Å; H494-G529 PolarHBondContact N-O 3.43Å
495R87.1Confident93.3Very high129 Ų12955.8 Ų55.849%0.48727%0.273SS..THydrogen-bonded Turntrans-58.4-23.5-174.974.7-173.796.7-176.83.3115.7L497 S512R495-L497 VanDerWaalsContact C-N 3.34Å; R495-S512 PolarHBondContact O-OG 3.29Å
496K89.1Confident93.4Very high85 Ų8553.4 Ų53.437%0.3726%0.257SS..THydrogen-bonded Turntrans-91.46.6176.8-65.9-175.7173.7-175.60113.2H494 D509 Y528H494-K496 PolarHBondContact ND1-N 3.26Å; H494-K496 VanDerWaalsContact ND1-N 3.14Å; H494-K496 PolarHBondContact O-N 3.44Å; K496-D509 PolarHBondContact O-N 3.25Å; K496-Y528 HydrophobicContact CB-CD1 4.48Å; K496-Y528 HydrophobicContact CD-CD1 4.41Å; K496-Y528 HydrophobicContact CD-CE1 3.79Å; K496-Y528 HydrophobicContact CD-CE2 4.49Å
497L91.3Very high93.2Very high13 Ų1356.5 Ų56.57%0.06827%0.272CS..EExtended strand (participates in β ladder)trans-107.2144174-61.5179.2000109.5H494 R495 V506 E507 Y528 G529 V530 V643H494-L497 HydrophobicContact CB-CD1 4.11Å; H494-L497 HydrophobicContact CB-CG 4.16Å; H494-L497 WeakPolarHBondContact O-CB 3.49Å; H494-L497 PolarHBondContact O-N 2.91Å; R495-L497 VanDerWaalsContact C-N 3.34Å; L497-V506 HydrophobicContact CB-CG2 3.97Å; L497-V506 HydrophobicContact CD1-CG2 3.88Å; L497-V506 HydrophobicContact CD2-CG2 4.03Å; L497-V506 HydrophobicContact CG-CG2 4.18Å; L497-E507 WeakPolarHBondContact CA-O 3.35Å; L497-Y528 WeakPolarHBondContact CD1-O 3.36Å; L497-G529 VanDerWaalsContact CD1-O 3.27Å; L497-G529 WeakPolarHBondContact CD1-O 3.37Å; L497-V530 HydrophobicContact CD1-CB 4.12Å; L497-V530 HydrophobicContact CD1-CG1 4.29Å; L497-V643 HydrophobicContact CD2-CB 4.41Å
498K91.8Very high92.8Very high93 Ų9355.6 Ų55.640%0.40427%0.266SS..EExtended strand (participates in β ladder)trans-117123.2169.6176.7173.6160.2-135.40107.8E507 D509K498-E507 HydrophobicContact CB-CG 3.93Å; K498-E507 WeakPolarHBondContact CD-OE1 3.36Å; K498-E507 WeakPolarHBondContact CE-OE1 3.21Å; K498-E507 HydrophobicContact CG-CG 4.41Å; K498-E507 PolarHBondContact N-O 3.01Å; K498-E507 IonicContact NZ-OE1 2.71Å; K498-E507 PolarHBondContact NZ-OE1 3.02Å; K498-E507 PolarHBondContact O-N 3.5Å; K498-D509 HydrophobicContact CB-CB 3.79Å
499V93.9Very high92.2Very high26 Ų2657 Ų5716%0.15827%0.273CS..EExtended strand (participates in β ladder)trans-92.9135.5173.2-179.10000107.3L488 P490 A493 N503 T505 V530L488-V499 HydrophobicContact CB-CG1 3.98Å; L488-V499 HydrophobicContact CD1-CG1 4.38Å; P490-V499 HydrophobicContact CG-CB 4.48Å; P490-V499 HydrophobicContact CG-CG1 4.36Å; A493-V499 HydrophobicContact CB-CG2 3.95Å; V499-N503 HydrophobicContact CG1-CB 4.1Å; V499-N503 WeakPolarHBondContact CG1-OD1 3.24Å; V499-T505 CarbonylContact C-O 3.59Å; V499-T505 WeakPolarHBondContact CA-O 3.44Å; V499-V530 HydrophobicContact CG2-CG2 4.38Å
500S94.7Very high91.2Very high32 Ų3262.8 Ų62.822%0.22430%0.299CS..  trans-64.3163.5177.154.20000112.1D502 N503 L504 T505S500-D502 VanDerWaalsContact C-N 3.27Å; S500-D502 VanDerWaalsContact CB-OD1 3.29Å; S500-D502 WeakPolarHBondContact CB-OD1 3.36Å; S500-D502 PolarHBondContact O-N 3.47Å; S500-D502 PolarHBondContact OG-OD1 2.87Å; S500-N503 WeakPolarHBondContact O-CA 3.45Å; S500-N503 PolarHBondContact O-N 2.76Å; S500-N503 PolarHBondContact O-OD1 2.96Å; S500-L504 PolarHBondContact OG-N 2.84Å; S500-T505 PolarHBondContact N-O 3.49Å; S500-T505 WeakPolarHBondContact OG-CA 3.38Å; S500-T505 WeakPolarHBondContact OG-CB 3.23Å; S500-T505 PolarHBondContact OG-N 2.92Å; S500-T505 PolarHBondContact OG-O 3.45Å
501H92.1Very high90.1Very high199 Ų19966.1 Ų66.192%0.92132%0.319SS*.THydrogen-bonded Turntrans-62-31.7-177.9-64.492.2000113.9N503H501-N503 PolarHBondContact O-N 3.04Å
502D94.7Very high88.8Confident82 Ų8261 Ų6144%0.43930%0.299SS..THydrogen-bonded Turntrans-78.8-7.517561.52.3000113.3S500 L504S500-D502 VanDerWaalsContact C-N 3.27Å; S500-D502 VanDerWaalsContact CB-OD1 3.29Å; S500-D502 WeakPolarHBondContact CB-OD1 3.36Å; S500-D502 PolarHBondContact O-N 3.47Å; S500-D502 PolarHBondContact OG-OD1 2.87Å; D502-L504 VanDerWaalsContact C-N 3.27Å; D502-L504 HydrophobicContact CB-CD1 4.48Å; D502-L504 HydrophobicContact CB-CG 4.45Å; D502-L504 PolarHBondContact O-N 3.14Å; D502-L504 PolarHBondContact OD1-N 3.49Å
503N96.6Very high87.1Confident47 Ų4766.4 Ų66.425%0.25134%0.337SS..SBendtrans58.629.4-174.1-60.2-35.3000114.8K487 L488 P490 V499 S500 H501K487-N503 HydrophobicContact CB-CB 3.87Å; K487-N503 HydrophobicContact CD-CB 4.23Å; K487-N503 HydrophobicContact CG-CB 4.41Å; L488-N503 WeakPolarHBondContact CB-O 3.45Å; L488-N503 WeakPolarHBondContact CG-O 3.45Å; L488-N503 PolarHBondContact N-O 3.43Å; L488-N503 WeakPolarHBondContact O-CB 3.1Å; P490-N503 WeakPolarHBondContact CG-OD1 3.46Å; V499-N503 HydrophobicContact CG1-CB 4.1Å; V499-N503 WeakPolarHBondContact CG1-OD1 3.24Å; S500-N503 WeakPolarHBondContact O-CA 3.45Å; S500-N503 PolarHBondContact O-N 2.76Å; S500-N503 PolarHBondContact O-OD1 2.96Å; H501-N503 PolarHBondContact O-N 3.04Å
504L96.6Very high85.5Confident48 Ų4873.9 Ų73.925%0.25137%0.369SS..  trans-111.2-12.4178.7-61.9175.7000113.5K487 S500 D502 T649 I650K487-L504 HydrophobicContact CG-CD2 4.24Å; S500-L504 PolarHBondContact OG-N 2.84Å; D502-L504 VanDerWaalsContact C-N 3.27Å; D502-L504 HydrophobicContact CB-CD1 4.48Å; D502-L504 HydrophobicContact CB-CG 4.45Å; D502-L504 PolarHBondContact O-N 3.14Å; D502-L504 PolarHBondContact OD1-N 3.49Å; L504-T649 CarbonylContact O-C 3.56Å; L504-T649 WeakPolarHBondContact O-CA 3.37Å; L504-I650 HydrophobicContact CB-CG1 4.19Å; L504-I650 HydrophobicContact CD2-CD1 4.02Å; L504-I650 HydrophobicContact CD2-CG1 3.89Å; L504-I650 VanDerWaalsContact O-CG1 3.28Å; L504-I650 WeakPolarHBondContact O-CG1 3.5Å; L504-I650 PolarHBondContact O-N 3.37Å
505T96.1Very high83.7Confident30 Ų3083.1 Ų83.118%0.18441%0.409CS..EExtended strand (participates in β ladder)trans-121.9135.3178.5-590000110.1V499 S500 C647 L648 T649V499-T505 CarbonylContact C-O 3.59Å; V499-T505 WeakPolarHBondContact CA-O 3.44Å; S500-T505 PolarHBondContact N-O 3.49Å; S500-T505 WeakPolarHBondContact OG-CA 3.38Å; S500-T505 WeakPolarHBondContact OG-CB 3.23Å; S500-T505 PolarHBondContact OG-N 2.92Å; S500-T505 PolarHBondContact OG-O 3.45Å; T505-C647 HydrophobicContact CG2-CB 3.96Å; T505-L648 WeakPolarHBondContact CA-O 3.06Å; T505-T649 WeakPolarHBondContact OG1-CG2 3.35Å; T505-T649 PolarHBondContact OG1-OG1 2.99Å
506V95.3Very high82.1Confident1 Ų179.6 Ų79.61%0.00640%0.404CS..EExtended strand (participates in β ladder)trans-119128.6170.753.40000109.8L488 L497 V530 V643 C647 L648L488-V506 HydrophobicContact CD1-CB 3.81Å; L488-V506 HydrophobicContact CD1-CG1 3.94Å; L497-V506 HydrophobicContact CB-CG2 3.97Å; L497-V506 HydrophobicContact CD1-CG2 3.88Å; L497-V506 HydrophobicContact CD2-CG2 4.03Å; L497-V506 HydrophobicContact CG-CG2 4.18Å; V506-V530 HydrophobicContact CB-CG1 4.2Å; V506-V530 HydrophobicContact CG1-CG1 4.05Å; V506-V530 HydrophobicContact CG2-CG1 3.98Å; V506-V643 HydrophobicContact CG1-CG2 3.83Å; V506-C647 CarbonylContact O-C 3.53Å; V506-C647 WeakPolarHBondContact O-CA 3.38Å; V506-C647 VanDerWaalsContact O-CB 3.25Å; V506-C647 WeakPolarHBondContact O-CB 3.39Å; V506-L648 HydrophobicContact CG1-CB 4.21Å; V506-L648 PolarHBondContact N-O 3.2Å; V506-L648 PolarHBondContact O-N 3.37Å
507E93.8Very high80.8Confident72 Ų7284.1 Ų84.134%0.33643%0.426SS..EExtended strand (participates in β ladder)trans-124.8152.4176.471-177.3173.300111L497 K498 D509 K646 C647L497-E507 WeakPolarHBondContact CA-O 3.35Å; K498-E507 HydrophobicContact CB-CG 3.93Å; K498-E507 WeakPolarHBondContact CD-OE1 3.36Å; K498-E507 WeakPolarHBondContact CE-OE1 3.21Å; K498-E507 HydrophobicContact CG-CG 4.41Å; K498-E507 PolarHBondContact N-O 3.01Å; K498-E507 IonicContact NZ-OE1 2.71Å; K498-E507 PolarHBondContact NZ-OE1 3.02Å; K498-E507 PolarHBondContact O-N 3.5Å; E507-D509 PolarHBondContact O-N 3.34Å; E507-K646 WeakPolarHBondContact CA-O 3.42Å; E507-C647 HydrophobicContact CB-CB 3.68Å
508R88.6Confident79.9Confident82 Ų8285.4 Ų85.431%0.30944%0.435SS..EExtended strand (participates in β ladder)trans-77.9122.7170.3-179.8177163.8-174.6-10109.2E510 W644 K646R508-E510 IonicContact CZ-OE1 2.73Å; R508-E510 VanDerWaalsContact CZ-OE1 3.24Å; R508-E510 IonicContact NE-OE1 3.1Å; R508-E510 PolarHBondContact NE-OE1 3.47Å; R508-E510 IonicContact NH2-OE1 2.72Å; R508-E510 PolarHBondContact NH2-OE1 3.1Å; R508-W644 WeakPolarHBondContact CD-O 3.47Å; R508-W644 PolarHBondContact NH1-O 3.25Å; R508-K646 PolarHBondContact N-O 3.42Å
509D83.3Confident79Confident30 Ų3087.1 Ų87.116%0.1646%0.455CS..  trans-108.1111.4175.9-177.1-4.4000109.4K496 K498 E507 T511 S512K496-D509 PolarHBondContact O-N 3.25Å; K498-D509 HydrophobicContact CB-CB 3.79Å; E507-D509 PolarHBondContact O-N 3.34Å; D509-T511 VanDerWaalsContact C-N 3.28Å; D509-T511 WeakPolarHBondContact OD1-CA 3.16Å; D509-T511 PolarHBondContact OD1-N 3.32Å; D509-T511 PolarHBondContact OD1-OG1 3.49Å; D509-S512 PolarHBondContact OD1-N 2.92Å; D509-S512 VanDerWaalsContact OD2-CB 3.26Å; D509-S512 WeakPolarHBondContact OD2-CB 3.43Å
510E72.6Confident78.2Confident151 Ų15190.4 Ų90.471%0.70647%0.469SS*.SBendtrans-80-11.8-179.8-56.7-156.7135.700113.1R508R508-E510 IonicContact CZ-OE1 2.73Å; R508-E510 VanDerWaalsContact CZ-OE1 3.24Å; R508-E510 IonicContact NE-OE1 3.1Å; R508-E510 PolarHBondContact NE-OE1 3.47Å; R508-E510 IonicContact NH2-OE1 2.72Å; R508-E510 PolarHBondContact NH2-OE1 3.1Å
511T69.3Low77.8Confident126 Ų12690.8 Ų90.877%0.77347%0.465SS*.SBendtrans-100.3-17.4-175.167.30000113.5D509 S513D509-T511 VanDerWaalsContact C-N 3.28Å; D509-T511 WeakPolarHBondContact OD1-CA 3.16Å; D509-T511 PolarHBondContact OD1-N 3.32Å; D509-T511 PolarHBondContact OD1-OG1 3.49Å; T511-S513 PolarHBondContact O-N 3.01Å
512S62.5Low77.6Confident22 Ų2281.4 Ų81.415%0.15442%0.422CS..  trans-71.5116.1-177.4160.20000113.5R495 D509R495-S512 PolarHBondContact O-OG 3.29Å; D509-S512 PolarHBondContact OD1-N 2.92Å; D509-S512 VanDerWaalsContact OD2-CB 3.26Å; D509-S512 WeakPolarHBondContact OD2-CB 3.43Å
513S56.3Low77Confident118 Ų11880.9 Ų80.983%0.82542%0.422SS*.  trans-108.840.9165.4-77.40000112.4T511 K515T511-S513 PolarHBondContact O-N 3.01Å; S513-K515 PolarHBondContact O-N 3.35Å; S513-K515 VanDerWaalsContact O-N 3.12Å
514K58.2Low76.2Confident160 Ų16079.4 Ų79.470%0.69642%0.415SS*.  trans-67.5111.7178.9-67.3-174.7-177.7178.90110.8S516K514-S516 PolarHBondContact O-N 2.97Å
515K53.8Low75Confident199 Ų19985.7 Ų85.787%0.86544%0.443SS*.  trans-82.9107.2167.7-71.9-176-179.9178.70108.9S513S513-K515 PolarHBondContact O-N 3.35Å; S513-K515 VanDerWaalsContact O-N 3.12Å
516S54.5Low73.9Confident55 Ų5585.5 Ų85.539%0.38545%0.448SS..  trans-139.5119.4168.2175.70000108.2K514 T518 R521K514-S516 PolarHBondContact O-N 2.97Å; S516-T518 PolarHBondContact O-N 2.95Å; S516-R521 PolarHBondContact O-NE 2.76Å; S516-R521 PolarHBondContact OG-NH2 3.23Å
517H61.7Low73.1Confident181 Ų18185.5 Ų85.584%0.83845%0.447SS*.  trans-96.272.1-179-67.2-76.7000109.5
518T72.4Confident72.9Confident40 Ų4083.1 Ų83.125%0.24544%0.435CS..  trans-94130.2168.143.50000109K491 S516 E520 R521K491-T518 PolarHBondContact O-OG1 2.74Å; S516-T518 PolarHBondContact O-N 2.95Å; T518-E520 PolarHBondContact O-N 2.98Å; T518-R521 VanDerWaalsContact O-CB 3.22Å; T518-R521 WeakPolarHBondContact O-CB 3.41Å; T518-R521 PolarHBondContact O-N 3.5Å; T518-R521 VanDerWaalsContact O-N 3.13Å; T518-R521 PolarHBondContact OG1-NE 2.81Å; T518-R521 PolarHBondContact OG1-NH2 2.74Å
519P72.5Confident73.1Confident128 Ų12879.2 Ų79.283%0.83142%0.421SS*.THydrogen-bonded Turntrans-64.7-22.1-177.224.2-33000113.2R521P519-R521 VanDerWaalsContact C-N 3.26Å; P519-R521 PolarHBondContact O-N 2.94Å
520E77.3Confident73.7Confident96 Ų9677.8 Ų77.845%0.44941%0.413SS..THydrogen-bonded Turntrans-79.7-5.8178.7-62175.6156.100113.4T518T518-E520 PolarHBondContact O-N 2.98Å
521R86.3Confident74.7Confident39 Ų3970.9 Ų70.915%0.14738%0.382CS..SBendtrans-75.2139-173.3-162.7173.8-67.9-81.9-4.4112.2P490 S492 A493 S516 T518 P519 T523P490-R521 PolarHBondContact O-NH1 3.11Å; S492-R521 CarbonylContact O-C 3.56Å; S492-R521 WeakPolarHBondContact O-CA 3.42Å; A493-R521 WeakPolarHBondContact O-CD 3.43Å; A493-R521 WeakPolarHBondContact O-CG 3.47Å; A493-R521 PolarHBondContact O-NH1 3.28Å; S516-R521 PolarHBondContact O-NE 2.76Å; S516-R521 PolarHBondContact OG-NH2 3.23Å; T518-R521 VanDerWaalsContact O-CB 3.22Å; T518-R521 WeakPolarHBondContact O-CB 3.41Å; T518-R521 PolarHBondContact O-N 3.5Å; T518-R521 VanDerWaalsContact O-N 3.13Å; T518-R521 PolarHBondContact OG1-NE 2.81Å; T518-R521 PolarHBondContact OG1-NH2 2.74Å; P519-R521 VanDerWaalsContact C-N 3.26Å; P519-R521 PolarHBondContact O-N 2.94Å; R521-T523 PolarHBondContact O-N 3.14Å
522F86.5Confident76Confident3 Ų365 Ų651%0.01335%0.347CS..  trans-63.9126.5164.8-72.6-85.1000110.3S492 H494 G529 A531 K564 I568S492-F522 VanDerWaalsContact O-CD2 3.26Å; S492-F522 WeakPolarHBondContact O-CD2 3.48Å; S492-F522 PolarHBondContact O-N 2.93Å; H494-F522 HydrophobicContact CB-CB 4Å; H494-F522 PolarHBondContact CD2-O 2.91Å; F522-G529 VanDerWaalsContact CD2-O 3.24Å; F522-G529 WeakPolarHBondContact CD2-O 3.42Å; F522-A531 HydrophobicContact CE2-CB 4.3Å; F522-K564 WeakPolarHBondContact CA-O 3.44Å; F522-K564 HydrophobicContact CD1-CB 4.22Å; F522-K564 HydrophobicContact CD1-CD 3.95Å; F522-K564 HydrophobicContact CD2-CD 4.37Å; F522-K564 HydrophobicContact CE1-CD 3.62Å; F522-K564 HydrophobicContact CE2-CD 4.06Å; F522-K564 HydrophobicContact CG-CD 4.33Å; F522-K564 HydrophobicContact CZ-CD 3.68Å; F522-I568 HydrophobicContact CE1-CG2 4.18Å
523T83.6Confident77.5Confident71 Ų7168.2 Ų68.244%0.43636%0.362SS..  trans-120.4-6.2-173.652.80000114.1R521 Q525 K564R521-T523 PolarHBondContact O-N 3.14Å; T523-Q525 PolarHBondContact O-N 3.11Å; T523-K564 PolarHBondContact N-O 3.17Å; T523-K564 VanDerWaalsContact N-O 3.1Å
524S79.4Confident79.4Confident16 Ų1663.8 Ų63.811%0.11233%0.33CS..  trans-56.1133.1-178.2-165.30000112.4H494 G526 H565H494-S524 PolarHBondContact NE2-O 3.09Å; S524-G526 PolarHBondContact O-N 2.91Å; S524-H565 WeakPolarHBondContact CB-O 3.36Å; S524-H565 PolarHBondContact OG-O 3.23Å
525Q70.9Confident81.1Confident179 Ų17960.3 Ų60.384%0.83632%0.315SS*.SBendtrans-68.2-20.5178.3-70.4-171.9-8.800113.2T523T523-Q525 PolarHBondContact O-N 3.11Å
526G72.4Confident83.1Confident27 Ų2751.1 Ų51.128%0.27828%0.275SS..SBendtrans-118.5-2.2-176.400000115.9S524 W567 W644S524-G526 PolarHBondContact O-N 2.91Å; G526-W567 WeakPolarHBondContact O-CZ2 3.38Å; G526-W644 PolarHBondContact O-NE1 3.45Å
527S79.6Confident85Confident0 Ų053 Ų530%028%0.282CS..  trans-129.3112.5-179.61740000110.1G529 T642S527-G529 PolarHBondContact O-N 3.28Å; S527-T642 WeakPolarHBondContact OG-CG2 3.37Å
528Y90.4Very high86.4Confident22 Ų2245.5 Ų45.59%0.08625%0.249CC..  trans-97.685.1-177-50.6-36.7000109H494 K496 L497 T642 V643 W644H494-Y528 AromaticContact CE1-CD1 3.43Å; H494-Y528 VanDerWaalsContact CE1-CD1 3.43Å; H494-Y528 WeakPolarHBondContact CE1-CD1 3.45Å; H494-Y528 AromaticContact CE1-CE1 3.74Å; H494-Y528 AromaticContact CG-CD1 3.93Å; H494-Y528 AromaticContact ND1-CD1 3.36Å; H494-Y528 WeakPolarHBondContact ND1-CD1 3.4Å; K496-Y528 HydrophobicContact CB-CD1 4.48Å; K496-Y528 HydrophobicContact CD-CD1 4.41Å; K496-Y528 HydrophobicContact CD-CE1 3.79Å; K496-Y528 HydrophobicContact CD-CE2 4.49Å; L497-Y528 WeakPolarHBondContact CD1-O 3.36Å; Y528-T642 WeakPolarHBondContact O-CA 3.28Å; Y528-T642 WeakPolarHBondContact O-CB 3.18Å; Y528-V643 PolarHBondContact O-N 3.28Å; Y528-V643 VanDerWaalsContact O-N 3.1Å; Y528-W644 AromaticContact CD2-CD1 3.47Å; Y528-W644 VanDerWaalsContact CD2-CD1 3.47Å; Y528-W644 HydrophobicContact CD2-CG 4.28Å; Y528-W644 AromaticContact CE2-CD1 3.56Å
529G92.3Very high87.3Confident0 Ų043.6 Ų43.60%024%0.237CC..EExtended strand (participates in β ladder)trans-96.5156.3-174.500000115.1A493 H494 L497 F522 S527 F641A493-G529 CarbonylContact C-O 3.54Å; H494-G529 PolarHBondContact N-O 3.43Å; L497-G529 VanDerWaalsContact CD1-O 3.27Å; L497-G529 WeakPolarHBondContact CD1-O 3.37Å; F522-G529 VanDerWaalsContact CD2-O 3.24Å; F522-G529 WeakPolarHBondContact CD2-O 3.42Å; S527-G529 PolarHBondContact O-N 3.28Å; G529-F641 CarbonylContact C-O 3.55Å; G529-F641 WeakPolarHBondContact CA-O 3.49Å
530V94.7Very high88.3Confident0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-146.8142.1166.759.80000108.5L488 A493 L497 V499 V506 F641L488-V530 HydrophobicContact CB-CG2 4.14Å; L488-V530 HydrophobicContact CD2-CG1 4.07Å; L488-V530 HydrophobicContact CD2-CG2 4.38Å; A493-V530 HydrophobicContact CB-CB 4.1Å; A493-V530 HydrophobicContact CB-CG2 3.8Å; L497-V530 HydrophobicContact CD1-CB 4.12Å; L497-V530 HydrophobicContact CD1-CG1 4.29Å; V499-V530 HydrophobicContact CG2-CG2 4.38Å; V506-V530 HydrophobicContact CB-CG1 4.2Å; V506-V530 HydrophobicContact CG1-CG1 4.05Å; V506-V530 HydrophobicContact CG2-CG1 3.98Å; V530-F641 HydrophobicContact CG1-CB 3.99Å; V530-F641 HydrophobicContact CG1-CD2 4.46Å; V530-F641 PolarHBondContact N-O 3.5Å; V530-F641 PolarHBondContact O-N 3.41Å
531A95Very high89.2Confident6 Ų634 Ų345%0.0518%0.181CC..EExtended strand (participates in β ladder)trans-106.9158.4176.900000111.1D489 S492 F522 P639D489-A531 PolarHBondContact N-O 3.36Å; S492-A531 PolarHBondContact OG-N 3.17Å; F522-A531 HydrophobicContact CE2-CB 4.3Å; A531-P639 CarbonylContact C-O 3.53Å
532G96.1Very high89.6Confident4 Ų432.4 Ų32.44%0.04118%0.175CC..BIsolated β-bridgetrans-69.2156.4165.200000111.7K487 V534 P639K487-G532 CarbonylContact O-C 3.53Å; K487-G532 VanDerWaalsContact O-CA 3.31Å; K487-G532 WeakPolarHBondContact O-CA 3.29Å; G532-V534 VanDerWaalsContact C-N 3.33Å; G532-P639 PolarHBondContact N-O 2.94Å
533N94.8Very high90.2Very high88 Ų8832.4 Ų32.447%0.47118%0.175SC..SBendtrans-86.80.717972.2-31.3000114.3K487 D489K487-N533 PolarHBondContact N-OD1 3.43Å; K487-N533 PolarHBondContact O-N 3.22Å; K487-N533 PolarHBondContact O-OD1 3.34Å; D489-N533 HydrophobicContact CB-CB 4.12Å
534V94.9Very high90.8Very high26 Ų2630.1 Ų30.116%0.15816%0.159CC..  trans-116.7140-178.81690000109.3Q484 F486 G532 I536 C638Q484-V534 HydrophobicContact CG-CG1 3.9Å; F486-V534 HydrophobicContact CB-CB 3.72Å; F486-V534 HydrophobicContact CB-CG2 3.64Å; G532-V534 VanDerWaalsContact C-N 3.33Å; V534-I536 HydrophobicContact CG1-CG1 4.26Å; V534-C638 WeakPolarHBondContact O-CB 3.33Å
535F94.9Very high91.7Very high87 Ų8729.3 Ų29.338%0.38215%0.153SC..  trans-107.6131168.6-68.8-88.3000108.7K560 P636 V637 C638F535-K560 HydrophobicContact CD1-CB 4.3Å; F535-K560 HydrophobicContact CE1-CB 3.5Å; F535-K560 HydrophobicContact CE1-CD 4.27Å; F535-K560 HydrophobicContact CE1-CG 3.91Å; F535-K560 HydrophobicContact CE2-CD 4.49Å; F535-K560 HydrophobicContact CZ-CB 3.95Å; F535-K560 HydrophobicContact CZ-CD 3.98Å; F535-K560 HydrophobicContact CZ-CG 3.8Å; F535-P636 HydrophobicContact CB-CB 3.93Å; F535-P636 HydrophobicContact CD1-CB 4.47Å; F535-V637 CarbonylContact C-O 3.58Å; F535-V637 WeakPolarHBondContact CA-O 3.32Å; F535-C638 HydrophobicContact CD1-CB 3.79Å; F535-C638 HydrophobicContact CE1-CB 3.76Å; F535-C638 HydrophobicContact CG-CB 4.37Å; F535-C638 HydrophobicContact CZ-CB 4.33Å
536I95.1Very high93Very high5 Ų522.7 Ų22.73%0.02613%0.125CC..BIsolated β-bridgetrans-105.3130.1180-60.8167.1000107.2V534 S538 H541 W543 L608 P636 V637V534-I536 HydrophobicContact CG1-CG1 4.26Å; I536-S538 WeakPolarHBondContact CG2-O 3.42Å; I536-H541 HydrophobicContact CD1-CB 4.02Å; I536-H541 VanDerWaalsContact CG2-CD2 3.4Å; I536-H541 WeakPolarHBondContact CG2-CD2 3.49Å; I536-H541 WeakPolarHBondContact CG2-NE2 3.27Å; I536-W543 HydrophobicContact CD1-CZ3 4.34Å; I536-L608 HydrophobicContact CB-CD2 4.07Å; I536-L608 HydrophobicContact CD1-CD2 3.92Å; I536-L608 HydrophobicContact CG2-CD2 3.75Å; I536-P636 CarbonylContact O-C 3.58Å; I536-P636 VanDerWaalsContact O-CA 3.28Å; I536-P636 WeakPolarHBondContact O-CA 3.37Å; I536-V637 HydrophobicContact CB-CG2 4.33Å; I536-V637 PolarHBondContact N-O 3.1Å; I536-V637 PolarHBondContact O-N 3.49Å
537D94.1Very high94Very high96 Ų9622 Ų2251%0.51312%0.115SC..  trans-132.46.6-174.862.91.5000113.6Y610 P636D537-Y610 VanDerWaalsContact O-CD1 3.23Å; D537-Y610 WeakPolarHBondContact O-CD1 3.26Å; D537-Y610 WeakPolarHBondContact O-CE1 3.41Å; D537-P636 HydrophobicContact CB-CB 3.99Å; D537-P636 HydrophobicContact CB-CG 3.86Å
538S92.2Very high94.4Very high22 Ų2224.4 Ų24.415%0.15413%0.132CC..SBendtrans-170.6167.2-178.756.80000110.6Q454 I536 H541Q454-S538 PolarHBondContact NE2-OG 3.42Å; I536-S538 WeakPolarHBondContact CG2-O 3.42Å; S538-H541 PolarHBondContact O-CD2 3.42Å; S538-H541 PolarHBondContact O-NE2 2.86Å
539G91.1Very high94.1Very high0 Ų025.4 Ų25.40%015%0.148CC..SBendtrans76.5-178.3172.200000115.2Y610 D611G539-Y610 WeakPolarHBondContact O-CB 3.44Å; G539-Y610 PolarHBondContact O-N 3.39Å; G539-D611 VanDerWaalsContact CA-OD2 3.23Å; G539-D611 WeakPolarHBondContact CA-OD2 3.38Å; G539-D611 VanDerWaalsContact N-CG 3.27Å; G539-D611 PolarHBondContact N-OD1 3.28Å; G539-D611 PolarHBondContact N-OD2 3.27Å; G539-D611 VanDerWaalsContact N-OD2 3.16Å
540R93.3Very high94.1Very high19 Ų1925.4 Ų25.47%0.07215%0.149CC..EExtended strand (participates in β ladder)trans-108.8126176.7-64.3179.771.9-148.8-2.3110.7G456 L608 D609 I656 L660 D661G456-R540 WeakPolarHBondContact CA-O 3.49Å; G456-R540 PolarHBondContact O-N 3.05Å; R540-L608 CarbonylContact C-O 3.51Å; R540-L608 VanDerWaalsContact CA-O 3.27Å; R540-L608 WeakPolarHBondContact CA-O 3.47Å; R540-D609 VanDerWaalsContact CD-OD2 3.31Å; R540-D609 WeakPolarHBondContact CD-OD2 3.34Å; R540-D609 HydrophobicContact CG-CB 4.03Å; R540-D609 VanDerWaalsContact CG-CG 3.47Å; R540-D609 IonicContact NE-OD2 3.47Å; R540-D609 PolarHBondContact NE-OD2 3.2Å; R540-D609 VanDerWaalsContact NE-OD2 3.15Å; R540-I656 HydrophobicContact CB-CD1 3.44Å; R540-I656 VanDerWaalsContact CB-CD1 3.44Å; R540-L660 PolarHBondContact NH2-O 2.86Å; R540-L660 VanDerWaalsContact NH2-O 3.1Å; R540-D661 IonicContact CZ-OD1 3.89Å; R540-D661 IonicContact NH1-OD1 2.63Å; R540-D661 PolarHBondContact NH1-OD1 3.25Å
541H95.4Very high93.9Very high5 Ų527.3 Ų27.32%0.02316%0.16CC..EExtended strand (participates in β ladder)trans-128.6133.3-173.8-64.7-104.2000111Q484 I536 S538 W543 L607 L608Q484-H541 PolarHBondContact N-ND1 3.46Å; I536-H541 HydrophobicContact CD1-CB 4.02Å; I536-H541 VanDerWaalsContact CG2-CD2 3.4Å; I536-H541 WeakPolarHBondContact CG2-CD2 3.49Å; I536-H541 WeakPolarHBondContact CG2-NE2 3.27Å; S538-H541 PolarHBondContact O-CD2 3.42Å; S538-H541 PolarHBondContact O-NE2 2.86Å; H541-W543 HydrophobicContact CB-CE3 4.43Å; H541-W543 HydrophobicContact CB-CZ3 4.14Å; H541-L607 WeakPolarHBondContact O-CA 3.47Å; H541-L608 HydrophobicContact CB-CB 4.41Å; H541-L608 PolarHBondContact N-O 2.76Å; H541-L608 PolarHBondContact O-N 3.38Å
542Y96.1Very high93.9Very high5 Ų531.7 Ų31.72%0.0218%0.175CC..EExtended strand (participates in β ladder)trans-123.3134.2177-177.6-104000111.4S483 E544 I606 L607 L654 P657 L660S483-Y542 WeakPolarHBondContact CB-O 3.36Å; S483-Y542 PolarHBondContact OG-N 3.27Å; S483-Y542 PolarHBondContact OG-O 2.69Å; Y542-E544 HydrophobicContact CE1-CG 3.63Å; Y542-E544 VanDerWaalsContact CE1-OE1 3.31Å; Y542-E544 WeakPolarHBondContact CE1-OE1 3.36Å; Y542-E544 VanDerWaalsContact OH-CG 3.26Å; Y542-E544 WeakPolarHBondContact OH-CG 3.16Å; Y542-E544 PolarHBondContact OH-OE1 3.08Å; Y542-I606 VanDerWaalsContact CA-O 3.3Å; Y542-I606 WeakPolarHBondContact CA-O 3.45Å; Y542-I606 VanDerWaalsContact CD2-O 3.27Å; Y542-I606 WeakPolarHBondContact CD2-O 3.17Å; Y542-L607 HydrophobicContact CD2-CB 4.24Å; Y542-L654 HydrophobicContact CD1-CB 3.9Å; Y542-L654 HydrophobicContact CD1-CD1 4.1Å; Y542-L654 HydrophobicContact CE1-CB 4.46Å; Y542-L654 HydrophobicContact CE1-CD1 3.91Å; Y542-P657 HydrophobicContact CD1-CG 4.14Å; Y542-P657 HydrophobicContact CE1-CG 3.75Å; Y542-P657 HydrophobicContact CE2-CG 4.49Å; Y542-L660 HydrophobicContact CD2-CD1 4.42Å; Y542-L660 HydrophobicContact CE2-CD1 4.04Å
543W97.3Very high93.8Very high3 Ų331.5 Ų31.51%0.01117%0.173CC..EExtended strand (participates in β ladder)trans-146.3159.1170.565.892.2000110.7F486 I536 H541 I557 I606 L608 P639 I651F486-W543 HydrophobicContact CE1-CB 3.93Å; F486-W543 AromaticContact CE1-CD2 3.86Å; F486-W543 HydrophobicContact CE1-CD2 3.86Å; F486-W543 HydrophobicContact CE1-CE3 4.27Å; F486-W543 AromaticContact CE1-CG 3.71Å; F486-W543 HydrophobicContact CE1-CG 3.71Å; F486-W543 HydrophobicContact CZ-CB 4.31Å; F486-W543 AromaticContact CZ-CD1 3.79Å; F486-W543 HydrophobicContact CZ-CD2 4.15Å; F486-W543 AromaticContact CZ-CG 3.83Å; F486-W543 HydrophobicContact CZ-CG 3.83Å; I536-W543 HydrophobicContact CD1-CZ3 4.34Å; H541-W543 HydrophobicContact CB-CE3 4.43Å; H541-W543 HydrophobicContact CB-CZ3 4.14Å; W543-I557 HydrophobicContact CH2-CG2 3.66Å; W543-I557 HydrophobicContact CZ2-CG2 3.84Å; W543-I606 HydrophobicContact CD2-CB 4.12Å; W543-I606 HydrophobicContact CD2-CG2 4.46Å; W543-I606 HydrophobicContact CH2-CB 4.44Å; W543-I606 HydrophobicContact CH2-CG2 3.74Å; W543-I606 HydrophobicContact CZ2-CB 3.86Å; W543-I606 HydrophobicContact CZ2-CG1 4.47Å; W543-I606 HydrophobicContact CZ2-CG2 3.42Å; W543-I606 VanDerWaalsContact CZ2-CG2 3.42Å; W543-I606 HydrophobicContact CZ3-CG2 4.38Å; W543-I606 PolarHBondContact N-O 3.07Å; W543-I606 VanDerWaalsContact N-O 3.1Å; W543-I606 PolarHBondContact O-N 3.15Å; W543-L608 HydrophobicContact CH2-CB 4.06Å; W543-L608 HydrophobicContact CH2-CD2 4.48Å; W543-L608 HydrophobicContact CZ3-CB 3.9Å; W543-L608 HydrophobicContact CZ3-CD2 4.48Å; W543-P639 HydrophobicContact CH2-CG 4.24Å; W543-P639 HydrophobicContact CZ2-CB 4.05Å; W543-P639 HydrophobicContact CZ2-CG 4.01Å; W543-I651 WeakPolarHBondContact CA-O 3.31Å; W543-I651 WeakPolarHBondContact CB-O 3.37Å
544E97.6Very high93.9Very high22 Ų2227.3 Ų27.310%0.10315%0.151CC..EExtended strand (participates in β ladder)trans-118.6149.1-179.5-66.2177.8177.400111.2Y542 R603 V604 A620 I651 L654Y542-E544 HydrophobicContact CE1-CG 3.63Å; Y542-E544 VanDerWaalsContact CE1-OE1 3.31Å; Y542-E544 WeakPolarHBondContact CE1-OE1 3.36Å; Y542-E544 VanDerWaalsContact OH-CG 3.26Å; Y542-E544 WeakPolarHBondContact OH-CG 3.16Å; Y542-E544 PolarHBondContact OH-OE1 3.08Å; E544-R603 HydrophobicContact CB-CG 4.1Å; E544-R603 WeakPolarHBondContact OE2-CD 3.4Å; E544-R603 IonicContact OE2-CZ 2.83Å; E544-R603 IonicContact OE2-NE 3.54Å; E544-R603 IonicContact OE2-NH1 2.77Å; E544-R603 PolarHBondContact OE2-NH1 2.71Å; E544-V604 CarbonylContact C-O 3.55Å; E544-V604 WeakPolarHBondContact CA-O 3.42Å; E544-A620 HydrophobicContact CG-CB 4.05Å; E544-I651 HydrophobicContact CB-CB 4.23Å; E544-I651 HydrophobicContact CB-CD1 4.43Å; E544-I651 PolarHBondContact N-O 3.18Å; E544-I651 PolarHBondContact O-N 3.02Å; E544-L654 HydrophobicContact CB-CD1 4.09Å; E544-L654 HydrophobicContact CG-CD1 3.68Å
545V97.8Very high94Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-120.9117.1173.7-173.30000108.9I555 R603 V604 I606 F641 L648 T649 I650V545-I555 HydrophobicContact CB-CD1 4.24Å; V545-I555 HydrophobicContact CG1-CG2 4.38Å; V545-I555 HydrophobicContact CG2-CD1 4.3Å; V545-R603 WeakPolarHBondContact O-CA 3.48Å; V545-V604 PolarHBondContact N-O 2.92Å; V545-V604 PolarHBondContact O-N 3.06Å; V545-I606 HydrophobicContact CG2-CD1 3.71Å; V545-F641 HydrophobicContact CG2-CD1 4.42Å; V545-F641 HydrophobicContact CG2-CE1 3.74Å; V545-L648 HydrophobicContact CG1-CB 4Å; V545-L648 HydrophobicContact CG1-CD1 4.2Å; V545-L648 HydrophobicContact CG1-CD2 4.2Å; V545-L648 HydrophobicContact CG1-CG 4.37Å; V545-T649 CarbonylContact C-O 3.54Å; V545-T649 WeakPolarHBondContact CA-O 3.35Å; V545-I650 HydrophobicContact CG2-CG2 4.4Å
546V97.3Very high94.1Very high40 Ų4021.9 Ų21.924%0.24213%0.125CC..EExtended strand (participates in β ladder)trans-82.8122.4173.1-176.70000109.2S548 R603 T649 I651V546-S548 PolarHBondContact O-N 3.26Å; V546-R603 HydrophobicContact CG2-CG 4.3Å; V546-T649 PolarHBondContact N-O 3.48Å; V546-T649 PolarHBondContact O-N 3.46Å; V546-T649 VanDerWaalsContact O-N 3.11Å; V546-I651 HydrophobicContact CG2-CD1 3.67Å; V546-I651 HydrophobicContact CG2-CG1 4.18Å
547I94.3Very high94.2Very high13 Ų1321.7 Ų21.77%0.06712%0.124CC..EExtended strand (participates in β ladder)trans-92.298.4-179.2-56.4155.1000108G549 S550 Y553 L601 R602 V604 L648I547-G549 PolarHBondContact O-N 2.96Å; I547-S550 VanDerWaalsContact CG2-O 3.26Å; I547-S550 WeakPolarHBondContact CG2-O 3.5Å; I547-Y553 HydrophobicContact CD1-CE1 4.35Å; I547-Y553 WeakPolarHBondContact CD1-OH 3.41Å; I547-Y553 HydrophobicContact CG1-CE1 4.21Å; I547-Y553 HydrophobicContact CG2-CD1 4.43Å; I547-Y553 HydrophobicContact CG2-CE1 3.68Å; I547-L601 HydrophobicContact CD1-CD2 4.49Å; I547-L601 HydrophobicContact CD1-CG 4.28Å; I547-R602 PolarHBondContact N-O 3.25Å; I547-V604 HydrophobicContact CD1-CG2 3.84Å; I547-L648 HydrophobicContact CG1-CD2 4.37Å; I547-L648 HydrophobicContact CG2-CD2 4.47Å
548S87.6Confident94.3Very high50 Ų5017.1 Ų17.135%0.3510%0.1SC..SBendtrans-81.854.9-176.9-63.20000112.2V546 S550 C647V546-S548 PolarHBondContact O-N 3.26Å; S548-S550 VanDerWaalsContact C-N 3.26Å; S548-S550 PolarHBondContact O-N 2.63Å; S548-C647 WeakPolarHBondContact CB-SG 3.38Å; S548-C647 PolarHBondContact N-O 2.83Å
549G84Confident94.5Very high42 Ų4217.3 Ų17.343%0.43310%0.097SC..SBendtrans7314.2-178.300000114.6I547 K646I547-G549 PolarHBondContact O-N 2.96Å; G549-K646 WeakPolarHBondContact O-CD 3.12Å
550S91.8Very high94.4Very high1 Ų123.8 Ų23.81%0.00713%0.126CC..  trans-68.1134.8169.1-1720000109.7I547 S548 W552 N645I547-S550 VanDerWaalsContact CG2-O 3.26Å; I547-S550 WeakPolarHBondContact CG2-O 3.5Å; S548-S550 VanDerWaalsContact C-N 3.26Å; S548-S550 PolarHBondContact O-N 2.63Å; S550-W552 PolarHBondContact OG-O 3.31Å; S550-N645 WeakPolarHBondContact CA-OD1 3.3Å; S550-N645 VanDerWaalsContact CB-O 3.29Å; S550-N645 WeakPolarHBondContact CB-O 3.34Å; S550-N645 PolarHBondContact OG-O 3.32Å; S550-N645 PolarHBondContact OG-OD1 3.33Å
551T92.3Very high94.2Very high40 Ų4026.3 Ų26.325%0.24515%0.146CC..  trans-112.5-9.3176.255.80000112R579 N581 N645T551-R579 CarbonylContact O-C 3.59Å; T551-R579 WeakPolarHBondContact O-CG 3.48Å; T551-N581 PolarHBondContact O-N 2.64Å; T551-N645 PolarHBondContact N-OD1 3.08Å; T551-N645 PolarHBondContact OG1-ND2 3.19Å
552W93.7Very high94Very high97 Ų9726.4 Ų26.437%0.36715%0.148SC..EExtended strand (participates in β ladder)trans-130101.5-177.7-75.234.5000109.4S550 R579 N581 W644 N645S550-W552 PolarHBondContact OG-O 3.31Å; W552-R579 VanDerWaalsContact CA-O 3.3Å; W552-R579 WeakPolarHBondContact CA-O 3.47Å; W552-N581 VanDerWaalsContact CD1-N 3.27Å; W552-N581 PolarHBondContact NE1-ND2 3.33Å; W552-N581 PolarHBondContact NE1-OD1 3.46Å; W552-W644 HydrophobicContact CB-CB 3.67Å; W552-W644 HydrophobicContact CB-CD2 4.44Å; W552-W644 HydrophobicContact CB-CE3 3.94Å; W552-W644 HydrophobicContact CB-CG 4.41Å; W552-W644 HydrophobicContact CE3-CB 3.93Å; W552-W644 HydrophobicContact CE3-CD2 4.47Å; W552-W644 HydrophobicContact CE3-CG 4.16Å; W552-W644 PolarHBondContact O-N 3.42Å; W552-N645 PolarHBondContact N-OD1 2.95Å; W552-N645 VanDerWaalsContact N-OD1 3.1Å
553Y94.9Very high93.6Very high0 Ų028 Ų280%016%0.158CC..EExtended strand (participates in β ladder)trans-157.1164.8177.858.1-96.1000112.1I547 I555 L577 C578 R579 W584 T642 L648I547-Y553 HydrophobicContact CD1-CE1 4.35Å; I547-Y553 WeakPolarHBondContact CD1-OH 3.41Å; I547-Y553 HydrophobicContact CG1-CE1 4.21Å; I547-Y553 HydrophobicContact CG2-CD1 4.43Å; I547-Y553 HydrophobicContact CG2-CE1 3.68Å; Y553-I555 HydrophobicContact CD2-CG2 4.02Å; Y553-I555 HydrophobicContact CE2-CD1 4.23Å; Y553-L577 HydrophobicContact CE2-CD2 4.21Å; Y553-C578 WeakPolarHBondContact O-CA 3.23Å; Y553-R579 HydrophobicContact CD1-CB 4.18Å; Y553-R579 HydrophobicContact CD2-CB 4.37Å; Y553-R579 HydrophobicContact CE1-CB 3.73Å; Y553-R579 HydrophobicContact CE1-CG 4.29Å; Y553-R579 HydrophobicContact CE2-CB 3.94Å; Y553-R579 HydrophobicContact CG-CB 4.48Å; Y553-R579 PolarHBondContact N-O 3.31Å; Y553-R579 PolarHBondContact O-N 2.69Å; Y553-W584 HydrophobicContact CE2-CZ3 4.47Å; Y553-W584 WeakPolarHBondContact OH-CH2 3.35Å; Y553-W584 WeakPolarHBondContact OH-CZ3 3.34Å; Y553-T642 WeakPolarHBondContact CA-O 3.31Å; Y553-T642 WeakPolarHBondContact CB-O 3.42Å; Y553-L648 HydrophobicContact CD1-CD2 4.28Å; Y553-L648 HydrophobicContact CG-CD1 4.41Å; Y553-L648 HydrophobicContact CG-CD2 4.3Å
554A95.7Very high93.1Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans-136138.316100000110.5I568 V576 L577 C578 F641 T642A554-I568 HydrophobicContact CB-CD1 3.86Å; A554-I568 HydrophobicContact CB-CG1 3.99Å; A554-V576 HydrophobicContact CB-CB 4.3Å; A554-V576 HydrophobicContact CB-CG2 4.28Å; A554-L577 CarbonylContact C-O 3.48Å; A554-L577 WeakPolarHBondContact CA-O 3.2Å; A554-C578 HydrophobicContact CB-CB 4.19Å; A554-C578 WeakPolarHBondContact CB-SG 3.37Å; A554-F641 CarbonylContact O-C 3.5Å; A554-F641 WeakPolarHBondContact O-CA 3.47Å; A554-T642 VanDerWaalsContact CB-OG1 3.25Å; A554-T642 WeakPolarHBondContact CB-OG1 3.19Å; A554-T642 PolarHBondContact N-O 2.91Å; A554-T642 PolarHBondContact N-OG1 3.49Å; A554-T642 VanDerWaalsContact N-OG1 3.07Å; A554-T642 PolarHBondContact O-N 3.18Å; A554-T642 PolarHBondContact O-OG1 3.39Å
555I97.3Very high92.5Very high0 Ų034.2 Ų34.20%019%0.187CC..EExtended strand (participates in β ladder)trans-135.2140.6-175.161.3-177.7000109.7V545 Y553 V576 L577 V604 I606 F641 L648V545-I555 HydrophobicContact CB-CD1 4.24Å; V545-I555 HydrophobicContact CG1-CG2 4.38Å; V545-I555 HydrophobicContact CG2-CD1 4.3Å; Y553-I555 HydrophobicContact CD2-CG2 4.02Å; Y553-I555 HydrophobicContact CE2-CD1 4.23Å; I555-V576 CarbonylContact O-C 3.58Å; I555-V576 VanDerWaalsContact O-CA 3.27Å; I555-V576 WeakPolarHBondContact O-CA 3.37Å; I555-L577 HydrophobicContact CD1-CD2 4.48Å; I555-L577 HydrophobicContact CG1-CB 4.3Å; I555-L577 HydrophobicContact CG1-CD2 4.37Å; I555-L577 PolarHBondContact N-O 2.9Å; I555-L577 PolarHBondContact O-N 2.84Å; I555-V604 HydrophobicContact CD1-CB 3.61Å; I555-V604 HydrophobicContact CD1-CG1 3.68Å; I555-V604 HydrophobicContact CD1-CG2 3.91Å; I555-I606 HydrophobicContact CD1-CD1 4.46Å; I555-F641 HydrophobicContact CB-CD1 4.17Å; I555-F641 HydrophobicContact CG2-CD1 3.8Å; I555-L648 HydrophobicContact CG2-CD1 3.7Å
556G97.4Very high92Very high0 Ų037.8 Ų37.80%020%0.204CC..EExtended strand (participates in β ladder)trans165.2-139.2178.200000111.5W575 P639 T640G556-W575 WeakPolarHBondContact CA-O 3.45Å; G556-P639 WeakPolarHBondContact O-CA 3.33Å; G556-T640 PolarHBondContact N-O 3.38Å; G556-T640 PolarHBondContact O-N 3.46Å
557I97.9Very high91.5Very high0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-128.8158.9-179.268.7-177.2000111.9W543 S574 W575 L608 L615 I631 F633 V637 C638W543-I557 HydrophobicContact CH2-CG2 3.66Å; W543-I557 HydrophobicContact CZ2-CG2 3.84Å; I557-S574 WeakPolarHBondContact O-CA 3.46Å; I557-W575 HydrophobicContact CD1-CE3 4.4Å; I557-W575 HydrophobicContact CG1-CB 4.31Å; I557-W575 HydrophobicContact CG1-CE3 4.05Å; I557-W575 PolarHBondContact N-O 2.99Å; I557-W575 PolarHBondContact O-N 3.07Å; I557-L608 HydrophobicContact CD1-CD1 3.97Å; I557-L615 HydrophobicContact CD1-CB 4.36Å; I557-L615 HydrophobicContact CD1-CD1 4.08Å; I557-L615 HydrophobicContact CD1-CD2 3.7Å; I557-L615 HydrophobicContact CD1-CG 4.26Å; I557-L615 HydrophobicContact CG1-CD2 3.7Å; I557-L615 HydrophobicContact CG2-CD1 4.08Å; I557-I631 HydrophobicContact CD1-CD1 4.3Å; I557-F633 HydrophobicContact CD1-CE1 3.7Å; I557-F633 HydrophobicContact CD1-CZ 3.99Å; I557-V637 HydrophobicContact CB-CB 4.3Å; I557-V637 HydrophobicContact CD1-CB 4.24Å; I557-V637 HydrophobicContact CD1-CG1 4.12Å; I557-V637 HydrophobicContact CD1-CG2 4.26Å; I557-C638 CarbonylContact C-O 3.59Å; I557-C638 VanDerWaalsContact CA-O 3.3Å; I557-C638 WeakPolarHBondContact CA-O 3.24Å
558S96.3Very high91.4Very high0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans-147.8152.817158.50000112A573 V637 C638 T640S558-A573 CarbonylContact C-O 3.46Å; S558-A573 WeakPolarHBondContact CA-O 3.31Å; S558-A573 WeakPolarHBondContact CB-O 3.04Å; S558-V637 WeakPolarHBondContact O-CA 3.49Å; S558-C638 PolarHBondContact N-O 2.84Å; S558-C638 PolarHBondContact O-N 2.97Å; S558-T640 WeakPolarHBondContact OG-CB 3Å; S558-T640 PolarHBondContact OG-OG1 3.04Å
559Y95.6Very high91.5Very high26 Ų2637.3 Ų37.310%0.10219%0.189CC..EExtended strand (participates in β ladder)trans-67.5157.8165.9-62.8-42.2000111.5S561 A562 A573 W575 F633 G634 Q635 V637Y559-S561 WeakPolarHBondContact CB-OG 3.26Å; Y559-S561 PolarHBondContact O-N 2.92Å; Y559-A562 WeakPolarHBondContact O-CB 3.25Å; Y559-A562 PolarHBondContact O-N 3.18Å; Y559-A573 HydrophobicContact CD2-CB 3.96Å; Y559-A573 PolarHBondContact N-O 2.83Å; Y559-W575 HydrophobicContact CD2-CH2 4.19Å; Y559-W575 HydrophobicContact CD2-CZ3 4.24Å; Y559-W575 HydrophobicContact CE1-CH2 4.32Å; Y559-W575 HydrophobicContact CE1-CZ3 4.24Å; Y559-W575 AromaticContact CE2-CH2 3.5Å; Y559-W575 HydrophobicContact CE2-CH2 3.5Å; Y559-W575 VanDerWaalsContact CE2-CH2 3.5Å; Y559-W575 AromaticContact CE2-CZ3 3.94Å; Y559-W575 HydrophobicContact CE2-CZ3 3.94Å; Y559-W575 AromaticContact CZ-CH2 3.57Å; Y559-W575 AromaticContact CZ-CZ3 3.93Å; Y559-F633 HydrophobicContact CE1-CD1 4.2Å; Y559-F633 WeakPolarHBondContact OH-CA 3.43Å; Y559-G634 PolarHBondContact OH-N 2.82Å; Y559-G634 VanDerWaalsContact OH-N 3.12Å; Y559-Q635 HydrophobicContact CD1-CB 3.69Å; Y559-Q635 WeakPolarHBondContact CD1-O 3.47Å; Y559-Q635 HydrophobicContact CE1-CB 3.97Å; Y559-Q635 WeakPolarHBondContact CE1-O 3.34Å; Y559-Q635 HydrophobicContact CG-CB 4.09Å; Y559-V637 HydrophobicContact CD1-CG1 3.5Å; Y559-V637 VanDerWaalsContact CD1-CG1 3.5Å; Y559-V637 HydrophobicContact CE1-CG1 3.47Å; Y559-V637 VanDerWaalsContact CE1-CG1 3.47Å
560K89.1Confident91.8Very high137 Ų13739.4 Ų39.460%0.59619%0.187SC*.THydrogen-bonded Turntrans-55.8-35.4171.5-170.1171.8-178.9175.70112.4F535 A562F535-K560 HydrophobicContact CD1-CB 4.3Å; F535-K560 HydrophobicContact CE1-CB 3.5Å; F535-K560 HydrophobicContact CE1-CD 4.27Å; F535-K560 HydrophobicContact CE1-CG 3.91Å; F535-K560 HydrophobicContact CE2-CD 4.49Å; F535-K560 HydrophobicContact CZ-CB 3.95Å; F535-K560 HydrophobicContact CZ-CD 3.98Å; F535-K560 HydrophobicContact CZ-CG 3.8Å; K560-A562 PolarHBondContact O-N 3.38Å
561S89.5Confident91.9Very high71 Ų7140 Ų4050%0.49719%0.19SC..THydrogen-bonded Turntrans-72.2-6.3179.452.90000114.2Y559 Q635Y559-S561 WeakPolarHBondContact CB-OG 3.26Å; Y559-S561 PolarHBondContact O-N 2.92Å; S561-Q635 PolarHBondContact OG-OE1 2.96Å
562A90.1Very high92Very high8 Ų841.8 Ų41.87%0.06620%0.204CC..SBendtrans-61128.9-17700000112.3Y559 K560 K564 A573Y559-A562 WeakPolarHBondContact O-CB 3.25Å; Y559-A562 PolarHBondContact O-N 3.18Å; K560-A562 PolarHBondContact O-N 3.38Å; A562-K564 PolarHBondContact O-N 3.29Å; A562-A573 HydrophobicContact CB-CB 3.85Å
563P88.3Confident92Very high37 Ų3737.6 Ų37.624%0.2419%0.19CC..  trans-55.1123.6179.4-26.432.6000113.1H565 E566 N571P563-H565 VanDerWaalsContact C-N 3.34Å; P563-E566 HydrophobicContact CB-CB 4.18Å; P563-E566 HydrophobicContact CB-CG 3.98Å; P563-N571 HydrophobicContact CG-CB 4.44Å
564K87.4Confident92.1Very high38 Ų3837.6 Ų37.617%0.16519%0.19CC..THydrogen-bonded Turntrans-83.4-7.3-179.4-57.6-56.3-176-171.20114.6F522 T523 A562F522-K564 WeakPolarHBondContact CA-O 3.44Å; F522-K564 HydrophobicContact CD1-CB 4.22Å; F522-K564 HydrophobicContact CD1-CD 3.95Å; F522-K564 HydrophobicContact CD2-CD 4.37Å; F522-K564 HydrophobicContact CE1-CD 3.62Å; F522-K564 HydrophobicContact CE2-CD 4.06Å; F522-K564 HydrophobicContact CG-CD 4.33Å; F522-K564 HydrophobicContact CZ-CD 3.68Å; T523-K564 PolarHBondContact N-O 3.17Å; T523-K564 VanDerWaalsContact N-O 3.1Å; A562-K564 PolarHBondContact O-N 3.29Å
565H85.3Confident92.2Very high119 Ų11938.3 Ų38.355%0.55119%0.193SC*.THydrogen-bonded Turntrans-99-8.9178.660.7-83.5000113.1S524 P563S524-H565 WeakPolarHBondContact CB-O 3.36Å; S524-H565 PolarHBondContact OG-O 3.23Å; P563-H565 VanDerWaalsContact C-N 3.34Å
566E86.8Confident92.2Very high75 Ų7538.3 Ų38.335%0.3519%0.193SC..SBendtrans-102.6173.7178.6-63.1179.4-168.200112.2P563P563-E566 HydrophobicContact CB-CB 4.18Å; P563-E566 HydrophobicContact CB-CG 3.98Å
567W86.9Confident92.2Very high85 Ų8538.3 Ų38.332%0.32219%0.193SC..PPolyproline II helixtrans-80.4136.7173.3-71.933.6000110.1G526 G569 K570 W644G526-W567 WeakPolarHBondContact O-CZ2 3.38Å; W567-G569 PolarHBondContact O-N 3.45Å; W567-K570 HydrophobicContact CB-CB 4.28Å; W567-K570 HydrophobicContact CB-CD 3.87Å; W567-K570 HydrophobicContact CB-CG 3.87Å; W567-K570 HydrophobicContact CG-CD 4.29Å; W567-K570 WeakPolarHBondContact O-CB 3.49Å; W567-K570 PolarHBondContact O-N 2.48Å; W567-W644 HydrophobicContact CD2-CZ2 4.31Å; W567-W644 HydrophobicContact CE3-CH2 4.06Å; W567-W644 HydrophobicContact CE3-CZ2 4.08Å; W567-W644 HydrophobicContact CH2-CH2 4.27Å; W567-W644 AromaticContact CH2-CZ2 3.86Å; W567-W644 HydrophobicContact CH2-CZ2 3.86Å; W567-W644 HydrophobicContact CZ2-CZ2 4.09Å; W567-W644 AromaticContact CZ3-CH2 3.85Å; W567-W644 HydrophobicContact CZ3-CH2 3.85Å; W567-W644 AromaticContact CZ3-CZ2 3.86Å; W567-W644 HydrophobicContact CZ3-CZ2 3.86Å
568I90.7Very high92.1Very high7 Ų738.5 Ų38.54%0.03619%0.194CC..THydrogen-bonded Turntrans-61.5138.3171.762.1178.1000110.2F522 A554 K570 V576 T640 T642F522-I568 HydrophobicContact CE1-CG2 4.18Å; A554-I568 HydrophobicContact CB-CD1 3.86Å; A554-I568 HydrophobicContact CB-CG1 3.99Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 3.12Å; I568-V576 HydrophobicContact CB-CG1 4.1Å; I568-V576 HydrophobicContact CD1-CG1 3.88Å; I568-V576 HydrophobicContact CG1-CG1 4Å; I568-T640 HydrophobicContact CD1-CG2 4.12Å; I568-T640 HydrophobicContact CG2-CG2 4.42Å; I568-T642 HydrophobicContact CD1-CG2 3.45Å; I568-T642 VanDerWaalsContact CD1-CG2 3.45Å; I568-T642 HydrophobicContact CG1-CG2 3.69Å
569G90.4Very high92Very high0 Ų040.2 Ų40.20%020%0.201CC..THydrogen-bonded Turntrans83.9-14.9-170.300000115.2W567 S574 R587 H588 N589 S590W567-G569 PolarHBondContact O-N 3.45Å; G569-S574 PolarHBondContact N-OG 3.47Å; G569-R587 WeakPolarHBondContact O-CG 3.2Å; G569-H588 CarbonylContact O-C 3.42Å; G569-H588 WeakPolarHBondContact O-CA 3.34Å; G569-N589 PolarHBondContact O-N 3.03Å; G569-S590 PolarHBondContact O-N 3.15Å
570K91.6Very high91.9Very high87 Ų8742.1 Ų42.138%0.37822%0.217SC..SBendtrans-84.3-10.6177.9-68.7-161.8-179.9-178.30114.3W567 I568 S590W567-K570 HydrophobicContact CB-CB 4.28Å; W567-K570 HydrophobicContact CB-CD 3.87Å; W567-K570 HydrophobicContact CB-CG 3.87Å; W567-K570 HydrophobicContact CG-CD 4.29Å; W567-K570 WeakPolarHBondContact O-CB 3.49Å; W567-K570 PolarHBondContact O-N 2.48Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 3.12Å; K570-S590 WeakPolarHBondContact CA-OG 3.25Å; K570-S590 PolarHBondContact O-N 3.27Å; K570-S590 PolarHBondContact O-OG 3.4Å
571N92.5Very high91.9Very high13 Ų1339.6 Ų39.67%0.0721%0.21CC..SBendtrans-111.1169.4174.45465.2000111.5P563 A573 S574 N589P563-N571 HydrophobicContact CG-CB 4.44Å; N571-A573 PolarHBondContact O-N 3.48Å; N571-A573 WeakPolarHBondContact OD1-CA 3.49Å; N571-A573 PolarHBondContact OD1-N 3.41Å; N571-A573 VanDerWaalsContact OD1-N 3.08Å; N571-S574 PolarHBondContact OD1-N 3.12Å; N571-S574 PolarHBondContact OD1-OG 3.33Å; N571-N589 WeakPolarHBondContact O-CA 3.38Å; N571-N589 PolarHBondContact O-N 2.68Å
572S93.9Very high91.9Very high78 Ų7843.1 Ų43.155%0.54522%0.223SC..THydrogen-bonded Turntrans-75-2176.855.90000114.3H588S572-H588 PolarHBondContact O-CE1 3.26Å
573A95.1Very high92.1Very high9 Ų946.9 Ų46.97%0.07425%0.246CC..THydrogen-bonded Turntrans-107.711.4-174.600000113.4S558 Y559 A562 N571S558-A573 CarbonylContact C-O 3.46Å; S558-A573 WeakPolarHBondContact CA-O 3.31Å; S558-A573 WeakPolarHBondContact CB-O 3.04Å; Y559-A573 HydrophobicContact CD2-CB 3.96Å; Y559-A573 PolarHBondContact N-O 2.83Å; A562-A573 HydrophobicContact CB-CB 3.85Å; N571-A573 PolarHBondContact O-N 3.48Å; N571-A573 WeakPolarHBondContact OD1-CA 3.49Å; N571-A573 PolarHBondContact OD1-N 3.41Å; N571-A573 VanDerWaalsContact OD1-N 3.08Å
574S95.8Very high92.4Very high0 Ų046.3 Ų46.30%024%0.239CC..EExtended strand (participates in β ladder)trans-147.2145.4-18051.10000113I557 G569 N571 H588I557-S574 WeakPolarHBondContact O-CA 3.46Å; G569-S574 PolarHBondContact N-OG 3.47Å; N571-S574 PolarHBondContact OD1-N 3.12Å; N571-S574 PolarHBondContact OD1-OG 3.33Å; S574-H588 PolarHBondContact O-ND1 2.8Å
575W98Very high92.9Very high14 Ų1445.1 Ų45.15%0.05324%0.235CC..EExtended strand (participates in β ladder)trans-134.2119.6-178.9-62.7-100.4000108.5G556 I557 Y559 H588 L615 F629 I631G556-W575 WeakPolarHBondContact CA-O 3.45Å; I557-W575 HydrophobicContact CD1-CE3 4.4Å; I557-W575 HydrophobicContact CG1-CB 4.31Å; I557-W575 HydrophobicContact CG1-CE3 4.05Å; I557-W575 PolarHBondContact N-O 2.99Å; I557-W575 PolarHBondContact O-N 3.07Å; Y559-W575 HydrophobicContact CD2-CH2 4.19Å; Y559-W575 HydrophobicContact CD2-CZ3 4.24Å; Y559-W575 HydrophobicContact CE1-CH2 4.32Å; Y559-W575 HydrophobicContact CE1-CZ3 4.24Å; Y559-W575 AromaticContact CE2-CH2 3.5Å; Y559-W575 HydrophobicContact CE2-CH2 3.5Å; Y559-W575 VanDerWaalsContact CE2-CH2 3.5Å; Y559-W575 AromaticContact CE2-CZ3 3.94Å; Y559-W575 HydrophobicContact CE2-CZ3 3.94Å; Y559-W575 AromaticContact CZ-CH2 3.57Å; Y559-W575 AromaticContact CZ-CZ3 3.93Å; W575-H588 AromaticContact CD1-CE1 3.98Å; W575-H588 AromaticContact CD1-CG 3.48Å; W575-H588 VanDerWaalsContact CD1-CG 3.48Å; W575-H588 AromaticContact CD1-ND1 3.39Å; W575-H588 AromaticContact CD2-ND1 3.77Å; W575-H588 AromaticContact CE2-CE1 3.3Å; W575-H588 AromaticContact CE2-ND1 3.36Å; W575-H588 HydrophobicContact CG-CB 4.39Å; W575-H588 AromaticContact CG-ND1 3.77Å; W575-H588 AromaticContact CZ2-CE1 3.44Å; W575-H588 VanDerWaalsContact CZ2-CE1 3.44Å; W575-H588 WeakPolarHBondContact CZ2-CE1 3.46Å; W575-H588 AromaticContact CZ2-ND1 3.96Å; W575-H588 AromaticContact NE1-CD2 3.74Å; W575-H588 AromaticContact NE1-CE1 3.23Å; W575-H588 PolarHBondContact NE1-CE1 3.06Å; W575-H588 AromaticContact NE1-CG 3.42Å; W575-H588 AromaticContact NE1-ND1 3.12Å; W575-H588 PolarHBondContact NE1-ND1 3.33Å; W575-H588 VanDerWaalsContact NE1-ND1 3.12Å; W575-H588 AromaticContact NE1-NE2 3.65Å; W575-L615 HydrophobicContact CB-CD2 3.72Å; W575-F629 HydrophobicContact CB-CD2 4.11Å; W575-F629 HydrophobicContact CB-CE2 4.14Å; W575-F629 HydrophobicContact CB-CG 4.47Å; W575-F629 AromaticContact CD1-CD1 3.74Å; W575-F629 AromaticContact CD1-CG 3.83Å; W575-I631 HydrophobicContact CB-CD1 4.33Å; W575-I631 HydrophobicContact CD2-CD1 3.76Å; W575-I631 HydrophobicContact CD2-CG1 4.47Å; W575-I631 HydrophobicContact CE3-CD1 4.42Å; W575-I631 HydrophobicContact CG-CD1 3.69Å; W575-I631 HydrophobicContact CG-CG1 4.47Å; W575-I631 HydrophobicContact CH2-CG2 4.07Å; W575-I631 HydrophobicContact CZ2-CG2 3.62Å
576V97.7Very high93.5Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-143.7148.2-168.5-63.70000112.7A554 I555 I568 C578 V586 R587 T640A554-V576 HydrophobicContact CB-CB 4.3Å; A554-V576 HydrophobicContact CB-CG2 4.28Å; I555-V576 CarbonylContact O-C 3.58Å; I555-V576 VanDerWaalsContact O-CA 3.27Å; I555-V576 WeakPolarHBondContact O-CA 3.37Å; I568-V576 HydrophobicContact CB-CG1 4.1Å; I568-V576 HydrophobicContact CD1-CG1 3.88Å; I568-V576 HydrophobicContact CG1-CG1 4Å; V576-C578 VanDerWaalsContact CG2-SG 3.53Å; V576-V586 CarbonylContact O-C 3.52Å; V576-V586 WeakPolarHBondContact O-CA 3.11Å; V576-R587 HydrophobicContact CG2-CB 4.06Å; V576-R587 PolarHBondContact N-O 2.9Å; V576-R587 VanDerWaalsContact N-O 3.08Å; V576-R587 PolarHBondContact O-N 2.81Å; V576-T640 HydrophobicContact CG1-CG2 4.15Å
577L97.6Very high93.9Very high0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-91131.8160.3-178.5153.2000108.4Y553 A554 I555 W584 V586 I595 V604 F617 L626Y553-L577 HydrophobicContact CE2-CD2 4.21Å; A554-L577 CarbonylContact C-O 3.48Å; A554-L577 WeakPolarHBondContact CA-O 3.2Å; I555-L577 HydrophobicContact CD1-CD2 4.48Å; I555-L577 HydrophobicContact CG1-CB 4.3Å; I555-L577 HydrophobicContact CG1-CD2 4.37Å; I555-L577 PolarHBondContact N-O 2.9Å; I555-L577 PolarHBondContact O-N 2.84Å; L577-W584 HydrophobicContact CD2-CE3 3.97Å; L577-W584 HydrophobicContact CD2-CZ3 3.93Å; L577-V586 HydrophobicContact CB-CG1 4.38Å; L577-V586 HydrophobicContact CG-CG1 4.47Å; L577-I595 HydrophobicContact CD1-CD1 3.74Å; L577-I595 HydrophobicContact CG-CD1 4.11Å; L577-V604 HydrophobicContact CD1-CG1 4.5Å; L577-F617 HydrophobicContact CB-CD1 3.7Å; L577-F617 HydrophobicContact CB-CD2 4.45Å; L577-F617 HydrophobicContact CB-CE1 3.72Å; L577-F617 HydrophobicContact CB-CE2 4.47Å; L577-F617 HydrophobicContact CB-CG 4.08Å; L577-F617 HydrophobicContact CB-CZ 4.12Å; L577-F617 HydrophobicContact CD1-CB 3.83Å; L577-F617 HydrophobicContact CD1-CD1 4.04Å; L577-F617 HydrophobicContact CD1-CG 3.96Å; L577-L626 HydrophobicContact CD1-CD1 3.87Å
578C95.5Very high94.4Very high5 Ų535.1 Ų35.13%0.03419%0.191CC..EExtended strand (participates in β ladder)trans-123139.8-176.3-58.30000111.1Y553 A554 V576 W584 V585 R587Y553-C578 WeakPolarHBondContact O-CA 3.23Å; A554-C578 HydrophobicContact CB-CB 4.19Å; A554-C578 WeakPolarHBondContact CB-SG 3.37Å; V576-C578 VanDerWaalsContact CG2-SG 3.53Å; C578-W584 WeakPolarHBondContact O-CA 3.42Å; C578-V585 HydrophobicContact CB-CG2 3.76Å; C578-V585 PolarHBondContact N-O 3.19Å; C578-V585 PolarHBondContact O-N 3.22Å; C578-R587 PolarHBondContact SG-NH1 3.04Å
579R94.2Very high94.6Very high36 Ų3638.7 Ų38.714%0.13621%0.21CC..EExtended strand (participates in β ladder)trans-119.6130.7166.2-170.1-171.9178.3158.32.8109.4T551 W552 Y553 N581 T583 W584T551-R579 CarbonylContact O-C 3.59Å; T551-R579 WeakPolarHBondContact O-CG 3.48Å; W552-R579 VanDerWaalsContact CA-O 3.3Å; W552-R579 WeakPolarHBondContact CA-O 3.47Å; Y553-R579 HydrophobicContact CD1-CB 4.18Å; Y553-R579 HydrophobicContact CD2-CB 4.37Å; Y553-R579 HydrophobicContact CE1-CB 3.73Å; Y553-R579 HydrophobicContact CE1-CG 4.29Å; Y553-R579 HydrophobicContact CE2-CB 3.94Å; Y553-R579 HydrophobicContact CG-CB 4.48Å; Y553-R579 PolarHBondContact N-O 3.31Å; Y553-R579 PolarHBondContact O-N 2.69Å; R579-N581 PolarHBondContact NE-O 3.02Å; R579-T583 WeakPolarHBondContact CA-O 3.36Å; R579-W584 HydrophobicContact CB-CD2 4.18Å; R579-W584 HydrophobicContact CB-CE3 3.9Å; R579-W584 HydrophobicContact CB-CH2 4.37Å; R579-W584 HydrophobicContact CB-CZ3 4.01Å; R579-W584 VanDerWaalsContact CD-CZ2 3.44Å; R579-W584 HydrophobicContact CG-CD2 3.87Å; R579-W584 HydrophobicContact CG-CE3 4.06Å; R579-W584 HydrophobicContact CG-CH2 4.13Å; R579-W584 HydrophobicContact CG-CZ2 3.92Å; R579-W584 HydrophobicContact CG-CZ3 4.2Å
580C92.8Very high94.8Very high65 Ų6542.4 Ų42.444%0.43924%0.236SC..EExtended strand (participates in β ladder)trans-131.2101.3170.1-173.30000108.5N582 T583C580-N582 PolarHBondContact O-N 3.04Å; C580-T583 PolarHBondContact N-O 3.4Å; C580-T583 WeakPolarHBondContact O-CB 3.43Å; C580-T583 PolarHBondContact O-N 2.8Å
581N90.8Very high95Very high84 Ų8445.6 Ų45.645%0.44925%0.249SC..THydrogen-bonded Turntrans56.3-107.6-169.3-71.9-36.4000111.7T551 W552 R579T551-N581 PolarHBondContact O-N 2.64Å; W552-N581 VanDerWaalsContact CD1-N 3.27Å; W552-N581 PolarHBondContact NE1-ND2 3.33Å; W552-N581 PolarHBondContact NE1-OD1 3.46Å; R579-N581 PolarHBondContact NE-O 3.02Å
582N89Confident95.2Very high145 Ų14549.8 Ų49.878%0.77527%0.269SS*.THydrogen-bonded Turntrans-101.9-5.5-179.3-65-13.1000112.1C580C580-N582 PolarHBondContact O-N 3.04Å
583T93.3Very high95.4Very high88 Ų8849.5 Ų49.554%0.5426%0.261SS..EExtended strand (participates in β ladder)trans-88129.5178.3-50.40000109.6R579 C580 V585R579-T583 WeakPolarHBondContact CA-O 3.36Å; C580-T583 PolarHBondContact N-O 3.4Å; C580-T583 WeakPolarHBondContact O-CB 3.43Å; C580-T583 PolarHBondContact O-N 2.8Å; T583-V585 HydrophobicContact CG2-CG1 4.15Å
584W95.6Very high95.4Very high25 Ų2554 Ų5410%0.09529%0.289CS..EExtended strand (participates in β ladder)trans-120.4128.6175.4-62.585000109.3Y553 L577 C578 R579 P594 I595 P597 L601Y553-W584 HydrophobicContact CE2-CZ3 4.47Å; Y553-W584 WeakPolarHBondContact OH-CH2 3.35Å; Y553-W584 WeakPolarHBondContact OH-CZ3 3.34Å; L577-W584 HydrophobicContact CD2-CE3 3.97Å; L577-W584 HydrophobicContact CD2-CZ3 3.93Å; C578-W584 WeakPolarHBondContact O-CA 3.42Å; R579-W584 HydrophobicContact CB-CD2 4.18Å; R579-W584 HydrophobicContact CB-CE3 3.9Å; R579-W584 HydrophobicContact CB-CH2 4.37Å; R579-W584 HydrophobicContact CB-CZ3 4.01Å; R579-W584 VanDerWaalsContact CD-CZ2 3.44Å; R579-W584 HydrophobicContact CG-CD2 3.87Å; R579-W584 HydrophobicContact CG-CE3 4.06Å; R579-W584 HydrophobicContact CG-CH2 4.13Å; R579-W584 HydrophobicContact CG-CZ2 3.92Å; R579-W584 HydrophobicContact CG-CZ3 4.2Å; W584-P594 WeakPolarHBondContact O-CA 3.34Å; W584-I595 HydrophobicContact CB-CD1 4.33Å; W584-I595 HydrophobicContact CB-CG1 3.69Å; W584-I595 WeakPolarHBondContact CB-O 3.23Å; W584-I595 PolarHBondContact O-N 3.48Å; W584-P597 HydrophobicContact CB-CG 4.01Å; W584-P597 HydrophobicContact CD2-CB 4.43Å; W584-P597 HydrophobicContact CD2-CG 3.61Å; W584-P597 HydrophobicContact CE3-CG 3.75Å; W584-P597 HydrophobicContact CG-CG 3.75Å; W584-P597 HydrophobicContact CZ3-CG 4.29Å; W584-L601 HydrophobicContact CE3-CD2 4.39Å; W584-L601 HydrophobicContact CH2-CB 3.87Å; W584-L601 HydrophobicContact CH2-CD2 3.3Å; W584-L601 HydrophobicContact CH2-CG 4.06Å; W584-L601 HydrophobicContact CZ2-CB 4.18Å; W584-L601 HydrophobicContact CZ2-CD2 4.23Å; W584-L601 HydrophobicContact CZ3-CD2 3.4Å; W584-L601 VanDerWaalsContact CZ3-CD2 3.4Å
585V96.9Very high95.4Very high13 Ų1355 Ų558%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-139.6148.9177.5-590000109.2C578 T583 E592 I593C578-V585 HydrophobicContact CB-CG2 3.76Å; C578-V585 PolarHBondContact N-O 3.19Å; C578-V585 PolarHBondContact O-N 3.22Å; T583-V585 HydrophobicContact CG2-CG1 4.15Å; V585-E592 HydrophobicContact CB-CB 4.29Å; V585-E592 HydrophobicContact CG1-CB 4.4Å; V585-E592 HydrophobicContact CG2-CB 4.46Å; V585-E592 HydrophobicContact CG2-CG 4.27Å; V585-I593 CarbonylContact C-O 3.56Å; V585-I593 VanDerWaalsContact CA-O 3.22Å; V585-I593 WeakPolarHBondContact CA-O 3.47Å
586V97.7Very high95.1Very high1 Ų163.7 Ų63.71%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-95.1139.7157.8-65.20000108.4V576 L577 E592 I593 I595 Y627 F629V576-V586 CarbonylContact O-C 3.52Å; V576-V586 WeakPolarHBondContact O-CA 3.11Å; L577-V586 HydrophobicContact CB-CG1 4.38Å; L577-V586 HydrophobicContact CG-CG1 4.47Å; V586-E592 WeakPolarHBondContact O-CA 3.36Å; V586-I593 HydrophobicContact CG2-CB 3.72Å; V586-I593 HydrophobicContact CG2-CD1 4.5Å; V586-I593 HydrophobicContact CG2-CG2 4.37Å; V586-I593 PolarHBondContact N-O 3.02Å; V586-I593 PolarHBondContact O-N 3.33Å; V586-I595 HydrophobicContact CG1-CD1 4.12Å; V586-I595 HydrophobicContact CG1-CG2 4.2Å; V586-I595 HydrophobicContact CG2-CG2 4.34Å; V586-Y627 HydrophobicContact CB-CD1 3.93Å; V586-Y627 HydrophobicContact CB-CE1 4.27Å; V586-Y627 HydrophobicContact CB-CG 4.22Å; V586-Y627 HydrophobicContact CG1-CD1 3.81Å; V586-Y627 HydrophobicContact CG1-CG 3.8Å; V586-Y627 HydrophobicContact CG2-CD1 3.6Å; V586-Y627 HydrophobicContact CG2-CD2 3.88Å; V586-Y627 HydrophobicContact CG2-CE1 3.64Å; V586-Y627 HydrophobicContact CG2-CE2 3.93Å; V586-Y627 HydrophobicContact CG2-CG 3.72Å; V586-F629 HydrophobicContact CB-CE2 4.09Å; V586-F629 HydrophobicContact CB-CZ 3.73Å; V586-F629 HydrophobicContact CG2-CZ 4.19Å
587R96.9Very high94.7Very high20 Ų2064.6 Ų64.68%0.07534%0.341CS..EExtended strand (participates in β ladder)trans-134.2131.2-170.9-168.7-166.8-70.6127.44.8111.9G569 V576 C578 K591 E592G569-R587 WeakPolarHBondContact O-CG 3.2Å; V576-R587 HydrophobicContact CG2-CB 4.06Å; V576-R587 PolarHBondContact N-O 2.9Å; V576-R587 VanDerWaalsContact N-O 3.08Å; V576-R587 PolarHBondContact O-N 2.81Å; C578-R587 PolarHBondContact SG-NH1 3.04Å; R587-K591 VanDerWaalsContact CA-O 3.3Å; R587-K591 WeakPolarHBondContact CA-O 3.26Å; R587-K591 WeakPolarHBondContact CG-O 3.36Å; R587-E592 HydrophobicContact CB-CG 4.28Å; R587-E592 HydrophobicContact CG-CG 3.82Å; R587-E592 IonicContact CZ-OE1 3.95Å; R587-E592 IonicContact NE-OE1 3.08Å; R587-E592 PolarHBondContact NE-OE1 2.87Å; R587-E592 IonicContact NH2-OE1 3.64Å; R587-E592 PolarHBondContact NH2-OE1 3.36Å
588H96.8Very high94.2Very high48 Ų4866.2 Ų66.222%0.22235%0.354CS..EExtended strand (participates in β ladder)trans-151.7138.7170.9169.767.9000110.1G569 S572 S574 W575 S590 K591 F629G569-H588 CarbonylContact O-C 3.42Å; G569-H588 WeakPolarHBondContact O-CA 3.34Å; S572-H588 PolarHBondContact O-CE1 3.26Å; S574-H588 PolarHBondContact O-ND1 2.8Å; W575-H588 AromaticContact CD1-CE1 3.98Å; W575-H588 AromaticContact CD1-CG 3.48Å; W575-H588 VanDerWaalsContact CD1-CG 3.48Å; W575-H588 AromaticContact CD1-ND1 3.39Å; W575-H588 AromaticContact CD2-ND1 3.77Å; W575-H588 AromaticContact CE2-CE1 3.3Å; W575-H588 AromaticContact CE2-ND1 3.36Å; W575-H588 HydrophobicContact CG-CB 4.39Å; W575-H588 AromaticContact CG-ND1 3.77Å; W575-H588 AromaticContact CZ2-CE1 3.44Å; W575-H588 VanDerWaalsContact CZ2-CE1 3.44Å; W575-H588 WeakPolarHBondContact CZ2-CE1 3.46Å; W575-H588 AromaticContact CZ2-ND1 3.96Å; W575-H588 AromaticContact NE1-CD2 3.74Å; W575-H588 AromaticContact NE1-CE1 3.23Å; W575-H588 PolarHBondContact NE1-CE1 3.06Å; W575-H588 AromaticContact NE1-CG 3.42Å; W575-H588 AromaticContact NE1-ND1 3.12Å; W575-H588 PolarHBondContact NE1-ND1 3.33Å; W575-H588 VanDerWaalsContact NE1-ND1 3.12Å; W575-H588 AromaticContact NE1-NE2 3.65Å; H588-S590 PolarHBondContact O-N 2.71Å; H588-K591 PolarHBondContact N-O 2.99Å; H588-K591 VanDerWaalsContact N-O 3.1Å; H588-K591 WeakPolarHBondContact O-CB 3.45Å; H588-K591 PolarHBondContact O-N 2.73Å; H588-F629 HydrophobicContact CB-CE1 3.83Å; H588-F629 HydrophobicContact CB-CZ 4.31Å
589N95.6Very high93.3Very high82 Ų8271.5 Ų71.544%0.43939%0.389SS..THydrogen-bonded Turntrans48.544178.5-164.526.2000113.8G569 N571 K591G569-N589 PolarHBondContact O-N 3.03Å; N571-N589 WeakPolarHBondContact O-CA 3.38Å; N571-N589 PolarHBondContact O-N 2.68Å; N589-K591 PolarHBondContact O-N 3.02Å
590S94.1Very high92.7Very high77 Ų7777 Ų7754%0.53842%0.416SS..THydrogen-bonded Turntrans62.23-176.4-67.80000115.9G569 K570 H588G569-S590 PolarHBondContact O-N 3.15Å; K570-S590 WeakPolarHBondContact CA-OG 3.25Å; K570-S590 PolarHBondContact O-N 3.27Å; K570-S590 PolarHBondContact O-OG 3.4Å; H588-S590 PolarHBondContact O-N 2.71Å
591K95.9Very high92.5Very high154 Ų15474.1 Ų74.167%0.6740%0.396SS*.EExtended strand (participates in β ladder)trans-84.8132.5168.7-68.3176.9173.5178.80109.2R587 H588 N589R587-K591 VanDerWaalsContact CA-O 3.3Å; R587-K591 WeakPolarHBondContact CA-O 3.26Å; R587-K591 WeakPolarHBondContact CG-O 3.36Å; H588-K591 PolarHBondContact N-O 2.99Å; H588-K591 VanDerWaalsContact N-O 3.1Å; H588-K591 WeakPolarHBondContact O-CB 3.45Å; H588-K591 PolarHBondContact O-N 2.73Å; N589-K591 PolarHBondContact O-N 3.02Å
592E96.4Very high92.6Very high101 Ų10178 Ų7847%0.47240%0.404SS..EExtended strand (participates in β ladder)trans-116131.4176-68.4-176.9177.400109.2V585 V586 R587V585-E592 HydrophobicContact CB-CB 4.29Å; V585-E592 HydrophobicContact CG1-CB 4.4Å; V585-E592 HydrophobicContact CG2-CB 4.46Å; V585-E592 HydrophobicContact CG2-CG 4.27Å; V586-E592 WeakPolarHBondContact O-CA 3.36Å; R587-E592 HydrophobicContact CB-CG 4.28Å; R587-E592 HydrophobicContact CG-CG 3.82Å; R587-E592 IonicContact CZ-OE1 3.95Å; R587-E592 IonicContact NE-OE1 3.08Å; R587-E592 PolarHBondContact NE-OE1 2.87Å; R587-E592 IonicContact NH2-OE1 3.64Å; R587-E592 PolarHBondContact NH2-OE1 3.36Å
593I96.9Very high92.9Very high73 Ų7374.8 Ų74.837%0.37438%0.381SS..EExtended strand (participates in β ladder)trans-118.3119.6174.2-59.3166.4000106.6V585 V586 Y627V585-I593 CarbonylContact C-O 3.56Å; V585-I593 VanDerWaalsContact CA-O 3.22Å; V585-I593 WeakPolarHBondContact CA-O 3.47Å; V586-I593 HydrophobicContact CG2-CB 3.72Å; V586-I593 HydrophobicContact CG2-CD1 4.5Å; V586-I593 HydrophobicContact CG2-CG2 4.37Å; V586-I593 PolarHBondContact N-O 3.02Å; V586-I593 PolarHBondContact O-N 3.33Å; I593-Y627 HydrophobicContact CD1-CE2 4.31Å; I593-Y627 WeakPolarHBondContact CD1-OH 3.34Å; I593-Y627 HydrophobicContact CG2-CE2 4.37Å
594P96.6Very high93Very high104 Ų10470.6 Ų70.668%0.67536%0.355SS*.EExtended strand (participates in β ladder)trans-66.8142.717828.9-33.6000110.7W584W584-P594 WeakPolarHBondContact O-CA 3.34Å
595I95.8Very high93.1Very high21 Ų2169.4 Ų69.411%0.10835%0.351CS..  trans-128.6158.7172.360.2166.3000109L577 W584 V586 P597 L626 Y627L577-I595 HydrophobicContact CD1-CD1 3.74Å; L577-I595 HydrophobicContact CG-CD1 4.11Å; W584-I595 HydrophobicContact CB-CD1 4.33Å; W584-I595 HydrophobicContact CB-CG1 3.69Å; W584-I595 WeakPolarHBondContact CB-O 3.23Å; W584-I595 PolarHBondContact O-N 3.48Å; V586-I595 HydrophobicContact CG1-CD1 4.12Å; V586-I595 HydrophobicContact CG1-CG2 4.2Å; V586-I595 HydrophobicContact CG2-CG2 4.34Å; I595-P597 HydrophobicContact CD1-CG 3.92Å; I595-P597 HydrophobicContact CG1-CG 4.14Å; I595-P597 WeakPolarHBondContact O-CD 3.37Å; I595-L626 HydrophobicContact CD1-CB 4.41Å; I595-Y627 HydrophobicContact CG2-CD2 4.35Å
596E91.9Very high93.1Very high196 Ų19668.8 Ų68.892%0.91635%0.347SS*.  trans-123.380.3-179.5-65.3-173.6173.800111
597P89.3Confident93.1Very high18 Ų1869 Ų6912%0.11735%0.349CS..  trans-70.6164.1175.7-18.634.8000111.9W584 I595 L601 L626W584-P597 HydrophobicContact CB-CG 4.01Å; W584-P597 HydrophobicContact CD2-CB 4.43Å; W584-P597 HydrophobicContact CD2-CG 3.61Å; W584-P597 HydrophobicContact CE3-CG 3.75Å; W584-P597 HydrophobicContact CG-CG 3.75Å; W584-P597 HydrophobicContact CZ3-CG 4.29Å; I595-P597 HydrophobicContact CD1-CG 3.92Å; I595-P597 HydrophobicContact CG1-CG 4.14Å; I595-P597 WeakPolarHBondContact O-CD 3.37Å; P597-L601 HydrophobicContact CB-CB 4.44Å; P597-L601 HydrophobicContact CB-CD2 3.96Å; P597-L601 HydrophobicContact CG-CD2 4.45Å; P597-L626 HydrophobicContact CB-CD2 3.96Å; P597-L626 HydrophobicContact CG-CD2 4.27Å
598A85.4Confident93.1Very high34 Ų3468.1 Ų68.128%0.28135%0.345SS..  trans-55.3143.317300000111.9H600 L601A598-H600 PolarHBondContact O-N 3.13Å; A598-L601 PolarHBondContact O-N 2.82Å; A598-L601 VanDerWaalsContact O-N 3.09Å
599P77Confident93Very high117 Ų11766.3 Ų66.376%0.7634%0.337SS*.THydrogen-bonded Turntrans-60.3-14.1-172.519.1-30.6000114.8
600H81.5Confident92.9Very high151 Ų15164.1 Ų64.170%0.69932%0.323SS*.THydrogen-bonded Turntrans-125.338.6178.6-61.3-45.6000113.2A598 R602A598-H600 PolarHBondContact O-N 3.13Å; H600-R602 WeakPolarHBondContact O-CG 3.17Å; H600-R602 PolarHBondContact O-N 2.99Å
601L89.3Confident92.7Very high5 Ų565 Ų653%0.02632%0.322CS..  trans-56.5110.6172.7-172.267.7000110.9I547 W584 P597 A598 R603 V604 D619 L626I547-L601 HydrophobicContact CD1-CD2 4.49Å; I547-L601 HydrophobicContact CD1-CG 4.28Å; W584-L601 HydrophobicContact CE3-CD2 4.39Å; W584-L601 HydrophobicContact CH2-CB 3.87Å; W584-L601 HydrophobicContact CH2-CD2 3.3Å; W584-L601 HydrophobicContact CH2-CG 4.06Å; W584-L601 HydrophobicContact CZ2-CB 4.18Å; W584-L601 HydrophobicContact CZ2-CD2 4.23Å; W584-L601 HydrophobicContact CZ3-CD2 3.4Å; W584-L601 VanDerWaalsContact CZ3-CD2 3.4Å; P597-L601 HydrophobicContact CB-CB 4.44Å; P597-L601 HydrophobicContact CB-CD2 3.96Å; P597-L601 HydrophobicContact CG-CD2 4.45Å; A598-L601 PolarHBondContact O-N 2.82Å; A598-L601 VanDerWaalsContact O-N 3.09Å; L601-R603 WeakPolarHBondContact CD1-O 3.48Å; L601-V604 HydrophobicContact CD2-CG2 3.57Å; L601-V604 HydrophobicContact CG-CG2 4.12Å; L601-D619 HydrophobicContact CD1-CB 3.51Å; L601-D619 WeakPolarHBondContact CD1-OD2 3.31Å; L601-L626 HydrophobicContact CD2-CD1 4.1Å
602R91.9Very high92.4Very high166 Ų16663.1 Ų63.163%0.62632%0.319SS*.  trans-106.5-19.8-179.3-72.5177.2-170.5-144.42.7113I547 H600 L621I547-R602 PolarHBondContact N-O 3.25Å; H600-R602 WeakPolarHBondContact O-CG 3.17Å; H600-R602 PolarHBondContact O-N 2.99Å; R602-L621 HydrophobicContact CB-CD1 4.11Å
603R95.7Very high92.3Very high76 Ų7658.9 Ų58.929%0.28730%0.302SS..EExtended strand (participates in β ladder)trans-145127.7-176.3-160.7-179.4-58.6-175.4-2.1110.6E544 V545 V546 L601 A620 L621E544-R603 HydrophobicContact CB-CG 4.1Å; E544-R603 WeakPolarHBondContact OE2-CD 3.4Å; E544-R603 IonicContact OE2-CZ 2.83Å; E544-R603 IonicContact OE2-NE 3.54Å; E544-R603 IonicContact OE2-NH1 2.77Å; E544-R603 PolarHBondContact OE2-NH1 2.71Å; V545-R603 WeakPolarHBondContact O-CA 3.48Å; V546-R603 HydrophobicContact CG2-CG 4.3Å; L601-R603 WeakPolarHBondContact CD1-O 3.48Å; R603-A620 HydrophobicContact CB-CB 4.13Å; R603-A620 HydrophobicContact CG-CB 3.9Å; R603-A620 PolarHBondContact O-N 3.11Å; R603-L621 HydrophobicContact CB-CD1 4.44Å; R603-L621 HydrophobicContact CB-CG 4.09Å
604V96.9Very high92.3Very high0 Ų056.5 Ų56.50%029%0.292CS..EExtended strand (participates in β ladder)trans-107.5123.9175.6178.80000108.3E544 V545 I547 I555 L577 L601 I606 F617 Y618E544-V604 CarbonylContact C-O 3.55Å; E544-V604 WeakPolarHBondContact CA-O 3.42Å; V545-V604 PolarHBondContact N-O 2.92Å; V545-V604 PolarHBondContact O-N 3.06Å; I547-V604 HydrophobicContact CD1-CG2 3.84Å; I555-V604 HydrophobicContact CD1-CB 3.61Å; I555-V604 HydrophobicContact CD1-CG1 3.68Å; I555-V604 HydrophobicContact CD1-CG2 3.91Å; L577-V604 HydrophobicContact CD1-CG1 4.5Å; L601-V604 HydrophobicContact CD2-CG2 3.57Å; L601-V604 HydrophobicContact CG-CG2 4.12Å; V604-I606 HydrophobicContact CG1-CD1 4.09Å; V604-I606 HydrophobicContact CG1-CG1 4.41Å; V604-F617 HydrophobicContact CG1-CD1 4.1Å; V604-Y618 CarbonylContact C-O 3.56Å; V604-Y618 VanDerWaalsContact CA-O 3.32Å; V604-Y618 WeakPolarHBondContact CA-O 3.31Å
605G97Very high92.3Very high0 Ų051.6 Ų51.60%026%0.26CS..EExtended strand (participates in β ladder)trans-88.4137.7168.200000109.7F617 Y618G605-F617 CarbonylContact O-C 3.19Å; G605-F617 WeakPolarHBondContact O-CA 3.42Å; G605-Y618 PolarHBondContact N-O 3.48Å; G605-Y618 PolarHBondContact O-N 3.25Å
606I97.6Very high92.4Very high0 Ų050.7 Ų50.70%026%0.256CS..EExtended strand (participates in β ladder)trans-121.4120.7176.7-58.385.6000107.3Y542 W543 V545 I555 V604 L615 A616 F617Y542-I606 VanDerWaalsContact CA-O 3.3Å; Y542-I606 WeakPolarHBondContact CA-O 3.45Å; Y542-I606 VanDerWaalsContact CD2-O 3.27Å; Y542-I606 WeakPolarHBondContact CD2-O 3.17Å; W543-I606 HydrophobicContact CD2-CB 4.12Å; W543-I606 HydrophobicContact CD2-CG2 4.46Å; W543-I606 HydrophobicContact CH2-CB 4.44Å; W543-I606 HydrophobicContact CH2-CG2 3.74Å; W543-I606 HydrophobicContact CZ2-CB 3.86Å; W543-I606 HydrophobicContact CZ2-CG1 4.47Å; W543-I606 HydrophobicContact CZ2-CG2 3.42Å; W543-I606 VanDerWaalsContact CZ2-CG2 3.42Å; W543-I606 HydrophobicContact CZ3-CG2 4.38Å; W543-I606 PolarHBondContact N-O 3.07Å; W543-I606 VanDerWaalsContact N-O 3.1Å; W543-I606 PolarHBondContact O-N 3.15Å; V545-I606 HydrophobicContact CG2-CD1 3.71Å; I555-I606 HydrophobicContact CD1-CD1 4.46Å; V604-I606 HydrophobicContact CG1-CD1 4.09Å; V604-I606 HydrophobicContact CG1-CG1 4.41Å; I606-L615 HydrophobicContact CG2-CD1 3.5Å; I606-A616 WeakPolarHBondContact CA-O 3.21Å; I606-F617 HydrophobicContact CG1-CD1 3.86Å; I606-F617 HydrophobicContact CG1-CE1 3.85Å; I606-F617 HydrophobicContact CG2-CE1 4.34Å
607L96.9Very high92.7Very high7 Ų741.4 Ų41.44%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-110.4112.5173.6179.263.5000108.6H541 Y542 L615 A616 Y618 I656 L660H541-L607 WeakPolarHBondContact O-CA 3.47Å; Y542-L607 HydrophobicContact CD2-CB 4.24Å; L607-L615 WeakPolarHBondContact O-CA 3.26Å; L607-A616 HydrophobicContact CB-CB 4.4Å; L607-A616 PolarHBondContact N-O 3.4Å; L607-A616 PolarHBondContact O-N 3.15Å; L607-Y618 HydrophobicContact CB-CD2 4.49Å; L607-Y618 HydrophobicContact CB-CE2 3.84Å; L607-Y618 HydrophobicContact CD2-CE2 4.24Å; L607-I656 HydrophobicContact CD1-CD1 4.27Å; L607-I656 HydrophobicContact CD1-CG1 4.27Å; L607-I656 HydrophobicContact CD1-CG2 4.08Å; L607-L660 HydrophobicContact CD2-CB 4.33Å
608L96.3Very high93Very high0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-96.8119.4170170.864.1000108.1I536 R540 H541 W543 I557 L615 F633 V637I536-L608 HydrophobicContact CB-CD2 4.07Å; I536-L608 HydrophobicContact CD1-CD2 3.92Å; I536-L608 HydrophobicContact CG2-CD2 3.75Å; R540-L608 CarbonylContact C-O 3.51Å; R540-L608 VanDerWaalsContact CA-O 3.27Å; R540-L608 WeakPolarHBondContact CA-O 3.47Å; H541-L608 HydrophobicContact CB-CB 4.41Å; H541-L608 PolarHBondContact N-O 2.76Å; H541-L608 PolarHBondContact O-N 3.38Å; W543-L608 HydrophobicContact CH2-CB 4.06Å; W543-L608 HydrophobicContact CH2-CD2 4.48Å; W543-L608 HydrophobicContact CZ3-CB 3.9Å; W543-L608 HydrophobicContact CZ3-CD2 4.48Å; I557-L608 HydrophobicContact CD1-CD1 3.97Å; L608-L615 HydrophobicContact CB-CD1 4.28Å; L608-L615 HydrophobicContact CD1-CD1 4.47Å; L608-F633 HydrophobicContact CD1-CE1 4.24Å; L608-F633 HydrophobicContact CD1-CE2 3.82Å; L608-F633 HydrophobicContact CD1-CZ 3.42Å; L608-F633 VanDerWaalsContact CD1-CZ 3.42Å; L608-V637 HydrophobicContact CD1-CG2 4.32Å; L608-V637 HydrophobicContact CD2-CG2 3.55Å
609D94.6Very high93.4Very high10 Ų1040.4 Ų40.45%0.05320%0.2CC..EExtended strand (participates in β ladder)trans-107.392.8166.2-169.2-26.4000107.4R540 D611 N612 G613 S614R540-D609 VanDerWaalsContact CD-OD2 3.31Å; R540-D609 WeakPolarHBondContact CD-OD2 3.34Å; R540-D609 HydrophobicContact CG-CB 4.03Å; R540-D609 VanDerWaalsContact CG-CG 3.47Å; R540-D609 IonicContact NE-OD2 3.47Å; R540-D609 PolarHBondContact NE-OD2 3.2Å; R540-D609 VanDerWaalsContact NE-OD2 3.15Å; D609-D611 VanDerWaalsContact C-N 3.33Å; D609-D611 PolarHBondContact OD1-N 3.25Å; D609-N612 WeakPolarHBondContact OD1-CB 3.38Å; D609-N612 PolarHBondContact OD1-N 2.96Å; D609-N612 PolarHBondContact OD2-ND2 3.21Å; D609-G613 WeakPolarHBondContact O-CA 3.49Å; D609-G613 PolarHBondContact O-N 2.72Å; D609-S614 WeakPolarHBondContact CB-OG 3.23Å; D609-S614 PolarHBondContact N-O 3.5Å; D609-S614 PolarHBondContact O-N 3.48Å
610Y93.6Very high94.1Very high36 Ų3635.7 Ų35.714%0.14117%0.171CC..THydrogen-bonded Turntrans-68.5-38.6-176.4-168.6-80.6000110.7D537 G539 G613 F633 Q635 V637D537-Y610 VanDerWaalsContact O-CD1 3.23Å; D537-Y610 WeakPolarHBondContact O-CD1 3.26Å; D537-Y610 WeakPolarHBondContact O-CE1 3.41Å; G539-Y610 WeakPolarHBondContact O-CB 3.44Å; G539-Y610 PolarHBondContact O-N 3.39Å; Y610-G613 PolarHBondContact O-N 3.37Å; Y610-F633 HydrophobicContact CD2-CB 4.21Å; Y610-F633 HydrophobicContact CD2-CD1 4.44Å; Y610-F633 AromaticContact CD2-CD2 3.87Å; Y610-F633 HydrophobicContact CD2-CD2 3.87Å; Y610-F633 HydrophobicContact CD2-CE2 4.36Å; Y610-F633 AromaticContact CD2-CG 3.92Å; Y610-F633 HydrophobicContact CD2-CG 3.92Å; Y610-F633 HydrophobicContact CE1-CB 4.16Å; Y610-F633 HydrophobicContact CE2-CB 3.64Å; Y610-F633 HydrophobicContact CE2-CD1 4.26Å; Y610-F633 HydrophobicContact CE2-CD2 4.18Å; Y610-F633 AromaticContact CE2-CG 3.78Å; Y610-F633 HydrophobicContact CE2-CG 3.78Å; Y610-F633 HydrophobicContact CG-CD2 4.09Å; Y610-Q635 PolarHBondContact OH-O 2.96Å; Y610-V637 HydrophobicContact CD2-CG2 4.09Å; Y610-V637 HydrophobicContact CE2-CG2 4.28Å
611D89.8Confident94.6Very high96 Ų9633 Ų3351%0.51316%0.161SC..THydrogen-bonded Turntrans-68.2-41.1-175.1-61.3-24.1000111.9G539 D609G539-D611 VanDerWaalsContact CA-OD2 3.23Å; G539-D611 WeakPolarHBondContact CA-OD2 3.38Å; G539-D611 VanDerWaalsContact N-CG 3.27Å; G539-D611 PolarHBondContact N-OD1 3.28Å; G539-D611 PolarHBondContact N-OD2 3.27Å; G539-D611 VanDerWaalsContact N-OD2 3.16Å; D609-D611 VanDerWaalsContact C-N 3.33Å; D609-D611 PolarHBondContact OD1-N 3.25Å
612N90.2Very high94.6Very high114 Ų11437.5 Ų37.561%0.6119%0.185SC*.THydrogen-bonded Turntrans-91.2-1.9175.9-64-41.1000113.7D609D609-N612 WeakPolarHBondContact OD1-CB 3.38Å; D609-N612 PolarHBondContact OD1-N 2.96Å; D609-N612 PolarHBondContact OD2-ND2 3.21Å
613G94.4Very high94.3Very high12 Ų1232.2 Ų32.212%0.12417%0.174CC..THydrogen-bonded Turntrans69.648.217700000113.8D609 Y610 I631D609-G613 WeakPolarHBondContact O-CA 3.49Å; D609-G613 PolarHBondContact O-N 2.72Å; Y610-G613 PolarHBondContact O-N 3.37Å; G613-I631 CarbonylContact C-O 3.47Å; G613-I631 WeakPolarHBondContact CA-O 3.49Å; G613-I631 PolarHBondContact O-N 3.08Å; G613-I631 VanDerWaalsContact O-O 3.04Å
614S96.1Very high94.1Very high24 Ų2433.2 Ų33.217%0.16818%0.184CC..EExtended strand (participates in β ladder)trans-133.8151.1176.176.90000114D609 F629D609-S614 WeakPolarHBondContact CB-OG 3.23Å; D609-S614 PolarHBondContact N-O 3.5Å; D609-S614 PolarHBondContact O-N 3.48Å; S614-F629 CarbonylContact C-O 3.58Å; S614-F629 VanDerWaalsContact CA-O 3.28Å; S614-F629 WeakPolarHBondContact CA-O 3.25Å
615L97.9Very high93.9Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-133110.8172.617671.6000109.7I557 W575 I606 L607 L608 F617 T628 F629 I631I557-L615 HydrophobicContact CD1-CB 4.36Å; I557-L615 HydrophobicContact CD1-CD1 4.08Å; I557-L615 HydrophobicContact CD1-CD2 3.7Å; I557-L615 HydrophobicContact CD1-CG 4.26Å; I557-L615 HydrophobicContact CG1-CD2 3.7Å; I557-L615 HydrophobicContact CG2-CD1 4.08Å; W575-L615 HydrophobicContact CB-CD2 3.72Å; I606-L615 HydrophobicContact CG2-CD1 3.5Å; L607-L615 WeakPolarHBondContact O-CA 3.26Å; L608-L615 HydrophobicContact CB-CD1 4.28Å; L608-L615 HydrophobicContact CD1-CD1 4.47Å; L615-F617 HydrophobicContact CD2-CE2 3.82Å; L615-F617 HydrophobicContact CD2-CZ 3.77Å; L615-F617 HydrophobicContact CG-CE2 3.94Å; L615-F617 HydrophobicContact CG-CZ 4.12Å; L615-T628 CarbonylContact O-C 3.56Å; L615-T628 WeakPolarHBondContact O-CA 3.47Å; L615-F629 HydrophobicContact CB-CB 4.36Å; L615-F629 HydrophobicContact CD2-CD2 4.14Å; L615-F629 PolarHBondContact N-O 2.83Å; L615-F629 PolarHBondContact O-N 3.32Å; L615-I631 HydrophobicContact CB-CD1 3.75Å; L615-I631 HydrophobicContact CD2-CD1 4.4Å
616A97.4Very high93.9Very high3 Ų339.3 Ų39.33%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-111.2144.6-177.900000112.6I606 L607 Y618 Y627 T628I606-A616 WeakPolarHBondContact CA-O 3.21Å; L607-A616 HydrophobicContact CB-CB 4.4Å; L607-A616 PolarHBondContact N-O 3.4Å; L607-A616 PolarHBondContact O-N 3.15Å; A616-Y618 HydrophobicContact CB-CD2 4.42Å; A616-Y618 HydrophobicContact CB-CE2 3.45Å; A616-Y618 VanDerWaalsContact CB-CE2 3.45Å; A616-Y618 WeakPolarHBondContact CB-OH 3.42Å; A616-Y627 CarbonylContact C-O 3.53Å; A616-Y627 WeakPolarHBondContact CA-O 3.5Å; A616-T628 HydrophobicContact CB-CG2 4.22Å; A616-T628 WeakPolarHBondContact CB-OG1 3.26Å
617F97.6Very high93.8Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-116.1138177-63.1-89.5000110L577 V604 G605 I606 L615 L626 Y627 F629L577-F617 HydrophobicContact CB-CD1 3.7Å; L577-F617 HydrophobicContact CB-CD2 4.45Å; L577-F617 HydrophobicContact CB-CE1 3.72Å; L577-F617 HydrophobicContact CB-CE2 4.47Å; L577-F617 HydrophobicContact CB-CG 4.08Å; L577-F617 HydrophobicContact CB-CZ 4.12Å; L577-F617 HydrophobicContact CD1-CB 3.83Å; L577-F617 HydrophobicContact CD1-CD1 4.04Å; L577-F617 HydrophobicContact CD1-CG 3.96Å; V604-F617 HydrophobicContact CG1-CD1 4.1Å; G605-F617 CarbonylContact O-C 3.19Å; G605-F617 WeakPolarHBondContact O-CA 3.42Å; I606-F617 HydrophobicContact CG1-CD1 3.86Å; I606-F617 HydrophobicContact CG1-CE1 3.85Å; I606-F617 HydrophobicContact CG2-CE1 4.34Å; L615-F617 HydrophobicContact CD2-CE2 3.82Å; L615-F617 HydrophobicContact CD2-CZ 3.77Å; L615-F617 HydrophobicContact CG-CE2 3.94Å; L615-F617 HydrophobicContact CG-CZ 4.12Å; F617-L626 HydrophobicContact CB-CB 4.23Å; F617-L626 HydrophobicContact CB-CD1 4.5Å; F617-L626 WeakPolarHBondContact O-CB 3.4Å; F617-L626 PolarHBondContact O-N 2.82Å; F617-Y627 PolarHBondContact N-O 2.87Å; F617-Y627 PolarHBondContact O-N 2.76Å; F617-F629 AromaticContact CE2-CD2 3.85Å; F617-F629 HydrophobicContact CE2-CD2 3.85Å; F617-F629 AromaticContact CE2-CE2 3.74Å; F617-F629 HydrophobicContact CE2-CE2 3.74Å
618Y95.5Very high93.8Very high31 Ų3143.7 Ų43.712%0.12223%0.234CC..EExtended strand (participates in β ladder)trans-133.6150.9-177.5-59.2-92.5000111.5V604 G605 L607 A616 A620 L624 H625 L660V604-Y618 CarbonylContact C-O 3.56Å; V604-Y618 VanDerWaalsContact CA-O 3.32Å; V604-Y618 WeakPolarHBondContact CA-O 3.31Å; G605-Y618 PolarHBondContact N-O 3.48Å; G605-Y618 PolarHBondContact O-N 3.25Å; L607-Y618 HydrophobicContact CB-CD2 4.49Å; L607-Y618 HydrophobicContact CB-CE2 3.84Å; L607-Y618 HydrophobicContact CD2-CE2 4.24Å; A616-Y618 HydrophobicContact CB-CD2 4.42Å; A616-Y618 HydrophobicContact CB-CE2 3.45Å; A616-Y618 VanDerWaalsContact CB-CE2 3.45Å; A616-Y618 WeakPolarHBondContact CB-OH 3.42Å; Y618-A620 PolarHBondContact O-N 2.92Å; Y618-L624 CarbonylContact C-O 3.59Å; Y618-L624 VanDerWaalsContact CA-O 3.23Å; Y618-L624 WeakPolarHBondContact CA-O 3.32Å; Y618-H625 HydrophobicContact CD1-CB 4.07Å; Y618-H625 HydrophobicContact CE1-CB 3.93Å; Y618-H625 AromaticContact CE1-CD2 3.69Å; Y618-H625 AromaticContact CZ-CD2 3.98Å; Y618-L660 HydrophobicContact CD1-CD2 3.8Å; Y618-L660 HydrophobicContact CD2-CD1 4.09Å; Y618-L660 HydrophobicContact CE1-CD2 3.42Å; Y618-L660 VanDerWaalsContact CE1-CD2 3.42Å; Y618-L660 HydrophobicContact CE2-CD1 4.09Å; Y618-L660 HydrophobicContact CE2-CD2 4.3Å; Y618-L660 HydrophobicContact CG-CD1 4.33Å; Y618-L660 HydrophobicContact CG-CD2 4.4Å
619D94.1Very high93.9Very high1 Ų144.5 Ų44.51%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-72.3103.3153.9-175.4-19000108.2L601 L621 N622 S623 L624L601-D619 HydrophobicContact CD1-CB 3.51Å; L601-D619 WeakPolarHBondContact CD1-OD2 3.31Å; D619-L621 PolarHBondContact O-N 3.3Å; D619-L621 PolarHBondContact OD1-N 3.48Å; D619-L621 VanDerWaalsContact OD1-N 3.11Å; D619-N622 HydrophobicContact CB-CB 4.47Å; D619-N622 PolarHBondContact O-N 3.31Å; D619-N622 PolarHBondContact OD1-N 3.18Å; D619-N622 PolarHBondContact OD2-ND2 3.29Å; D619-S623 WeakPolarHBondContact O-CA 3.01Å; D619-S623 PolarHBondContact O-N 2.9Å; D619-L624 HydrophobicContact CB-CB 4.12Å; D619-L624 PolarHBondContact N-O 2.84Å; D619-L624 PolarHBondContact O-N 3.46Å
620A92.4Very high94Very high18 Ų1851 Ų5115%0.14927%0.272CS..THydrogen-bonded Turntrans-66-23.1-173.400000113.5E544 R603 Y618E544-A620 HydrophobicContact CG-CB 4.05Å; R603-A620 HydrophobicContact CB-CB 4.13Å; R603-A620 HydrophobicContact CG-CB 3.9Å; R603-A620 PolarHBondContact O-N 3.11Å; Y618-A620 PolarHBondContact O-N 2.92Å
621L90.8Very high94.1Very high95 Ų9549.8 Ų49.850%0.49727%0.268SS..THydrogen-bonded Turntrans-84.6-32.8-179.2-65.1177.7000112.3R602 R603 D619R602-L621 HydrophobicContact CB-CD1 4.11Å; R603-L621 HydrophobicContact CB-CD1 4.44Å; R603-L621 HydrophobicContact CB-CG 4.09Å; D619-L621 PolarHBondContact O-N 3.3Å; D619-L621 PolarHBondContact OD1-N 3.48Å; D619-L621 VanDerWaalsContact OD1-N 3.11Å
622N89Confident94.3Very high98 Ų9851.9 Ų51.952%0.52429%0.285SS..THydrogen-bonded Turntrans-105.2-0.3-177-61.1-60.9000112.9D619 L624D619-N622 HydrophobicContact CB-CB 4.47Å; D619-N622 PolarHBondContact O-N 3.31Å; D619-N622 PolarHBondContact OD1-N 3.18Å; D619-N622 PolarHBondContact OD2-ND2 3.29Å; N622-L624 HydrophobicContact CB-CD1 3.89Å; N622-L624 HydrophobicContact CB-CG 3.88Å; N622-L624 PolarHBondContact O-N 3Å
623S86.2Confident94.5Very high56 Ų5647.8 Ų47.839%0.39226%0.262SS..THydrogen-bonded Turntrans5430.9-174.9-67.20000113.5D619 H659D619-S623 WeakPolarHBondContact O-CA 3.01Å; D619-S623 PolarHBondContact O-N 2.9Å; S623-H659 VanDerWaalsContact CB-NE2 3.3Å; S623-H659 WeakPolarHBondContact CB-NE2 3.48Å; S623-H659 PolarHBondContact OG-CE1 2.73Å; S623-H659 PolarHBondContact OG-NE2 3.17Å
624L91.1Very high94.4Very high96 Ų9650.3 Ų50.350%0.50329%0.288SS..EExtended strand (participates in β ladder)trans-92.3126.4-178.8-65.6172.9000110.2Y618 D619 N622Y618-L624 CarbonylContact C-O 3.59Å; Y618-L624 VanDerWaalsContact CA-O 3.23Å; Y618-L624 WeakPolarHBondContact CA-O 3.32Å; D619-L624 HydrophobicContact CB-CB 4.12Å; D619-L624 PolarHBondContact N-O 2.84Å; D619-L624 PolarHBondContact O-N 3.46Å; N622-L624 HydrophobicContact CB-CD1 3.89Å; N622-L624 HydrophobicContact CB-CG 3.88Å; N622-L624 PolarHBondContact O-N 3Å
625H94.4Very high94.3Very high102 Ų10253.3 Ų53.347%0.47230%0.299SS..EExtended strand (participates in β ladder)trans-65134.3171.1178.2-106.3000110.7Y618 Y627 T628Y618-H625 HydrophobicContact CD1-CB 4.07Å; Y618-H625 HydrophobicContact CE1-CB 3.93Å; Y618-H625 AromaticContact CE1-CD2 3.69Å; Y618-H625 AromaticContact CZ-CD2 3.98Å; H625-Y627 PolarHBondContact NE2-O 3.49Å; H625-T628 PolarHBondContact NE2-N 2.89Å; H625-T628 PolarHBondContact NE2-OG1 2.87Å
626L95.2Very high94.2Very high27 Ų2755.9 Ų55.914%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-104.7-49.4177-58.1176.6000110.9L577 I595 P597 L601 F617L577-L626 HydrophobicContact CD1-CD1 3.87Å; I595-L626 HydrophobicContact CD1-CB 4.41Å; P597-L626 HydrophobicContact CB-CD2 3.96Å; P597-L626 HydrophobicContact CG-CD2 4.27Å; L601-L626 HydrophobicContact CD2-CD1 4.1Å; F617-L626 HydrophobicContact CB-CB 4.23Å; F617-L626 HydrophobicContact CB-CD1 4.5Å; F617-L626 WeakPolarHBondContact O-CB 3.4Å; F617-L626 PolarHBondContact O-N 2.82Å
627Y96.9Very high94.2Very high57 Ų5755.8 Ų55.822%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-169.6152-178-168.5-100.6000112V586 I593 I595 A616 F617 H625 F629V586-Y627 HydrophobicContact CB-CD1 3.93Å; V586-Y627 HydrophobicContact CB-CE1 4.27Å; V586-Y627 HydrophobicContact CB-CG 4.22Å; V586-Y627 HydrophobicContact CG1-CD1 3.81Å; V586-Y627 HydrophobicContact CG1-CG 3.8Å; V586-Y627 HydrophobicContact CG2-CD1 3.6Å; V586-Y627 HydrophobicContact CG2-CD2 3.88Å; V586-Y627 HydrophobicContact CG2-CE1 3.64Å; V586-Y627 HydrophobicContact CG2-CE2 3.93Å; V586-Y627 HydrophobicContact CG2-CG 3.72Å; I593-Y627 HydrophobicContact CD1-CE2 4.31Å; I593-Y627 WeakPolarHBondContact CD1-OH 3.34Å; I593-Y627 HydrophobicContact CG2-CE2 4.37Å; I595-Y627 HydrophobicContact CG2-CD2 4.35Å; A616-Y627 CarbonylContact C-O 3.53Å; A616-Y627 WeakPolarHBondContact CA-O 3.5Å; F617-Y627 PolarHBondContact N-O 2.87Å; F617-Y627 PolarHBondContact O-N 2.76Å; H625-Y627 PolarHBondContact NE2-O 3.49Å; Y627-F629 HydrophobicContact CD1-CD1 4.49Å; Y627-F629 HydrophobicContact CD1-CD2 4.02Å; Y627-F629 HydrophobicContact CD1-CE1 4.46Å; Y627-F629 HydrophobicContact CD1-CE2 4Å; Y627-F629 HydrophobicContact CD1-CG 4.29Å; Y627-F629 HydrophobicContact CD1-CZ 4.24Å; Y627-F629 AromaticContact CE1-CD1 3.66Å; Y627-F629 HydrophobicContact CE1-CD1 3.66Å; Y627-F629 AromaticContact CE1-CD2 3.99Å; Y627-F629 HydrophobicContact CE1-CD2 3.99Å; Y627-F629 AromaticContact CE1-CE1 3.69Å; Y627-F629 HydrophobicContact CE1-CE1 3.69Å; Y627-F629 HydrophobicContact CE1-CE2 4.03Å; Y627-F629 AromaticContact CE1-CG 3.82Å; Y627-F629 HydrophobicContact CE1-CG 3.82Å; Y627-F629 AromaticContact CE1-CZ 3.9Å; Y627-F629 HydrophobicContact CE1-CZ 3.9Å
628T97.4Very high94.1Very high42 Ų4255.8 Ų55.826%0.25832%0.315SS..EExtended strand (participates in β ladder)trans-127133.4170.1-600000110.4L615 A616 H625L615-T628 CarbonylContact O-C 3.56Å; L615-T628 WeakPolarHBondContact O-CA 3.47Å; A616-T628 HydrophobicContact CB-CG2 4.22Å; A616-T628 WeakPolarHBondContact CB-OG1 3.26Å; H625-T628 PolarHBondContact NE2-N 2.89Å; H625-T628 PolarHBondContact NE2-OG1 2.87Å
629F97.7Very high94.2Very high17 Ų1754.4 Ų54.48%0.07531%0.309CS..EExtended strand (participates in β ladder)trans-94.1134163.1-68.2-80.5000109.9W575 V586 H588 S614 L615 F617 Y627 I631W575-F629 HydrophobicContact CB-CD2 4.11Å; W575-F629 HydrophobicContact CB-CE2 4.14Å; W575-F629 HydrophobicContact CB-CG 4.47Å; W575-F629 AromaticContact CD1-CD1 3.74Å; W575-F629 AromaticContact CD1-CG 3.83Å; V586-F629 HydrophobicContact CB-CE2 4.09Å; V586-F629 HydrophobicContact CB-CZ 3.73Å; V586-F629 HydrophobicContact CG2-CZ 4.19Å; H588-F629 HydrophobicContact CB-CE1 3.83Å; H588-F629 HydrophobicContact CB-CZ 4.31Å; S614-F629 CarbonylContact C-O 3.58Å; S614-F629 VanDerWaalsContact CA-O 3.28Å; S614-F629 WeakPolarHBondContact CA-O 3.25Å; L615-F629 HydrophobicContact CB-CB 4.36Å; L615-F629 HydrophobicContact CD2-CD2 4.14Å; L615-F629 PolarHBondContact N-O 2.83Å; L615-F629 PolarHBondContact O-N 3.32Å; F617-F629 AromaticContact CE2-CD2 3.85Å; F617-F629 HydrophobicContact CE2-CD2 3.85Å; F617-F629 AromaticContact CE2-CE2 3.74Å; F617-F629 HydrophobicContact CE2-CE2 3.74Å; Y627-F629 HydrophobicContact CD1-CD1 4.49Å; Y627-F629 HydrophobicContact CD1-CD2 4.02Å; Y627-F629 HydrophobicContact CD1-CE1 4.46Å; Y627-F629 HydrophobicContact CD1-CE2 4Å; Y627-F629 HydrophobicContact CD1-CG 4.29Å; Y627-F629 HydrophobicContact CD1-CZ 4.24Å; Y627-F629 AromaticContact CE1-CD1 3.66Å; Y627-F629 HydrophobicContact CE1-CD1 3.66Å; Y627-F629 AromaticContact CE1-CD2 3.99Å; Y627-F629 HydrophobicContact CE1-CD2 3.99Å; Y627-F629 AromaticContact CE1-CE1 3.69Å; Y627-F629 HydrophobicContact CE1-CE1 3.69Å; Y627-F629 HydrophobicContact CE1-CE2 4.03Å; Y627-F629 AromaticContact CE1-CG 3.82Å; Y627-F629 HydrophobicContact CE1-CG 3.82Å; Y627-F629 AromaticContact CE1-CZ 3.9Å; Y627-F629 HydrophobicContact CE1-CZ 3.9Å; F629-I631 HydrophobicContact CB-CD1 3.85Å; F629-I631 HydrophobicContact CB-CG1 3.77Å
630D96.8Very high94.3Very high145 Ų14554.3 Ų54.378%0.77531%0.309SS*.EExtended strand (participates in β ladder)trans-91.5124.2163.3-55.3-62.1000108.8
631I94.9Very high94.4Very high11 Ų1153.5 Ų53.56%0.05630%0.302CS..  trans-136.4124.1-167.5-51173.1000109.8I557 W575 G613 L615 F629 F633I557-I631 HydrophobicContact CD1-CD1 4.3Å; W575-I631 HydrophobicContact CB-CD1 4.33Å; W575-I631 HydrophobicContact CD2-CD1 3.76Å; W575-I631 HydrophobicContact CD2-CG1 4.47Å; W575-I631 HydrophobicContact CE3-CD1 4.42Å; W575-I631 HydrophobicContact CG-CD1 3.69Å; W575-I631 HydrophobicContact CG-CG1 4.47Å; W575-I631 HydrophobicContact CH2-CG2 4.07Å; W575-I631 HydrophobicContact CZ2-CG2 3.62Å; G613-I631 CarbonylContact C-O 3.47Å; G613-I631 WeakPolarHBondContact CA-O 3.49Å; G613-I631 PolarHBondContact O-N 3.08Å; G613-I631 VanDerWaalsContact O-O 3.04Å; L615-I631 HydrophobicContact CB-CD1 3.75Å; L615-I631 HydrophobicContact CD2-CD1 4.4Å; F629-I631 HydrophobicContact CB-CD1 3.85Å; F629-I631 HydrophobicContact CB-CG1 3.77Å; I631-F633 HydrophobicContact CB-CD1 4.31Å; I631-F633 HydrophobicContact CB-CE1 3.87Å; I631-F633 HydrophobicContact CB-CE2 4.16Å; I631-F633 HydrophobicContact CB-CZ 3.8Å; I631-F633 HydrophobicContact CD1-CE1 3.78Å; I631-F633 HydrophobicContact CD1-CZ 3.7Å; I631-F633 HydrophobicContact CG1-CE1 4.43Å; I631-F633 HydrophobicContact CG1-CZ 4.29Å; I631-F633 HydrophobicContact CG2-CD1 3.58Å; I631-F633 HydrophobicContact CG2-CE1 3.47Å; I631-F633 VanDerWaalsContact CG2-CE1 3.47Å; I631-F633 HydrophobicContact CG2-CE2 4.45Å; I631-F633 HydrophobicContact CG2-CG 4.12Å; I631-F633 HydrophobicContact CG2-CZ 3.95Å; I631-F633 PolarHBondContact O-N 2.73Å
632T94.4Very high94.6Very high140 Ų14049 Ų4986%0.85928%0.278SS*.  trans-84.496.1164.2-48.10000108.9G634T632-G634 PolarHBondContact O-N 2.88Å
633F93.9Very high94.8Very high29 Ų2944.3 Ų44.313%0.12725%0.254CS..  trans-68.2125-179.5-64.8-66.4000111.3I557 Y559 L608 Y610 I631 V637I557-F633 HydrophobicContact CD1-CE1 3.7Å; I557-F633 HydrophobicContact CD1-CZ 3.99Å; Y559-F633 HydrophobicContact CE1-CD1 4.2Å; Y559-F633 WeakPolarHBondContact OH-CA 3.43Å; L608-F633 HydrophobicContact CD1-CE1 4.24Å; L608-F633 HydrophobicContact CD1-CE2 3.82Å; L608-F633 HydrophobicContact CD1-CZ 3.42Å; L608-F633 VanDerWaalsContact CD1-CZ 3.42Å; Y610-F633 HydrophobicContact CD2-CB 4.21Å; Y610-F633 HydrophobicContact CD2-CD1 4.44Å; Y610-F633 AromaticContact CD2-CD2 3.87Å; Y610-F633 HydrophobicContact CD2-CD2 3.87Å; Y610-F633 HydrophobicContact CD2-CE2 4.36Å; Y610-F633 AromaticContact CD2-CG 3.92Å; Y610-F633 HydrophobicContact CD2-CG 3.92Å; Y610-F633 HydrophobicContact CE1-CB 4.16Å; Y610-F633 HydrophobicContact CE2-CB 3.64Å; Y610-F633 HydrophobicContact CE2-CD1 4.26Å; Y610-F633 HydrophobicContact CE2-CD2 4.18Å; Y610-F633 AromaticContact CE2-CG 3.78Å; Y610-F633 HydrophobicContact CE2-CG 3.78Å; Y610-F633 HydrophobicContact CG-CD2 4.09Å; I631-F633 HydrophobicContact CB-CD1 4.31Å; I631-F633 HydrophobicContact CB-CE1 3.87Å; I631-F633 HydrophobicContact CB-CE2 4.16Å; I631-F633 HydrophobicContact CB-CZ 3.8Å; I631-F633 HydrophobicContact CD1-CE1 3.78Å; I631-F633 HydrophobicContact CD1-CZ 3.7Å; I631-F633 HydrophobicContact CG1-CE1 4.43Å; I631-F633 HydrophobicContact CG1-CZ 4.29Å; I631-F633 HydrophobicContact CG2-CD1 3.58Å; I631-F633 HydrophobicContact CG2-CE1 3.47Å; I631-F633 VanDerWaalsContact CG2-CE1 3.47Å; I631-F633 HydrophobicContact CG2-CE2 4.45Å; I631-F633 HydrophobicContact CG2-CG 4.12Å; I631-F633 HydrophobicContact CG2-CZ 3.95Å; I631-F633 PolarHBondContact O-N 2.73Å; F633-V637 HydrophobicContact CD1-CG1 3.78Å; F633-V637 HydrophobicContact CE1-CG1 3.85Å
634G91.8Very high95Very high65 Ų6542.8 Ų42.867%0.6724%0.239SC*.  trans-110.5-8.2176.700000114.2Y559 T632Y559-G634 PolarHBondContact OH-N 2.82Å; Y559-G634 VanDerWaalsContact OH-N 3.12Å; T632-G634 PolarHBondContact O-N 2.88Å
635Q94.7Very high95Very high86 Ų8640.4 Ų40.440%0.40223%0.227SC..SBendtrans-150.1156.7-177.9-63.3-179.77.500109.6Y559 S561 Y610 V637Y559-Q635 HydrophobicContact CD1-CB 3.69Å; Y559-Q635 WeakPolarHBondContact CD1-O 3.47Å; Y559-Q635 HydrophobicContact CE1-CB 3.97Å; Y559-Q635 WeakPolarHBondContact CE1-O 3.34Å; Y559-Q635 HydrophobicContact CG-CB 4.09Å; S561-Q635 PolarHBondContact OG-OE1 2.96Å; Y610-Q635 PolarHBondContact OH-O 2.96Å; Q635-V637 PolarHBondContact O-N 3.23Å
636P95.8Very high94.8Very high55 Ų5541.9 Ų41.936%0.35723%0.232SC..  trans-56138.5169.9-24.533.8000112.1F535 I536 D537F535-P636 HydrophobicContact CB-CB 3.93Å; F535-P636 HydrophobicContact CD1-CB 4.47Å; I536-P636 CarbonylContact O-C 3.58Å; I536-P636 VanDerWaalsContact O-CA 3.28Å; I536-P636 WeakPolarHBondContact O-CA 3.37Å; D537-P636 HydrophobicContact CB-CB 3.99Å; D537-P636 HydrophobicContact CB-CG 3.86Å
637V96.8Very high94.8Very high0 Ų041.9 Ų41.90%023%0.234CC..EExtended strand (participates in β ladder)trans-106.6148.6-179.6-68.20000110.7F535 I536 I557 S558 Y559 L608 Y610 F633 Q635F535-V637 CarbonylContact C-O 3.58Å; F535-V637 WeakPolarHBondContact CA-O 3.32Å; I536-V637 HydrophobicContact CB-CG2 4.33Å; I536-V637 PolarHBondContact N-O 3.1Å; I536-V637 PolarHBondContact O-N 3.49Å; I557-V637 HydrophobicContact CB-CB 4.3Å; I557-V637 HydrophobicContact CD1-CB 4.24Å; I557-V637 HydrophobicContact CD1-CG1 4.12Å; I557-V637 HydrophobicContact CD1-CG2 4.26Å; S558-V637 WeakPolarHBondContact O-CA 3.49Å; Y559-V637 HydrophobicContact CD1-CG1 3.5Å; Y559-V637 VanDerWaalsContact CD1-CG1 3.5Å; Y559-V637 HydrophobicContact CE1-CG1 3.47Å; Y559-V637 VanDerWaalsContact CE1-CG1 3.47Å; L608-V637 HydrophobicContact CD1-CG2 4.32Å; L608-V637 HydrophobicContact CD2-CG2 3.55Å; Y610-V637 HydrophobicContact CD2-CG2 4.09Å; Y610-V637 HydrophobicContact CE2-CG2 4.28Å; F633-V637 HydrophobicContact CD1-CG1 3.78Å; F633-V637 HydrophobicContact CE1-CG1 3.85Å; Q635-V637 PolarHBondContact O-N 3.23Å
638C96Very high94.8Very high1 Ų139.1 Ų39.11%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-122.3148.2169.465.90000110.9V534 F535 I557 S558 T640V534-C638 WeakPolarHBondContact O-CB 3.33Å; F535-C638 HydrophobicContact CD1-CB 3.79Å; F535-C638 HydrophobicContact CE1-CB 3.76Å; F535-C638 HydrophobicContact CG-CB 4.37Å; F535-C638 HydrophobicContact CZ-CB 4.33Å; I557-C638 CarbonylContact C-O 3.59Å; I557-C638 VanDerWaalsContact CA-O 3.3Å; I557-C638 WeakPolarHBondContact CA-O 3.24Å; S558-C638 PolarHBondContact N-O 2.84Å; S558-C638 PolarHBondContact O-N 2.97Å; C638-T640 PolarHBondContact O-N 3.26Å
639P97.4Very high94.7Very high1 Ų139 Ų391%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-56.2137.2168.5-24.935.1000110.9F486 A531 G532 W543 G556 F641F486-P639 HydrophobicContact CD1-CG 3.89Å; F486-P639 HydrophobicContact CD2-CB 4.24Å; F486-P639 HydrophobicContact CD2-CG 4.03Å; F486-P639 HydrophobicContact CE1-CB 4.15Å; F486-P639 HydrophobicContact CE1-CG 3.54Å; F486-P639 HydrophobicContact CE2-CB 3.57Å; F486-P639 HydrophobicContact CE2-CG 3.71Å; F486-P639 HydrophobicContact CG-CG 4.12Å; F486-P639 HydrophobicContact CZ-CB 3.52Å; F486-P639 HydrophobicContact CZ-CG 3.45Å; F486-P639 VanDerWaalsContact CZ-CG 3.45Å; A531-P639 CarbonylContact C-O 3.53Å; G532-P639 PolarHBondContact N-O 2.94Å; W543-P639 HydrophobicContact CH2-CG 4.24Å; W543-P639 HydrophobicContact CZ2-CB 4.05Å; W543-P639 HydrophobicContact CZ2-CG 4.01Å; G556-P639 WeakPolarHBondContact O-CA 3.33Å; P639-F641 HydrophobicContact CB-CE2 3.78Å; P639-F641 HydrophobicContact CB-CZ 3.75Å
640T96.1Very high94.7Very high0 Ų038.4 Ų38.40%022%0.22CC..EExtended strand (participates in β ladder)trans-139.4140.7-175.1-158.90000111G556 S558 I568 V576 C638G556-T640 PolarHBondContact N-O 3.38Å; G556-T640 PolarHBondContact O-N 3.46Å; S558-T640 WeakPolarHBondContact OG-CB 3Å; S558-T640 PolarHBondContact OG-OG1 3.04Å; I568-T640 HydrophobicContact CD1-CG2 4.12Å; I568-T640 HydrophobicContact CG2-CG2 4.42Å; V576-T640 HydrophobicContact CG1-CG2 4.15Å; C638-T640 PolarHBondContact O-N 3.26Å
641F96.1Very high94.7Very high0 Ų034 Ų340%020%0.196CC..EExtended strand (participates in β ladder)trans-139.7142.9-170.5-47.9-88.1000110.4F486 L488 G529 V530 V545 A554 I555 P639 I650F486-F641 HydrophobicContact CE2-CE2 4.03Å; F486-F641 AromaticContact CE2-CZ 3.96Å; F486-F641 HydrophobicContact CE2-CZ 3.96Å; F486-F641 HydrophobicContact CZ-CZ 4.1Å; L488-F641 HydrophobicContact CD2-CD2 3.52Å; L488-F641 HydrophobicContact CD2-CE2 3.66Å; L488-F641 HydrophobicContact CD2-CG 4.38Å; G529-F641 CarbonylContact C-O 3.55Å; G529-F641 WeakPolarHBondContact CA-O 3.49Å; V530-F641 HydrophobicContact CG1-CB 3.99Å; V530-F641 HydrophobicContact CG1-CD2 4.46Å; V530-F641 PolarHBondContact N-O 3.5Å; V530-F641 PolarHBondContact O-N 3.41Å; V545-F641 HydrophobicContact CG2-CD1 4.42Å; V545-F641 HydrophobicContact CG2-CE1 3.74Å; A554-F641 CarbonylContact O-C 3.5Å; A554-F641 WeakPolarHBondContact O-CA 3.47Å; I555-F641 HydrophobicContact CB-CD1 4.17Å; I555-F641 HydrophobicContact CG2-CD1 3.8Å; P639-F641 HydrophobicContact CB-CE2 3.78Å; P639-F641 HydrophobicContact CB-CZ 3.75Å; F641-I650 HydrophobicContact CD1-CG2 4.43Å; F641-I650 HydrophobicContact CE1-CG2 3.79Å; F641-I650 HydrophobicContact CE2-CG2 4.26Å; F641-I650 HydrophobicContact CZ-CG2 3.69Å
642T94.4Very high94.7Very high0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-127.9139.5164.6520000110.4S527 Y528 Y553 A554 I568S527-T642 WeakPolarHBondContact OG-CG2 3.37Å; Y528-T642 WeakPolarHBondContact O-CA 3.28Å; Y528-T642 WeakPolarHBondContact O-CB 3.18Å; Y553-T642 WeakPolarHBondContact CA-O 3.31Å; Y553-T642 WeakPolarHBondContact CB-O 3.42Å; A554-T642 VanDerWaalsContact CB-OG1 3.25Å; A554-T642 WeakPolarHBondContact CB-OG1 3.19Å; A554-T642 PolarHBondContact N-O 2.91Å; A554-T642 PolarHBondContact N-OG1 3.49Å; A554-T642 VanDerWaalsContact N-OG1 3.07Å; A554-T642 PolarHBondContact O-N 3.18Å; A554-T642 PolarHBondContact O-OG1 3.39Å; I568-T642 HydrophobicContact CD1-CG2 3.45Å; I568-T642 VanDerWaalsContact CD1-CG2 3.45Å; I568-T642 HydrophobicContact CG1-CG2 3.69Å
643V93.4Very high94.5Very high0 Ų029.4 Ų29.40%017%0.173CC..EExtended strand (participates in β ladder)trans-135.5119.8-178.2-174.80000110.2L497 V506 Y528 N645 L648L497-V643 HydrophobicContact CD2-CB 4.41Å; V506-V643 HydrophobicContact CG1-CG2 3.83Å; Y528-V643 PolarHBondContact O-N 3.28Å; Y528-V643 VanDerWaalsContact O-N 3.1Å; V643-N645 VanDerWaalsContact CG1-O 3.32Å; V643-N645 WeakPolarHBondContact CG1-O 3.35Å; V643-L648 HydrophobicContact CG2-CB 4.17Å; V643-L648 HydrophobicContact CG2-CD1 3.41Å; V643-L648 VanDerWaalsContact CG2-CD1 3.41Å; V643-L648 HydrophobicContact CG2-CG 3.55Å
644W90.8Very high94.3Very high25 Ų2530 Ų3010%0.09518%0.177CC..SBendtrans-102.9-17.4177.1-70.3-77.6000113.7R508 G526 Y528 W552 W567R508-W644 WeakPolarHBondContact CD-O 3.47Å; R508-W644 PolarHBondContact NH1-O 3.25Å; G526-W644 PolarHBondContact O-NE1 3.45Å; Y528-W644 AromaticContact CD2-CD1 3.47Å; Y528-W644 VanDerWaalsContact CD2-CD1 3.47Å; Y528-W644 HydrophobicContact CD2-CG 4.28Å; Y528-W644 AromaticContact CE2-CD1 3.56Å; W552-W644 HydrophobicContact CB-CB 3.67Å; W552-W644 HydrophobicContact CB-CD2 4.44Å; W552-W644 HydrophobicContact CB-CE3 3.94Å; W552-W644 HydrophobicContact CB-CG 4.41Å; W552-W644 HydrophobicContact CE3-CB 3.93Å; W552-W644 HydrophobicContact CE3-CD2 4.47Å; W552-W644 HydrophobicContact CE3-CG 4.16Å; W552-W644 PolarHBondContact O-N 3.42Å; W567-W644 HydrophobicContact CD2-CZ2 4.31Å; W567-W644 HydrophobicContact CE3-CH2 4.06Å; W567-W644 HydrophobicContact CE3-CZ2 4.08Å; W567-W644 HydrophobicContact CH2-CH2 4.27Å; W567-W644 AromaticContact CH2-CZ2 3.86Å; W567-W644 HydrophobicContact CH2-CZ2 3.86Å; W567-W644 HydrophobicContact CZ2-CZ2 4.09Å; W567-W644 AromaticContact CZ3-CH2 3.85Å; W567-W644 HydrophobicContact CZ3-CH2 3.85Å; W567-W644 AromaticContact CZ3-CZ2 3.86Å; W567-W644 HydrophobicContact CZ3-CZ2 3.86Å
645N90.4Very high94.3Very high45 Ų4530.2 Ų30.224%0.24117%0.167CC..SBendtrans-149.7154.1173.366.7-10.7000112.1S550 T551 W552 V643S550-N645 WeakPolarHBondContact CA-OD1 3.3Å; S550-N645 VanDerWaalsContact CB-O 3.29Å; S550-N645 WeakPolarHBondContact CB-O 3.34Å; S550-N645 PolarHBondContact OG-O 3.32Å; S550-N645 PolarHBondContact OG-OD1 3.33Å; T551-N645 PolarHBondContact N-OD1 3.08Å; T551-N645 PolarHBondContact OG1-ND2 3.19Å; W552-N645 PolarHBondContact N-OD1 2.95Å; W552-N645 VanDerWaalsContact N-OD1 3.1Å; V643-N645 VanDerWaalsContact CG1-O 3.32Å; V643-N645 WeakPolarHBondContact CG1-O 3.35Å
646K91.1Very high94Very high134 Ų13426.7 Ų26.758%0.58315%0.15SC*.SBendtrans54.1-134.1-178.6-52.2-140.7-176.2-172.40111.4E507 R508 G549E507-K646 WeakPolarHBondContact CA-O 3.42Å; R508-K646 PolarHBondContact N-O 3.42Å; G549-K646 WeakPolarHBondContact O-CD 3.12Å
647C93.6Very high93.7Very high26 Ų2625.5 Ų25.518%0.17614%0.143CC..EExtended strand (participates in β ladder)trans-143.3159.7-178.361.30000113T505 V506 E507 S548T505-C647 HydrophobicContact CG2-CB 3.96Å; V506-C647 CarbonylContact O-C 3.53Å; V506-C647 WeakPolarHBondContact O-CA 3.38Å; V506-C647 VanDerWaalsContact O-CB 3.25Å; V506-C647 WeakPolarHBondContact O-CB 3.39Å; E507-C647 HydrophobicContact CB-CB 3.68Å; S548-C647 WeakPolarHBondContact CB-SG 3.38Å; S548-C647 PolarHBondContact N-O 2.83Å
648L96.5Very high93Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-120.4140.4167.1-62.1-178.6000108.7T505 V506 V545 I547 Y553 I555 V643T505-L648 WeakPolarHBondContact CA-O 3.06Å; V506-L648 HydrophobicContact CG1-CB 4.21Å; V506-L648 PolarHBondContact N-O 3.2Å; V506-L648 PolarHBondContact O-N 3.37Å; V545-L648 HydrophobicContact CG1-CB 4Å; V545-L648 HydrophobicContact CG1-CD1 4.2Å; V545-L648 HydrophobicContact CG1-CD2 4.2Å; V545-L648 HydrophobicContact CG1-CG 4.37Å; I547-L648 HydrophobicContact CG1-CD2 4.37Å; I547-L648 HydrophobicContact CG2-CD2 4.47Å; Y553-L648 HydrophobicContact CD1-CD2 4.28Å; Y553-L648 HydrophobicContact CG-CD1 4.41Å; Y553-L648 HydrophobicContact CG-CD2 4.3Å; I555-L648 HydrophobicContact CG2-CD1 3.7Å; V643-L648 HydrophobicContact CG2-CB 4.17Å; V643-L648 HydrophobicContact CG2-CD1 3.41Å; V643-L648 VanDerWaalsContact CG2-CD1 3.41Å; V643-L648 HydrophobicContact CG2-CG 3.55Å
649T97.4Very high92.3Very high39 Ų3935.8 Ų35.824%0.23920%0.195CC..EExtended strand (participates in β ladder)trans-119.2128.5174.8-59.10000109.5L504 T505 V545 V546L504-T649 CarbonylContact O-C 3.56Å; L504-T649 WeakPolarHBondContact O-CA 3.37Å; T505-T649 WeakPolarHBondContact OG1-CG2 3.35Å; T505-T649 PolarHBondContact OG1-OG1 2.99Å; V545-T649 CarbonylContact C-O 3.54Å; V545-T649 WeakPolarHBondContact CA-O 3.35Å; V546-T649 PolarHBondContact N-O 3.48Å; V546-T649 PolarHBondContact O-N 3.46Å; V546-T649 VanDerWaalsContact O-N 3.11Å
650I97.3Very high91.6Very high4 Ų436.3 Ų36.32%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-93.7140.3179.560.6166.1000110.9F486 L488 L504 V545 F641 T652F486-I650 HydrophobicContact CD2-CD1 3.93Å; F486-I650 HydrophobicContact CE2-CD1 3.52Å; F486-I650 HydrophobicContact CZ-CD1 4.28Å; L488-I650 HydrophobicContact CD2-CD1 4.05Å; L488-I650 HydrophobicContact CD2-CG2 4.42Å; L488-I650 HydrophobicContact CG-CD1 3.8Å; L488-I650 HydrophobicContact CG-CG1 4.33Å; L504-I650 HydrophobicContact CB-CG1 4.19Å; L504-I650 HydrophobicContact CD2-CD1 4.02Å; L504-I650 HydrophobicContact CD2-CG1 3.89Å; L504-I650 VanDerWaalsContact O-CG1 3.28Å; L504-I650 WeakPolarHBondContact O-CG1 3.5Å; L504-I650 PolarHBondContact O-N 3.37Å; V545-I650 HydrophobicContact CG2-CG2 4.4Å; F641-I650 HydrophobicContact CD1-CG2 4.43Å; F641-I650 HydrophobicContact CE1-CG2 3.79Å; F641-I650 HydrophobicContact CE2-CG2 4.26Å; F641-I650 HydrophobicContact CZ-CG2 3.69Å; I650-T652 HydrophobicContact CB-CG2 4.2Å; I650-T652 HydrophobicContact CD1-CG2 3.75Å; I650-T652 HydrophobicContact CG1-CG2 4.13Å
651I96.8Very high90.3Very high53 Ų5337.6 Ų37.627%0.27220%0.204SC..EExtended strand (participates in β ladder)trans-118.5113.1171.3-50.6174.3000106.4W543 E544 V546 L654W543-I651 WeakPolarHBondContact CA-O 3.31Å; W543-I651 WeakPolarHBondContact CB-O 3.37Å; E544-I651 HydrophobicContact CB-CB 4.23Å; E544-I651 HydrophobicContact CB-CD1 4.43Å; E544-I651 PolarHBondContact N-O 3.18Å; E544-I651 PolarHBondContact O-N 3.02Å; V546-I651 HydrophobicContact CG2-CD1 3.67Å; V546-I651 HydrophobicContact CG2-CG1 4.18Å; I651-L654 HydrophobicContact CB-CD1 4.24Å; I651-L654 HydrophobicContact CG2-CD1 3.79Å; I651-L654 HydrophobicContact CG2-CD2 3.72Å; I651-L654 HydrophobicContact CG2-CG 3.89Å
652T94.8Very high88.4Confident31 Ų3140.7 Ų40.719%0.1923%0.226CC..EExtended strand (participates in β ladder)trans-122.9166.3-171.273.80000111.3F486 I650 L654F486-T652 HydrophobicContact CD1-CG2 3.64Å; F486-T652 HydrophobicContact CD2-CG2 4.05Å; F486-T652 HydrophobicContact CE1-CG2 3.39Å; F486-T652 HydrophobicContact CE2-CG2 3.82Å; F486-T652 HydrophobicContact CG-CG2 3.95Å; F486-T652 HydrophobicContact CZ-CG2 3.49Å; F486-T652 VanDerWaalsContact CZ-CG2 3.49Å; F486-T652 PolarHBondContact N-OG1 2.77Å; F486-T652 WeakPolarHBondContact O-CG2 3.48Å; F486-T652 PolarHBondContact O-OG1 2.88Å; F486-T652 VanDerWaalsContact O-OG1 3.11Å; I650-T652 HydrophobicContact CB-CG2 4.2Å; I650-T652 HydrophobicContact CD1-CG2 3.75Å; I650-T652 HydrophobicContact CG1-CG2 4.13Å; T652-L654 PolarHBondContact O-N 3.18Å
653G89.2Confident86.2Confident24 Ų2445.2 Ų45.225%0.24726%0.257CS..EExtended strand (participates in β ladder)trans74.117.2-178.500000113.1S483S483-G653 WeakPolarHBondContact O-CA 3.41Å
654L91.3Very high83.8Confident42 Ų4250.2 Ų50.222%0.2228%0.281CS..EExtended strand (participates in β ladder)trans-74.4143.9-179.8-66.2179.1000110.4S483 Y542 E544 I651 T652S483-L654 VanDerWaalsContact CB-O 3.29Å; S483-L654 WeakPolarHBondContact CB-O 3.47Å; S483-L654 PolarHBondContact OG-O 3.46Å; Y542-L654 HydrophobicContact CD1-CB 3.9Å; Y542-L654 HydrophobicContact CD1-CD1 4.1Å; Y542-L654 HydrophobicContact CE1-CB 4.46Å; Y542-L654 HydrophobicContact CE1-CD1 3.91Å; E544-L654 HydrophobicContact CB-CD1 4.09Å; E544-L654 HydrophobicContact CG-CD1 3.68Å; I651-L654 HydrophobicContact CB-CD1 4.24Å; I651-L654 HydrophobicContact CG2-CD1 3.79Å; I651-L654 HydrophobicContact CG2-CD2 3.72Å; I651-L654 HydrophobicContact CG2-CG 3.89Å; T652-L654 PolarHBondContact O-N 3.18Å
655P90.1Very high81.1Confident68 Ų6857.2 Ų57.244%0.44231%0.314SS..PPolyproline II helixtrans-64.2150.8163.229.8-33.8000109.5P657P655-P657 WeakPolarHBondContact O-CD 3.19Å
656I89.7Confident78.1Confident12 Ų1263.4 Ų63.46%0.06235%0.346CS..PPolyproline II helixtrans-67.7122.5171.1-57.9170.7000107.6K480 R540 L607 L660K480-I656 PolarHBondContact NZ-O 3.41Å; R540-I656 HydrophobicContact CB-CD1 3.44Å; R540-I656 VanDerWaalsContact CB-CD1 3.44Å; L607-I656 HydrophobicContact CD1-CD1 4.27Å; L607-I656 HydrophobicContact CD1-CG1 4.27Å; L607-I656 HydrophobicContact CD1-CG2 4.08Å; I656-L660 HydrophobicContact CG2-CB 4.23Å
657P87.9Confident75.1Confident30 Ų3065.2 Ų65.220%0.19539%0.387CS..PPolyproline II helixtrans-56.7137.4177.9-24.933.7000111.9Y542 P655 H659 L660 D661Y542-P657 HydrophobicContact CD1-CG 4.14Å; Y542-P657 HydrophobicContact CE1-CG 3.75Å; Y542-P657 HydrophobicContact CE2-CG 4.49Å; P655-P657 WeakPolarHBondContact O-CD 3.19Å; P657-H659 VanDerWaalsContact C-N 3.26Å; P657-H659 WeakPolarHBondContact CB-CE1 3.38Å; P657-H659 WeakPolarHBondContact CB-ND1 3.34Å; P657-H659 PolarHBondContact O-N 2.7Å; P657-H659 VanDerWaalsContact O-N 3.16Å; P657-L660 HydrophobicContact CB-CD1 4.38Å; P657-L660 HydrophobicContact CB-CG 4.32Å; P657-L660 HydrophobicContact CG-CD1 4.13Å; P657-L660 WeakPolarHBondContact O-CA 3.35Å; P657-L660 WeakPolarHBondContact O-CB 3.32Å; P657-L660 PolarHBondContact O-N 2.93Å; P657-D661 PolarHBondContact O-N 3.45Å
658D82.4Confident74.2Confident126 Ų12667.2 Ų67.267%0.67440%0.397SS*.Hα-helixtrans-58.1-36.2-171.5-60.5-33.1000113.5K480 L660 D661 S662K480-D658 IonicContact NZ-OD1 2.9Å; D658-L660 PolarHBondContact O-N 3.34Å; D658-D661 WeakPolarHBondContact O-CB 3.35Å; D658-D661 PolarHBondContact O-N 3.42Å; D658-S662 PolarHBondContact O-N 3.2Å; D658-S662 PolarHBondContact O-OG 3.48Å
659H82.8Confident73Confident92 Ų9270.7 Ų70.743%0.42642%0.418SS..Hα-helixtrans-65.4-18.4176.667-84.8000114.1S623 P657 S662S623-H659 VanDerWaalsContact CB-NE2 3.3Å; S623-H659 WeakPolarHBondContact CB-NE2 3.48Å; S623-H659 PolarHBondContact OG-CE1 2.73Å; S623-H659 PolarHBondContact OG-NE2 3.17Å; P657-H659 VanDerWaalsContact C-N 3.26Å; P657-H659 WeakPolarHBondContact CB-CE1 3.38Å; P657-H659 WeakPolarHBondContact CB-ND1 3.34Å; P657-H659 PolarHBondContact O-N 2.7Å; P657-H659 VanDerWaalsContact O-N 3.16Å; H659-S662 PolarHBondContact O-OG 3.49Å
660L81.8Confident71.6Confident12 Ų1272.5 Ų72.56%0.06343%0.428CS..Hα-helixtrans-96.9-8.2174.7-56.7-176000112.5R540 Y542 L607 Y618 I656 P657 D658R540-L660 PolarHBondContact NH2-O 2.86Å; R540-L660 VanDerWaalsContact NH2-O 3.1Å; Y542-L660 HydrophobicContact CD2-CD1 4.42Å; Y542-L660 HydrophobicContact CE2-CD1 4.04Å; L607-L660 HydrophobicContact CD2-CB 4.33Å; Y618-L660 HydrophobicContact CD1-CD2 3.8Å; Y618-L660 HydrophobicContact CD2-CD1 4.09Å; Y618-L660 HydrophobicContact CE1-CD2 3.42Å; Y618-L660 VanDerWaalsContact CE1-CD2 3.42Å; Y618-L660 HydrophobicContact CE2-CD1 4.09Å; Y618-L660 HydrophobicContact CE2-CD2 4.3Å; Y618-L660 HydrophobicContact CG-CD1 4.33Å; Y618-L660 HydrophobicContact CG-CD2 4.4Å; I656-L660 HydrophobicContact CG2-CB 4.23Å; P657-L660 HydrophobicContact CB-CD1 4.38Å; P657-L660 HydrophobicContact CB-CG 4.32Å; P657-L660 HydrophobicContact CG-CD1 4.13Å; P657-L660 WeakPolarHBondContact O-CA 3.35Å; P657-L660 WeakPolarHBondContact O-CB 3.32Å; P657-L660 PolarHBondContact O-N 2.93Å; D658-L660 PolarHBondContact O-N 3.34Å
661D69.9Low70.1Confident26 Ų2676.5 Ų76.514%0.13945%0.452CS..Hα-helixtrans-90.2-23.2178.2-149-0.8000111.8K458 K480 R540 P657 D658 S663K458-D661 WeakPolarHBondContact CE-OD1 3.4Å; K458-D661 IonicContact NZ-OD1 2.83Å; K458-D661 PolarHBondContact NZ-OD1 2.97Å; K458-D661 VanDerWaalsContact NZ-OD1 3.1Å; K480-D661 IonicContact NZ-OD2 3.26Å; K480-D661 PolarHBondContact NZ-OD2 3.12Å; R540-D661 IonicContact CZ-OD1 3.89Å; R540-D661 IonicContact NH1-OD1 2.63Å; R540-D661 PolarHBondContact NH1-OD1 3.25Å; P657-D661 PolarHBondContact O-N 3.45Å; D658-D661 WeakPolarHBondContact O-CB 3.35Å; D658-D661 PolarHBondContact O-N 3.42Å; D661-S663 VanDerWaalsContact C-N 3.31Å; D661-S663 PolarHBondContact O-N 3.28Å
662S54.4Low68.5Low65 Ų6578 Ų7846%0.45546%0.464SS..G310 helixtrans-76.23.6-17538.10000116.8D658 H659 E664 Q665D658-S662 PolarHBondContact O-N 3.2Å; D658-S662 PolarHBondContact O-OG 3.48Å; H659-S662 PolarHBondContact O-OG 3.49Å; S662-E664 PolarHBondContact O-N 3.28Å; S662-E664 VanDerWaalsContact O-N 3.11Å; S662-Q665 PolarHBondContact O-N 2.67Å
663S48.5Very low66.7Low95 Ų9581.1 Ų81.166%0.66448%0.482SS*.G310 helixtrans-710.9179.246.70000114.9D661D661-S663 VanDerWaalsContact C-N 3.31Å; D661-S663 PolarHBondContact O-N 3.28Å
664E44.4Very low65.1Low105 Ų10585.2 Ų85.249%0.49150%0.498SS..G310 helixtrans-92.3-5.4175.1-73.5175.4166.700114.2K458 S662K458-E664 IonicContact NZ-OE1 3.24Å; K458-E664 IonicContact NZ-OE2 3.04Å; K458-E664 PolarHBondContact NZ-OE2 3.27Å; S662-E664 PolarHBondContact O-N 3.28Å; S662-E664 VanDerWaalsContact O-N 3.11Å
665Q32.2Very low63.1Low172 Ų17288.5 Ų88.580%0.80452%0.52SS*.SBendtrans-90.81.1-176.4-80.2-176.2-13.600115.4S662S662-Q665 PolarHBondContact O-N 2.67Å
666L28.9Very low60.9Low175 Ų17590.3 Ų90.392%0.91653%0.526SS*.  trans-127.567.7178-74.9163000110.2
667A27.4Very low58.2Low173 Ų17397.4 Ų97.4100%1.4357%0.569SS**  trans-146.40162.100000110

Retrieved 667 of 667 residues in 189.2 ms (Link to these results)

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