A0A087XBD9_POEFO Loading...

SRP receptor subunit alpha

AlphaFold DB , UniProt , Accession A0A087XBD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 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
1M68.8Low81.7Confident141 Ų14130.5 Ų30.570%0.69518%0.183SC*.  0134.90-155.7175.7-70.100106.2
2L78.9Confident81.1Confident4 Ų432.6 Ų32.62%0.02122%0.215CC..  trans-81.2133.3177-67.1-178.6000109.4V70 F72 L78 V81 F84 L123L2-V70 HydrophobicContact CD1-CG2 4.07Å; L2-V70 HydrophobicContact CD2-CG2 3.64Å; L2-V70 HydrophobicContact CG-CG2 4.38Å; L2-F72 HydrophobicContact CD2-CB 4.21Å; L2-L78 HydrophobicContact CD2-CD1 3.74Å; L2-V81 HydrophobicContact CD2-CG2 4.18Å; L2-F84 HydrophobicContact CD1-CD1 3.93Å; L2-F84 HydrophobicContact CD1-CE1 3.45Å; L2-F84 VanDerWaalsContact CD1-CE1 3.45Å; L2-F84 HydrophobicContact CD1-CZ 4.16Å; L2-L123 HydrophobicContact CD1-CD1 3.46Å; L2-L123 VanDerWaalsContact CD1-CD1 3.46Å; L2-L123 HydrophobicContact CG-CD1 4.04Å
3D81Confident81Confident21 Ų2132.3 Ų32.311%0.11221%0.21CC..  trans-83.1-43.6-178.6-61.5-43.5000110.5G20 V23 L54 G71 F72 Q73D3-G20 PolarHBondContact O-N 2.82Å; D3-V23 HydrophobicContact CB-CG2 4.04Å; D3-L54 HydrophobicContact CB-CD2 4.28Å; D3-L54 WeakPolarHBondContact OD2-CD2 2.93Å; D3-G71 PolarHBondContact N-O 3.48Å; D3-G71 VanDerWaalsContact N-O 3.08Å; D3-F72 VanDerWaalsContact OD2-C 3.32Å; D3-F72 VanDerWaalsContact OD2-CA 3.26Å; D3-F72 WeakPolarHBondContact OD2-CA 3.46Å; D3-Q73 VanDerWaalsContact OD2-CG 3.24Å; D3-Q73 WeakPolarHBondContact OD2-CG 3.11Å; D3-Q73 PolarHBondContact OD2-N 3.48Å
4F86.6Confident81.2Confident5 Ų535.9 Ų35.92%0.02223%0.231CC..EExtended strand (participates in β ladder)trans-155.3161.2172.774-91.5000112.9T6 F18 F27 V31 L56 V69 G71F4-T6 HydrophobicContact CE2-CG2 4.32Å; F4-F18 CarbonylContact C-O 3.52Å; F4-F18 VanDerWaalsContact CA-O 3.25Å; F4-F18 WeakPolarHBondContact CA-O 3.42Å; F4-F18 WeakPolarHBondContact CB-O 3.43Å; F4-F27 HydrophobicContact CB-CB 4.37Å; F4-F27 HydrophobicContact CD1-CB 3.99Å; F4-F27 HydrophobicContact CD2-CB 3.95Å; F4-F27 HydrophobicContact CE1-CB 4.16Å; F4-F27 HydrophobicContact CE2-CB 4.15Å; F4-F27 HydrophobicContact CG-CB 3.86Å; F4-F27 HydrophobicContact CZ-CB 4.21Å; F4-V31 HydrophobicContact CE2-CG2 3.49Å; F4-V31 VanDerWaalsContact CE2-CG2 3.49Å; F4-V31 HydrophobicContact CZ-CG2 3.7Å; F4-L56 HydrophobicContact CE1-CD2 3.99Å; F4-L56 HydrophobicContact CE2-CD2 4.23Å; F4-L56 HydrophobicContact CZ-CD2 3.36Å; F4-V69 HydrophobicContact CE2-CG1 4.43Å; F4-G71 PolarHBondContact N-O 2.72Å; F4-G71 PolarHBondContact O-N 3.17Å
5F88.9Confident81.3Confident0 Ų034.6 Ų34.60%022%0.221CC..EExtended strand (participates in β ladder)trans-138.6137.9170-164.2-76.6000109.1I7 W16 C17 F18 F68 V69 V70 F84 I85 V88 F119F5-I7 HydrophobicContact CD1-CG1 4.12Å; F5-I7 HydrophobicContact CE1-CD1 4.06Å; F5-I7 HydrophobicContact CE1-CG1 3.63Å; F5-W16 HydrophobicContact CB-CZ3 4.38Å; F5-W16 HydrophobicContact CD1-CE3 4.33Å; F5-W16 AromaticContact CD1-CZ3 3.63Å; F5-W16 HydrophobicContact CD1-CZ3 3.63Å; F5-W16 HydrophobicContact CE1-CZ3 4.32Å; F5-W16 HydrophobicContact CG-CZ3 4.33Å; F5-C17 CarbonylContact O-C 3.56Å; F5-C17 WeakPolarHBondContact O-CA 3.5Å; F5-F18 HydrophobicContact CB-CB 4.32Å; F5-F18 HydrophobicContact CB-CD1 4.5Å; F5-F18 PolarHBondContact N-O 2.95Å; F5-F18 PolarHBondContact O-N 2.82Å; F5-F68 HydrophobicContact CE1-CD1 4.16Å; F5-F68 HydrophobicContact CZ-CB 4.23Å; F5-F68 HydrophobicContact CZ-CD1 4.22Å; F5-V69 CarbonylContact C-O 3.53Å; F5-V69 WeakPolarHBondContact CA-O 3.32Å; F5-V70 HydrophobicContact CD2-CB 3.67Å; F5-V70 HydrophobicContact CD2-CG2 3.83Å; F5-V70 HydrophobicContact CE2-CB 4.02Å; F5-V70 HydrophobicContact CE2-CG2 4.48Å; F5-F84 AromaticContact CD2-CE1 3.89Å; F5-F84 HydrophobicContact CD2-CE1 3.89Å; F5-F84 HydrophobicContact CE2-CD1 4.35Å; F5-F84 AromaticContact CE2-CE1 3.91Å; F5-F84 HydrophobicContact CE2-CE1 3.91Å; F5-I85 HydrophobicContact CE2-CG1 4.18Å; F5-V88 HydrophobicContact CE1-CG1 3.77Å; F5-V88 HydrophobicContact CE2-CG1 4.48Å; F5-V88 HydrophobicContact CZ-CB 4.11Å; F5-V88 HydrophobicContact CZ-CG1 3.58Å; F5-V88 HydrophobicContact CZ-CG2 4.48Å; F5-F119 HydrophobicContact CB-CE2 3.75Å; F5-F119 HydrophobicContact CB-CZ 3.55Å; F5-F119 AromaticContact CD1-CE2 3.89Å; F5-F119 HydrophobicContact CD1-CE2 3.89Å; F5-F119 AromaticContact CD2-CE2 3.72Å; F5-F119 HydrophobicContact CD2-CE2 3.72Å; F5-F119 HydrophobicContact CD2-CZ 4.06Å; F5-F119 HydrophobicContact CE1-CE2 4.38Å; F5-F119 HydrophobicContact CE2-CE2 4.24Å; F5-F119 AromaticContact CG-CE2 3.52Å; F5-F119 HydrophobicContact CG-CE2 3.52Å; F5-F119 AromaticContact CG-CZ 3.84Å; F5-F119 HydrophobicContact CG-CZ 3.84Å
6T89.1Confident81.8Confident1 Ų133.6 Ų33.61%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-139.1144.2177.2-171.50000111.1F4 F8 V31 V69F4-T6 HydrophobicContact CE2-CG2 4.32Å; T6-F8 HydrophobicContact CG2-CD1 3.94Å; T6-F8 HydrophobicContact CG2-CE1 3.9Å; T6-V31 HydrophobicContact CG2-CG1 4.49Å; T6-V31 HydrophobicContact CG2-CG2 4.06Å; T6-V69 HydrophobicContact CG2-CB 3.81Å; T6-V69 HydrophobicContact CG2-CG2 4.47Å; T6-V69 PolarHBondContact N-O 3.49Å; T6-V69 PolarHBondContact O-N 3Å
7I88.6Confident82.1Confident0 Ų034.9 Ų34.90%022%0.221CC..EExtended strand (participates in β ladder)trans-121.8123.3174.7-53.9172.6000107F5 L15 W16 I67 F68 V88 F92F5-I7 HydrophobicContact CD1-CG1 4.12Å; F5-I7 HydrophobicContact CE1-CD1 4.06Å; F5-I7 HydrophobicContact CE1-CG1 3.63Å; I7-L15 PolarHBondContact O-N 2.93Å; I7-W16 HydrophobicContact CD1-CE3 3.7Å; I7-W16 HydrophobicContact CD1-CZ3 4.32Å; I7-W16 HydrophobicContact CG1-CE3 3.99Å; I7-W16 PolarHBondContact N-O 2.84Å; I7-W16 PolarHBondContact O-N 3.46Å; I7-I67 WeakPolarHBondContact CA-O 3.44Å; I7-F68 HydrophobicContact CD1-CD1 3.9Å; I7-F68 HydrophobicContact CD1-CE1 3.71Å; I7-F68 HydrophobicContact CG1-CD1 3.71Å; I7-F68 HydrophobicContact CG1-CE1 3.94Å; I7-F68 HydrophobicContact CG2-CD1 4.21Å; I7-F68 HydrophobicContact CG2-CE1 3.95Å; I7-F68 HydrophobicContact CG2-CZ 4.25Å; I7-V88 HydrophobicContact CD1-CG1 4.37Å; I7-F92 HydrophobicContact CD1-CB 4.49Å; I7-F92 HydrophobicContact CD1-CD1 4.42Å; I7-F92 HydrophobicContact CD1-CD2 3.45Å; I7-F92 VanDerWaalsContact CD1-CD2 3.45Å; I7-F92 HydrophobicContact CD1-CE2 3.66Å; I7-F92 HydrophobicContact CD1-CG 3.87Å; I7-F92 HydrophobicContact CD1-CZ 4.24Å; I7-F92 HydrophobicContact CG2-CD1 4.49Å; I7-F92 HydrophobicContact CG2-CE1 4.13Å; I7-F92 HydrophobicContact CG2-CZ 4.23Å
8F87.1Confident82.3Confident8 Ų834.4 Ų34.44%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-141.4154.9177.356.5-88000111T6 I13 V14 V31 I35 I39 I67 V69T6-F8 HydrophobicContact CG2-CD1 3.94Å; T6-F8 HydrophobicContact CG2-CE1 3.9Å; F8-I13 CarbonylContact C-O 3.54Å; F8-I13 WeakPolarHBondContact CA-O 3.26Å; F8-I13 VanDerWaalsContact CB-O 3.25Å; F8-I13 WeakPolarHBondContact CB-O 3.35Å; F8-V14 HydrophobicContact CB-CG2 4.32Å; F8-V31 HydrophobicContact CE1-CG1 3.95Å; F8-V31 HydrophobicContact CZ-CG1 4.22Å; F8-I35 HydrophobicContact CE2-CD1 3.91Å; F8-I35 HydrophobicContact CE2-CG1 4.03Å; F8-I35 HydrophobicContact CZ-CD1 3.96Å; F8-I35 HydrophobicContact CZ-CG1 3.95Å; F8-I39 HydrophobicContact CE2-CD1 4.09Å; F8-I39 HydrophobicContact CZ-CD1 3.84Å; F8-I67 HydrophobicContact CD2-CB 4.14Å; F8-I67 HydrophobicContact CD2-CD1 4.35Å; F8-I67 HydrophobicContact CE1-CB 4.38Å; F8-I67 HydrophobicContact CE1-CG2 4.2Å; F8-I67 HydrophobicContact CE2-CB 3.84Å; F8-I67 HydrophobicContact CE2-CD1 3.73Å; F8-I67 HydrophobicContact CE2-CG1 4.21Å; F8-I67 HydrophobicContact CE2-CG2 4.05Å; F8-I67 HydrophobicContact CZ-CB 3.96Å; F8-I67 HydrophobicContact CZ-CD1 4.37Å; F8-I67 HydrophobicContact CZ-CG2 3.72Å; F8-I67 PolarHBondContact N-O 3.42Å; F8-I67 PolarHBondContact O-N 3.41Å; F8-V69 HydrophobicContact CE1-CB 4.33Å; F8-V69 HydrophobicContact CE1-CG2 3.52Å; F8-V69 HydrophobicContact CZ-CG2 3.88Å
9S84.1Confident82.4Confident9 Ų937.4 Ų37.46%0.06323%0.226CC..EExtended strand (participates in β ladder)trans-74.2157174.872.40000110.9G11 G12 I13 E65S9-G11 PolarHBondContact O-N 3.25Å; S9-G11 VanDerWaalsContact O-N 3.12Å; S9-G11 PolarHBondContact OG-N 3.1Å; S9-G12 PolarHBondContact O-N 2.77Å; S9-I13 PolarHBondContact N-O 2.77Å; S9-I13 WeakPolarHBondContact OG-CB 3.45Å; S9-I13 PolarHBondContact OG-N 3.19Å; S9-E65 CarbonylContact C-O 3.58Å; S9-E65 WeakPolarHBondContact CA-O 3.44Å
10K75.6Confident82.1Confident77 Ų7736.1 Ų36.134%0.33522%0.22SC..THydrogen-bonded Turntrans-57.8-23.4170.8-73.2-172.7177.8-173.80112.7G12 N62 E65 I67K10-G12 PolarHBondContact O-N 2.85Å; K10-N62 WeakPolarHBondContact CE-OD1 3.28Å; K10-N62 PolarHBondContact NZ-OD1 3.37Å; K10-E65 HydrophobicContact CB-CB 4.2Å; K10-E65 HydrophobicContact CD-CB 4.1Å; K10-E65 HydrophobicContact CG-CB 4.16Å; K10-E65 PolarHBondContact N-O 3.13Å; K10-I67 HydrophobicContact CG-CD1 4.1Å; K10-I67 HydrophobicContact CG-CG1 4.1Å
11G70.3Confident81.2Confident70 Ų7039.2 Ų39.272%0.72225%0.25SC*.THydrogen-bonded Turntrans-74.3-0.6171.800000114.8S9S9-G11 PolarHBondContact O-N 3.25Å; S9-G11 VanDerWaalsContact O-N 3.12Å; S9-G11 PolarHBondContact OG-N 3.1Å
12G74.6Confident80.8Confident55 Ų5536.4 Ų36.457%0.56726%0.258SS*.SBendtrans86.213.417700000115S9 K10S9-G12 PolarHBondContact O-N 2.77Å; K10-G12 PolarHBondContact O-N 2.85Å
13I79.6Confident79.9Confident29 Ų2938.3 Ų38.315%0.14927%0.269CS..  trans-89.3118.1178-56.7171.4000108.7F8 S9 L15 A105 L108 L109F8-I13 CarbonylContact C-O 3.54Å; F8-I13 WeakPolarHBondContact CA-O 3.26Å; F8-I13 VanDerWaalsContact CB-O 3.25Å; F8-I13 WeakPolarHBondContact CB-O 3.35Å; S9-I13 PolarHBondContact N-O 2.77Å; S9-I13 WeakPolarHBondContact OG-CB 3.45Å; S9-I13 PolarHBondContact OG-N 3.19Å; I13-L15 HydrophobicContact CG2-CD2 4.1Å; I13-L15 PolarHBondContact O-N 3.43Å; I13-A105 HydrophobicContact CD1-CB 3.99Å; I13-L108 HydrophobicContact CD1-CB 4.31Å; I13-L108 HydrophobicContact CD1-CD1 4.4Å; I13-L109 HydrophobicContact CD1-CD2 4.47Å; I13-L109 HydrophobicContact CD1-CG 4.24Å; I13-L109 HydrophobicContact CG2-CD2 3.79Å; I13-L109 HydrophobicContact CG2-CG 4.43Å
14V83.3Confident78.5Confident83 Ų8343 Ų4350%0.50330%0.304SS..EExtended strand (participates in β ladder)trans-71.1118.7172.5-177.90000108.9F8F8-V14 HydrophobicContact CB-CG2 4.32Å
15L83.8Confident77.1Confident16 Ų1649.5 Ų49.58%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-89.8-42.5178.9-56.5-174.8000110.6I7 I13 L66 F92 L100 L108 F113I7-L15 PolarHBondContact O-N 2.93Å; I13-L15 HydrophobicContact CG2-CD2 4.1Å; I13-L15 PolarHBondContact O-N 3.43Å; L15-L66 HydrophobicContact CD1-CD2 3.4Å; L15-L66 VanDerWaalsContact CD1-CD2 3.4Å; L15-F92 HydrophobicContact CB-CZ 4.34Å; L15-F92 HydrophobicContact CD1-CE1 4.34Å; L15-F92 HydrophobicContact CD1-CZ 4.46Å; L15-L100 HydrophobicContact CD1-CD2 4.14Å; L15-L108 HydrophobicContact CD2-CB 4.14Å; L15-L108 HydrophobicContact CD2-CD2 4.09Å; L15-L108 HydrophobicContact CD2-CG 4.49Å; L15-F113 HydrophobicContact CB-CD2 4.04Å; L15-F113 HydrophobicContact CB-CE2 4.37Å; L15-F113 HydrophobicContact CB-CG 4.28Å; L15-F113 HydrophobicContact CD2-CD2 4.24Å; L15-F113 HydrophobicContact CD2-CE2 3.77Å; L15-F113 HydrophobicContact CD2-CZ 4.23Å; L15-F113 HydrophobicContact CG-CE2 4.49Å
16W88.2Confident75.9Confident19 Ų1953.6 Ų53.67%0.07236%0.363CS..EExtended strand (participates in β ladder)trans-157.5146.7-179.1178.381.2000111.2F5 I7 F18 F92 F113 F115 E116 F119F5-W16 HydrophobicContact CB-CZ3 4.38Å; F5-W16 HydrophobicContact CD1-CE3 4.33Å; F5-W16 AromaticContact CD1-CZ3 3.63Å; F5-W16 HydrophobicContact CD1-CZ3 3.63Å; F5-W16 HydrophobicContact CE1-CZ3 4.32Å; F5-W16 HydrophobicContact CG-CZ3 4.33Å; I7-W16 HydrophobicContact CD1-CE3 3.7Å; I7-W16 HydrophobicContact CD1-CZ3 4.32Å; I7-W16 HydrophobicContact CG1-CE3 3.99Å; I7-W16 PolarHBondContact N-O 2.84Å; I7-W16 PolarHBondContact O-N 3.46Å; W16-F18 HydrophobicContact CH2-CB 3.26Å; W16-F18 HydrophobicContact CH2-CG 4.3Å; W16-F18 HydrophobicContact CZ2-CB 3.62Å; W16-F18 HydrophobicContact CZ3-CB 4.05Å; W16-F92 HydrophobicContact CB-CE2 4.31Å; W16-F113 VanDerWaalsContact CD1-O 3.3Å; W16-F115 HydrophobicContact CD2-CB 4.04Å; W16-F115 HydrophobicContact CE3-CD1 4.45Å; W16-F115 HydrophobicContact CG-CB 4.04Å; W16-F115 HydrophobicContact CZ3-CD1 4.45Å; W16-E116 WeakPolarHBondContact CZ2-OE2 3.29Å; W16-F119 HydrophobicContact CH2-CB 3.6Å; W16-F119 AromaticContact CH2-CD1 3.58Å; W16-F119 HydrophobicContact CH2-CD1 3.58Å; W16-F119 AromaticContact CH2-CD2 3.26Å; W16-F119 HydrophobicContact CH2-CD2 3.26Å; W16-F119 HydrophobicContact CH2-CE1 4.01Å; W16-F119 AromaticContact CH2-CE2 3.68Å; W16-F119 HydrophobicContact CH2-CE2 3.68Å; W16-F119 AromaticContact CH2-CG 3.18Å; W16-F119 HydrophobicContact CH2-CG 3.18Å; W16-F119 HydrophobicContact CH2-CZ 4.04Å; W16-F119 HydrophobicContact CZ2-CB 3.79Å; W16-F119 HydrophobicContact CZ2-CD1 4.15Å; W16-F119 HydrophobicContact CZ2-CD2 4.28Å; W16-F119 AromaticContact CZ2-CG 3.83Å; W16-F119 HydrophobicContact CZ2-CG 3.83Å; W16-F119 HydrophobicContact CZ3-CB 4.5Å; W16-F119 AromaticContact CZ3-CD2 3.62Å; W16-F119 HydrophobicContact CZ3-CD2 3.62Å; W16-F119 AromaticContact CZ3-CE2 3.87Å; W16-F119 HydrophobicContact CZ3-CE2 3.87Å; W16-F119 HydrophobicContact CZ3-CG 4.03Å
17C87.8Confident75Confident56 Ų5655.8 Ų55.838%0.37837%0.372SS..EExtended strand (participates in β ladder)trans-142.2147.6174.765.50000111.9F5 F27F5-C17 CarbonylContact O-C 3.56Å; F5-C17 WeakPolarHBondContact O-CA 3.5Å; C17-F27 HydrophobicContact CB-CZ 4.29Å
18F86.1Confident74Confident26 Ų2659.2 Ų59.211%0.11439%0.393CS..EExtended strand (participates in β ladder)trans-122.8138.2171.1166.4-92.3000109.8F4 F5 W16 F119 L123F4-F18 CarbonylContact C-O 3.52Å; F4-F18 VanDerWaalsContact CA-O 3.25Å; F4-F18 WeakPolarHBondContact CA-O 3.42Å; F4-F18 WeakPolarHBondContact CB-O 3.43Å; F5-F18 HydrophobicContact CB-CB 4.32Å; F5-F18 HydrophobicContact CB-CD1 4.5Å; F5-F18 PolarHBondContact N-O 2.95Å; F5-F18 PolarHBondContact O-N 2.82Å; W16-F18 HydrophobicContact CH2-CB 3.26Å; W16-F18 HydrophobicContact CH2-CG 4.3Å; W16-F18 HydrophobicContact CZ2-CB 3.62Å; W16-F18 HydrophobicContact CZ3-CB 4.05Å; F18-F119 HydrophobicContact CB-CD1 4.16Å; F18-F119 HydrophobicContact CB-CE1 3.82Å; F18-F119 HydrophobicContact CB-CZ 4.2Å; F18-F119 HydrophobicContact CD1-CD1 4.35Å; F18-F119 AromaticContact CD1-CE1 3.4Å; F18-F119 HydrophobicContact CD1-CE1 3.4Å; F18-F119 AromaticContact CD1-CZ 3.87Å; F18-F119 HydrophobicContact CD1-CZ 3.87Å; F18-F119 AromaticContact CD2-CD1 3.91Å; F18-F119 HydrophobicContact CD2-CD1 3.91Å; F18-F119 AromaticContact CD2-CE1 3.74Å; F18-F119 HydrophobicContact CD2-CE1 3.74Å; F18-F119 AromaticContact CE1-CE1 3.82Å; F18-F119 HydrophobicContact CE1-CE1 3.82Å; F18-F119 HydrophobicContact CE1-CZ 4.48Å; F18-F119 HydrophobicContact CE2-CD1 4.38Å; F18-F119 HydrophobicContact CE2-CE1 4.13Å; F18-F119 AromaticContact CG-CD1 3.88Å; F18-F119 HydrophobicContact CG-CD1 3.88Å; F18-F119 AromaticContact CG-CE1 3.35Å; F18-F119 HydrophobicContact CG-CE1 3.35Å; F18-F119 HydrophobicContact CG-CZ 4.05Å; F18-F119 HydrophobicContact CZ-CE1 4.16Å; F18-L123 HydrophobicContact CE1-CD2 4.33Å; F18-L123 HydrophobicContact CZ-CD2 4.23Å
19Q83.8Confident73.3Confident91 Ų9160.5 Ų60.543%0.42541%0.409SS..EExtended strand (participates in β ladder)trans-124.8126176.5-170.2163.5-11.400109.1V23Q19-V23 HydrophobicContact CG-CB 4.22Å; Q19-V23 PolarHBondContact NE2-O 3.36Å
20G75.4Confident72.6Confident10 Ų1061 Ų6110%0.10341%0.412CS..  trans-67.7154.2179.300000112.3D3 G22 V23D3-G20 PolarHBondContact O-N 2.82Å; G20-G22 PolarHBondContact O-N 3.2Å; G20-V23 PolarHBondContact O-N 3.29Å
21A63.7Low72.6Confident102 Ų10257.8 Ų57.884%0.84340%0.399SS*.THydrogen-bonded Turntrans-64.7122.1178.300000110.8
22G59.9Low72.8Confident83 Ų8358.3 Ų58.386%0.85639%0.385SS*.THydrogen-bonded Turntrans102.32.2176.500000116G20G20-G22 PolarHBondContact O-N 3.2Å
23V61.4Low72.5Confident44 Ų4456.7 Ų56.727%0.26737%0.366SS..  trans-90.9109175.9-175.70000109.7D3 Q19 G20D3-V23 HydrophobicContact CB-CG2 4.04Å; Q19-V23 HydrophobicContact CG-CB 4.22Å; Q19-V23 PolarHBondContact NE2-O 3.36Å; G20-V23 PolarHBondContact O-N 3.29Å
24S50.9Low72.2Confident120 Ų12055.3 Ų55.384%0.83936%0.359SS*.  trans-93-12176.452.60000114.1
25E57.4Low71.7Confident140 Ų14053.3 Ų53.365%0.65435%0.345SS*.SBendtrans-85.9138.7179.8-75.5-176.2161.900112.5F27E25-F27 PolarHBondContact O-N 3.5Å
26S62.7Low70.9Confident86 Ų8661.3 Ų61.360%0.60137%0.374SS*.  trans-67.2110178.4-43.10000110.7T28 G29S26-T28 WeakPolarHBondContact CB-OG1 3.39Å; S26-T28 PolarHBondContact O-N 3.01Å; S26-T28 PolarHBondContact O-OG1 3.07Å; S26-G29 PolarHBondContact O-N 3.27Å
27F69.8Low69.6Low48 Ų4861.9 Ų61.921%0.21138%0.381CS..THydrogen-bonded Turntrans-53.9-16.117662.3-93.5000114.3F4 C17 E25 G29 P30 V31F4-F27 HydrophobicContact CB-CB 4.37Å; F4-F27 HydrophobicContact CD1-CB 3.99Å; F4-F27 HydrophobicContact CD2-CB 3.95Å; F4-F27 HydrophobicContact CE1-CB 4.16Å; F4-F27 HydrophobicContact CE2-CB 4.15Å; F4-F27 HydrophobicContact CG-CB 3.86Å; F4-F27 HydrophobicContact CZ-CB 4.21Å; C17-F27 HydrophobicContact CB-CZ 4.29Å; E25-F27 PolarHBondContact O-N 3.5Å; F27-G29 VanDerWaalsContact C-N 3.31Å; F27-G29 PolarHBondContact O-N 2.97Å; F27-P30 WeakPolarHBondContact O-CD 3.4Å; F27-V31 HydrophobicContact CD2-CG2 4.33Å; F27-V31 WeakPolarHBondContact O-CB 3.45Å; F27-V31 VanDerWaalsContact O-CG2 3.25Å; F27-V31 WeakPolarHBondContact O-CG2 3.3Å; F27-V31 PolarHBondContact O-N 3.4Å; F27-V31 VanDerWaalsContact O-N 3.13Å
28T68.8Low68.5Low71 Ų7160.3 Ų60.344%0.43637%0.37SS..Hα-helixtrans-52.3-38.7175.158.70000114.5S26 N32S26-T28 WeakPolarHBondContact CB-OG1 3.39Å; S26-T28 PolarHBondContact O-N 3.01Å; S26-T28 PolarHBondContact O-OG1 3.07Å; T28-N32 WeakPolarHBondContact O-CB 3.17Å; T28-N32 PolarHBondContact O-N 3.28Å; T28-N32 PolarHBondContact O-ND2 3.27Å
29G72.4Confident67.5Low36 Ų3660.9 Ų60.937%0.37137%0.374SS..Hα-helixtrans-65.1-59.1-178.300000112.3S26 F27 V31 N32 A33S26-G29 PolarHBondContact O-N 3.27Å; F27-G29 VanDerWaalsContact C-N 3.31Å; F27-G29 PolarHBondContact O-N 2.97Å; G29-V31 VanDerWaalsContact C-N 3.34Å; G29-V31 PolarHBondContact O-N 3.22Å; G29-N32 PolarHBondContact O-N 2.86Å; G29-A33 PolarHBondContact O-N 3.4Å
30P70.3Confident66.4Low18 Ų1862 Ų6212%0.11738%0.382CS..Hα-helixtrans-59.8-38.6177.1-24.632.7000113.8F27 A33 L34 L54 L56F27-P30 WeakPolarHBondContact O-CD 3.4Å; P30-A33 WeakPolarHBondContact O-CB 3.33Å; P30-A33 PolarHBondContact O-N 3.46Å; P30-L34 PolarHBondContact O-N 3.19Å; P30-L54 HydrophobicContact CG-CD1 4.1Å; P30-L56 HydrophobicContact CB-CD1 3.94Å; P30-L56 HydrophobicContact CB-CD2 4.47Å
31V73.6Confident65.2Low10 Ų1064 Ų646%0.06139%0.389CS..Hα-helixtrans-68.2-42.2177.3174.30000111.3F4 T6 F8 F27 G29 A33 L34 I35F4-V31 HydrophobicContact CE2-CG2 3.49Å; F4-V31 VanDerWaalsContact CE2-CG2 3.49Å; F4-V31 HydrophobicContact CZ-CG2 3.7Å; T6-V31 HydrophobicContact CG2-CG1 4.49Å; T6-V31 HydrophobicContact CG2-CG2 4.06Å; F8-V31 HydrophobicContact CE1-CG1 3.95Å; F8-V31 HydrophobicContact CZ-CG1 4.22Å; F27-V31 HydrophobicContact CD2-CG2 4.33Å; F27-V31 WeakPolarHBondContact O-CB 3.45Å; F27-V31 VanDerWaalsContact O-CG2 3.25Å; F27-V31 WeakPolarHBondContact O-CG2 3.3Å; F27-V31 PolarHBondContact O-N 3.4Å; F27-V31 VanDerWaalsContact O-N 3.13Å; G29-V31 VanDerWaalsContact C-N 3.34Å; G29-V31 PolarHBondContact O-N 3.22Å; V31-A33 VanDerWaalsContact C-N 3.29Å; V31-A33 PolarHBondContact O-N 3.35Å; V31-L34 WeakPolarHBondContact O-CB 3.18Å; V31-L34 PolarHBondContact O-N 3.45Å; V31-I35 HydrophobicContact CG1-CD1 3.87Å; V31-I35 HydrophobicContact CG1-CG1 4.4Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 PolarHBondContact O-N 3.4Å
32N75.5Confident64.9Low81 Ų8162.7 Ų62.743%0.43337%0.365SS..Hα-helixtrans-64.4-35.6174.9-74.1-23.7000111.9T28 G29 I35 R36T28-N32 WeakPolarHBondContact O-CB 3.17Å; T28-N32 PolarHBondContact O-N 3.28Å; T28-N32 PolarHBondContact O-ND2 3.27Å; G29-N32 PolarHBondContact O-N 2.86Å; N32-I35 PolarHBondContact O-N 3.31Å; N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 VanDerWaalsContact O-CG 3.27Å; N32-R36 WeakPolarHBondContact O-CG 3.31Å; N32-R36 PolarHBondContact O-N 3.4Å
33A68.9Low64.4Low21 Ų2164.6 Ų64.617%0.17435%0.346CS..Hα-helixtrans-61.8-48173.100000111G29 P30 V31 I35 R36 S37 F49G29-A33 PolarHBondContact O-N 3.4Å; P30-A33 WeakPolarHBondContact O-CB 3.33Å; P30-A33 PolarHBondContact O-N 3.46Å; V31-A33 VanDerWaalsContact C-N 3.29Å; V31-A33 PolarHBondContact O-N 3.35Å; A33-I35 VanDerWaalsContact C-N 3.35Å; A33-I35 PolarHBondContact O-N 3.32Å; A33-R36 PolarHBondContact O-N 2.96Å; A33-S37 WeakPolarHBondContact O-CB 3.42Å; A33-S37 PolarHBondContact O-N 3.41Å; A33-S37 PolarHBondContact O-OG 3.33Å; A33-F49 HydrophobicContact CB-CE1 4.11Å; A33-F49 HydrophobicContact CB-CZ 4.43Å
34L73.4Confident63.6Low0 Ų064.1 Ų64.10%035%0.351CS..Hα-helixtrans-58.6-43.6174.4175.870.1000112.2P30 V31 R36 S37 V38 I39 F49 L56 Y58 V69P30-L34 PolarHBondContact O-N 3.19Å; V31-L34 WeakPolarHBondContact O-CB 3.18Å; V31-L34 PolarHBondContact O-N 3.45Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 3.25Å; L34-S37 PolarHBondContact O-N 3.27Å; L34-V38 HydrophobicContact CD1-CB 3.84Å; L34-V38 HydrophobicContact CD1-CG1 4.42Å; L34-V38 HydrophobicContact CD1-CG2 3.79Å; L34-V38 WeakPolarHBondContact O-CB 3.33Å; L34-V38 PolarHBondContact O-N 2.87Å; L34-I39 HydrophobicContact CD2-CD1 4.41Å; L34-I39 HydrophobicContact CG-CD1 4.24Å; L34-I39 PolarHBondContact O-N 3.03Å; L34-F49 HydrophobicContact CB-CD1 4.02Å; L34-F49 HydrophobicContact CB-CE1 4.37Å; L34-F49 HydrophobicContact CD1-CB 3.61Å; L34-F49 HydrophobicContact CD1-CD1 3.93Å; L34-F49 HydrophobicContact CD1-CG 3.9Å; L34-L56 HydrophobicContact CB-CD1 4.36Å; L34-Y58 HydrophobicContact CD1-CD1 3.84Å; L34-Y58 HydrophobicContact CD1-CE1 4.18Å; L34-Y58 HydrophobicContact CD2-CD1 4.47Å; L34-V69 HydrophobicContact CD2-CB 4.25Å; L34-V69 HydrophobicContact CD2-CG1 3.52Å; L34-V69 HydrophobicContact CD2-CG2 3.63Å
35I73Confident63.6Low41 Ų4160.7 Ų60.721%0.2134%0.335CS..Iπ-helixtrans-60.9-46178.7-68.8165.3000110.3F8 V31 N32 A33 I39 L40F8-I35 HydrophobicContact CE2-CD1 3.91Å; F8-I35 HydrophobicContact CE2-CG1 4.03Å; F8-I35 HydrophobicContact CZ-CD1 3.96Å; F8-I35 HydrophobicContact CZ-CG1 3.95Å; V31-I35 HydrophobicContact CG1-CD1 3.87Å; V31-I35 HydrophobicContact CG1-CG1 4.4Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 PolarHBondContact O-N 3.4Å; N32-I35 PolarHBondContact O-N 3.31Å; A33-I35 VanDerWaalsContact C-N 3.35Å; A33-I35 PolarHBondContact O-N 3.32Å; I35-I39 HydrophobicContact CB-CD1 4.43Å; I35-I39 HydrophobicContact CG1-CD1 3.75Å; I35-I39 PolarHBondContact O-N 3.46Å; I35-L40 HydrophobicContact CG2-CD1 4.13Å; I35-L40 HydrophobicContact CG2-CG 4.11Å; I35-L40 WeakPolarHBondContact O-CB 3.41Å; I35-L40 WeakPolarHBondContact O-CG 3.25Å; I35-L40 PolarHBondContact O-N 2.8Å
36R66.3Low63.5Low184 Ų18461 Ų6169%0.69434%0.34SS*.Iπ-helixtrans-70-34.7-179.7-70175.7-174.5-145.23.1114N32 A33 L34 Q41N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 VanDerWaalsContact O-CG 3.27Å; N32-R36 WeakPolarHBondContact O-CG 3.31Å; N32-R36 PolarHBondContact O-N 3.4Å; A33-R36 PolarHBondContact O-N 2.96Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 3.25Å; R36-Q41 WeakPolarHBondContact O-CG 3.21Å; R36-Q41 PolarHBondContact O-NE2 3.17Å; R36-Q41 VanDerWaalsContact O-NE2 3.08Å
37S60.3Low63.7Low32 Ų3261.1 Ų61.122%0.22433%0.334CS..Iπ-helixtrans-92.2-33-172.963.30000113.5A33 L34 Q41 F49A33-S37 WeakPolarHBondContact O-CB 3.42Å; A33-S37 PolarHBondContact O-N 3.41Å; A33-S37 PolarHBondContact O-OG 3.33Å; L34-S37 PolarHBondContact O-N 3.27Å; S37-Q41 WeakPolarHBondContact O-CB 3.31Å; S37-Q41 WeakPolarHBondContact O-CG 3.47Å; S37-Q41 PolarHBondContact O-OE1 3.38Å; S37-F49 WeakPolarHBondContact OG-CE2 3.37Å; S37-F49 VanDerWaalsContact OG-CZ 3.27Å; S37-F49 WeakPolarHBondContact OG-CZ 3.38Å
38V64Low63.8Low23 Ų2362 Ų6214%0.13935%0.347CS..Iπ-helixtrans-119.3-53.1-170.7-178.30000111.9L34 Q41 E42 F49 Y58L34-V38 HydrophobicContact CD1-CB 3.84Å; L34-V38 HydrophobicContact CD1-CG1 4.42Å; L34-V38 HydrophobicContact CD1-CG2 3.79Å; L34-V38 WeakPolarHBondContact O-CB 3.33Å; L34-V38 PolarHBondContact O-N 2.87Å; V38-Q41 PolarHBondContact O-N 3.19Å; V38-E42 PolarHBondContact O-N 3.2Å; V38-F49 HydrophobicContact CG2-CB 4.31Å; V38-F49 HydrophobicContact CG2-CD2 3.94Å; V38-F49 HydrophobicContact CG2-CG 4.23Å; V38-Y58 HydrophobicContact CG1-CE1 3.68Å; V38-Y58 HydrophobicContact CG1-CE2 4.13Å; V38-Y58 WeakPolarHBondContact CG1-OH 3.47Å
39I65.1Low64Low38 Ų3860.8 Ų60.820%0.19534%0.335CS..Iπ-helixtrans-71.4-46.5-172.6-63.2161.8000111.1F8 L34 I35 Q41 I67F8-I39 HydrophobicContact CE2-CD1 4.09Å; F8-I39 HydrophobicContact CZ-CD1 3.84Å; L34-I39 HydrophobicContact CD2-CD1 4.41Å; L34-I39 HydrophobicContact CG-CD1 4.24Å; L34-I39 PolarHBondContact O-N 3.03Å; I35-I39 HydrophobicContact CB-CD1 4.43Å; I35-I39 HydrophobicContact CG1-CD1 3.75Å; I35-I39 PolarHBondContact O-N 3.46Å; I39-Q41 PolarHBondContact O-N 2.97Å; I39-I67 HydrophobicContact CB-CD1 4.42Å; I39-I67 HydrophobicContact CD1-CD1 3.68Å; I39-I67 HydrophobicContact CD1-CG2 3.88Å; I39-I67 HydrophobicContact CG1-CD1 4.02Å; I39-I67 HydrophobicContact CG2-CD1 3.53Å
40L60.6Low64.1Low113 Ų11363 Ų6359%0.59234%0.342SS*.THydrogen-bonded Turntrans-71.8-16.3176.3-73.4174.6000113.3I35I35-L40 HydrophobicContact CG2-CD1 4.13Å; I35-L40 HydrophobicContact CG2-CG 4.11Å; I35-L40 WeakPolarHBondContact O-CB 3.41Å; I35-L40 WeakPolarHBondContact O-CG 3.25Å; I35-L40 PolarHBondContact O-N 2.8Å
41Q51.7Low64.1Low53 Ų5364.8 Ų64.825%0.24835%0.349CS..THydrogen-bonded Turntrans-96.2-5.4-177.3-53.7-162.58.800113.2R36 S37 V38 I39 R43R36-Q41 WeakPolarHBondContact O-CG 3.21Å; R36-Q41 PolarHBondContact O-NE2 3.17Å; R36-Q41 VanDerWaalsContact O-NE2 3.08Å; S37-Q41 WeakPolarHBondContact O-CB 3.31Å; S37-Q41 WeakPolarHBondContact O-CG 3.47Å; S37-Q41 PolarHBondContact O-OE1 3.38Å; V38-Q41 PolarHBondContact O-N 3.19Å; I39-Q41 PolarHBondContact O-N 2.97Å; Q41-R43 HydrophobicContact CB-CG 4.03Å; Q41-R43 PolarHBondContact O-N 3.4Å
42E57.1Low64.4Low74 Ų7471.9 Ų71.935%0.34638%0.381SS..THydrogen-bonded Turntrans43.625.6-173.5-66.8-163159.700113.7V38 G44 K381 S404 Q407V38-E42 PolarHBondContact O-N 3.2Å; E42-G44 PolarHBondContact O-N 2.99Å; E42-K381 IonicContact OE1-NZ 2.78Å; E42-K381 PolarHBondContact OE1-NZ 3.3Å; E42-K381 IonicContact OE2-NZ 2.64Å; E42-K381 PolarHBondContact OE2-NZ 3.08Å; E42-S404 PolarHBondContact OE2-OG 3.49Å; E42-Q407 PolarHBondContact OE2-OE1 3.02Å
43R49.2Very low64.3Low123 Ų12371.5 Ų71.546%0.46439%0.389SS..  trans-74.894.5-179.8-75.9-179.5172.9-174.4-3.9108Q41 G45Q41-R43 HydrophobicContact CB-CG 4.03Å; Q41-R43 PolarHBondContact O-N 3.4Å; R43-G45 PolarHBondContact O-N 3.18Å
44G44.4Very low64.8Low35 Ų3571.9 Ų71.936%0.36139%0.388SS..  trans-70.638.1-17900000115.5E42 K380E42-G44 PolarHBondContact O-N 2.99Å; G44-K380 PolarHBondContact O-NZ 2.96Å
45G51.7Low65.1Low48 Ų4872.8 Ų72.850%0.49539%0.394SS..SBendtrans-93160.1171.400000112R43 Y58R43-G45 PolarHBondContact O-N 3.18Å; G45-Y58 PolarHBondContact O-OH 3.08Å
46N54.8Low65.6Low145 Ų14570.8 Ų70.878%0.77538%0.384SS*.  trans-17.4127.2-174.4-69.6-15.9000115.7S48N46-S48 PolarHBondContact O-N 3.28Å
47N67.8Low66.6Low89 Ų8963.9 Ų63.948%0.47636%0.359SS..SBendtrans-61.725.6-176.6-67.4-7.3000116K57 Y58N47-K57 VanDerWaalsContact O-CA 3.31Å; N47-K57 WeakPolarHBondContact O-CA 3.45Å; N47-Y58 WeakPolarHBondContact CB-O 3.34Å; N47-Y58 PolarHBondContact O-N 3.48Å; N47-Y58 VanDerWaalsContact O-N 3.14Å
48S69.9Low67.8Low68 Ų6862.9 Ų62.948%0.47635%0.351SS..EExtended strand (participates in β ladder)trans-129.8131.4177.764.70000111.7N46 L56N46-S48 PolarHBondContact O-N 3.28Å; S48-L56 CarbonylContact C-O 3.59Å; S48-L56 VanDerWaalsContact CA-O 3.29Å; S48-L56 WeakPolarHBondContact CA-O 3.35Å
49F74.7Confident68.9Low44 Ų4464.6 Ų64.619%0.19336%0.356CS..EExtended strand (participates in β ladder)trans-125.1137.6175.7176.7-110.6000108.8A33 L34 S37 V38 H51 L56A33-F49 HydrophobicContact CB-CE1 4.11Å; A33-F49 HydrophobicContact CB-CZ 4.43Å; L34-F49 HydrophobicContact CB-CD1 4.02Å; L34-F49 HydrophobicContact CB-CE1 4.37Å; L34-F49 HydrophobicContact CD1-CB 3.61Å; L34-F49 HydrophobicContact CD1-CD1 3.93Å; L34-F49 HydrophobicContact CD1-CG 3.9Å; S37-F49 WeakPolarHBondContact OG-CE2 3.37Å; S37-F49 VanDerWaalsContact OG-CZ 3.27Å; S37-F49 WeakPolarHBondContact OG-CZ 3.38Å; V38-F49 HydrophobicContact CG2-CB 4.31Å; V38-F49 HydrophobicContact CG2-CD2 3.94Å; V38-F49 HydrophobicContact CG2-CG 4.23Å; F49-H51 HydrophobicContact CD1-CB 4.46Å; F49-H51 HydrophobicContact CE1-CB 3.85Å; F49-L56 HydrophobicContact CB-CB 4.36Å; F49-L56 HydrophobicContact CD1-CB 4.46Å; F49-L56 HydrophobicContact CD1-CD1 3.65Å; F49-L56 HydrophobicContact CE1-CD1 4.17Å; F49-L56 PolarHBondContact N-O 3.43Å; F49-L56 WeakPolarHBondContact O-CA 3.46Å; F49-L56 WeakPolarHBondContact O-CB 3.24Å; F49-L56 PolarHBondContact O-N 2.86Å; F49-L56 VanDerWaalsContact O-O 3.09Å
50T74.4Confident69.7Low82 Ų8266.1 Ų66.150%0.50336%0.364SS..EExtended strand (participates in β ladder)trans-112.1130.8178.347.50000109.7
51H70.6Confident70.8Confident57 Ų5761.1 Ų61.126%0.26434%0.338SS..EExtended strand (participates in β ladder)trans-134.2113.1176.8-167.666.6000108.6F49 A53 L54 L56F49-H51 HydrophobicContact CD1-CB 4.46Å; F49-H51 HydrophobicContact CE1-CB 3.85Å; H51-A53 PolarHBondContact O-N 2.83Å; H51-L54 PolarHBondContact N-O 3.46Å; H51-L54 PolarHBondContact O-N 3.36Å; H51-L54 VanDerWaalsContact O-O 3.11Å; H51-L56 HydrophobicContact CB-CD1 4.27Å
52E78.5Confident72.1Confident159 Ų15959.5 Ų59.574%0.74333%0.331SS*.THydrogen-bonded Turntrans55-119.7-177.8-54.9-176.7159.900112.7
53A74.8Confident73.1Confident72 Ų7259 Ų5960%0.59533%0.329SS*.THydrogen-bonded Turntrans-86.9-4.9178.800000113.8H51 K74H51-A53 PolarHBondContact O-N 2.83Å; A53-K74 WeakPolarHBondContact O-CB 3.26Å; A53-K74 PolarHBondContact O-N 2.86Å
54L77.8Confident74.6Confident29 Ų2954.3 Ų54.315%0.15231%0.312CS..EExtended strand (participates in β ladder)trans-105.5136-175-77.7145.4000111.6D3 P30 H51D3-L54 HydrophobicContact CB-CD2 4.28Å; D3-L54 WeakPolarHBondContact OD2-CD2 2.93Å; P30-L54 HydrophobicContact CG-CD1 4.1Å; H51-L54 PolarHBondContact N-O 3.46Å; H51-L54 PolarHBondContact O-N 3.36Å; H51-L54 VanDerWaalsContact O-O 3.11Å
55S80.9Confident76.3Confident19 Ų1957.3 Ų57.313%0.13332%0.317CS..EExtended strand (participates in β ladder)trans-99125.8165.9-70.20000108.7F72S55-F72 PolarHBondContact N-O 2.71Å; S55-F72 PolarHBondContact O-N 2.99Å
56L83.9Confident78Confident0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-106.8128.4177.6-65.7156.5000108.6F4 P30 L34 S48 F49 H51 V69 V70F4-L56 HydrophobicContact CE1-CD2 3.99Å; F4-L56 HydrophobicContact CE2-CD2 4.23Å; F4-L56 HydrophobicContact CZ-CD2 3.36Å; P30-L56 HydrophobicContact CB-CD1 3.94Å; P30-L56 HydrophobicContact CB-CD2 4.47Å; L34-L56 HydrophobicContact CB-CD1 4.36Å; S48-L56 CarbonylContact C-O 3.59Å; S48-L56 VanDerWaalsContact CA-O 3.29Å; S48-L56 WeakPolarHBondContact CA-O 3.35Å; F49-L56 HydrophobicContact CB-CB 4.36Å; F49-L56 HydrophobicContact CD1-CB 4.46Å; F49-L56 HydrophobicContact CD1-CD1 3.65Å; F49-L56 HydrophobicContact CE1-CD1 4.17Å; F49-L56 PolarHBondContact N-O 3.43Å; F49-L56 WeakPolarHBondContact O-CA 3.46Å; F49-L56 WeakPolarHBondContact O-CB 3.24Å; F49-L56 PolarHBondContact O-N 2.86Å; F49-L56 VanDerWaalsContact O-O 3.09Å; H51-L56 HydrophobicContact CB-CD1 4.27Å; L56-V69 HydrophobicContact CD2-CG1 4.06Å; L56-V70 CarbonylContact C-O 3.56Å; L56-V70 VanDerWaalsContact CA-O 3.32Å; L56-V70 WeakPolarHBondContact CA-O 3.39Å
57K86.1Confident79.5Confident38 Ų3848.2 Ų48.217%0.16526%0.257CS..EExtended strand (participates in β ladder)trans-114.5147166.4-75.3-176164.4-165.30109.1N47 V69 V70 F72 V81 D82 I85N47-K57 VanDerWaalsContact O-CA 3.31Å; N47-K57 WeakPolarHBondContact O-CA 3.45Å; K57-V69 WeakPolarHBondContact O-CA 3.46Å; K57-V70 HydrophobicContact CB-CG1 3.74Å; K57-V70 PolarHBondContact N-O 2.68Å; K57-V70 PolarHBondContact O-N 3.28Å; K57-F72 HydrophobicContact CB-CE1 4.47Å; K57-F72 HydrophobicContact CD-CE1 4.05Å; K57-F72 HydrophobicContact CD-CZ 4.2Å; K57-F72 HydrophobicContact CG-CE1 4.04Å; K57-F72 HydrophobicContact CG-CZ 4.36Å; K57-V81 HydrophobicContact CB-CG1 4.27Å; K57-V81 HydrophobicContact CD-CB 4.29Å; K57-V81 HydrophobicContact CD-CG1 3.73Å; K57-D82 WeakPolarHBondContact CD-OD1 3.34Å; K57-D82 WeakPolarHBondContact CE-OD1 3.33Å; K57-D82 IonicContact NZ-OD1 2.78Å; K57-D82 PolarHBondContact NZ-OD1 3.05Å; K57-D82 IonicContact NZ-OD2 3Å; K57-D82 PolarHBondContact NZ-OD2 2.83Å; K57-I85 HydrophobicContact CB-CD1 4.02Å
58Y86.4Confident80.5Confident12 Ų1244 Ų445%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-141.5155.818069.7-83000112.2L34 V38 G45 N47 L60 F68L34-Y58 HydrophobicContact CD1-CD1 3.84Å; L34-Y58 HydrophobicContact CD1-CE1 4.18Å; L34-Y58 HydrophobicContact CD2-CD1 4.47Å; V38-Y58 HydrophobicContact CG1-CE1 3.68Å; V38-Y58 HydrophobicContact CG1-CE2 4.13Å; V38-Y58 WeakPolarHBondContact CG1-OH 3.47Å; G45-Y58 PolarHBondContact O-OH 3.08Å; N47-Y58 WeakPolarHBondContact CB-O 3.34Å; N47-Y58 PolarHBondContact O-N 3.48Å; N47-Y58 VanDerWaalsContact O-N 3.14Å; Y58-L60 HydrophobicContact CD2-CD2 4.26Å; Y58-L60 HydrophobicContact CD2-CG 4.21Å; Y58-L60 HydrophobicContact CE2-CD1 4.39Å; Y58-L60 HydrophobicContact CE2-CG 4.21Å; Y58-F68 CarbonylContact C-O 3.46Å; Y58-F68 WeakPolarHBondContact CA-O 3.25Å; Y58-F68 WeakPolarHBondContact CB-O 3.14Å
59K85.9Confident81.4Confident59 Ų5940.8 Ų40.826%0.25721%0.211SC..EExtended strand (participates in β ladder)trans-136138.3171.7-166.1172.2-177.8-162.50109.7F68 I85 D86K59-F68 PolarHBondContact N-O 3.49Å; K59-F68 PolarHBondContact O-N 2.92Å; K59-I85 HydrophobicContact CB-CG2 3.5Å; K59-I85 VanDerWaalsContact CB-CG2 3.5Å; K59-I85 HydrophobicContact CD-CG2 4.07Å; K59-I85 HydrophobicContact CG-CG2 4.42Å; K59-D86 VanDerWaalsContact CD-OD1 3.3Å; K59-D86 WeakPolarHBondContact CD-OD1 3.41Å; K59-D86 VanDerWaalsContact CE-OD1 3.32Å; K59-D86 WeakPolarHBondContact CE-OD1 3.41Å; K59-D86 IonicContact NZ-OD1 3.76Å; K59-D86 PolarHBondContact NZ-OD1 2.89Å
60L82.8Confident82.1Confident70 Ų7038.7 Ų38.737%0.36620%0.202SC..EExtended strand (participates in β ladder)trans-100.1135.8-179.7-59.5174.8000109.3Y58 I67Y58-L60 HydrophobicContact CD2-CD2 4.26Å; Y58-L60 HydrophobicContact CD2-CG 4.21Å; Y58-L60 HydrophobicContact CE2-CD1 4.39Å; Y58-L60 HydrophobicContact CE2-CG 4.21Å; L60-I67 HydrophobicContact CD2-CB 4.3Å; L60-I67 HydrophobicContact CD2-CD1 3.96Å; L60-I67 HydrophobicContact CD2-CG1 3.73Å; L60-I67 HydrophobicContact CD2-CG2 3.96Å
61D83.5Confident82.7Confident7 Ų734.8 Ų34.84%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-111.2109.9167.3-168.9-34.5000108.1E63 F64 E65 L66 F68 Q89D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 PolarHBondContact OD1-N 3.27Å; D61-E63 VanDerWaalsContact OD1-N 3.08Å; D61-F64 PolarHBondContact OD1-N 3.08Å; D61-E65 CarbonylContact O-C 3.38Å; D61-E65 WeakPolarHBondContact O-CA 3.34Å; D61-E65 PolarHBondContact O-N 2.93Å; D61-E65 VanDerWaalsContact O-N 3.1Å; D61-L66 HydrophobicContact CB-CB 4.01Å; D61-L66 PolarHBondContact N-O 3.46Å; D61-L66 PolarHBondContact O-N 3.39Å; D61-F68 HydrophobicContact CB-CE2 3.93Å; D61-Q89 PolarHBondContact OD2-NE2 3.3Å; D61-Q89 VanDerWaalsContact OD2-NE2 3.09Å
62N78.7Confident83.4Confident20 Ų2032.6 Ų32.611%0.10717%0.168CC..THydrogen-bonded Turntrans-88.3-18.3-176.4-62.5-50000112.9K10 K380 K385K10-N62 WeakPolarHBondContact CE-OD1 3.28Å; K10-N62 PolarHBondContact NZ-OD1 3.37Å; N62-K380 PolarHBondContact ND2-O 2.95Å; N62-K385 HydrophobicContact CB-CG 4.44Å; N62-K385 WeakPolarHBondContact O-CE 3.47Å
63E78.3Confident83.5Confident64 Ų6429.6 Ų29.630%0.29915%0.154SC..THydrogen-bonded Turntrans-67.6-48.5177-177.3179.8-172.900109.6D61 R93 G384D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 PolarHBondContact OD1-N 3.27Å; D61-E63 VanDerWaalsContact OD1-N 3.08Å; E63-R93 IonicContact OE2-NH1 2.9Å; E63-R93 PolarHBondContact OE2-NH1 2.89Å; E63-G384 WeakPolarHBondContact CG-O 2.78Å
64F80.3Confident83.4Confident23 Ų2332.3 Ų32.310%0.10115%0.152CC..THydrogen-bonded Turntrans-105.46.8-178.9-63-66.1000114.4D61 L66 R93 K97 L100 E101D61-F64 PolarHBondContact OD1-N 3.08Å; F64-L66 VanDerWaalsContact C-N 3.32Å; F64-L66 HydrophobicContact CB-CD1 4.1Å; F64-L66 HydrophobicContact CB-CG 3.93Å; F64-L66 PolarHBondContact O-N 2.91Å; F64-R93 HydrophobicContact CD2-CG 3.61Å; F64-R93 HydrophobicContact CE2-CG 3.34Å; F64-R93 HydrophobicContact CZ-CG 4.35Å; F64-K97 HydrophobicContact CZ-CG 4.2Å; F64-L100 HydrophobicContact CB-CB 4.2Å; F64-L100 HydrophobicContact CB-CD1 4.38Å; F64-L100 HydrophobicContact CD1-CB 3.45Å; F64-L100 VanDerWaalsContact CD1-CB 3.45Å; F64-L100 HydrophobicContact CE1-CB 4.05Å; F64-L100 HydrophobicContact CG-CB 3.92Å; F64-L100 HydrophobicContact CG-CD1 4.27Å; F64-E101 HydrophobicContact CE1-CG 3.58Å; F64-E101 HydrophobicContact CZ-CG 4.2Å
65E80.9Confident82.8Confident99 Ų9938 Ų3846%0.46318%0.181SC..THydrogen-bonded Turntrans53.445.9-177.7-55.5-165.9139.900113.1S9 K10 D61 K385S9-E65 CarbonylContact C-O 3.58Å; S9-E65 WeakPolarHBondContact CA-O 3.44Å; K10-E65 HydrophobicContact CB-CB 4.2Å; K10-E65 HydrophobicContact CD-CB 4.1Å; K10-E65 HydrophobicContact CG-CB 4.16Å; K10-E65 PolarHBondContact N-O 3.13Å; D61-E65 CarbonylContact O-C 3.38Å; D61-E65 WeakPolarHBondContact O-CA 3.34Å; D61-E65 PolarHBondContact O-N 2.93Å; D61-E65 VanDerWaalsContact O-N 3.1Å; E65-K385 IonicContact OE1-NZ 3.05Å
66L86Confident82.1Confident1 Ų140 Ų401%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-108.1155.4179.8-54.5-179.8000112.4L15 D61 F64 F68 F92 L100L15-L66 HydrophobicContact CD1-CD2 3.4Å; L15-L66 VanDerWaalsContact CD1-CD2 3.4Å; D61-L66 HydrophobicContact CB-CB 4.01Å; D61-L66 PolarHBondContact N-O 3.46Å; D61-L66 PolarHBondContact O-N 3.39Å; F64-L66 VanDerWaalsContact C-N 3.32Å; F64-L66 HydrophobicContact CB-CD1 4.1Å; F64-L66 HydrophobicContact CB-CG 3.93Å; F64-L66 PolarHBondContact O-N 2.91Å; L66-F68 HydrophobicContact CB-CE2 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.32Å; L66-F68 HydrophobicContact CD1-CE2 4.39Å; L66-F68 HydrophobicContact CD1-CZ 4.13Å; L66-F92 HydrophobicContact CD1-CD1 4.13Å; L66-F92 HydrophobicContact CD1-CE1 4.05Å; L66-L100 HydrophobicContact CD1-CD1 3.81Å; L66-L100 HydrophobicContact CD1-CD2 3.89Å; L66-L100 HydrophobicContact CD2-CD2 4Å; L66-L100 HydrophobicContact CG-CD2 4.36Å
67I87.1Confident81.3Confident1 Ų146.1 Ų46.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-129.9122.7176.3-51.8-172.1000108I7 F8 K10 I39 L60 V69I7-I67 WeakPolarHBondContact CA-O 3.44Å; F8-I67 HydrophobicContact CD2-CB 4.14Å; F8-I67 HydrophobicContact CD2-CD1 4.35Å; F8-I67 HydrophobicContact CE1-CB 4.38Å; F8-I67 HydrophobicContact CE1-CG2 4.2Å; F8-I67 HydrophobicContact CE2-CB 3.84Å; F8-I67 HydrophobicContact CE2-CD1 3.73Å; F8-I67 HydrophobicContact CE2-CG1 4.21Å; F8-I67 HydrophobicContact CE2-CG2 4.05Å; F8-I67 HydrophobicContact CZ-CB 3.96Å; F8-I67 HydrophobicContact CZ-CD1 4.37Å; F8-I67 HydrophobicContact CZ-CG2 3.72Å; F8-I67 PolarHBondContact N-O 3.42Å; F8-I67 PolarHBondContact O-N 3.41Å; K10-I67 HydrophobicContact CG-CD1 4.1Å; K10-I67 HydrophobicContact CG-CG1 4.1Å; I39-I67 HydrophobicContact CB-CD1 4.42Å; I39-I67 HydrophobicContact CD1-CD1 3.68Å; I39-I67 HydrophobicContact CD1-CG2 3.88Å; I39-I67 HydrophobicContact CG1-CD1 4.02Å; I39-I67 HydrophobicContact CG2-CD1 3.53Å; L60-I67 HydrophobicContact CD2-CB 4.3Å; L60-I67 HydrophobicContact CD2-CD1 3.96Å; L60-I67 HydrophobicContact CD2-CG1 3.73Å; L60-I67 HydrophobicContact CD2-CG2 3.96Å; I67-V69 HydrophobicContact CG2-CG2 3.75Å
68F89Confident80.7Confident0 Ų045.5 Ų45.50%023%0.226CC..EExtended strand (participates in β ladder)trans-103.6120.7176.2-61.2-99000107.7F5 I7 Y58 K59 D61 L66 I85 V88 Q89 F92F5-F68 HydrophobicContact CE1-CD1 4.16Å; F5-F68 HydrophobicContact CZ-CB 4.23Å; F5-F68 HydrophobicContact CZ-CD1 4.22Å; I7-F68 HydrophobicContact CD1-CD1 3.9Å; I7-F68 HydrophobicContact CD1-CE1 3.71Å; I7-F68 HydrophobicContact CG1-CD1 3.71Å; I7-F68 HydrophobicContact CG1-CE1 3.94Å; I7-F68 HydrophobicContact CG2-CD1 4.21Å; I7-F68 HydrophobicContact CG2-CE1 3.95Å; I7-F68 HydrophobicContact CG2-CZ 4.25Å; Y58-F68 CarbonylContact C-O 3.46Å; Y58-F68 WeakPolarHBondContact CA-O 3.25Å; Y58-F68 WeakPolarHBondContact CB-O 3.14Å; K59-F68 PolarHBondContact N-O 3.49Å; K59-F68 PolarHBondContact O-N 2.92Å; D61-F68 HydrophobicContact CB-CE2 3.93Å; L66-F68 HydrophobicContact CB-CE2 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.32Å; L66-F68 HydrophobicContact CD1-CE2 4.39Å; L66-F68 HydrophobicContact CD1-CZ 4.13Å; F68-I85 HydrophobicContact CB-CG2 3.97Å; F68-V88 HydrophobicContact CD1-CG1 4.27Å; F68-V88 HydrophobicContact CE1-CG1 4.43Å; F68-Q89 HydrophobicContact CD1-CB 4.46Å; F68-Q89 HydrophobicContact CD2-CB 4.44Å; F68-Q89 HydrophobicContact CD2-CG 4.28Å; F68-Q89 HydrophobicContact CE1-CB 4.19Å; F68-Q89 HydrophobicContact CE1-CG 4.49Å; F68-Q89 HydrophobicContact CE2-CB 4.18Å; F68-Q89 HydrophobicContact CE2-CG 3.73Å; F68-Q89 HydrophobicContact CZ-CB 4.06Å; F68-Q89 HydrophobicContact CZ-CG 3.85Å; F68-F92 HydrophobicContact CE1-CB 4.12Å; F68-F92 HydrophobicContact CE1-CD1 4.39Å; F68-F92 HydrophobicContact CE1-CG 4.32Å; F68-F92 HydrophobicContact CZ-CB 4.5Å; F68-F92 HydrophobicContact CZ-CD1 4.35Å
69V88.9Confident80.3Confident0 Ų050.8 Ų50.80%026%0.26CS..EExtended strand (participates in β ladder)trans-126.2133.6-179-177.30000109.5F4 F5 T6 F8 L34 L56 K57 I67F4-V69 HydrophobicContact CE2-CG1 4.43Å; F5-V69 CarbonylContact C-O 3.53Å; F5-V69 WeakPolarHBondContact CA-O 3.32Å; T6-V69 HydrophobicContact CG2-CB 3.81Å; T6-V69 HydrophobicContact CG2-CG2 4.47Å; T6-V69 PolarHBondContact N-O 3.49Å; T6-V69 PolarHBondContact O-N 3Å; F8-V69 HydrophobicContact CE1-CB 4.33Å; F8-V69 HydrophobicContact CE1-CG2 3.52Å; F8-V69 HydrophobicContact CZ-CG2 3.88Å; L34-V69 HydrophobicContact CD2-CB 4.25Å; L34-V69 HydrophobicContact CD2-CG1 3.52Å; L34-V69 HydrophobicContact CD2-CG2 3.63Å; L56-V69 HydrophobicContact CD2-CG1 4.06Å; K57-V69 WeakPolarHBondContact O-CA 3.46Å; I67-V69 HydrophobicContact CG2-CG2 3.75Å
70V88.5Confident80.2Confident0 Ų049.2 Ų49.20%025%0.252CS..EExtended strand (participates in β ladder)trans-125134.6174.7640000110.1L2 F5 L56 K57 V81 I85L2-V70 HydrophobicContact CD1-CG2 4.07Å; L2-V70 HydrophobicContact CD2-CG2 3.64Å; L2-V70 HydrophobicContact CG-CG2 4.38Å; F5-V70 HydrophobicContact CD2-CB 3.67Å; F5-V70 HydrophobicContact CD2-CG2 3.83Å; F5-V70 HydrophobicContact CE2-CB 4.02Å; F5-V70 HydrophobicContact CE2-CG2 4.48Å; L56-V70 CarbonylContact C-O 3.56Å; L56-V70 VanDerWaalsContact CA-O 3.32Å; L56-V70 WeakPolarHBondContact CA-O 3.39Å; K57-V70 HydrophobicContact CB-CG1 3.74Å; K57-V70 PolarHBondContact N-O 2.68Å; K57-V70 PolarHBondContact O-N 3.28Å; V70-V81 HydrophobicContact CG1-CG1 3.48Å; V70-V81 VanDerWaalsContact CG1-CG1 3.48Å; V70-I85 HydrophobicContact CG1-CD1 3.58Å; V70-I85 HydrophobicContact CG1-CG1 3.95Å
71G87.2Confident80.3Confident0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-113.9134.3175.400000111.5D3 F4D3-G71 PolarHBondContact N-O 3.48Å; D3-G71 VanDerWaalsContact N-O 3.08Å; F4-G71 PolarHBondContact N-O 2.72Å; F4-G71 PolarHBondContact O-N 3.17Å
72F84.8Confident80.3Confident12 Ų1249.4 Ų49.45%0.05325%0.254CS..EExtended strand (participates in β ladder)trans-148.4152.2174.358.9-86000111.3L2 D3 S55 K57 K74 L76 L78 V81L2-F72 HydrophobicContact CD2-CB 4.21Å; D3-F72 VanDerWaalsContact OD2-C 3.32Å; D3-F72 VanDerWaalsContact OD2-CA 3.26Å; D3-F72 WeakPolarHBondContact OD2-CA 3.46Å; S55-F72 PolarHBondContact N-O 2.71Å; S55-F72 PolarHBondContact O-N 2.99Å; K57-F72 HydrophobicContact CB-CE1 4.47Å; K57-F72 HydrophobicContact CD-CE1 4.05Å; K57-F72 HydrophobicContact CD-CZ 4.2Å; K57-F72 HydrophobicContact CG-CE1 4.04Å; K57-F72 HydrophobicContact CG-CZ 4.36Å; F72-K74 PolarHBondContact O-N 3.41Å; F72-L76 WeakPolarHBondContact CE2-O 3.22Å; F72-L78 HydrophobicContact CB-CD1 3.72Å; F72-L78 HydrophobicContact CD1-CD1 4.44Å; F72-L78 HydrophobicContact CD2-CD1 3.9Å; F72-L78 HydrophobicContact CD2-CG 4.18Å; F72-L78 HydrophobicContact CG-CD1 3.77Å; F72-V81 HydrophobicContact CD1-CG2 4.36Å; F72-V81 HydrophobicContact CE1-CG1 4.11Å; F72-V81 HydrophobicContact CE1-CG2 4.21Å
73Q81.2Confident80.7Confident96 Ų9654.5 Ų54.545%0.44928%0.275SS..EExtended strand (participates in β ladder)trans-56.9134.5179-58.5-172.8-7.300112.7D3 I75 L76D3-Q73 VanDerWaalsContact OD2-CG 3.24Å; D3-Q73 WeakPolarHBondContact OD2-CG 3.11Å; D3-Q73 PolarHBondContact OD2-N 3.48Å; Q73-I75 HydrophobicContact CB-CG2 4.25Å; Q73-I75 PolarHBondContact O-N 3.26Å; Q73-I75 VanDerWaalsContact O-N 3.11Å; Q73-L76 HydrophobicContact CB-CD1 4.44Å; Q73-L76 HydrophobicContact CB-CG 4.44Å; Q73-L76 PolarHBondContact O-N 3.32Å
74K72.8Confident81.2Confident129 Ų12951.5 Ų51.556%0.56126%0.261SS*.THydrogen-bonded Turntrans-58.7-27-177.3-174.2177.7180-177.70114A53 F72 L76A53-K74 WeakPolarHBondContact O-CB 3.26Å; A53-K74 PolarHBondContact O-N 2.86Å; F72-K74 PolarHBondContact O-N 3.41Å; K74-L76 PolarHBondContact O-N 2.86Å
75I65.6Low81.6Confident147 Ų14750.6 Ų50.675%0.75426%0.257SS*.THydrogen-bonded Turntrans-70.7-16.3178.3-162.8147.4000113.2Q73Q73-I75 HydrophobicContact CB-CG2 4.25Å; Q73-I75 PolarHBondContact O-N 3.26Å; Q73-I75 VanDerWaalsContact O-N 3.11Å
76L67Low81.9Confident62 Ų6249 Ų4933%0.32525%0.252SS..  trans-97.2115.4-179.8-59.3178.9000110.7F72 Q73 K74 L78F72-L76 WeakPolarHBondContact CE2-O 3.22Å; Q73-L76 HydrophobicContact CB-CD1 4.44Å; Q73-L76 HydrophobicContact CB-CG 4.44Å; Q73-L76 PolarHBondContact O-N 3.32Å; K74-L76 PolarHBondContact O-N 2.86Å; L76-L78 HydrophobicContact CB-CD2 4.07Å; L76-L78 HydrophobicContact CB-CG 4.02Å; L76-L78 PolarHBondContact O-N 3.16Å; L76-L78 VanDerWaalsContact O-N 3.14Å
77T66.4Low82Confident129 Ų12952 Ų5279%0.79127%0.267SS*.  trans-84.680.6169.856.30000109.9T79T77-T79 PolarHBondContact O-N 3.43Å
78L73.9Confident82.2Confident24 Ų2451.9 Ų51.913%0.12627%0.267CS..  trans-81.297.6179.5-55.9177.8000110.4L2 F72 L76 Y80 V81L2-L78 HydrophobicContact CD2-CD1 3.74Å; F72-L78 HydrophobicContact CB-CD1 3.72Å; F72-L78 HydrophobicContact CD1-CD1 4.44Å; F72-L78 HydrophobicContact CD2-CD1 3.9Å; F72-L78 HydrophobicContact CD2-CG 4.18Å; F72-L78 HydrophobicContact CG-CD1 3.77Å; L76-L78 HydrophobicContact CB-CD2 4.07Å; L76-L78 HydrophobicContact CB-CG 4.02Å; L76-L78 PolarHBondContact O-N 3.16Å; L76-L78 VanDerWaalsContact O-N 3.14Å; L78-Y80 VanDerWaalsContact C-N 3.27Å; L78-Y80 HydrophobicContact CB-CD1 4.32Å; L78-Y80 HydrophobicContact CB-CE1 3.91Å; L78-Y80 HydrophobicContact CD1-CE1 4.5Å; L78-Y80 HydrophobicContact CD2-CE1 3.65Å; L78-Y80 HydrophobicContact CG-CE1 4.21Å; L78-Y80 PolarHBondContact O-N 3.36Å; L78-V81 HydrophobicContact CB-CG2 3.39Å; L78-V81 HydrophobicContact CD1-CG2 4.01Å; L78-V81 HydrophobicContact CG-CG2 4.36Å
79T78.2Confident82.1Confident123 Ų12353.1 Ų53.176%0.75527%0.273SS*.THydrogen-bonded Turntrans-72.3-16.9-178.652.30000114.1T77T77-T79 PolarHBondContact O-N 3.43Å
80Y83.4Confident82.1Confident27 Ų2757.1 Ų57.111%0.10629%0.294CS..THydrogen-bonded Turntrans-84.7-10.6-179.662.7-95.4000113.7L78 D82 K83 F84 A126L78-Y80 VanDerWaalsContact C-N 3.27Å; L78-Y80 HydrophobicContact CB-CD1 4.32Å; L78-Y80 HydrophobicContact CB-CE1 3.91Å; L78-Y80 HydrophobicContact CD1-CE1 4.5Å; L78-Y80 HydrophobicContact CD2-CE1 3.65Å; L78-Y80 HydrophobicContact CG-CE1 4.21Å; L78-Y80 PolarHBondContact O-N 3.36Å; Y80-D82 PolarHBondContact O-N 2.66Å; Y80-K83 PolarHBondContact O-N 3.16Å; Y80-F84 HydrophobicContact CD2-CB 4.27Å; Y80-F84 VanDerWaalsContact O-CB 3.25Å; Y80-F84 WeakPolarHBondContact O-CB 3.25Å; Y80-F84 PolarHBondContact O-N 2.91Å; Y80-A126 HydrophobicContact CD2-CB 4.03Å
81V84.9Confident82Confident0 Ų059.9 Ų59.90%031%0.307CS..Hα-helixtrans-63.6-41-168.1173.30000112.7L2 K57 V70 F72 L78 F84 I85L2-V81 HydrophobicContact CD2-CG2 4.18Å; K57-V81 HydrophobicContact CB-CG1 4.27Å; K57-V81 HydrophobicContact CD-CB 4.29Å; K57-V81 HydrophobicContact CD-CG1 3.73Å; V70-V81 HydrophobicContact CG1-CG1 3.48Å; V70-V81 VanDerWaalsContact CG1-CG1 3.48Å; F72-V81 HydrophobicContact CD1-CG2 4.36Å; F72-V81 HydrophobicContact CE1-CG1 4.11Å; F72-V81 HydrophobicContact CE1-CG2 4.21Å; L78-V81 HydrophobicContact CB-CG2 3.39Å; L78-V81 HydrophobicContact CD1-CG2 4.01Å; L78-V81 HydrophobicContact CG-CG2 4.36Å; V81-F84 PolarHBondContact O-N 3.1Å; V81-I85 HydrophobicContact CG1-CD1 3.9Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 VanDerWaalsContact O-CG1 3.28Å; V81-I85 WeakPolarHBondContact O-CG1 3.43Å; V81-I85 PolarHBondContact O-N 2.86Å
82D83.6Confident82.1Confident80 Ų8059.9 Ų59.943%0.42831%0.307SS..Hα-helixtrans-64.2-50.1-177.3-60.4-39.6000110.8K57 Y80 F84 I85 D86K57-D82 WeakPolarHBondContact CD-OD1 3.34Å; K57-D82 WeakPolarHBondContact CE-OD1 3.33Å; K57-D82 IonicContact NZ-OD1 2.78Å; K57-D82 PolarHBondContact NZ-OD1 3.05Å; K57-D82 IonicContact NZ-OD2 3Å; K57-D82 PolarHBondContact NZ-OD2 2.83Å; Y80-D82 PolarHBondContact O-N 2.66Å; D82-F84 VanDerWaalsContact C-N 3.29Å; D82-F84 PolarHBondContact O-N 3.35Å; D82-I85 PolarHBondContact O-N 3.09Å; D82-D86 VanDerWaalsContact O-CG 3.28Å; D82-D86 PolarHBondContact O-N 3.26Å; D82-D86 VanDerWaalsContact O-N 3.16Å
83K86.1Confident82.1Confident127 Ų12763.1 Ų63.155%0.55232%0.319SS*.Hα-helixtrans-61-39.3174.7-172.1-174.6174.1-168.40111.9Y80 I85 D86 D87Y80-K83 PolarHBondContact O-N 3.16Å; K83-I85 PolarHBondContact O-N 3.15Å; K83-D86 WeakPolarHBondContact O-CB 3.42Å; K83-D86 PolarHBondContact O-N 3.4Å; K83-D86 VanDerWaalsContact O-N 3.16Å; K83-D87 PolarHBondContact O-N 3.22Å
84F89.4Confident82.3Confident2 Ų262.9 Ų62.91%0.00932%0.32CS..Hα-helixtrans-62.8-41.8179173.2-111.2000112.4L2 F5 Y80 V81 D82 D86 D87 V88 F119 L122 L123 A126L2-F84 HydrophobicContact CD1-CD1 3.93Å; L2-F84 HydrophobicContact CD1-CE1 3.45Å; L2-F84 VanDerWaalsContact CD1-CE1 3.45Å; L2-F84 HydrophobicContact CD1-CZ 4.16Å; F5-F84 AromaticContact CD2-CE1 3.89Å; F5-F84 HydrophobicContact CD2-CE1 3.89Å; F5-F84 HydrophobicContact CE2-CD1 4.35Å; F5-F84 AromaticContact CE2-CE1 3.91Å; F5-F84 HydrophobicContact CE2-CE1 3.91Å; Y80-F84 HydrophobicContact CD2-CB 4.27Å; Y80-F84 VanDerWaalsContact O-CB 3.25Å; Y80-F84 WeakPolarHBondContact O-CB 3.25Å; Y80-F84 PolarHBondContact O-N 2.91Å; V81-F84 PolarHBondContact O-N 3.1Å; D82-F84 VanDerWaalsContact C-N 3.29Å; D82-F84 PolarHBondContact O-N 3.35Å; F84-D86 VanDerWaalsContact C-N 3.28Å; F84-D86 PolarHBondContact O-N 2.89Å; F84-D87 PolarHBondContact O-N 2.84Å; F84-V88 HydrophobicContact CD2-CG2 4.13Å; F84-V88 HydrophobicContact CE1-CG2 4.15Å; F84-V88 HydrophobicContact CE2-CG2 3.64Å; F84-V88 HydrophobicContact CZ-CG2 3.68Å; F84-V88 WeakPolarHBondContact O-CB 3.37Å; F84-V88 VanDerWaalsContact O-CG2 3.31Å; F84-V88 WeakPolarHBondContact O-CG2 3.48Å; F84-V88 PolarHBondContact O-N 3.05Å; F84-F119 AromaticContact CE1-CE2 3.82Å; F84-F119 HydrophobicContact CE1-CE2 3.82Å; F84-F119 AromaticContact CE1-CZ 3.97Å; F84-F119 HydrophobicContact CE1-CZ 3.97Å; F84-F119 HydrophobicContact CZ-CD2 4.02Å; F84-F119 HydrophobicContact CZ-CE1 4.41Å; F84-F119 AromaticContact CZ-CE2 3.4Å; F84-F119 HydrophobicContact CZ-CE2 3.4Å; F84-F119 VanDerWaalsContact CZ-CE2 3.4Å; F84-F119 AromaticContact CZ-CZ 3.63Å; F84-F119 HydrophobicContact CZ-CZ 3.63Å; F84-L122 HydrophobicContact CE2-CB 3.95Å; F84-L123 HydrophobicContact CE1-CD1 4.44Å; F84-L123 HydrophobicContact CE2-CB 4.06Å; F84-L123 HydrophobicContact CE2-CD1 4.34Å; F84-L123 HydrophobicContact CZ-CB 4.08Å; F84-L123 HydrophobicContact CZ-CD1 4.07Å; F84-A126 HydrophobicContact CB-CB 4.24Å; F84-A126 HydrophobicContact CD2-CB 3.8Å; F84-A126 HydrophobicContact CG-CB 4.31Å
85I88.5Confident83Confident4 Ų462.5 Ų62.52%0.02132%0.315CS..Hα-helixtrans-62.3-39.9174.2-62162.4000110.1F5 K57 K59 F68 V70 V81 D82 K83 V88 Q89F5-I85 HydrophobicContact CE2-CG1 4.18Å; K57-I85 HydrophobicContact CB-CD1 4.02Å; K59-I85 HydrophobicContact CB-CG2 3.5Å; K59-I85 VanDerWaalsContact CB-CG2 3.5Å; K59-I85 HydrophobicContact CD-CG2 4.07Å; K59-I85 HydrophobicContact CG-CG2 4.42Å; F68-I85 HydrophobicContact CB-CG2 3.97Å; V70-I85 HydrophobicContact CG1-CD1 3.58Å; V70-I85 HydrophobicContact CG1-CG1 3.95Å; V81-I85 HydrophobicContact CG1-CD1 3.9Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 VanDerWaalsContact O-CG1 3.28Å; V81-I85 WeakPolarHBondContact O-CG1 3.43Å; V81-I85 PolarHBondContact O-N 2.86Å; D82-I85 PolarHBondContact O-N 3.09Å; K83-I85 PolarHBondContact O-N 3.15Å; I85-V88 PolarHBondContact O-N 3.07Å; I85-Q89 WeakPolarHBondContact O-CB 3.33Å; I85-Q89 PolarHBondContact O-N 3.47Å
86D86.9Confident83.9Confident66 Ų6656.3 Ų56.335%0.35328%0.283SS..Hα-helixtrans-61.4-47.4177.4-60.5-24.4000111.9K59 D82 K83 F84 Q89 L90K59-D86 VanDerWaalsContact CD-OD1 3.3Å; K59-D86 WeakPolarHBondContact CD-OD1 3.41Å; K59-D86 VanDerWaalsContact CE-OD1 3.32Å; K59-D86 WeakPolarHBondContact CE-OD1 3.41Å; K59-D86 IonicContact NZ-OD1 3.76Å; K59-D86 PolarHBondContact NZ-OD1 2.89Å; D82-D86 VanDerWaalsContact O-CG 3.28Å; D82-D86 PolarHBondContact O-N 3.26Å; D82-D86 VanDerWaalsContact O-N 3.16Å; K83-D86 WeakPolarHBondContact O-CB 3.42Å; K83-D86 PolarHBondContact O-N 3.4Å; K83-D86 VanDerWaalsContact O-N 3.16Å; F84-D86 VanDerWaalsContact C-N 3.28Å; F84-D86 PolarHBondContact O-N 2.89Å; D86-Q89 PolarHBondContact O-N 3.13Å; D86-L90 WeakPolarHBondContact O-CB 3.49Å; D86-L90 PolarHBondContact O-N 3.4Å
87D88.7Confident84.6Confident62 Ų6257.7 Ų57.733%0.33229%0.286SS..Hα-helixtrans-64.5-41.3179.6-66.9-26000111K83 F84 H91K83-D87 PolarHBondContact O-N 3.22Å; F84-D87 PolarHBondContact O-N 2.84Å; D87-H91 WeakPolarHBondContact O-CB 3.32Å; D87-H91 PolarHBondContact O-CD2 3.42Å; D87-H91 VanDerWaalsContact O-CD2 3.27Å; D87-H91 PolarHBondContact O-N 3.31Å; D87-H91 VanDerWaalsContact O-N 3.08Å
88V90.4Very high85.2Confident0 Ų056.9 Ų56.90%028%0.277CS..Hα-helixtrans-64.6-45.5175.4168.20000111.3F5 I7 F68 F84 I85 L90 H91 F92 F115 F119 L122F5-V88 HydrophobicContact CE1-CG1 3.77Å; F5-V88 HydrophobicContact CE2-CG1 4.48Å; F5-V88 HydrophobicContact CZ-CB 4.11Å; F5-V88 HydrophobicContact CZ-CG1 3.58Å; F5-V88 HydrophobicContact CZ-CG2 4.48Å; I7-V88 HydrophobicContact CD1-CG1 4.37Å; F68-V88 HydrophobicContact CD1-CG1 4.27Å; F68-V88 HydrophobicContact CE1-CG1 4.43Å; F84-V88 HydrophobicContact CD2-CG2 4.13Å; F84-V88 HydrophobicContact CE1-CG2 4.15Å; F84-V88 HydrophobicContact CE2-CG2 3.64Å; F84-V88 HydrophobicContact CZ-CG2 3.68Å; F84-V88 WeakPolarHBondContact O-CB 3.37Å; F84-V88 VanDerWaalsContact O-CG2 3.31Å; F84-V88 WeakPolarHBondContact O-CG2 3.48Å; F84-V88 PolarHBondContact O-N 3.05Å; I85-V88 PolarHBondContact O-N 3.07Å; V88-L90 PolarHBondContact O-N 2.8Å; V88-H91 PolarHBondContact O-N 2.93Å; V88-F92 WeakPolarHBondContact O-CB 3.28Å; V88-F92 PolarHBondContact O-N 2.89Å; V88-F115 HydrophobicContact CG1-CE1 3.92Å; V88-F119 HydrophobicContact CG2-CD2 4.06Å; V88-F119 HydrophobicContact CG2-CE2 4.24Å; V88-L122 HydrophobicContact CG2-CD1 4Å
89Q88.2Confident85.5Confident25 Ų2558.6 Ų58.612%0.11728%0.284CS..Hα-helixtrans-57.3-50.1177.9178.3-176.414.700110.7D61 F68 I85 D86 H91 F92 R93D61-Q89 PolarHBondContact OD2-NE2 3.3Å; D61-Q89 VanDerWaalsContact OD2-NE2 3.09Å; F68-Q89 HydrophobicContact CD1-CB 4.46Å; F68-Q89 HydrophobicContact CD2-CB 4.44Å; F68-Q89 HydrophobicContact CD2-CG 4.28Å; F68-Q89 HydrophobicContact CE1-CB 4.19Å; F68-Q89 HydrophobicContact CE1-CG 4.49Å; F68-Q89 HydrophobicContact CE2-CB 4.18Å; F68-Q89 HydrophobicContact CE2-CG 3.73Å; F68-Q89 HydrophobicContact CZ-CB 4.06Å; F68-Q89 HydrophobicContact CZ-CG 3.85Å; I85-Q89 WeakPolarHBondContact O-CB 3.33Å; I85-Q89 PolarHBondContact O-N 3.47Å; D86-Q89 PolarHBondContact O-N 3.13Å; Q89-H91 PolarHBondContact O-N 2.91Å; Q89-F92 PolarHBondContact O-N 3.02Å; Q89-R93 WeakPolarHBondContact O-CB 3.36Å; Q89-R93 PolarHBondContact O-N 2.86Å
90L87.7Confident85.4Confident84 Ų8453.7 Ų53.744%0.4425%0.253SS..Hα-helixtrans-61.7-47.2-177.7-167.2148000111.1D86 V88 R93 D94D86-L90 WeakPolarHBondContact O-CB 3.49Å; D86-L90 PolarHBondContact O-N 3.4Å; V88-L90 PolarHBondContact O-N 2.8Å; L90-R93 PolarHBondContact O-N 2.91Å; L90-D94 WeakPolarHBondContact CD2-OD2 3.37Å; L90-D94 WeakPolarHBondContact O-CB 3.25Å; L90-D94 PolarHBondContact O-N 2.87Å
91H88Confident84.8Confident58 Ų5857.4 Ų57.427%0.26927%0.271SS..Hα-helixtrans-68.5-35178.9-83.8-59.8000114.2D87 V88 Q89 R95 F115 L122D87-H91 WeakPolarHBondContact O-CB 3.32Å; D87-H91 PolarHBondContact O-CD2 3.42Å; D87-H91 VanDerWaalsContact O-CD2 3.27Å; D87-H91 PolarHBondContact O-N 3.31Å; D87-H91 VanDerWaalsContact O-N 3.08Å; V88-H91 PolarHBondContact O-N 2.93Å; Q89-H91 PolarHBondContact O-N 2.91Å; H91-R95 VanDerWaalsContact O-CB 3.28Å; H91-R95 WeakPolarHBondContact O-CB 3.47Å; H91-R95 PolarHBondContact O-N 2.94Å; H91-F115 HydrophobicContact CB-CE2 4.32Å; H91-F115 HydrophobicContact CB-CZ 4Å; H91-L122 HydrophobicContact CB-CD1 4.09Å
92F88.8Confident83.9Confident0 Ų062.1 Ų62.10%029%0.293CS..Hα-helixtrans-68.5-45.4177.2-169.1-89000110.5I7 L15 W16 L66 F68 V88 Q89 R95 Y96 L100 F113 F115I7-F92 HydrophobicContact CD1-CB 4.49Å; I7-F92 HydrophobicContact CD1-CD1 4.42Å; I7-F92 HydrophobicContact CD1-CD2 3.45Å; I7-F92 VanDerWaalsContact CD1-CD2 3.45Å; I7-F92 HydrophobicContact CD1-CE2 3.66Å; I7-F92 HydrophobicContact CD1-CG 3.87Å; I7-F92 HydrophobicContact CD1-CZ 4.24Å; I7-F92 HydrophobicContact CG2-CD1 4.49Å; I7-F92 HydrophobicContact CG2-CE1 4.13Å; I7-F92 HydrophobicContact CG2-CZ 4.23Å; L15-F92 HydrophobicContact CB-CZ 4.34Å; L15-F92 HydrophobicContact CD1-CE1 4.34Å; L15-F92 HydrophobicContact CD1-CZ 4.46Å; W16-F92 HydrophobicContact CB-CE2 4.31Å; L66-F92 HydrophobicContact CD1-CD1 4.13Å; L66-F92 HydrophobicContact CD1-CE1 4.05Å; F68-F92 HydrophobicContact CE1-CB 4.12Å; F68-F92 HydrophobicContact CE1-CD1 4.39Å; F68-F92 HydrophobicContact CE1-CG 4.32Å; F68-F92 HydrophobicContact CZ-CB 4.5Å; F68-F92 HydrophobicContact CZ-CD1 4.35Å; V88-F92 WeakPolarHBondContact O-CB 3.28Å; V88-F92 PolarHBondContact O-N 2.89Å; Q89-F92 PolarHBondContact O-N 3.02Å; F92-R95 PolarHBondContact O-N 3.35Å; F92-Y96 HydrophobicContact CD1-CD2 4.15Å; F92-Y96 AromaticContact CD2-CD2 3.83Å; F92-Y96 HydrophobicContact CD2-CD2 3.83Å; F92-Y96 AromaticContact CD2-CE2 3.89Å; F92-Y96 HydrophobicContact CD2-CE2 3.89Å; F92-Y96 HydrophobicContact CE1-CD2 4.01Å; F92-Y96 AromaticContact CE2-CD2 3.68Å; F92-Y96 HydrophobicContact CE2-CD2 3.68Å; F92-Y96 AromaticContact CE2-CE2 3.68Å; F92-Y96 HydrophobicContact CE2-CE2 3.68Å; F92-Y96 HydrophobicContact CG-CD2 4.06Å; F92-Y96 AromaticContact CZ-CD2 3.78Å; F92-Y96 HydrophobicContact CZ-CD2 3.78Å; F92-Y96 HydrophobicContact CZ-CE2 4.17Å; F92-Y96 WeakPolarHBondContact O-CD2 3.42Å; F92-Y96 PolarHBondContact O-N 3.43Å; F92-L100 HydrophobicContact CD1-CD1 4.4Å; F92-L100 HydrophobicContact CE1-CD1 4.31Å; F92-F113 HydrophobicContact CE1-CD1 4.47Å; F92-F113 HydrophobicContact CE2-CB 4.49Å; F92-F113 HydrophobicContact CZ-CB 4.31Å; F92-F113 AromaticContact CZ-CD1 3.84Å; F92-F113 HydrophobicContact CZ-CD1 3.84Å; F92-F113 HydrophobicContact CZ-CG 4.29Å; F92-F115 HydrophobicContact CB-CE2 4.21Å; F92-F115 HydrophobicContact CB-CZ 4.16Å; F92-F115 HydrophobicContact CD2-CB 4.14Å; F92-F115 AromaticContact CD2-CD1 3.99Å; F92-F115 HydrophobicContact CD2-CD1 3.99Å; F92-F115 AromaticContact CD2-CD2 3.8Å; F92-F115 HydrophobicContact CD2-CD2 3.8Å; F92-F115 HydrophobicContact CD2-CE1 4.35Å; F92-F115 HydrophobicContact CD2-CE2 4.15Å; F92-F115 AromaticContact CD2-CG 3.7Å; F92-F115 HydrophobicContact CD2-CG 3.7Å; F92-F115 HydrophobicContact CD2-CZ 4.42Å; F92-F115 HydrophobicContact CE2-CB 4.13Å; F92-F115 HydrophobicContact CE2-CD2 4.49Å; F92-F115 HydrophobicContact CE2-CG 4.21Å
93R85Confident82.7Confident81 Ų8168.6 Ų68.631%0.30632%0.318SS..Hα-helixtrans-60.1-49.6177.6-170.3-177.678.8160.1-9.1112E63 F64 Q89 L90 R95 Y96 K97E63-R93 IonicContact OE2-NH1 2.9Å; E63-R93 PolarHBondContact OE2-NH1 2.89Å; F64-R93 HydrophobicContact CD2-CG 3.61Å; F64-R93 HydrophobicContact CE2-CG 3.34Å; F64-R93 HydrophobicContact CZ-CG 4.35Å; Q89-R93 WeakPolarHBondContact O-CB 3.36Å; Q89-R93 PolarHBondContact O-N 2.86Å; L90-R93 PolarHBondContact O-N 2.91Å; R93-R95 VanDerWaalsContact C-N 3.29Å; R93-R95 PolarHBondContact O-N 3.27Å; R93-Y96 PolarHBondContact O-N 2.97Å; R93-K97 WeakPolarHBondContact O-CA 3.36Å; R93-K97 VanDerWaalsContact O-CB 3.31Å; R93-K97 WeakPolarHBondContact O-CB 3.38Å; R93-K97 PolarHBondContact O-N 3.4Å
94D85.7Confident81.4Confident91 Ų9164.4 Ų64.449%0.48731%0.311SS..Hα-helixtrans-66.5-33.4-177.4-70-6000112.2L90L90-D94 WeakPolarHBondContact CD2-OD2 3.37Å; L90-D94 WeakPolarHBondContact O-CB 3.25Å; L90-D94 PolarHBondContact O-N 2.87Å
95R85.9Confident80.1Confident121 Ų12167.2 Ų67.246%0.45734%0.335SS..Hα-helixtrans-75.3-40.1179.7-172.8173.1-173.5-166.6-5.2112.7H91 F92 R93 D114H91-R95 VanDerWaalsContact O-CB 3.28Å; H91-R95 WeakPolarHBondContact O-CB 3.47Å; H91-R95 PolarHBondContact O-N 2.94Å; F92-R95 PolarHBondContact O-N 3.35Å; R93-R95 VanDerWaalsContact C-N 3.29Å; R93-R95 PolarHBondContact O-N 3.27Å; R95-D114 PolarHBondContact NH1-O 3.22Å; R95-D114 PolarHBondContact NH2-O 3.49Å
96Y84.9Confident78.7Confident16 Ų1673.6 Ų73.66%0.06337%0.368CS..SBendtrans-110.419.9-172.3-60.7-64.3000113.8F92 R93 N98 E99 L100 F113 D114 F115F92-Y96 HydrophobicContact CD1-CD2 4.15Å; F92-Y96 AromaticContact CD2-CD2 3.83Å; F92-Y96 HydrophobicContact CD2-CD2 3.83Å; F92-Y96 AromaticContact CD2-CE2 3.89Å; F92-Y96 HydrophobicContact CD2-CE2 3.89Å; F92-Y96 HydrophobicContact CE1-CD2 4.01Å; F92-Y96 AromaticContact CE2-CD2 3.68Å; F92-Y96 HydrophobicContact CE2-CD2 3.68Å; F92-Y96 AromaticContact CE2-CE2 3.68Å; F92-Y96 HydrophobicContact CE2-CE2 3.68Å; F92-Y96 HydrophobicContact CG-CD2 4.06Å; F92-Y96 AromaticContact CZ-CD2 3.78Å; F92-Y96 HydrophobicContact CZ-CD2 3.78Å; F92-Y96 HydrophobicContact CZ-CE2 4.17Å; F92-Y96 WeakPolarHBondContact O-CD2 3.42Å; F92-Y96 PolarHBondContact O-N 3.43Å; R93-Y96 PolarHBondContact O-N 2.97Å; Y96-N98 VanDerWaalsContact C-N 3.29Å; Y96-N98 PolarHBondContact O-N 2.93Å; Y96-E99 WeakPolarHBondContact CA-OE2 3.2Å; Y96-E99 PolarHBondContact O-N 3.46Å; Y96-E99 VanDerWaalsContact O-N 3.17Å; Y96-L100 WeakPolarHBondContact O-CB 3.48Å; Y96-L100 WeakPolarHBondContact O-CG 3.35Å; Y96-L100 PolarHBondContact O-N 3.16Å; Y96-F113 AromaticContact CD1-CD1 3.83Å; Y96-F113 HydrophobicContact CD1-CD1 3.83Å; Y96-F113 HydrophobicContact CD1-CE1 4.28Å; Y96-F113 AromaticContact CD2-CD1 3.97Å; Y96-F113 HydrophobicContact CD2-CD1 3.97Å; Y96-F113 HydrophobicContact CE1-CD1 4.19Å; Y96-F113 HydrophobicContact CE2-CD1 4.3Å; Y96-F113 AromaticContact CG-CD1 3.72Å; Y96-F113 HydrophobicContact CG-CD1 3.72Å; Y96-F113 HydrophobicContact CG-CE1 4.11Å; Y96-D114 PolarHBondContact OH-N 3.26Å; Y96-D114 PolarHBondContact OH-O 3.49Å; Y96-F115 HydrophobicContact CE2-CB 4.34Å; Y96-F115 AromaticContact CE2-CD2 3.91Å; Y96-F115 HydrophobicContact CE2-CD2 3.91Å
97K81.7Confident77.6Confident91 Ų9175.5 Ų75.540%0.39637%0.373SS..Hα-helixtrans-54-45.1-175.3-173.1170.2173.6171.40112.4F64 R93 E99 L100 E101F64-K97 HydrophobicContact CZ-CG 4.2Å; R93-K97 WeakPolarHBondContact O-CA 3.36Å; R93-K97 VanDerWaalsContact O-CB 3.31Å; R93-K97 WeakPolarHBondContact O-CB 3.38Å; R93-K97 PolarHBondContact O-N 3.4Å; K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 3.16Å; K97-L100 PolarHBondContact O-N 2.81Å; K97-E101 WeakPolarHBondContact CE-OE1 3.27Å; K97-E101 HydrophobicContact CG-CG 4.22Å; K97-E101 IonicContact NZ-OE1 3.91Å; K97-E101 WeakPolarHBondContact O-CB 3.43Å; K97-E101 WeakPolarHBondContact O-CG 3.44Å; K97-E101 PolarHBondContact O-N 3.43Å
98N79.5Confident76.4Confident112 Ų11274 Ų7460%0.59937%0.365SS*.Hα-helixtrans-66.8-34.8-176.8-63.4-36.4000112.4Y96 Q102Y96-N98 VanDerWaalsContact C-N 3.29Å; Y96-N98 PolarHBondContact O-N 2.93Å; N98-Q102 PolarHBondContact O-NE2 3.26Å
99E80.1Confident75.1Confident61 Ų6179.2 Ų79.229%0.28539%0.392SS..Hα-helixtrans-75.3-32.2177.6-62.786.3166.900111.7Y96 K97 F113Y96-E99 WeakPolarHBondContact CA-OE2 3.2Å; Y96-E99 PolarHBondContact O-N 3.46Å; Y96-E99 VanDerWaalsContact O-N 3.17Å; K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 3.16Å; E99-F113 HydrophobicContact CB-CE1 4.21Å; E99-F113 HydrophobicContact CB-CZ 4.46Å
100L76.8Confident73.9Confident20 Ų2084.3 Ų84.311%0.10542%0.42CS..Hα-helixtrans-84.5-30.7-178.8-66.1170.2000113.4L15 F64 L66 F92 Y96 K97 Q102 L108 F113L15-L100 HydrophobicContact CD1-CD2 4.14Å; F64-L100 HydrophobicContact CB-CB 4.2Å; F64-L100 HydrophobicContact CB-CD1 4.38Å; F64-L100 HydrophobicContact CD1-CB 3.45Å; F64-L100 VanDerWaalsContact CD1-CB 3.45Å; F64-L100 HydrophobicContact CE1-CB 4.05Å; F64-L100 HydrophobicContact CG-CB 3.92Å; F64-L100 HydrophobicContact CG-CD1 4.27Å; L66-L100 HydrophobicContact CD1-CD1 3.81Å; L66-L100 HydrophobicContact CD1-CD2 3.89Å; L66-L100 HydrophobicContact CD2-CD2 4Å; L66-L100 HydrophobicContact CG-CD2 4.36Å; F92-L100 HydrophobicContact CD1-CD1 4.4Å; F92-L100 HydrophobicContact CE1-CD1 4.31Å; Y96-L100 WeakPolarHBondContact O-CB 3.48Å; Y96-L100 WeakPolarHBondContact O-CG 3.35Å; Y96-L100 PolarHBondContact O-N 3.16Å; K97-L100 PolarHBondContact O-N 2.81Å; L100-Q102 VanDerWaalsContact C-N 3.27Å; L100-Q102 PolarHBondContact O-N 2.98Å; L100-L108 HydrophobicContact CD2-CD2 4.21Å; L100-F113 HydrophobicContact CD2-CE1 4.45Å
101E71Confident73Confident104 Ų10483.2 Ų83.249%0.48642%0.415SS..SBendtrans-68.9-23177.5-79.3-177.3170.600113.2F64 K97 K103F64-E101 HydrophobicContact CE1-CG 3.58Å; F64-E101 HydrophobicContact CZ-CG 4.2Å; K97-E101 WeakPolarHBondContact CE-OE1 3.27Å; K97-E101 HydrophobicContact CG-CG 4.22Å; K97-E101 IonicContact NZ-OE1 3.91Å; K97-E101 WeakPolarHBondContact O-CB 3.43Å; K97-E101 WeakPolarHBondContact O-CG 3.44Å; K97-E101 PolarHBondContact O-N 3.43Å; E101-K103 PolarHBondContact O-N 2.9Å
102Q65.5Low72.2Confident99 Ų9986.9 Ų86.946%0.46344%0.441SS..SBendtrans-79.8107.5-178.2-69-177.634.800111.3N98 L100 G104N98-Q102 PolarHBondContact O-NE2 3.26Å; L100-Q102 VanDerWaalsContact C-N 3.27Å; L100-Q102 PolarHBondContact O-N 2.98Å; Q102-G104 PolarHBondContact O-N 3.46Å; Q102-G104 VanDerWaalsContact O-N 3.15Å
103K58.3Low71.8Confident216 Ų21687.6 Ų87.694%0.93945%0.445SS*.  trans-59.3114.9177.4-67.8-175.5177.6-178.80111.7E101E101-K103 PolarHBondContact O-N 2.9Å
104G59.3Low71.8Confident39 Ų3988.1 Ų88.140%0.40245%0.454SS..  trans155.1123.2168.100000115.6Q102 L106 K107Q102-G104 PolarHBondContact O-N 3.46Å; Q102-G104 VanDerWaalsContact O-N 3.15Å; G104-L106 VanDerWaalsContact C-N 3.31Å; G104-L106 PolarHBondContact O-N 2.98Å; G104-K107 PolarHBondContact O-N 3.39Å
105A60.8Low71.9Confident62 Ų6283.9 Ų83.951%0.51243%0.431SS..Hα-helixtrans-59.2-34.3-179.200000114.3I13 K107 L108 L109I13-A105 HydrophobicContact CD1-CB 3.99Å; A105-K107 VanDerWaalsContact C-N 3.28Å; A105-K107 PolarHBondContact O-N 3.38Å; A105-L108 PolarHBondContact O-N 2.91Å; A105-L109 PolarHBondContact O-N 3.11Å
106L58.6Low71.9Confident137 Ų13780.4 Ų80.472%0.71742%0.42SS*.Hα-helixtrans-67.4-24.6-180-72.9171.6000113.5G104 N110G104-L106 VanDerWaalsContact C-N 3.31Å; G104-L106 PolarHBondContact O-N 2.98Å; L106-N110 VanDerWaalsContact O-CG 3.25Å; L106-N110 PolarHBondContact O-N 3.14Å; L106-N110 PolarHBondContact O-ND2 2.6Å; L106-N110 PolarHBondContact O-OD1 2.77Å
107K64.9Low71.9Confident106 Ų10685.6 Ų85.646%0.46145%0.448SS..Hα-helixtrans-84.5-33.5178.8-78.1-174.9169.4-175.20112.7G104 A105 L109 N110 N111G104-K107 PolarHBondContact O-N 3.39Å; A105-K107 VanDerWaalsContact C-N 3.28Å; A105-K107 PolarHBondContact O-N 3.38Å; K107-L109 PolarHBondContact O-N 3.23Å; K107-N110 PolarHBondContact O-N 3.22Å; K107-N110 VanDerWaalsContact O-N 3.1Å; K107-N111 PolarHBondContact O-N 3.15Å; K107-N111 VanDerWaalsContact O-N 3.13Å
108L64.1Low72.2Confident31 Ų3186.9 Ų86.916%0.16245%0.451CS..Hα-helixtrans-59.3-33.3169.5-68.3173.4000111.5I13 L15 L100 A105 F113I13-L108 HydrophobicContact CD1-CB 4.31Å; I13-L108 HydrophobicContact CD1-CD1 4.4Å; L15-L108 HydrophobicContact CD2-CB 4.14Å; L15-L108 HydrophobicContact CD2-CD2 4.09Å; L15-L108 HydrophobicContact CD2-CG 4.49Å; L100-L108 HydrophobicContact CD2-CD2 4.21Å; A105-L108 PolarHBondContact O-N 2.91Å; L108-F113 HydrophobicContact CD2-CE2 4.44Å; L108-F113 HydrophobicContact CD2-CZ 3.88Å
109L62.6Low72.7Confident110 Ų11081.6 Ų81.658%0.57642%0.422SS*.Hα-helixtrans-74.4-27.6175.7-68.1168.5000113.6I13 A105 K107I13-L109 HydrophobicContact CD1-CD2 4.47Å; I13-L109 HydrophobicContact CD1-CG 4.24Å; I13-L109 HydrophobicContact CG2-CD2 3.79Å; I13-L109 HydrophobicContact CG2-CG 4.43Å; A105-L109 PolarHBondContact O-N 3.11Å; K107-L109 PolarHBondContact O-N 3.23Å
110N62.8Low73Confident131 Ų13183.2 Ų83.270%0.70143%0.429SS*.Hα-helixtrans-87.9-14.3-178.6-70.5-10000113.2L106 K107L106-N110 VanDerWaalsContact O-CG 3.25Å; L106-N110 PolarHBondContact O-N 3.14Å; L106-N110 PolarHBondContact O-ND2 2.6Å; L106-N110 PolarHBondContact O-OD1 2.77Å; K107-N110 PolarHBondContact O-N 3.22Å; K107-N110 VanDerWaalsContact O-N 3.1Å
111N68.2Low73.6Confident62 Ų6288.1 Ų88.133%0.33245%0.449SS..SBendtrans-96.2133.3-179.3-71.7-14.7000110.8K107 F113K107-N111 PolarHBondContact O-N 3.15Å; K107-N111 VanDerWaalsContact O-N 3.13Å; N111-F113 HydrophobicContact CB-CE2 3.94Å; N111-F113 HydrophobicContact CB-CZ 4.08Å; N111-F113 WeakPolarHBondContact O-CD2 3.46Å
112T72.5Confident74.5Confident134 Ų13483.7 Ų83.782%0.82243%0.429SS*.  trans-91.7113.2173.848.50000110.4D114T112-D114 PolarHBondContact O-N 3.15Å
113F80.5Confident75.6Confident15 Ų1580 Ų807%0.06641%0.412CS..  trans-91.885.9178.9-61.2-91.3000111.1L15 W16 F92 Y96 E99 L100 L108 N111 F115L15-F113 HydrophobicContact CB-CD2 4.04Å; L15-F113 HydrophobicContact CB-CE2 4.37Å; L15-F113 HydrophobicContact CB-CG 4.28Å; L15-F113 HydrophobicContact CD2-CD2 4.24Å; L15-F113 HydrophobicContact CD2-CE2 3.77Å; L15-F113 HydrophobicContact CD2-CZ 4.23Å; L15-F113 HydrophobicContact CG-CE2 4.49Å; W16-F113 VanDerWaalsContact CD1-O 3.3Å; F92-F113 HydrophobicContact CE1-CD1 4.47Å; F92-F113 HydrophobicContact CE2-CB 4.49Å; F92-F113 HydrophobicContact CZ-CB 4.31Å; F92-F113 AromaticContact CZ-CD1 3.84Å; F92-F113 HydrophobicContact CZ-CD1 3.84Å; F92-F113 HydrophobicContact CZ-CG 4.29Å; Y96-F113 AromaticContact CD1-CD1 3.83Å; Y96-F113 HydrophobicContact CD1-CD1 3.83Å; Y96-F113 HydrophobicContact CD1-CE1 4.28Å; Y96-F113 AromaticContact CD2-CD1 3.97Å; Y96-F113 HydrophobicContact CD2-CD1 3.97Å; Y96-F113 HydrophobicContact CE1-CD1 4.19Å; Y96-F113 HydrophobicContact CE2-CD1 4.3Å; Y96-F113 AromaticContact CG-CD1 3.72Å; Y96-F113 HydrophobicContact CG-CD1 3.72Å; Y96-F113 HydrophobicContact CG-CE1 4.11Å; E99-F113 HydrophobicContact CB-CE1 4.21Å; E99-F113 HydrophobicContact CB-CZ 4.46Å; L100-F113 HydrophobicContact CD2-CE1 4.45Å; L108-F113 HydrophobicContact CD2-CE2 4.44Å; L108-F113 HydrophobicContact CD2-CZ 3.88Å; N111-F113 HydrophobicContact CB-CE2 3.94Å; N111-F113 HydrophobicContact CB-CZ 4.08Å; N111-F113 WeakPolarHBondContact O-CD2 3.46Å; F113-F115 PolarHBondContact O-N 2.91Å
114D84.2Confident77Confident93 Ų9377.5 Ų77.550%0.49740%0.397SS..  trans-85.890.6177.7-178.717000112.5R95 Y96 T112R95-D114 PolarHBondContact NH1-O 3.22Å; R95-D114 PolarHBondContact NH2-O 3.49Å; Y96-D114 PolarHBondContact OH-N 3.26Å; Y96-D114 PolarHBondContact OH-O 3.49Å; T112-D114 PolarHBondContact O-N 3.15Å
115F88.3Confident78.3Confident1 Ų179.7 Ų79.70%0.00440%0.397CS..  trans-106.55.3-178.1-161.3-110.6000114.3W16 V88 H91 F92 Y96 F113 D117 R118 F119 L122W16-F115 HydrophobicContact CD2-CB 4.04Å; W16-F115 HydrophobicContact CE3-CD1 4.45Å; W16-F115 HydrophobicContact CG-CB 4.04Å; W16-F115 HydrophobicContact CZ3-CD1 4.45Å; V88-F115 HydrophobicContact CG1-CE1 3.92Å; H91-F115 HydrophobicContact CB-CE2 4.32Å; H91-F115 HydrophobicContact CB-CZ 4Å; F92-F115 HydrophobicContact CB-CE2 4.21Å; F92-F115 HydrophobicContact CB-CZ 4.16Å; F92-F115 HydrophobicContact CD2-CB 4.14Å; F92-F115 AromaticContact CD2-CD1 3.99Å; F92-F115 HydrophobicContact CD2-CD1 3.99Å; F92-F115 AromaticContact CD2-CD2 3.8Å; F92-F115 HydrophobicContact CD2-CD2 3.8Å; F92-F115 HydrophobicContact CD2-CE1 4.35Å; F92-F115 HydrophobicContact CD2-CE2 4.15Å; F92-F115 AromaticContact CD2-CG 3.7Å; F92-F115 HydrophobicContact CD2-CG 3.7Å; F92-F115 HydrophobicContact CD2-CZ 4.42Å; F92-F115 HydrophobicContact CE2-CB 4.13Å; F92-F115 HydrophobicContact CE2-CD2 4.49Å; F92-F115 HydrophobicContact CE2-CG 4.21Å; Y96-F115 HydrophobicContact CE2-CB 4.34Å; Y96-F115 AromaticContact CE2-CD2 3.91Å; Y96-F115 HydrophobicContact CE2-CD2 3.91Å; F113-F115 PolarHBondContact O-N 2.91Å; F115-D117 PolarHBondContact O-N 3.37Å; F115-R118 HydrophobicContact CD2-CB 4.12Å; F115-R118 HydrophobicContact CE2-CB 3.91Å; F115-R118 HydrophobicContact CE2-CG 3.92Å; F115-R118 HydrophobicContact CZ-CB 4.2Å; F115-R118 HydrophobicContact CZ-CG 4.11Å; F115-R118 PolarHBondContact O-N 3.21Å; F115-F119 HydrophobicContact CD1-CB 3.86Å; F115-F119 HydrophobicContact CE1-CB 4.06Å; F115-F119 HydrophobicContact CE1-CD2 4.42Å; F115-F119 VanDerWaalsContact O-CB 3.26Å; F115-F119 WeakPolarHBondContact O-CB 3.13Å; F115-F119 PolarHBondContact O-N 2.97Å; F115-L122 HydrophobicContact CZ-CD1 4.24Å
116E86.2Confident79.6Confident48 Ų4877.3 Ų77.322%0.22438%0.377CS..Hα-helixtrans-61.8-50.8-167.9-173.565.9-16400113.4W16 R118 F119 K120W16-E116 WeakPolarHBondContact CZ2-OE2 3.29Å; E116-R118 PolarHBondContact O-N 3.45Å; E116-F119 PolarHBondContact O-N 3.42Å; E116-K120 HydrophobicContact CG-CD 4.39Å; E116-K120 WeakPolarHBondContact O-CG 3.09Å; E116-K120 PolarHBondContact O-N 3.41Å; E116-K120 WeakPolarHBondContact OE1-CE 3.32Å; E116-K120 IonicContact OE1-NZ 2.72Å; E116-K120 PolarHBondContact OE1-NZ 2.86Å
117D85.3Confident80.8Confident125 Ų12573 Ų7367%0.66835%0.353SS*.Hα-helixtrans-65.9-40.2-177.2-74.5-19.2000112.5F115 K121F115-D117 PolarHBondContact O-N 3.37Å; D117-K121 PolarHBondContact O-N 3.45Å; D117-K121 VanDerWaalsContact O-N 3.17Å
118R86.7Confident81.7Confident119 Ų11973.2 Ų73.245%0.44936%0.356SS..Hα-helixtrans-67.2-44178.2-159.984.1-174.5-155.43.3110.1F115 E116 K121 L122F115-R118 HydrophobicContact CD2-CB 4.12Å; F115-R118 HydrophobicContact CE2-CB 3.91Å; F115-R118 HydrophobicContact CE2-CG 3.92Å; F115-R118 HydrophobicContact CZ-CB 4.2Å; F115-R118 HydrophobicContact CZ-CG 4.11Å; F115-R118 PolarHBondContact O-N 3.21Å; E116-R118 PolarHBondContact O-N 3.45Å; R118-K121 WeakPolarHBondContact O-CB 3.3Å; R118-K121 PolarHBondContact O-N 3.12Å; R118-L122 WeakPolarHBondContact O-CG 3.48Å; R118-L122 PolarHBondContact O-N 2.76Å
119F89.5Confident82.5Confident0 Ų075 Ų750%037%0.368CS..Hα-helixtrans-60.6-47.5177.2-179.6-93.6000112F5 W16 F18 F84 V88 F115 E116 K121 L122 L123F5-F119 HydrophobicContact CB-CE2 3.75Å; F5-F119 HydrophobicContact CB-CZ 3.55Å; F5-F119 AromaticContact CD1-CE2 3.89Å; F5-F119 HydrophobicContact CD1-CE2 3.89Å; F5-F119 AromaticContact CD2-CE2 3.72Å; F5-F119 HydrophobicContact CD2-CE2 3.72Å; F5-F119 HydrophobicContact CD2-CZ 4.06Å; F5-F119 HydrophobicContact CE1-CE2 4.38Å; F5-F119 HydrophobicContact CE2-CE2 4.24Å; F5-F119 AromaticContact CG-CE2 3.52Å; F5-F119 HydrophobicContact CG-CE2 3.52Å; F5-F119 AromaticContact CG-CZ 3.84Å; F5-F119 HydrophobicContact CG-CZ 3.84Å; W16-F119 HydrophobicContact CH2-CB 3.6Å; W16-F119 AromaticContact CH2-CD1 3.58Å; W16-F119 HydrophobicContact CH2-CD1 3.58Å; W16-F119 AromaticContact CH2-CD2 3.26Å; W16-F119 HydrophobicContact CH2-CD2 3.26Å; W16-F119 HydrophobicContact CH2-CE1 4.01Å; W16-F119 AromaticContact CH2-CE2 3.68Å; W16-F119 HydrophobicContact CH2-CE2 3.68Å; W16-F119 AromaticContact CH2-CG 3.18Å; W16-F119 HydrophobicContact CH2-CG 3.18Å; W16-F119 HydrophobicContact CH2-CZ 4.04Å; W16-F119 HydrophobicContact CZ2-CB 3.79Å; W16-F119 HydrophobicContact CZ2-CD1 4.15Å; W16-F119 HydrophobicContact CZ2-CD2 4.28Å; W16-F119 AromaticContact CZ2-CG 3.83Å; W16-F119 HydrophobicContact CZ2-CG 3.83Å; W16-F119 HydrophobicContact CZ3-CB 4.5Å; W16-F119 AromaticContact CZ3-CD2 3.62Å; W16-F119 HydrophobicContact CZ3-CD2 3.62Å; W16-F119 AromaticContact CZ3-CE2 3.87Å; W16-F119 HydrophobicContact CZ3-CE2 3.87Å; W16-F119 HydrophobicContact CZ3-CG 4.03Å; F18-F119 HydrophobicContact CB-CD1 4.16Å; F18-F119 HydrophobicContact CB-CE1 3.82Å; F18-F119 HydrophobicContact CB-CZ 4.2Å; F18-F119 HydrophobicContact CD1-CD1 4.35Å; F18-F119 AromaticContact CD1-CE1 3.4Å; F18-F119 HydrophobicContact CD1-CE1 3.4Å; F18-F119 AromaticContact CD1-CZ 3.87Å; F18-F119 HydrophobicContact CD1-CZ 3.87Å; F18-F119 AromaticContact CD2-CD1 3.91Å; F18-F119 HydrophobicContact CD2-CD1 3.91Å; F18-F119 AromaticContact CD2-CE1 3.74Å; F18-F119 HydrophobicContact CD2-CE1 3.74Å; F18-F119 AromaticContact CE1-CE1 3.82Å; F18-F119 HydrophobicContact CE1-CE1 3.82Å; F18-F119 HydrophobicContact CE1-CZ 4.48Å; F18-F119 HydrophobicContact CE2-CD1 4.38Å; F18-F119 HydrophobicContact CE2-CE1 4.13Å; F18-F119 AromaticContact CG-CD1 3.88Å; F18-F119 HydrophobicContact CG-CD1 3.88Å; F18-F119 AromaticContact CG-CE1 3.35Å; F18-F119 HydrophobicContact CG-CE1 3.35Å; F18-F119 HydrophobicContact CG-CZ 4.05Å; F18-F119 HydrophobicContact CZ-CE1 4.16Å; F84-F119 AromaticContact CE1-CE2 3.82Å; F84-F119 HydrophobicContact CE1-CE2 3.82Å; F84-F119 AromaticContact CE1-CZ 3.97Å; F84-F119 HydrophobicContact CE1-CZ 3.97Å; F84-F119 HydrophobicContact CZ-CD2 4.02Å; F84-F119 HydrophobicContact CZ-CE1 4.41Å; F84-F119 AromaticContact CZ-CE2 3.4Å; F84-F119 HydrophobicContact CZ-CE2 3.4Å; F84-F119 VanDerWaalsContact CZ-CE2 3.4Å; F84-F119 AromaticContact CZ-CZ 3.63Å; F84-F119 HydrophobicContact CZ-CZ 3.63Å; V88-F119 HydrophobicContact CG2-CD2 4.06Å; V88-F119 HydrophobicContact CG2-CE2 4.24Å; F115-F119 HydrophobicContact CD1-CB 3.86Å; F115-F119 HydrophobicContact CE1-CB 4.06Å; F115-F119 HydrophobicContact CE1-CD2 4.42Å; F115-F119 VanDerWaalsContact O-CB 3.26Å; F115-F119 WeakPolarHBondContact O-CB 3.13Å; F115-F119 PolarHBondContact O-N 2.97Å; E116-F119 PolarHBondContact O-N 3.42Å; F119-K121 PolarHBondContact O-N 3.2Å; F119-L122 PolarHBondContact O-N 3.32Å; F119-L123 HydrophobicContact CE1-CB 4.47Å; F119-L123 HydrophobicContact CE1-CD2 4.03Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.24Å
120K87.7Confident83.2Confident95 Ų9571.6 Ų71.641%0.41335%0.353SS..Hα-helixtrans-58.1-37.6176.8-79.4173.5175.3145.90112.6E116 R124E116-K120 HydrophobicContact CG-CD 4.39Å; E116-K120 WeakPolarHBondContact O-CG 3.09Å; E116-K120 PolarHBondContact O-N 3.41Å; E116-K120 WeakPolarHBondContact OE1-CE 3.32Å; E116-K120 IonicContact OE1-NZ 2.72Å; E116-K120 PolarHBondContact OE1-NZ 2.86Å; K120-R124 WeakPolarHBondContact O-CB 3.4Å; K120-R124 PolarHBondContact O-N 3.35Å
121K89.8Confident83.6Confident123 Ų12371.8 Ų71.854%0.53535%0.348SS..Hα-helixtrans-66.2-49.7175.7-171.6178.2176.9-178.40111.5D117 R118 F119 L123 R124 E125D117-K121 PolarHBondContact O-N 3.45Å; D117-K121 VanDerWaalsContact O-N 3.17Å; R118-K121 WeakPolarHBondContact O-CB 3.3Å; R118-K121 PolarHBondContact O-N 3.12Å; F119-K121 PolarHBondContact O-N 3.2Å; K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 3.37Å; K121-R124 PolarHBondContact O-N 3.22Å; K121-E125 WeakPolarHBondContact CE-OE1 3.37Å; K121-E125 WeakPolarHBondContact O-CG 3.29Å; K121-E125 PolarHBondContact O-N 3.41Å
122L89.4Confident83.3Confident11 Ų1173 Ų736%0.05837%0.367CS..Hα-helixtrans-61-39.9177.4-69.1172000112.1F84 V88 H91 F115 R118 F119 E125 A126F84-L122 HydrophobicContact CE2-CB 3.95Å; V88-L122 HydrophobicContact CG2-CD1 4Å; H91-L122 HydrophobicContact CB-CD1 4.09Å; F115-L122 HydrophobicContact CZ-CD1 4.24Å; R118-L122 WeakPolarHBondContact O-CG 3.48Å; R118-L122 PolarHBondContact O-N 2.76Å; F119-L122 PolarHBondContact O-N 3.32Å; L122-E125 PolarHBondContact O-N 2.83Å; L122-A126 WeakPolarHBondContact O-CB 3.46Å; L122-A126 PolarHBondContact O-N 3.23Å
123L88.1Confident82.6Confident21 Ų2176.9 Ų76.911%0.1137%0.366CS..Hα-helixtrans-63.3-44.2177.5179.956000110.8L2 F18 F84 F119 K121 A126 E127L2-L123 HydrophobicContact CD1-CD1 3.46Å; L2-L123 VanDerWaalsContact CD1-CD1 3.46Å; L2-L123 HydrophobicContact CG-CD1 4.04Å; F18-L123 HydrophobicContact CE1-CD2 4.33Å; F18-L123 HydrophobicContact CZ-CD2 4.23Å; F84-L123 HydrophobicContact CE1-CD1 4.44Å; F84-L123 HydrophobicContact CE2-CB 4.06Å; F84-L123 HydrophobicContact CE2-CD1 4.34Å; F84-L123 HydrophobicContact CZ-CB 4.08Å; F84-L123 HydrophobicContact CZ-CD1 4.07Å; F119-L123 HydrophobicContact CE1-CB 4.47Å; F119-L123 HydrophobicContact CE1-CD2 4.03Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.24Å; K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 3.37Å; L123-A126 PolarHBondContact O-N 2.88Å; L123-E127 HydrophobicContact CD1-CG 4.27Å; L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 WeakPolarHBondContact O-CG 3.31Å; L123-E127 PolarHBondContact O-N 3.1Å
124R86.9Confident81.3Confident164 Ų16479.9 Ų79.962%0.61939%0.389SS*.Hα-helixtrans-62.2-46.3176.6-169.4-176.9-58.1-177.22.3111.7K120 K121 A126 E127 E128K120-R124 WeakPolarHBondContact O-CB 3.4Å; K120-R124 PolarHBondContact O-N 3.35Å; K121-R124 PolarHBondContact O-N 3.22Å; R124-A126 VanDerWaalsContact C-N 3.35Å; R124-A126 PolarHBondContact O-N 3Å; R124-E127 PolarHBondContact O-N 3.05Å; R124-E128 HydrophobicContact CG-CG 4.5Å; R124-E128 WeakPolarHBondContact CG-OE1 3.37Å; R124-E128 WeakPolarHBondContact O-CB 3.43Å; R124-E128 VanDerWaalsContact O-CG 3.3Å; R124-E128 WeakPolarHBondContact O-CG 3.44Å; R124-E128 PolarHBondContact O-N 3Å
125E88.3Confident79.7Confident86 Ų8681.3 Ų81.340%0.40240%0.404SS..Hα-helixtrans-61.4-41.8177.7-72.1172.5-173.100111.8K121 L122 E128 T129K121-E125 WeakPolarHBondContact CE-OE1 3.37Å; K121-E125 WeakPolarHBondContact O-CG 3.29Å; K121-E125 PolarHBondContact O-N 3.41Å; L122-E125 PolarHBondContact O-N 2.83Å; E125-E128 PolarHBondContact O-N 2.87Å; E125-T129 WeakPolarHBondContact O-CB 3.42Å; E125-T129 PolarHBondContact O-N 3.45Å; E125-T129 PolarHBondContact O-OG1 3.09Å
126A86.1Confident78.1Confident12 Ų1285.3 Ų85.310%0.09944%0.437CS..Hα-helixtrans-65.6-43.3176.300000112Y80 F84 L122 L123 R124 T129 S130Y80-A126 HydrophobicContact CD2-CB 4.03Å; F84-A126 HydrophobicContact CB-CB 4.24Å; F84-A126 HydrophobicContact CD2-CB 3.8Å; F84-A126 HydrophobicContact CG-CB 4.31Å; L122-A126 WeakPolarHBondContact O-CB 3.46Å; L122-A126 PolarHBondContact O-N 3.23Å; L123-A126 PolarHBondContact O-N 2.88Å; R124-A126 VanDerWaalsContact C-N 3.35Å; R124-A126 PolarHBondContact O-N 3Å; A126-T129 PolarHBondContact O-N 2.86Å; A126-S130 PolarHBondContact O-N 3.41Å
127E84.8Confident76.8Confident47 Ų4788.8 Ų88.822%0.2246%0.464CS..Hα-helixtrans-65-41.9176.1-74.9-173169.100112.1L123 R124 S130 K131L123-E127 HydrophobicContact CD1-CG 4.27Å; L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 WeakPolarHBondContact O-CG 3.31Å; L123-E127 PolarHBondContact O-N 3.1Å; R124-E127 PolarHBondContact O-N 3.05Å; E127-S130 PolarHBondContact O-N 3.37Å; E127-S130 PolarHBondContact O-OG 2.96Å; E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.28Å
128E84.7Confident75.6Confident110 Ų11091.8 Ų91.851%0.51448%0.476SS..Hα-helixtrans-63.6-43.1175.3-75.9174.6-173.600111.6R124 E125 S130 K131 A132R124-E128 HydrophobicContact CG-CG 4.5Å; R124-E128 WeakPolarHBondContact CG-OE1 3.37Å; R124-E128 WeakPolarHBondContact O-CB 3.43Å; R124-E128 VanDerWaalsContact O-CG 3.3Å; R124-E128 WeakPolarHBondContact O-CG 3.44Å; R124-E128 PolarHBondContact O-N 3Å; E125-E128 PolarHBondContact O-N 2.87Å; E128-S130 VanDerWaalsContact C-N 3.27Å; E128-S130 PolarHBondContact O-N 2.9Å; E128-K131 PolarHBondContact O-N 2.78Å; E128-K131 VanDerWaalsContact O-N 3.16Å; E128-A132 WeakPolarHBondContact O-CB 3.34Å; E128-A132 PolarHBondContact O-N 3.14Å
129T80.7Confident74.4Confident69 Ų6995.5 Ų95.542%0.42349%0.49SS..Hα-helixtrans-62.1-36.5175.9-56.10000111.6E125 A126 R133E125-T129 WeakPolarHBondContact O-CB 3.42Å; E125-T129 PolarHBondContact O-N 3.45Å; E125-T129 PolarHBondContact O-OG1 3.09Å; A126-T129 PolarHBondContact O-N 2.86Å; T129-R133 PolarHBondContact O-N 3.37Å
130S76.1Confident73.2Confident38 Ų3898 Ų9827%0.26651%0.508SS..Hα-helixtrans-69.3-37.2175.680.50000112.6A126 E127 E128 R133 S134A126-S130 PolarHBondContact O-N 3.41Å; E127-S130 PolarHBondContact O-N 3.37Å; E127-S130 PolarHBondContact O-OG 2.96Å; E128-S130 VanDerWaalsContact C-N 3.27Å; E128-S130 PolarHBondContact O-N 2.9Å; S130-R133 PolarHBondContact O-N 3.25Å; S130-S134 PolarHBondContact O-N 2.64Å
131K72.6Confident71.7Confident134 Ų134101 Ų10158%0.58352%0.521SS*.Hα-helixtrans-70.4-39.3176.4-71167.5-174.2168.10111.5E127 E128 R133 S134E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.28Å; E128-K131 PolarHBondContact O-N 2.78Å; E128-K131 VanDerWaalsContact O-N 3.16Å; K131-R133 PolarHBondContact O-N 2.94Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 2.74Å; K131-S134 VanDerWaalsContact O-N 3.16Å; K131-S134 PolarHBondContact O-OG 2.78Å
132A61.5Low70.3Confident88 Ų88103.3 Ų103.373%0.72753%0.531SS*.Hα-helixtrans-66.7-22176.300000113.5E128E128-A132 WeakPolarHBondContact O-CB 3.34Å; E128-A132 PolarHBondContact O-N 3.14Å
133R57.9Low68.9Low215 Ų215108.5 Ų108.581%0.81156%0.555SS**THydrogen-bonded Turntrans-94.44.6174.7-87.5-177.1170.5-177.4-2.3114.2T129 S130 K131T129-R133 PolarHBondContact O-N 3.37Å; S130-R133 PolarHBondContact O-N 3.25Å; K131-R133 PolarHBondContact O-N 2.94Å
134S52.8Low68.1Low79 Ų79109.7 Ų109.755%0.55257%0.565SS**SBendtrans-61.4136.7171.8560000109.7S130 K131 A136S130-S134 PolarHBondContact O-N 2.64Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 2.74Å; K131-S134 VanDerWaalsContact O-N 3.16Å; K131-S134 PolarHBondContact O-OG 2.78Å; S134-A136 PolarHBondContact O-N 2.98Å
135P51.2Low67Low123 Ų123108.9 Ų108.980%0.79957%0.568SS**PPolyproline II helixtrans-58130179.521.6-29.6000108.6
136A54Low65.6Low85 Ų85113 Ų11370%0.70258%0.584SS**PPolyproline II helixtrans-48136.417800000109.5S134 M138S134-A136 PolarHBondContact O-N 2.98Å; A136-M138 PolarHBondContact O-N 2.75Å
137P58.7Low64.5Low121 Ų121112.9 Ų112.979%0.78658%0.583SS**PPolyproline II helixtrans-52.4132.1178.921.3-31.4000108.7R139P137-R139 PolarHBondContact O-N 3.35Å; P137-R139 VanDerWaalsContact O-N 3.1Å
138M60Low63.3Low187 Ų187115.9 Ų115.992%0.92160%0.597SS**PPolyproline II helixtrans-49.7123.6179.2-79.6-174-77.400108.9A136 S140A136-M138 PolarHBondContact O-N 2.75Å; M138-S140 PolarHBondContact O-N 3.2Å
139R61.3Low62.2Low197 Ų197117.6 Ų117.674%0.74360%0.603SS**PPolyproline II helixtrans-51134.7176.5-71.6-175.9178-179.8-0.1108.9P137 E143P137-R139 PolarHBondContact O-N 3.35Å; P137-R139 VanDerWaalsContact O-N 3.1Å; R139-E143 HydrophobicContact CB-CB 4.25Å
140S65.6Low61.4Low54 Ų54118.2 Ų118.238%0.37861%0.607SS.*PPolyproline II helixtrans-61.3154.317869.50000109.9M138 K142 E143M138-S140 PolarHBondContact O-N 3.2Å; S140-K142 PolarHBondContact O-N 3.05Å; S140-E143 PolarHBondContact N-OE2 2.98Å; S140-E143 PolarHBondContact O-N 3.15Å; S140-E143 VanDerWaalsContact OG-CD 3.23Å; S140-E143 WeakPolarHBondContact OG-CG 3.34Å; S140-E143 PolarHBondContact OG-OE2 2.93Å
141F56Low60.6Low156 Ų156119.8 Ų119.868%0.68462%0.615SS**THydrogen-bonded Turntrans-54.1-21.7-179.7-176.6-97.8000113.4S147F141-S147 WeakPolarHBondContact O-CB 3.47Å; F141-S147 PolarHBondContact O-OG 2.83Å
142K59.5Low60Low172 Ų172120.8 Ų120.875%0.74862%0.619SS**THydrogen-bonded Turntrans-80.4-21177-67.6-176.9177.4179.90114.1S140 Q148S140-K142 PolarHBondContact O-N 3.05Å; K142-Q148 PolarHBondContact O-NE2 3.49Å; K142-Q148 VanDerWaalsContact O-NE2 3.09Å
143E61.5Low59.8Low121 Ų121120.6 Ų120.657%0.56561%0.612SS**THydrogen-bonded Turntrans-100.6-0.1-173.9-67.6166.6148.700113.4R139 S140R139-E143 HydrophobicContact CB-CB 4.25Å; S140-E143 PolarHBondContact N-OE2 2.98Å; S140-E143 PolarHBondContact O-N 3.15Å; S140-E143 VanDerWaalsContact OG-CD 3.23Å; S140-E143 WeakPolarHBondContact OG-CG 3.34Å; S140-E143 PolarHBondContact OG-OE2 2.93Å
144S69.9Low59.7Low45 Ų45117.9 Ų117.932%0.31561%0.611SS.*  trans-89.3119.3173.8-177.70000110.5K146 S147 Q148S144-K146 PolarHBondContact O-N 3.23Å; S144-K146 VanDerWaalsContact O-N 3.15Å; S144-S147 WeakPolarHBondContact CB-OG 3.33Å; S144-S147 PolarHBondContact O-N 3.37Å; S144-S147 VanDerWaalsContact O-N 3.15Å; S144-S147 PolarHBondContact O-OG 2.98Å; S144-Q148 PolarHBondContact O-N 3.4Å
145E63.6Low59.9Low148 Ų148120.3 Ų120.369%0.69262%0.616SS**Hα-helixtrans-60.9-24.4176-70.3-175.1154.600112.8K149E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.68Å
146K59.7Low59.9Low171 Ų171122.5 Ų122.574%0.74362%0.616SS**Hα-helixtrans-70.6-40175.9-80.3-175.5176.5-179.50112S144 K149 T150S144-K146 PolarHBondContact O-N 3.23Å; S144-K146 VanDerWaalsContact O-N 3.15Å; K146-K149 PolarHBondContact O-N 3.08Å; K146-T150 PolarHBondContact O-N 3.28Å; K146-T150 VanDerWaalsContact O-N 3.15Å; K146-T150 PolarHBondContact O-OG1 2.86Å
147S61.8Low59.3Low11 Ų11124.5 Ų124.58%0.07762%0.62CS.*Hα-helixtrans-72.2-35.3178.354.80000111.8F141 S144 K149 T150 V151F141-S147 WeakPolarHBondContact O-CB 3.47Å; F141-S147 PolarHBondContact O-OG 2.83Å; S144-S147 WeakPolarHBondContact CB-OG 3.33Å; S144-S147 PolarHBondContact O-N 3.37Å; S144-S147 VanDerWaalsContact O-N 3.15Å; S144-S147 PolarHBondContact O-OG 2.98Å; S147-K149 VanDerWaalsContact C-N 3.29Å; S147-K149 PolarHBondContact O-N 3.11Å; S147-T150 PolarHBondContact O-N 2.68Å; S147-V151 WeakPolarHBondContact O-CG2 3.4Å; S147-V151 PolarHBondContact O-N 3.08Å
148Q59.5Low58.3Low110 Ų110128.9 Ų128.951%0.51463%0.626SS.*Hα-helixtrans-63.7-35.1172.8-67.8-165.76.400112.6K142 S144 V151 K152K142-Q148 PolarHBondContact O-NE2 3.49Å; K142-Q148 VanDerWaalsContact O-NE2 3.09Å; S144-Q148 PolarHBondContact O-N 3.4Å; Q148-V151 PolarHBondContact O-N 2.97Å; Q148-K152 WeakPolarHBondContact O-CB 3.27Å; Q148-K152 PolarHBondContact O-N 3.4Å
149K63.3Low56.9Low146 Ų146123.9 Ų123.964%0.63562%0.623SS**Hα-helixtrans-66.7-39.5173.3-75.6176.3-178.21790111.9E145 K146 S147 K152 S153E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.68Å; K146-K149 PolarHBondContact O-N 3.08Å; S147-K149 VanDerWaalsContact C-N 3.29Å; S147-K149 PolarHBondContact O-N 3.11Å; K149-K152 PolarHBondContact O-N 2.67Å; K149-S153 WeakPolarHBondContact O-CB 3.1Å; K149-S153 PolarHBondContact O-N 2.88Å; K149-S153 PolarHBondContact O-OG 2.91Å; K149-S153 VanDerWaalsContact O-OG 3.05Å
150T63.3Low55.4Low81 Ų81118.2 Ų118.250%0.49763%0.625SS.*Hα-helixtrans-65.2-40175.4-44.70000112.3K146 S147 S153 M154K146-T150 PolarHBondContact O-N 3.28Å; K146-T150 VanDerWaalsContact O-N 3.15Å; K146-T150 PolarHBondContact O-OG1 2.86Å; S147-T150 PolarHBondContact O-N 2.68Å; T150-S153 WeakPolarHBondContact CA-OG 3.15Å; T150-S153 PolarHBondContact O-N 2.84Å; T150-S153 PolarHBondContact O-OG 3.44Å; T150-M154 PolarHBondContact O-N 3.46Å
151V59.8Low53.8Low72 Ų72122.4 Ų122.444%0.43664%0.643SS.*Hα-helixtrans-69.2-42.91761760000111.3S147 Q148 S153 M154 I155S147-V151 WeakPolarHBondContact O-CG2 3.4Å; S147-V151 PolarHBondContact O-N 3.08Å; Q148-V151 PolarHBondContact O-N 2.97Å; V151-S153 VanDerWaalsContact C-N 3.34Å; V151-S153 PolarHBondContact O-N 3.35Å; V151-M154 PolarHBondContact O-N 3.43Å; V151-I155 HydrophobicContact CG1-CD1 3.91Å; V151-I155 WeakPolarHBondContact O-CG1 3.32Å; V151-I155 PolarHBondContact O-N 3.3Å
152K58.6Low52.7Low155 Ų155122.8 Ų122.867%0.67465%0.645SS**Hα-helixtrans-61.9-38.7174-84.5-175.2173.1-177.30112.6Q148 K149 M154 I155 E156Q148-K152 WeakPolarHBondContact O-CB 3.27Å; Q148-K152 PolarHBondContact O-N 3.4Å; K149-K152 PolarHBondContact O-N 2.67Å; K152-M154 VanDerWaalsContact C-N 3.27Å; K152-M154 PolarHBondContact O-N 2.88Å; K152-I155 PolarHBondContact O-N 3.49Å; K152-E156 PolarHBondContact O-N 3.03Å
153S58.3Low51.1Low84 Ų84119.4 Ų119.459%0.58764%0.642SS**Hα-helixtrans-71.4-16.6176.758.40000114.6K149 T150 V151K149-S153 WeakPolarHBondContact O-CB 3.1Å; K149-S153 PolarHBondContact O-N 2.88Å; K149-S153 PolarHBondContact O-OG 2.91Å; K149-S153 VanDerWaalsContact O-OG 3.05Å; T150-S153 WeakPolarHBondContact CA-OG 3.15Å; T150-S153 PolarHBondContact O-N 2.84Å; T150-S153 PolarHBondContact O-OG 3.44Å; V151-S153 VanDerWaalsContact C-N 3.34Å; V151-S153 PolarHBondContact O-N 3.35Å
154M55.7Low49.7Very low157 Ų157122.5 Ų122.577%0.77365%0.654SS**Hα-helixtrans-85.7-22.2171.5-88.4-177.7172.900113T150 V151 K152T150-M154 PolarHBondContact O-N 3.46Å; V151-M154 PolarHBondContact O-N 3.43Å; K152-M154 VanDerWaalsContact C-N 3.27Å; K152-M154 PolarHBondContact O-N 2.88Å
155I57.8Low47.7Very low131 Ų131127.9 Ų127.967%0.67267%0.674SS**Hα-helixtrans-88.5-22.6-176.2-65.3167.9000111.9V151 K152 T157V151-I155 HydrophobicContact CG1-CD1 3.91Å; V151-I155 WeakPolarHBondContact O-CG1 3.32Å; V151-I155 PolarHBondContact O-N 3.3Å; K152-I155 PolarHBondContact O-N 3.49Å; I155-T157 PolarHBondContact O-N 2.69Å
156E51.3Low46Very low168 Ų168129 Ų12979%0.78568%0.68SS**  trans-95.587.3174.4-76.6-178.7175.700112.1K152K152-E156 PolarHBondContact O-N 3.03Å
157T40.3Very low44.4Very low128 Ų128124.8 Ų124.879%0.78568%0.684SS**  trans-133.3138.2144.734.40000111.1I155I155-T157 PolarHBondContact O-N 2.69Å
158K37.5Very low42.7Very low213 Ų213128 Ų12893%0.92672%0.72SS**  trans85.7101.6169.7-68.1-176.4173.2178.60117.9
159G31.2Very low41.3Very low82 Ų82132.2 Ų132.285%0.84574%0.736SS**  trans161.894.7146.100000115.8
160G29.9Very low39.6Very low77 Ų77134.2 Ų134.279%0.79475%0.745SS**  trans84.9100.1135.300000121
161D31.3Very low37.9Very low142 Ų142137.1 Ų137.176%0.75976%0.757SS**  88.2140116.1-14310.3000122.6
162K32.6Very low36.4Very low165 Ų165142 Ų14272%0.71777%0.772SS**  trans8490.4157.2-55.1-158.5-177.6172.60122.7
163S27.4Very low35Very low100 Ų100141 Ų14170%0.69978%0.775SS**  59.7129.5106.270.10000123.4
164K30.5Very low33.6Very low187 Ų187142.5 Ų142.581%0.81378%0.781SS**  trans86.6112147.9-73-179.5175.7-177.50118.4
165E28.2Very low32.3Very low157 Ų157143.9 Ų143.973%0.73478%0.782SS**  65.3129.181-103-169.2-15900111.6
166Q28.6Very low30.8Very low173 Ų173145.5 Ų145.581%0.80878%0.784SS**  cis-154.8164.423.3-81.7154.418.400105.5
167G25.3Very low29.6Very low81 Ų81146 Ų14684%0.83579%0.787SS**  cis148.1141.920.500000106
168G26.7Very low28.8Very low80 Ų80144.8 Ų144.883%0.82579%0.79SS**  trans164.667.9175.900000119.2
169K29.1Very low28.2Very low198 Ų198140.3 Ų140.386%0.86179%0.785SS**  trans33.8122.1145.5-84.4173.9177.9169.40121.8
170K28.1Very low28.1Very low188 Ų188141 Ų14182%0.81778%0.783SS**  50.8133.7120.7-84-175.1179.8-178.20117.9
171N28.2Very low28Very low141 Ų141144.2 Ų144.275%0.75479%0.787SS**  cis-173169.616-152.85.2000110.4
172K28.3Very low27.8Very low174 Ų174145.9 Ų145.976%0.75779%0.79SS**  trans9297.2157.7-91.8-175.3169.7177.10120.5
173N28.5Very low28.8Very low135 Ų135143.3 Ų143.372%0.72279%0.79SS**  55.7135.1109.8-86.819.3000120.2
174T28.8Very low29.4Very low116 Ų116144.4 Ų144.471%0.71280%0.795SS**  cis-177.7164.8-2.29.20000109.4
175K28.3Very low29.3Very low186 Ų186145.8 Ų145.881%0.80980%0.801SS**  trans88.2135169.1-72.3-175.9171.1171.80114.7
176K27.3Very low29.3Very low164 Ų164142.2 Ų142.271%0.71381%0.807SS**  cis-166137.37.1-122.7179.2175.9-166.80103.1
177E25Very low29.3Very low178 Ų178141.3 Ų141.383%0.83281%0.807SS**  171.5146.380.4-112.3162.5-161.200106.3
178A25.3Very low29.5Very low104 Ų104146.4 Ų146.486%0.8681%0.81SS**  trans-137.4131.7174.600000111.1
179S24.5Very low29.5Very low118 Ų118146 Ų14683%0.82581%0.805SS**  trans-85157.8166.742.60000111.9
180A28.5Very low29.5Very low96 Ų96147 Ų14779%0.79381%0.809SS**  trans-58.5161.1177.300000115.7
181V27.1Very low29.4Very low146 Ų146144.4 Ų144.489%0.88581%0.81SS**  trans-144.1140.2158.6-178.40000109
182E27.5Very low29.9Very low177 Ų177143.1 Ų143.183%0.82781%0.809SS**  trans-80.9-151.3173-60.6-179124.900112.9
183P53.2Low30.6Very low110 Ų110140 Ų14071%0.71481%0.807SS**  -114.1-158.4-10243.6-22.9000110.3
184P41.2Very low30.5Very low124 Ų124139.5 Ų139.581%0.80581%0.814SS**  -153.3-166.560.637.3-10.7000116.1
185K28.8Very low30.4Very low215 Ų215137.2 Ų137.294%0.93581%0.813SS**  trans-76.1162.9-163.7-62.1173.8172.6178.40118
186G27.4Very low30.5Very low83 Ų83137.7 Ų137.786%0.85682%0.818SS**  trans-162.1138.9154.700000111.5
187D28.1Very low30.5Very low153 Ų153139.1 Ų139.182%0.81882%0.824SS**  trans-108.2152.4-164.3-177.225.8000112.9
188Q30Very low30.5Very low189 Ų189138.1 Ų138.188%0.88383%0.825SS**  trans162.6112.5143.6-90.5179.333.700114.5
189G26.8Very low30.7Very low71 Ų71139.9 Ų139.973%0.73283%0.825SS**  79121.212200000124.1
190K28.1Very low30.8Very low218 Ų218143 Ų14395%0.94883%0.828SS**  trans103.1124150.3-62.2-178.1178.3177.40119.7
191T27.7Very low30.9Very low134 Ų134146.2 Ų146.282%0.82283%0.832SS**  trans-83.5177.6168.843.60000113
192P38.6Very low31Very low114 Ų114142.5 Ų142.574%0.7482%0.823SS**  cis-132.5-147.9-13.431-5.7000111.3
193P42.1Very low31.4Very low109 Ų109142 Ų14271%0.70883%0.826SS**  -122.4-173-65.633.5-15.8000113.1
194S26.1Very low30.7Very low125 Ų125146.5 Ų146.587%0.87484%0.838SS**  trans91.1140.1158.181.20000118.3
195G26.6Very low30.8Very low68 Ų68143.7 Ų143.770%0.70183%0.831SS**  trans126.597.8165.700000113.4K197G195-K197 PolarHBondContact O-N 3.35Å
196Q31.6Very low32.3Very low195 Ų195139.1 Ų139.191%0.91182%0.817SS**  trans-42.2134.2156.7-75.3164.5-38.500110.1
197K26.9Very low34.2Very low194 Ų194138.4 Ų138.484%0.84380%0.796SS**  trans-134.4122.8160.7-83.5-167.3177-179.30110.8G195G195-K197 PolarHBondContact O-N 3.35Å
198D25.3Very low35.8Very low158 Ų158135.9 Ų135.985%0.84579%0.788SS**  trans-39.4139.9156.1-56.9-69.6000112.7
199V29.3Very low37.4Very low140 Ų140134.3 Ų134.385%0.84878%0.78SS**  trans-113.4103.8156.3-179.10000107.3
200M26.4Very low39.3Very low184 Ų184135.4 Ų135.491%0.90677%0.767SS**  trans-56.9125.4162.6-132.1152.165.400109.1
201N30.5Very low41.2Very low163 Ų163129 Ų12987%0.87274%0.742SS**  trans-127.9130.9157.5-153.24.4000108.5
202G28.8Very low42.9Very low68 Ų68128.3 Ų128.370%0.70173%0.731SS**  trans-76.8139-166.100000113.9
203N35.9Very low44.5Very low166 Ų166129 Ų12989%0.88872%0.724SS**  trans-157.3114.7135.6-136.70.4000107.7G205N203-G205 PolarHBondContact O-N 3.02Å
204Q39.1Very low45.9Very low205 Ų205130.3 Ų130.396%0.95872%0.719SS**  trans-67.998.7-178.6-76.3172.4-14.400109.7
205G41.8Very low48.1Very low65 Ų65131.6 Ų131.667%0.6771%0.708SS**PPolyproline II helixtrans-86.9137.2163.800000110.2N203N203-G205 PolarHBondContact O-N 3.02Å
206L60.2Low50.1Low120 Ų120136.8 Ų136.863%0.62871%0.707SS**PPolyproline II helixtrans-52.5143.7174.6-67.2158000111E210L206-E210 VanDerWaalsContact CD2-OE2 3.23Å; L206-E210 WeakPolarHBondContact CD2-OE2 3.47Å
207T68.3Low51.9Low68 Ų68133.6 Ų133.642%0.41769%0.692SS.*PPolyproline II helixtrans-72.1152.2-175.660.10000111.1E209 E210 I211T207-E209 PolarHBondContact O-N 3.19Å; T207-E209 VanDerWaalsContact O-N 3.07Å; T207-E210 PolarHBondContact N-OE2 2.93Å; T207-E210 PolarHBondContact O-N 3.44Å; T207-E210 VanDerWaalsContact O-N 3.15Å; T207-I211 PolarHBondContact O-N 2.83Å
208P60.8Low53.9Low100 Ų100129.1 Ų129.165%0.64968%0.677SS**Hα-helixtrans-57.1-23.8179.4-26.635.3000114.5M212P208-M212 PolarHBondContact O-N 3.28Å
209E63.4Low55.6Low155 Ų155127.9 Ų127.972%0.72467%0.665SS**Hα-helixtrans-73.3-41.6178.7-69.9170.1165.100111.6T207 I211 M212 E213T207-E209 PolarHBondContact O-N 3.19Å; T207-E209 VanDerWaalsContact O-N 3.07Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3.36Å; E209-M212 PolarHBondContact O-N 2.99Å; E209-E213 PolarHBondContact O-N 3.39Å; E209-E213 VanDerWaalsContact O-N 3.1Å
210E66.8Low57.1Low95 Ų95127.3 Ų127.344%0.44465%0.651SS.*Hα-helixtrans-67.2-30177.2-69.1175.2151.700112.9L206 T207 K214L206-E210 VanDerWaalsContact CD2-OE2 3.23Å; L206-E210 WeakPolarHBondContact CD2-OE2 3.47Å; T207-E210 PolarHBondContact N-OE2 2.93Å; T207-E210 PolarHBondContact O-N 3.44Å; T207-E210 VanDerWaalsContact O-N 3.15Å; E210-K214 PolarHBondContact O-N 3.2Å
211I69.9Low58.9Low82 Ų82127.3 Ų127.342%0.42164%0.641SS.*Hα-helixtrans-72.3-35175.4-63.5173.5000110.9T207 E209 K215T207-I211 PolarHBondContact O-N 2.83Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3.36Å; I211-K215 HydrophobicContact CG2-CD 4.43Å; I211-K215 WeakPolarHBondContact O-CG 3.45Å; I211-K215 PolarHBondContact O-N 3.29Å
212M63.3Low60.3Low121 Ų121128.2 Ų128.260%0.59664%0.637SS**Hα-helixtrans-74.4-33.9-179.5-136.8-178.4-61.100111.6P208 E209 K215 R216P208-M212 PolarHBondContact O-N 3.28Å; E209-M212 PolarHBondContact O-N 2.99Å; M212-K215 PolarHBondContact O-N 2.81Å; M212-R216 PolarHBondContact O-N 2.98Å
213E70.8Confident61.4Low129 Ų129134.4 Ų134.460%0.60364%0.639SS**Hα-helixtrans-69.8-45.9177-153.9159.1-142.400111.5E209 K215 R216 E217E209-E213 PolarHBondContact O-N 3.39Å; E209-E213 VanDerWaalsContact O-N 3.1Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.21Å; E213-R216 WeakPolarHBondContact O-CB 3.45Å; E213-R216 PolarHBondContact O-N 3.26Å; E213-R216 VanDerWaalsContact O-N 3.08Å; E213-E217 WeakPolarHBondContact O-CG 3.3Å; E213-E217 PolarHBondContact O-N 2.88Å
214K71.7Confident61.9Low136 Ų136134.3 Ų134.359%0.59164%0.635SS**Hα-helixtrans-59.5-37.9172.1-84.2-177175.2174.10113.6E210 E217 D218E210-K214 PolarHBondContact O-N 3.2Å; K214-E217 PolarHBondContact O-N 3.32Å; K214-D218 PolarHBondContact O-N 3.25Å
215K73Confident62.1Low151 Ų151132.2 Ų132.266%0.65763%0.628SS**Hα-helixtrans-70-31175.9-77.5-179.6179.8178.60112.7I211 M212 E213 F219I211-K215 HydrophobicContact CG2-CD 4.43Å; I211-K215 WeakPolarHBondContact O-CG 3.45Å; I211-K215 PolarHBondContact O-N 3.29Å; M212-K215 PolarHBondContact O-N 2.81Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.21Å; K215-F219 WeakPolarHBondContact O-CB 3.47Å; K215-F219 PolarHBondContact O-N 3Å
216R68.1Low62.1Low178 Ų178132 Ų13267%0.67263%0.626SS**Hα-helixtrans-69.9-44171.5-91.4179.8171.9166.2-0.9111.2M212 E213 F219 F220M212-R216 PolarHBondContact O-N 2.98Å; E213-R216 WeakPolarHBondContact O-CB 3.45Å; E213-R216 PolarHBondContact O-N 3.26Å; E213-R216 VanDerWaalsContact O-N 3.08Å; R216-F219 PolarHBondContact O-N 3.16Å; R216-F220 VanDerWaalsContact O-CD2 3.23Å; R216-F220 WeakPolarHBondContact O-CD2 3.17Å; R216-F220 PolarHBondContact O-N 3.47Å
217E68.9Low60.9Low128 Ų128133 Ų13360%0.59864%0.639SS**Hα-helixtrans-61.5-44.2178.1-71.8-178160.600112.5E213 K214 F219 F220 R221E213-E217 WeakPolarHBondContact O-CG 3.3Å; E213-E217 PolarHBondContact O-N 2.88Å; K214-E217 PolarHBondContact O-N 3.32Å; E217-F219 VanDerWaalsContact C-N 3.3Å; E217-F219 PolarHBondContact O-N 3.36Å; E217-F220 PolarHBondContact O-N 3Å; E217-R221 WeakPolarHBondContact O-CB 3.14Å; E217-R221 PolarHBondContact O-N 3.3Å
218D69.2Low59.3Low100 Ų100134.6 Ų134.654%0.53566%0.659SS.*Hα-helixtrans-66.8-30.3176.1-92.6-16.6000113K214 K222K214-D218 PolarHBondContact O-N 3.25Å; D218-K222 PolarHBondContact O-N 2.94Å; D218-K222 VanDerWaalsContact O-N 3.15Å
219F61.5Low57.9Low132 Ų132138.9 Ų138.958%0.57967%0.671SS**Hα-helixtrans-72.6-39.8175.3-167.3-97.1000112K215 R216 E217 R223K215-F219 WeakPolarHBondContact O-CB 3.47Å; K215-F219 PolarHBondContact O-N 3Å; R216-F219 PolarHBondContact O-N 3.16Å; E217-F219 VanDerWaalsContact C-N 3.3Å; E217-F219 PolarHBondContact O-N 3.36Å; F219-R223 PolarHBondContact O-N 2.92Å
220F60.9Low56.2Low128 Ų128141.1 Ų141.156%0.56168%0.678SS**Hα-helixtrans-69-35.8173.6-83.4-72.9000112.2R216 E217 R223 M224R216-F220 VanDerWaalsContact O-CD2 3.23Å; R216-F220 WeakPolarHBondContact O-CD2 3.17Å; R216-F220 PolarHBondContact O-N 3.47Å; E217-F220 PolarHBondContact O-N 3Å; F220-R223 PolarHBondContact O-N 3.4Å; F220-M224 WeakPolarHBondContact O-CG 3.48Å; F220-M224 PolarHBondContact O-N 3.41Å
221R64.6Low54.6Low184 Ų184142.6 Ų142.669%0.69470%0.696SS**Hα-helixtrans-64.2-39.7175.5-171.4177.7172.5-170.3-0.4112.8E217 R223E217-R221 WeakPolarHBondContact O-CB 3.14Å; E217-R221 PolarHBondContact O-N 3.3Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.25Å
222K58.7Low52.7Low182 Ų182144.6 Ų144.679%0.79172%0.717SS**Hα-helixtrans-72-21.7175.9-86.1179.8175.8174.20114.1D218D218-K222 PolarHBondContact O-N 2.94Å; D218-K222 VanDerWaalsContact O-N 3.15Å
223R51.7Low51.2Low197 Ų197148.4 Ų148.474%0.74373%0.73SS**Hα-helixtrans-93.2-13.6-178-159.2171.5175.8173.2-1.6113.7F219 F220 R221F219-R223 PolarHBondContact O-N 2.92Å; F220-R223 PolarHBondContact O-N 3.4Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.25Å
224M47.8Very low49.3Very low164 Ų164147.8 Ų147.881%0.80874%0.74SS**SBendtrans-90.2-0.7176-75.3-79.3-17100114.1F220F220-M224 WeakPolarHBondContact O-CG 3.48Å; F220-M224 PolarHBondContact O-N 3.41Å
225M42.6Very low47.6Very low162 Ų162147.3 Ų147.380%0.79875%0.751SS**  trans-96.895.5170.9-70.617677.500109.6
226G41.3Very low45.7Very low61 Ų61149.7 Ų149.763%0.62976%0.761SS**PPolyproline II helixtrans-71.1168.3169.600000112.8A228G226-A228 PolarHBondContact O-N 3.15Å
227P36.2Very low44.1Very low139 Ų139146.6 Ų146.690%0.90376%0.764SS**PPolyproline II helixtrans-74122.1-171.829.2-31.2000111.2
228A33.5Very low42.5Very low103 Ų103146.4 Ų146.485%0.85177%0.774SS**PPolyproline II helixtrans-94.6139.6173.200000111.5G226G226-A228 PolarHBondContact O-N 3.15Å
229E32.1Very low40.8Very low190 Ų190150.8 Ų150.889%0.88879%0.788SS**PPolyproline II helixtrans-67.6160.4-169.1-64.5176.6135.100115.6
230K28.8Very low39.6Very low202 Ų202150.3 Ų150.388%0.87880%0.798SS**PPolyproline II helixtrans-68.7134.1175-66.6175.8178.31740111.8
231P32.7Very low38.4Very low126 Ų126153.9 Ų153.982%0.81881%0.813SS**PPolyproline II helixtrans-87.3159.1157.523.8-11.8000112.2
232S30.2Very low36.9Very low123 Ų123148.3 Ų148.386%0.8681%0.814SS**PPolyproline II helixtrans-74.5165.9-16346.80000116.6
233K31.4Very low35.7Very low202 Ų202149.4 Ų149.488%0.87882%0.819SS**PPolyproline II helixtrans-63.1138.1-178.2-67.1171.5174.7173.90114.2
234S29.6Very low35.2Very low115 Ų115146.5 Ų146.580%0.80482%0.822SS**  160.5160.9123.4-67.90000111.2
235P36.6Very low34.7Very low126 Ų126145.6 Ų145.682%0.81882%0.821SS**  cis-116.1161.6-45.328.6-10.5000112.4
236K32.9Very low34.8Very low201 Ų201147.9 Ų147.987%0.87482%0.82SS**PPolyproline II helixtrans-71138.3-178.5-77.3175.3176.3173.40112.4
237P35.8Very low34.7Very low113 Ų113150.7 Ų150.773%0.73483%0.825SS**PPolyproline II helixtrans-68.1150.2164.328.7-31.4000110.6K239P237-K239 PolarHBondContact O-N 2.85Å
238P35Very low34.6Very low124 Ų124153.5 Ų153.581%0.80582%0.818SS**PPolyproline II helixtrans-65.1133.5-178.425.7-31.3000110.8
239K33.1Very low34.8Very low193 Ų193156.2 Ų156.284%0.83982%0.818SS**PPolyproline II helixtrans-58.9132.7174.8-71.1179.7175.6-178.40109.5P237 K241P237-K239 PolarHBondContact O-N 2.85Å; K239-K241 PolarHBondContact O-N 3.37Å
240P36.2Very low35.6Very low121 Ų121155 Ų15579%0.78682%0.818SS**PPolyproline II helixtrans-60.6133.6161.725.5-29.3000108G242P240-G242 PolarHBondContact O-N 3.27Å
241K35.8Very low35.7Very low203 Ų203148 Ų14888%0.88380%0.803SS**PPolyproline II helixtrans-49128.7171.5-70.4176.8177.21770107.8K239 K243K239-K241 PolarHBondContact O-N 3.37Å; K241-K243 PolarHBondContact O-N 2.97Å
242G33.4Very low35.7Very low68 Ų68145.9 Ų145.970%0.70180%0.804SS**PPolyproline II helixtrans-50.7129.517900000109.8P240 V244P240-G242 PolarHBondContact O-N 3.27Å; G242-V244 PolarHBondContact O-N 2.99Å
243K33.8Very low35.9Very low205 Ų205146.3 Ų146.389%0.89181%0.807SS**PPolyproline II helixtrans-55.3116.7167.3-87.1-177.7173.9-178.50106.8K241 N245K241-K243 PolarHBondContact O-N 2.97Å; K243-N245 PolarHBondContact O-N 2.85Å
244V40.7Very low36.5Very low135 Ų135140.5 Ų140.582%0.81879%0.792SS**PPolyproline II helixtrans-58.6126.6164.8179.60000105.9G242 R246G242-V244 PolarHBondContact O-N 2.99Å; V244-R246 PolarHBondContact O-N 2.93Å
245N36.3Very low36.8Very low145 Ų145141.7 Ų141.778%0.77579%0.794SS**PPolyproline II helixtrans-55125172.3-77.2-12.4000108.3K243 V247K243-N245 PolarHBondContact O-N 2.85Å; N245-V247 PolarHBondContact O-N 2.62Å
246R46.3Very low36.9Very low210 Ų210145 Ų14579%0.79280%0.796SS**  trans-63.8109.7165.7179.1177.7-91.2176.2-7.4106.7V244 W248V244-R246 PolarHBondContact O-N 2.93Å; R246-W248 PolarHBondContact O-N 3.19Å
247V38.1Very low37.2Very low120 Ų120141.5 Ų141.573%0.72779%0.786SS**  trans-71.2123.3167.2178.20000106.1N245N245-V247 PolarHBondContact O-N 2.62Å
248W34.8Very low37.4Very low198 Ų198142.9 Ų142.975%0.7579%0.787SS**  trans-79123.3168.7-7258.7000106.6R246 N250 G251R246-W248 PolarHBondContact O-N 3.19Å; W248-N250 PolarHBondContact O-N 3.47Å; W248-G251 PolarHBondContact O-N 3.32Å
249D37.3Very low37.4Very low161 Ų161142.7 Ų142.786%0.86178%0.779SS**THydrogen-bonded Turntrans-64-0.5179.1-88.9-26.5000113.8
250N48.5Very low38Very low165 Ų165143.6 Ų143.688%0.88278%0.779SS**THydrogen-bonded Turntrans-122.721.9172.6-72.9-21.7000114W248W248-N250 PolarHBondContact O-N 3.47Å
251G31.4Very low38.1Very low55 Ų55141.9 Ų141.957%0.56777%0.769SS**  trans-96.3107.3174.300000112.4W248 S253W248-G251 PolarHBondContact O-N 3.32Å; G251-S253 PolarHBondContact O-N 3.48Å
252G33.8Very low38Very low81 Ų81139.9 Ų139.984%0.83577%0.769SS**  trans-52.8135.417200000112.6S254G252-S254 PolarHBondContact O-N 3.33Å
253S34.3Very low38.3Very low131 Ų131146.3 Ų146.392%0.91678%0.777SS**SBendtrans-69.7102.8-177.3-179.10000112G251G251-S253 PolarHBondContact O-N 3.48Å
254S43.1Very low38.2Very low81 Ų81144.6 Ų144.657%0.56678%0.778SS**  trans-165.871.2154.5-165.20000112.6G252G252-S254 PolarHBondContact O-N 3.33Å
255T36.7Very low37.7Very low139 Ų139141.5 Ų141.585%0.85377%0.774SS**  trans-98.19.2170.244.40000113.4
256K37.5Very low37.3Very low197 Ų197143.3 Ų143.386%0.85778%0.777SS**SBendtrans-89.7-7.7-176.4-93.7-175.6175.91790116.3
257N40.4Very low36.5Very low126 Ų126139.9 Ų139.967%0.67478%0.78SS**SBendtrans-120.626-171.8-76.4-7.5000115.6
258L38.1Very low35.9Very low142 Ų142140 Ų14074%0.74379%0.786SS**  trans-117.930.1-178.2-68.9171.8000114.2
259D35.4Very low35.8Very low120 Ų120139 Ų13964%0.64279%0.794SS**  trans-109.2106.6169.6-170.2-1.3000110.7S261D259-S261 WeakPolarHBondContact OD1-CB 3.41Å; D259-S261 PolarHBondContact OD1-N 3.37Å; D259-S261 PolarHBondContact OD1-OG 2.98Å
260Y45.5Very low35.3Very low213 Ų213134.8 Ų134.884%0.83579%0.789SS**  trans-102.627.3176-69.4-77.7000112.6
261S39.7Very low34.6Very low84 Ų84136 Ų13659%0.58779%0.789SS**  trans-108.355.3-179.270.80000113.7D259D259-S261 WeakPolarHBondContact OD1-CB 3.41Å; D259-S261 PolarHBondContact OD1-N 3.37Å; D259-S261 PolarHBondContact OD1-OG 2.98Å
262N33Very low34.3Very low162 Ų162141 Ų14187%0.86680%0.803SS**  trans-124.3104.7163.8-88.6-29.4000112
263K38.9Very low34.4Very low202 Ų202146.7 Ų146.788%0.87881%0.808SS**  trans-84120.4158.1-81.6179.9174.1177.50108.1
264N32.5Very low34.4Very low169 Ų169149.5 Ų149.590%0.90480%0.804SS**  trans-165.2138137.5-95-14.3000109.5
265G30.5Very low33.8Very low71 Ų71152.6 Ų152.673%0.73281%0.814SS**  trans-86.8-178.7-171.800000115
266E28.3Very low33.4Very low182 Ų182154.8 Ų154.885%0.8582%0.82SS**  trans81.6100.4176.1-59.2-170.9159.700116.4
267T28.2Very low33Very low139 Ų139153.4 Ų153.485%0.85382%0.816SS**  174.2144.691.228.50000113.3
268S27Very low32.7Very low121 Ų121150.6 Ų150.685%0.84681%0.81SS**  trans67.5114.1155.5-144.60000121.7
269L32Very low32.2Very low177 Ų177153.3 Ų153.393%0.92782%0.819SS**  trans-61.6133.8156.4-69.3155.9000110.2
270G25.9Very low32.5Very low73 Ų73156.3 Ų156.375%0.75383%0.827SS**  trans-167.3126.6168.700000108.3
271E33.4Very low31.8Very low191 Ų191152.3 Ų152.389%0.89382%0.82SS**  trans-58130.4-172.8-62.5168.9141.400112.6
272D26.6Very low31.7Very low161 Ų161154.2 Ų154.286%0.86183%0.83SS**  trans-17185.7141.7-94.4-30.2000109.7K274D272-K274 PolarHBondContact O-N 3.46Å
273Q35Very low31.8Very low199 Ų199154.4 Ų154.493%0.9383%0.826SS**  trans-8776.7174.9-161.4175.24100108.7
274K34.2Very low31.8Very low190 Ų190151.8 Ų151.883%0.82682%0.819SS**  trans-169.8137165.2-103.9161.1-171.2-1780108.8D272D272-K274 PolarHBondContact O-N 3.46Å
275N31.6Very low32Very low146 Ų146153 Ų15378%0.78182%0.819SS**  trans87.374-174.5-59.5-18.8000116.4
276L28.3Very low32.8Very low186 Ų186151.7 Ų151.797%0.97480%0.796SS**  trans-106.353.5150-94.5142.8000108.7
277E28.5Very low34.3Very low168 Ų168147.1 Ų147.179%0.78579%0.785SS**  trans-87.1104.2159.5-74.3-175.516700106.4Q279E277-Q279 PolarHBondContact O-N 3.49Å; E277-Q279 VanDerWaalsContact O-N 3.08Å
278A34.6Very low36.1Very low67 Ų67143.9 Ų143.955%0.55477%0.768SS**  trans-56.8115.3165.700000107.3F280A278-F280 HydrophobicContact CB-CD2 4.45Å; A278-F280 HydrophobicContact CB-CE2 4.01Å; A278-F280 HydrophobicContact CB-CZ 4.3Å; A278-F280 WeakPolarHBondContact O-CD2 3.43Å; A278-F280 PolarHBondContact O-N 2.9Å
279Q27.9Very low38.3Very low198 Ų198139.2 Ų139.293%0.92573%0.733SS**  trans-60.6102.6168.5-75.2176.9-15.100107.4E277E277-Q279 PolarHBondContact O-N 3.49Å; E277-Q279 VanDerWaalsContact O-N 3.08Å
280F39.9Very low40.1Very low183 Ų183138.7 Ų138.780%0.80372%0.723SS**  trans-81.1120.5173.6-75.1-82.3000108A278 P282A278-F280 HydrophobicContact CB-CD2 4.45Å; A278-F280 HydrophobicContact CB-CE2 4.01Å; A278-F280 HydrophobicContact CB-CZ 4.3Å; A278-F280 WeakPolarHBondContact O-CD2 3.43Å; A278-F280 PolarHBondContact O-N 2.9Å; F280-P282 VanDerWaalsContact O-CD 3.25Å; F280-P282 WeakPolarHBondContact O-CD 3.49Å
281D31.8Very low42.3Very low130 Ų130136.4 Ų136.470%0.69570%0.7SS**  trans-75111.8172.2-165.5-15.8000109.3E283D281-E283 VanDerWaalsContact C-N 3.29Å; D281-E283 PolarHBondContact O-N 3.38Å; D281-E283 PolarHBondContact OD1-N 3Å
282P38.4Very low44.2Very low123 Ų123134.7 Ų134.780%0.79970%0.697SS**THydrogen-bonded Turntrans-82.4-0.4-175.532.1-29.3000113.5F280F280-P282 VanDerWaalsContact O-CD 3.25Å; F280-P282 WeakPolarHBondContact O-CD 3.49Å
283E33.7Very low46.5Very low166 Ų166128.1 Ų128.178%0.77666%0.661SS**THydrogen-bonded Turntrans-9914.4-169.7-70.9-170.6158.400115.9D281 Q285D281-E283 VanDerWaalsContact C-N 3.29Å; D281-E283 PolarHBondContact O-N 3.38Å; D281-E283 PolarHBondContact OD1-N 3Å; E283-Q285 VanDerWaalsContact C-N 3.25Å; E283-Q285 PolarHBondContact O-N 3.23Å
284M40.2Very low48.4Very low147 Ų147124 Ų12472%0.72465%0.645SS**  trans-69.688167.1-157.4179.5-130.200108.8V286M284-V286 WeakPolarHBondContact O-CG2 3.43Å; M284-V286 PolarHBondContact O-N 3.39Å
285Q35.7Very low50.4Low194 Ų194116.7 Ų116.791%0.90762%0.618SS**  trans-54.8101.1-180-100.9-179.6-15.600110.4E283E283-Q285 VanDerWaalsContact C-N 3.25Å; E283-Q285 PolarHBondContact O-N 3.23Å
286V48.5Very low52.3Low44 Ų44110.5 Ų110.527%0.26759%0.585SS.*PPolyproline II helixtrans-84118.3170.5-174.80000106.9M284 Y452 L487 N633M284-V286 WeakPolarHBondContact O-CG2 3.43Å; M284-V286 PolarHBondContact O-N 3.39Å; V286-Y452 HydrophobicContact CG1-CE1 3.95Å; V286-Y452 HydrophobicContact CG1-CE2 4.46Å; V286-Y452 WeakPolarHBondContact CG1-OH 3.42Å; V286-L487 HydrophobicContact CG2-CD2 4.18Å; V286-N633 VanDerWaalsContact CG1-CG 3.44Å; V286-N633 WeakPolarHBondContact CG1-ND2 3.38Å; V286-N633 WeakPolarHBondContact CG1-OD1 3.19Å
287S58.2Low53.9Low86 Ų86106 Ų10660%0.60156%0.562SS**PPolyproline II helixtrans-59.5137.3172.1-178.20000110.8N633S287-N633 PolarHBondContact N-ND2 3.15Å; S287-N633 PolarHBondContact O-ND2 3.44Å; S287-N633 PolarHBondContact O-OD1 2.93Å
288S66.8Low54.9Low72 Ų72103.6 Ų103.650%0.50355%0.547SS..PPolyproline II helixtrans-65.6139.5179.4173.60000112.1K290 E456S288-K290 PolarHBondContact OG-N 2.9Å; S288-E456 WeakPolarHBondContact CA-OE2 3.27Å; S288-E456 VanDerWaalsContact CB-OE2 3.31Å; S288-E456 WeakPolarHBondContact CB-OE2 3.28Å; S288-E456 PolarHBondContact OG-OE2 3.46Å
289M73.8Confident55Low23 Ų23108.7 Ų108.711%0.11356%0.559CS.*  trans-104.930.1177.5-69.7-174.9127.200112.8G291 L293 Y452 W453 E456 N633 L635M289-G291 PolarHBondContact O-N 2.79Å; M289-L293 HydrophobicContact CE-CD2 3.92Å; M289-L293 HydrophobicContact SD-CD2 4.4Å; M289-Y452 HydrophobicContact CB-CE1 4.31Å; M289-Y452 HydrophobicContact CG-CD1 4.24Å; M289-Y452 HydrophobicContact CG-CE1 3.9Å; M289-Y452 HydrophobicContact SD-CD1 3.67Å; M289-Y452 HydrophobicContact SD-CE1 3.91Å; M289-W453 HydrophobicContact SD-CB 4.45Å; M289-E456 HydrophobicContact CB-CB 4.28Å; M289-E456 HydrophobicContact CB-CG 4.2Å; M289-E456 PolarHBondContact N-OE2 3.17Å; M289-N633 VanDerWaalsContact CE-C 3.5Å; M289-N633 VanDerWaalsContact CE-CA 3.46Å; M289-N633 HydrophobicContact CE-CB 4.43Å; M289-N633 WeakPolarHBondContact CE-O 3.32Å; M289-L635 HydrophobicContact CE-CB 3.81Å; M289-L635 VanDerWaalsContact CE-O 3.29Å; M289-L635 WeakPolarHBondContact CE-O 3.44Å
290K69.4Low55.1Low165 Ų165102.8 Ų102.872%0.71754%0.54SS*.  trans-66.5130.1-177.8-170.5175.4-176.91780111.7S288S288-K290 PolarHBondContact OG-N 2.9Å
291G71.6Confident54.6Low25 Ų2598.7 Ų98.726%0.25853%0.534SS..SBendtrans87.4-151.6179.100000114M289 W453 N457M289-G291 PolarHBondContact O-N 2.79Å; G291-W453 PolarHBondContact O-NE1 3.32Å; G291-N457 WeakPolarHBondContact CA-OD1 3.4Å; G291-N457 PolarHBondContact N-OD1 3.2Å
292D72.6Confident54.5Low156 Ų156100.1 Ų100.183%0.83454%0.536SS*.SBendtrans-66136.9179.9-71.9-19.4000111
293L75.8Confident54.1Low22 Ų22104.2 Ų104.212%0.11555%0.545CS..PPolyproline II helixtrans-67.5136.8176.1-71.5178.6000111M289 S295 W453 F625 L635 S637M289-L293 HydrophobicContact CE-CD2 3.92Å; M289-L293 HydrophobicContact SD-CD2 4.4Å; L293-S295 PolarHBondContact O-N 3Å; L293-W453 VanDerWaalsContact CD2-CD1 3.4Å; L293-W453 HydrophobicContact CD2-CG 4.05Å; L293-W453 HydrophobicContact CG-CG 4.43Å; L293-F625 HydrophobicContact CD1-CD1 3.37Å; L293-F625 HydrophobicContact CD1-CE1 3.33Å; L293-L635 HydrophobicContact CD1-CD2 3.95Å; L293-L635 HydrophobicContact CD1-CG 4.02Å; L293-S637 PolarHBondContact O-OG 3.44Å
294L75.6Confident53.8Low114 Ų11498.8 Ų98.860%0.59753%0.533SS*.PPolyproline II helixtrans-52.5135.4168.9-64.5171.4000110.1R636 S637L294-R636 VanDerWaalsContact CB-NH1 3.28Å; L294-R636 WeakPolarHBondContact O-CA 3.25Å; L294-R636 WeakPolarHBondContact O-CB 3.05Å; L294-R636 VanDerWaalsContact O-CD 3.27Å; L294-R636 WeakPolarHBondContact O-CD 3.47Å; L294-S637 PolarHBondContact O-N 3.36Å; L294-S637 PolarHBondContact O-OG 3.23Å
295S75.1Confident53.1Low35 Ų3599.9 Ų99.925%0.24554%0.537CS..BIsolated β-bridgetrans-62.3149.8171.629.70000110.9L293 D297 S637L293-S295 PolarHBondContact O-N 3Å; S295-D297 WeakPolarHBondContact CB-OD1 3.49Å; S295-D297 PolarHBondContact O-N 3.4Å; S295-D297 PolarHBondContact OG-OD1 3.04Å; S295-D297 VanDerWaalsContact OG-OD1 3.11Å; S295-D297 PolarHBondContact OG-OD2 3.37Å; S295-S637 CarbonylContact C-O 3.5Å; S295-S637 WeakPolarHBondContact CA-O 3.23Å; S295-S637 VanDerWaalsContact CA-OG 3.3Å; S295-S637 WeakPolarHBondContact CA-OG 3.38Å; S295-S637 PolarHBondContact N-OG 3.45Å
296V72.8Confident52.7Low17 Ų1797 Ų9710%0.10353%0.532CS..  trans-6794.4157.2-179.10000106.7F602 V626 T628 R636 S637 N639V296-F602 HydrophobicContact CG1-CD1 4.2Å; V296-F602 HydrophobicContact CG1-CE1 3.71Å; V296-F602 HydrophobicContact CG1-CZ 4.43Å; V296-V626 HydrophobicContact CG2-CB 3.71Å; V296-V626 HydrophobicContact CG2-CG1 3.84Å; V296-V626 HydrophobicContact CG2-CG2 4.05Å; V296-T628 HydrophobicContact CG2-CG2 4.17Å; V296-R636 HydrophobicContact CG2-CB 3.38Å; V296-R636 HydrophobicContact CG2-CG 4.04Å; V296-S637 PolarHBondContact N-O 3.38Å; V296-N639 WeakPolarHBondContact O-CB 3.38Å
297D60.5Low51.6Low91 Ų91101.7 Ų101.749%0.48755%0.551SS.*  trans-93.4125.3168.3-61.9-41.9000107.4S295 E299 N639S295-D297 WeakPolarHBondContact CB-OD1 3.49Å; S295-D297 PolarHBondContact O-N 3.4Å; S295-D297 PolarHBondContact OG-OD1 3.04Å; S295-D297 VanDerWaalsContact OG-OD1 3.11Å; S295-D297 PolarHBondContact OG-OD2 3.37Å; D297-E299 VanDerWaalsContact C-N 3.32Å; D297-E299 PolarHBondContact O-N 3.35Å; D297-N639 PolarHBondContact OD1-ND2 3.39Å; D297-N639 VanDerWaalsContact OD1-ND2 3.08Å
298Y49.7Very low50.2Low117 Ų117105.7 Ų105.746%0.45956%0.56SS.*  trans-75.992.7171.7-162.7-89.2000106.1S300 A646Y298-S300 PolarHBondContact O-N 3.39Å; Y298-A646 HydrophobicContact CD2-CB 4.07Å; Y298-A646 HydrophobicContact CE2-CB 4.3Å; Y298-A646 HydrophobicContact CG-CB 4.31Å
299E36.7Very low48.3Very low175 Ų175109.8 Ų109.882%0.81857%0.572SS**  trans-61104.6174-81.6-176.1173.100108.5D297 S301D297-E299 VanDerWaalsContact C-N 3.32Å; D297-E299 PolarHBondContact O-N 3.35Å; E299-S301 PolarHBondContact O-N 3.03Å
300S30.8Very low46.3Very low73 Ų73116.7 Ų116.751%0.5160%0.604SS.*  trans-66.389.7160.5-168.10000106.4Y298 E302Y298-S300 PolarHBondContact O-N 3.39Å; S300-E302 PolarHBondContact O-N 3.31Å; S300-E302 PolarHBondContact OG-O 3.05Å; S300-E302 VanDerWaalsContact OG-O 3.08Å
301S28.8Very low44.4Very low97 Ų97116.1 Ų116.168%0.67860%0.603SS**SBendtrans-6978.5160.660.20000107.4E299E299-S301 PolarHBondContact O-N 3.03Å
302E29.9Very low42.5Very low161 Ų161122.4 Ų122.475%0.75263%0.626SS**  trans160.894.2165.6-91.4164.7-152.500105S300 G304S300-E302 PolarHBondContact O-N 3.31Å; S300-E302 PolarHBondContact OG-O 3.05Å; S300-E302 VanDerWaalsContact OG-O 3.08Å; E302-G304 PolarHBondContact O-N 2.9Å
303E31.1Very low40.5Very low208 Ų208119 Ų11997%0.97261%0.61SS**  trans-65.974.9143.1-74.7-174.416800106
304G26.2Very low38.3Very low52 Ų52123 Ų12354%0.53664%0.636SS.*  trans-92.4129.8162.700000106.5E302 V306E302-G304 PolarHBondContact O-N 2.9Å; G304-V306 PolarHBondContact O-N 2.92Å
305E25.4Very low36.1Very low170 Ų170123.5 Ų123.579%0.79464%0.638SS**  trans-35.9136.3173.1-63.617016000111E307E305-E307 PolarHBondContact O-N 2.74Å
306V26.7Very low33.8Very low135 Ų135126.5 Ų126.582%0.81866%0.659SS**  trans-67.577.8165.1-174.60000106.2G304 E308G304-V306 PolarHBondContact O-N 2.92Å; V306-E308 HydrophobicContact CG1-CG 4.32Å; V306-E308 PolarHBondContact O-N 3.32Å
307E25.6Very low31.6Very low142 Ų142133.7 Ų133.766%0.66469%0.691SS**  trans-67.7108.8151.2-70.7-164.2160.700104.6E305 E309E305-E307 PolarHBondContact O-N 2.74Å; E307-E309 PolarHBondContact O-N 3.14Å
308E30.6Very low30.2Very low169 Ų169136 Ų13679%0.7971%0.709SS**  trans-60.279.6159.7-65.4-178.3166.800106.9V306 E310V306-E308 HydrophobicContact CG1-CG 4.32Å; V306-E308 PolarHBondContact O-N 3.32Å; E308-E310 PolarHBondContact O-N 2.95Å
309E26.4Very low29.2Very low159 Ų159134.7 Ų134.774%0.74372%0.717SS**  trans-64.895.6154.3-72.5-165173.100105E307 E311E307-E309 PolarHBondContact O-N 3.14Å; E309-E311 PolarHBondContact O-N 3.44Å
310E30.3Very low28.9Very low168 Ų168136.1 Ų136.179%0.78572%0.72SS**  trans-51.592.4158.3-67.6-174.7163.800106.6E308 E312E308-E310 PolarHBondContact O-N 2.95Å; E310-E312 PolarHBondContact O-N 2.86Å
311E30.8Very low28.9Very low152 Ų152140.3 Ų140.371%0.7174%0.735SS**  trans-61.993.6161.2-81.6-167.8162.200105.9E309 V313E309-E311 PolarHBondContact O-N 3.44Å; E311-V313 VanDerWaalsContact C-N 3.31Å; E311-V313 PolarHBondContact O-N 3.39Å
312E30.6Very low28.9Very low158 Ų158140.8 Ų140.874%0.73874%0.739SS**  trans-52.7103.5161.8-85.3-163.4157.400106.7E310 V314E310-E312 PolarHBondContact O-N 2.86Å; E312-V314 HydrophobicContact CB-CG2 4Å; E312-V314 PolarHBondContact O-N 3.11Å
313V31.8Very low29.1Very low83 Ų83139 Ų13950%0.50374%0.741SS.*  trans-67.583.4161-174.80000105.7E311 I315E311-V313 VanDerWaalsContact C-N 3.31Å; E311-V313 PolarHBondContact O-N 3.39Å; V313-I315 VanDerWaalsContact C-N 3.32Å; V313-I315 HydrophobicContact CG1-CG1 4.4Å; V313-I315 PolarHBondContact O-N 3.02Å
314V29Very low28.9Very low107 Ų107139.5 Ų139.565%0.64874%0.74SS**  trans-64.994.6176.4-175.50000107.8E312 S316E312-V314 HydrophobicContact CB-CG2 4Å; E312-V314 PolarHBondContact O-N 3.11Å; V314-S316 PolarHBondContact O-N 3.47Å
315I30Very low29.2Very low124 Ų124147 Ų14764%0.63676%0.758SS**  trans-77106.8162.8-60.6174.9000105.2V313 E317V313-I315 VanDerWaalsContact C-N 3.32Å; V313-I315 HydrophobicContact CG1-CG1 4.4Å; V313-I315 PolarHBondContact O-N 3.02Å; I315-E317 VanDerWaalsContact C-N 3.26Å; I315-E317 HydrophobicContact CG2-CG 4.49Å; I315-E317 PolarHBondContact O-N 3.41Å
316S26Very low29.3Very low98 Ų98144.7 Ų144.769%0.68576%0.761SS**  trans-6985.1171.349.60000109.8V314 T318V314-S316 PolarHBondContact O-N 3.47Å; S316-T318 PolarHBondContact O-N 2.67Å
317E27.9Very low29.4Very low168 Ų168142.4 Ų142.479%0.78576%0.764SS**  trans-62.2107.8166.9-80.7-165.6159.500109.4I315 S319I315-E317 VanDerWaalsContact C-N 3.26Å; I315-E317 HydrophobicContact CG2-CG 4.49Å; I315-E317 PolarHBondContact O-N 3.41Å; E317-S319 PolarHBondContact O-N 3.49Å
318T30Very low29.5Very low141 Ų141139.2 Ų139.287%0.86577%0.769SS**  trans-83.185.7168.5-46.50000108S316S316-T318 PolarHBondContact O-N 2.67Å
319S28.4Very low29.8Very low89 Ų89142 Ų14262%0.62278%0.779SS**  trans-136.3112.5160.369.10000110.8E317 I321E317-S319 PolarHBondContact O-N 3.49Å; S319-I321 PolarHBondContact O-N 3.48Å
320K31.4Very low30.1Very low204 Ų204138.1 Ų138.189%0.88778%0.782SS**  trans-71.6114.3174-74.1176176174.40109.1
321I30Very low30.2Very low161 Ų161133 Ų13383%0.82677%0.774SS**  trans-143.6127.5143.2-75.8110.1000108.3S319S319-I321 PolarHBondContact O-N 3.48Å
322S29.3Very low30.6Very low108 Ų108134 Ų13476%0.75578%0.781SS**  trans-77.8155.3179.827.80000113.1
323P34.1Very low31.2Very low124 Ų124135.4 Ų135.481%0.80579%0.785SS**  trans-94.1147.4-167.635.8-32.4000113.4
324K27.5Very low31.5Very low217 Ų217134.4 Ų134.494%0.94379%0.791SS**  trans-131132.5152.5-91.5-171177179.60110.2
325K31.7Very low32Very low210 Ų210137 Ų13791%0.91380%0.798SS**  trans-78.2138.1-179.5-72.1178.2172.7179.60112.7
326S27.1Very low32.4Very low122 Ų122136.6 Ų136.685%0.85380%0.797SS**  179.1119.6129.250.10000106.5
327G28.5Very low33Very low86 Ų86141.2 Ų141.289%0.88781%0.805SS**  100.411574.400000108.8
328G28.7Very low33.5Very low75 Ų75136.6 Ų136.677%0.77380%0.802SS**  trans144.899.2169.800000115.6G330G328-G330 PolarHBondContact O-N 2.8Å
329F36.4Very low34.1Very low229 Ų229136.2 Ų136.2100%1.00479%0.793SS**SBendtrans-51114.5163.2-133.3-107.8000109.7
330G32.3Very low34.8Very low77 Ų77138.8 Ų138.879%0.79481%0.805SS**  trans160.8-3.6-178.900000117.2G328G328-G330 PolarHBondContact O-N 2.8Å
331G33.3Very low35.3Very low61 Ų61131.8 Ų131.863%0.62979%0.791SS**  trans-92.40.9-173.100000117.6F333G331-F333 PolarHBondContact O-N 2.94Å
332M39Very low36.5Very low172 Ų172128.7 Ų128.785%0.84778%0.784SS**THydrogen-bonded Turntrans-79.3-5.9-169.9-81.1173.866.100115.9
333F43Very low38.2Very low188 Ų188129.4 Ų129.483%0.82577%0.773SS**THydrogen-bonded Turntrans-101.9-5.7174.6-91-88.8000114.2G331G331-F333 PolarHBondContact O-N 2.94Å
334G37.4Very low40.2Very low61 Ų61126.3 Ų126.363%0.62975%0.754SS**THydrogen-bonded Turntrans-86.7-21.1178.700000114.4
335M40Very low42.8Very low162 Ų162116.1 Ų116.180%0.79871%0.71SS**THydrogen-bonded Turntrans-88.6-8.1-176.1-146.5167.381.100113.7
336L39.5Very low45.4Very low115 Ų115107.7 Ų107.760%0.60268%0.678SS**THydrogen-bonded Turntrans-91.7-8.4174-70.2168.6000113
337K37.3Very low48.3Very low196 Ų196106.4 Ų106.485%0.85265%0.654SS**THydrogen-bonded Turntrans-87.3-3.9-179-143.8176.5-177.7-179.30113.8
338G38.5Very low51.1Low70 Ų70110.3 Ų110.372%0.72265%0.649SS**THydrogen-bonded Turntrans-99-5.1173.100000114.8
339L42.2Very low53.9Low133 Ų133109.1 Ų109.170%0.69663%0.625SS**SBendtrans-106.410.2-170.6-94164.3000114.9
340V42.7Very low56.5Low144 Ų14498.2 Ų98.287%0.87358%0.577SS**  trans-127.853.4171.2-166.90000108.9
341G42.5Very low59.3Low56 Ų5698.7 Ų98.758%0.57756%0.559SS**  trans-115.6115.4158.100000105.9K343G341-K343 PolarHBondContact O-N 3.11Å
342S55.9Low62.1Low97 Ų9799 Ų9968%0.67855%0.55SS*.  trans-57.671.8165.139.80000109.6S344 V386S342-S344 PolarHBondContact O-N 3.21Å; S342-S344 VanDerWaalsContact O-N 3.11Å; S342-V386 VanDerWaalsContact CB-CG1 3.44Å
343K65.6Low64.7Low123 Ų12392 Ų9254%0.53552%0.517SS..  trans-69.5110.5179.1-168.2-176.7174.9-158.50106.1G341 D349G341-K343 PolarHBondContact O-N 3.11Å; K343-D349 WeakPolarHBondContact CE-OD2 3.3Å; K343-D349 VanDerWaalsContact NZ-CG 3.28Å; K343-D349 IonicContact NZ-OD1 2.75Å; K343-D349 PolarHBondContact NZ-OD1 3.4Å; K343-D349 IonicContact NZ-OD2 2.64Å; K343-D349 PolarHBondContact NZ-OD2 3.39Å
344S75.8Confident67.1Low58 Ų5883.5 Ų83.541%0.40648%0.48SS..BIsolated β-bridgetrans-60.3134.4170.3520000108.9S342 S346S342-S344 PolarHBondContact O-N 3.21Å; S342-S344 VanDerWaalsContact O-N 3.11Å; S344-S346 PolarHBondContact O-N 3.05Å
345L81.9Confident69.8Low3 Ų385 Ų852%0.01647%0.47CS..PPolyproline II helixtrans-62.8117.4175.1-78.1164.4000110.2M350 L382 E383 G384 K385 M387 V393 T396L345-M350 HydrophobicContact CB-CE 4.37Å; L345-M350 HydrophobicContact CB-SD 4.29Å; L345-M350 HydrophobicContact CD2-CG 4.18Å; L345-M350 HydrophobicContact CD2-SD 4.47Å; L345-L382 WeakPolarHBondContact CB-O 3.27Å; L345-L382 HydrophobicContact CD1-CB 4.21Å; L345-E383 WeakPolarHBondContact O-CA 3.5Å; L345-G384 PolarHBondContact O-N 3.08Å; L345-K385 PolarHBondContact N-O 2.9Å; L345-M387 HydrophobicContact CD1-CG 3.74Å; L345-M387 HydrophobicContact CD1-SD 4.35Å; L345-M387 HydrophobicContact CD2-CE 4.04Å; L345-M387 HydrophobicContact CD2-CG 4.03Å; L345-M387 HydrophobicContact CD2-SD 3.6Å; L345-M387 HydrophobicContact CG-CE 4.43Å; L345-M387 HydrophobicContact CG-CG 3.77Å; L345-M387 HydrophobicContact CG-SD 4.04Å; L345-V393 HydrophobicContact CD2-CB 4.33Å; L345-V393 HydrophobicContact CD2-CG1 3.96Å; L345-V393 HydrophobicContact CD2-CG2 3.86Å; L345-T396 HydrophobicContact CD1-CG2 3.91Å
346S85.8Confident72.4Confident34 Ų3482.5 Ų82.524%0.23846%0.455CS..PPolyproline II helixtrans-92.2158.216976.50000110.3S344 E348 D349 M350S344-S346 PolarHBondContact O-N 3.05Å; S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact O-N 3.38Å; S346-D349 PolarHBondContact O-N 3.16Å; S346-D349 VanDerWaalsContact OG-CG 3.25Å; S346-D349 PolarHBondContact OG-N 3.07Å; S346-D349 PolarHBondContact OG-OD2 3.46Å; S346-M350 WeakPolarHBondContact O-CE 3.32Å; S346-M350 PolarHBondContact O-N 3.2Å
347R87.6Confident74.9Confident94 Ų9478.8 Ų78.836%0.35544%0.435SS..Hα-helixtrans-59.6-38.9174.7-174.3173.5178.9133.46.1112.5D349 M350 E351 E376R347-D349 VanDerWaalsContact C-N 3.31Å; R347-D349 PolarHBondContact O-N 2.92Å; R347-M350 PolarHBondContact O-N 3.21Å; R347-M350 VanDerWaalsContact O-N 3.11Å; R347-E351 PolarHBondContact O-N 3.09Å; R347-E376 IonicContact CZ-OE1 2.74Å; R347-E376 IonicContact CZ-OE2 3.05Å; R347-E376 IonicContact NH1-OE1 2.65Å; R347-E376 PolarHBondContact NH1-OE1 3.49Å; R347-E376 IonicContact NH1-OE2 2.85Å; R347-E376 PolarHBondContact NH1-OE2 3.33Å; R347-E376 IonicContact NH2-OE1 3.45Å; R347-E376 PolarHBondContact NH2-OE1 2.85Å; R347-E376 IonicContact NH2-OE2 3.47Å; R347-E376 PolarHBondContact NH2-OE2 3.24Å
348E88.4Confident77.6Confident169 Ų16972.8 Ų72.879%0.7941%0.407SS*.Hα-helixtrans-61.4-38.5179.3-65157.7-172.100112S346 M350S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact O-N 3.38Å; E348-M350 VanDerWaalsContact C-N 3.3Å; E348-M350 PolarHBondContact O-N 2.9Å
349D87.3Confident80.3Confident49 Ų4973.2 Ų73.226%0.26239%0.393SS..Hα-helixtrans-68.1-30.4176.9-68.5-29.4000111.8K343 S346 R347K343-D349 WeakPolarHBondContact CE-OD2 3.3Å; K343-D349 VanDerWaalsContact NZ-CG 3.28Å; K343-D349 IonicContact NZ-OD1 2.75Å; K343-D349 PolarHBondContact NZ-OD1 3.4Å; K343-D349 IonicContact NZ-OD2 2.64Å; K343-D349 PolarHBondContact NZ-OD2 3.39Å; S346-D349 PolarHBondContact O-N 3.16Å; S346-D349 VanDerWaalsContact OG-CG 3.25Å; S346-D349 PolarHBondContact OG-N 3.07Å; S346-D349 PolarHBondContact OG-OD2 3.46Å; R347-D349 VanDerWaalsContact C-N 3.31Å; R347-D349 PolarHBondContact O-N 2.92Å
350M90.3Very high82.8Confident0 Ų068.8 Ų68.80%037%0.369CS..Hα-helixtrans-90-27.3-174.6-66.8-175.4-75.100114.2L345 S346 R347 E348 P352 V353 L354 L382 E383 V393 V397L345-M350 HydrophobicContact CB-CE 4.37Å; L345-M350 HydrophobicContact CB-SD 4.29Å; L345-M350 HydrophobicContact CD2-CG 4.18Å; L345-M350 HydrophobicContact CD2-SD 4.47Å; S346-M350 WeakPolarHBondContact O-CE 3.32Å; S346-M350 PolarHBondContact O-N 3.2Å; R347-M350 PolarHBondContact O-N 3.21Å; R347-M350 VanDerWaalsContact O-N 3.11Å; E348-M350 VanDerWaalsContact C-N 3.3Å; E348-M350 PolarHBondContact O-N 2.9Å; M350-P352 VanDerWaalsContact C-CD 3.48Å; M350-V353 PolarHBondContact O-N 3.39Å; M350-L354 HydrophobicContact CB-CD1 3.75Å; M350-L354 HydrophobicContact CB-CG 4.24Å; M350-L354 WeakPolarHBondContact O-CG 3.43Å; M350-L354 PolarHBondContact O-N 3.1Å; M350-L382 HydrophobicContact CE-CB 4.19Å; M350-L382 HydrophobicContact SD-CB 3.53Å; M350-L382 VanDerWaalsContact SD-CB 3.53Å; M350-L382 HydrophobicContact SD-CD1 4.07Å; M350-L382 HydrophobicContact SD-CG 4.47Å; M350-E383 HydrophobicContact CE-CB 4.31Å; M350-V393 HydrophobicContact CG-CG1 3.94Å; M350-V397 HydrophobicContact CB-CG2 4.34Å; M350-V397 HydrophobicContact CG-CG2 4.03Å; M350-V397 HydrophobicContact SD-CG2 4.16Å
351E91.9Very high85.2Confident87 Ų8761.9 Ų61.941%0.40733%0.327SS..Hα-helixtrans-46.6-50.8-175-165.865.9-149.700114.7R347 V353 L354 E355R347-E351 PolarHBondContact O-N 3.09Å; E351-V353 VanDerWaalsContact C-N 3.26Å; E351-V353 PolarHBondContact O-N 2.97Å; E351-L354 PolarHBondContact O-N 3.42Å; E351-E355 PolarHBondContact O-N 3.38Å
352P92.4Very high87.7Confident67 Ų6762.4 Ų62.444%0.43532%0.316SS..Hα-helixtrans-66.3-28.7-177.626.4-35.4000113.2M350 K356M350-P352 VanDerWaalsContact C-CD 3.48Å; P352-K356 WeakPolarHBondContact O-CG 3.5Å; P352-K356 PolarHBondContact O-N 2.88Å
353V92.7Very high89.4Confident26 Ų2661 Ų6116%0.15831%0.31CS..Hα-helixtrans-77-44.4176.2-179.90000110M350 E351 E355 K356 M357 V393 A394 V397M350-V353 PolarHBondContact O-N 3.39Å; E351-V353 VanDerWaalsContact C-N 3.26Å; E351-V353 PolarHBondContact O-N 2.97Å; V353-E355 VanDerWaalsContact C-N 3.27Å; V353-E355 PolarHBondContact O-N 3.2Å; V353-K356 PolarHBondContact O-N 3.19Å; V353-M357 HydrophobicContact CG1-CG 4.3Å; V353-M357 VanDerWaalsContact O-CG 3.31Å; V353-M357 WeakPolarHBondContact O-CG 3.46Å; V353-M357 PolarHBondContact O-N 2.97Å; V353-V393 HydrophobicContact CG2-CG1 4.45Å; V353-A394 HydrophobicContact CG1-CB 4.3Å; V353-A394 HydrophobicContact CG2-CB 4.26Å; V353-V397 HydrophobicContact CG1-CB 3.92Å; V353-V397 HydrophobicContact CG1-CG1 3.88Å; V353-V397 HydrophobicContact CG1-CG2 4.38Å
354L93.1Very high90.7Very high10 Ų1055.8 Ų55.85%0.05229%0.287CS..Hα-helixtrans-60.6-39178.9-72.3167.4000111.6M350 E351 M357 R358 C375 V378 A379 V397M350-L354 HydrophobicContact CB-CD1 3.75Å; M350-L354 HydrophobicContact CB-CG 4.24Å; M350-L354 WeakPolarHBondContact O-CG 3.43Å; M350-L354 PolarHBondContact O-N 3.1Å; E351-L354 PolarHBondContact O-N 3.42Å; L354-M357 PolarHBondContact O-N 3.5Å; L354-R358 WeakPolarHBondContact O-CB 3.46Å; L354-R358 PolarHBondContact O-N 3.32Å; L354-C375 HydrophobicContact CD2-CB 4.12Å; L354-V378 HydrophobicContact CD2-CB 4.46Å; L354-V378 HydrophobicContact CD2-CG1 4.3Å; L354-A379 HydrophobicContact CD1-CB 3.52Å; L354-V397 HydrophobicContact CD2-CG1 3.65Å; L354-V397 HydrophobicContact CG-CG1 4.25Å
355E94.5Very high91.4Very high91 Ų9154.8 Ų54.843%0.42528%0.277SS..Hα-helixtrans-61.9-48.4175.1-180154.3-131.400111.9E351 V353 M357 R358 D359E351-E355 PolarHBondContact O-N 3.38Å; V353-E355 VanDerWaalsContact C-N 3.27Å; V353-E355 PolarHBondContact O-N 3.2Å; E355-M357 VanDerWaalsContact C-N 3.32Å; E355-M357 PolarHBondContact O-N 3.42Å; E355-R358 WeakPolarHBondContact O-CB 3.47Å; E355-R358 PolarHBondContact O-N 3.38Å; E355-R358 IonicContact OE1-CZ 3.49Å; E355-R358 IonicContact OE1-NH1 3.43Å; E355-R358 IonicContact OE1-NH2 3.48Å; E355-R358 PolarHBondContact OE1-NH2 2.96Å; E355-D359 VanDerWaalsContact O-CG 3.31Å; E355-D359 PolarHBondContact O-N 3.42Å
356K93.4Very high92Very high110 Ų11054.8 Ų54.848%0.47828%0.278SS..Hα-helixtrans-61-41175.9-71.3-178.8-179.8-173.20112.3P352 V353 D359 H360P352-K356 WeakPolarHBondContact O-CG 3.5Å; P352-K356 PolarHBondContact O-N 2.88Å; V353-K356 PolarHBondContact O-N 3.19Å; K356-D359 PolarHBondContact O-N 2.98Å; K356-H360 WeakPolarHBondContact O-CB 3.3Å; K356-H360 PolarHBondContact O-N 3.31Å
357M93.2Very high92.2Very high38 Ų3853.3 Ų53.319%0.18727%0.268CS..Hα-helixtrans-66-40.4177.3-69.9-66130.900111.8V353 L354 E355 H360 L361 V397 L401 M648V353-M357 HydrophobicContact CG1-CG 4.3Å; V353-M357 VanDerWaalsContact O-CG 3.31Å; V353-M357 WeakPolarHBondContact O-CG 3.46Å; V353-M357 PolarHBondContact O-N 2.97Å; L354-M357 PolarHBondContact O-N 3.5Å; E355-M357 VanDerWaalsContact C-N 3.32Å; E355-M357 PolarHBondContact O-N 3.42Å; M357-H360 PolarHBondContact O-N 3.41Å; M357-L361 VanDerWaalsContact O-CG 3.29Å; M357-L361 WeakPolarHBondContact O-CG 3.37Å; M357-L361 PolarHBondContact O-N 3.47Å; M357-V397 HydrophobicContact CG-CG1 4.47Å; M357-L401 HydrophobicContact CB-CD2 3.85Å; M357-L401 HydrophobicContact CG-CD2 4.2Å; M357-L401 HydrophobicContact SD-CD2 4.28Å; M357-M648 HydrophobicContact SD-CE 4.13Å
358R94.8Very high92.4Very high69 Ų6950.3 Ų50.326%0.2626%0.263SS..Hα-helixtrans-58.4-49.6174.5-180-165.367.5-157.7-2.1110.5L354 E355 H360 L361 I362L354-R358 WeakPolarHBondContact O-CB 3.46Å; L354-R358 PolarHBondContact O-N 3.32Å; E355-R358 WeakPolarHBondContact O-CB 3.47Å; E355-R358 PolarHBondContact O-N 3.38Å; E355-R358 IonicContact OE1-CZ 3.49Å; E355-R358 IonicContact OE1-NH1 3.43Å; E355-R358 IonicContact OE1-NH2 3.48Å; E355-R358 PolarHBondContact OE1-NH2 2.96Å; R358-H360 VanDerWaalsContact C-N 3.32Å; R358-H360 PolarHBondContact O-N 3.32Å; R358-L361 PolarHBondContact O-N 3.48Å; R358-I362 HydrophobicContact CG-CD1 4.02Å; R358-I362 VanDerWaalsContact O-CG1 3.3Å; R358-I362 WeakPolarHBondContact O-CG1 3.34Å; R358-I362 PolarHBondContact O-N 2.96Å
359D94.9Very high92.5Very high79 Ų7948.1 Ų48.142%0.42226%0.257SS..Hα-helixtrans-65.9-37.3-177.9-64.8-6.1000111.2E355 K356 I362 A363E355-D359 VanDerWaalsContact O-CG 3.31Å; E355-D359 PolarHBondContact O-N 3.42Å; K356-D359 PolarHBondContact O-N 2.98Å; D359-I362 PolarHBondContact O-N 3.27Å; D359-A363 WeakPolarHBondContact O-CB 3.35Å; D359-A363 PolarHBondContact O-N 3.3Å
360H94.3Very high92.7Very high40 Ų4046 Ų4619%0.18525%0.245CC..Hα-helixtrans-60.5-48.4172.4-17874.5000112.6K356 M357 R358 I362 A363 K364 L647 K649K356-H360 WeakPolarHBondContact O-CB 3.3Å; K356-H360 PolarHBondContact O-N 3.31Å; M357-H360 PolarHBondContact O-N 3.41Å; R358-H360 VanDerWaalsContact C-N 3.32Å; R358-H360 PolarHBondContact O-N 3.32Å; H360-I362 VanDerWaalsContact C-N 3.31Å; H360-I362 PolarHBondContact O-N 2.92Å; H360-A363 WeakPolarHBondContact O-CB 3.34Å; H360-A363 PolarHBondContact O-N 3.41Å; H360-K364 VanDerWaalsContact CE1-CE 3.42Å; H360-K364 WeakPolarHBondContact CE1-CE 3.45Å; H360-K364 WeakPolarHBondContact O-CG 3.4Å; H360-K364 PolarHBondContact O-N 3.25Å; H360-L647 PolarHBondContact CD2-O 3.32Å; H360-L647 PolarHBondContact NE2-O 3.48Å; H360-K649 PolarHBondContact CE1-O 3.22Å
361L93.8Very high92.8Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-60.3-42.2177-70176000111.5M357 R358 K364 N365 V366 S371 L374 L401 L405 L647M357-L361 VanDerWaalsContact O-CG 3.29Å; M357-L361 WeakPolarHBondContact O-CG 3.37Å; M357-L361 PolarHBondContact O-N 3.47Å; R358-L361 PolarHBondContact O-N 3.48Å; L361-K364 CarbonylContact O-C 3.57Å; L361-K364 PolarHBondContact O-N 2.88Å; L361-N365 PolarHBondContact O-N 2.89Å; L361-V366 HydrophobicContact CB-CB 4.05Å; L361-V366 HydrophobicContact CB-CG2 4.05Å; L361-V366 HydrophobicContact CD2-CG2 4.17Å; L361-V366 VanDerWaalsContact O-CB 3.25Å; L361-V366 WeakPolarHBondContact O-CB 3.48Å; L361-V366 WeakPolarHBondContact O-CG2 3.45Å; L361-V366 PolarHBondContact O-N 2.84Å; L361-S371 WeakPolarHBondContact CB-OG 3.11Å; L361-L374 HydrophobicContact CD1-CD1 4.25Å; L361-L401 HydrophobicContact CD1-CD1 4.27Å; L361-L401 HydrophobicContact CD1-CD2 4.11Å; L361-L405 HydrophobicContact CD2-CD1 4.2Å; L361-L647 HydrophobicContact CD2-CD1 4.21Å; L361-L647 HydrophobicContact CD2-CD2 3.91Å; L361-L647 HydrophobicContact CD2-CG 3.97Å
362I93.4Very high92.8Very high66 Ų6644.3 Ų44.334%0.33824%0.243SC..Hα-helixtrans-62.3-44.6176.1-68168.8000110.6R358 D359 H360 K364 N365 A368R358-I362 HydrophobicContact CG-CD1 4.02Å; R358-I362 VanDerWaalsContact O-CG1 3.3Å; R358-I362 WeakPolarHBondContact O-CG1 3.34Å; R358-I362 PolarHBondContact O-N 2.96Å; D359-I362 PolarHBondContact O-N 3.27Å; H360-I362 VanDerWaalsContact C-N 3.31Å; H360-I362 PolarHBondContact O-N 2.92Å; I362-K364 PolarHBondContact O-N 3.26Å; I362-N365 PolarHBondContact O-N 2.72Å; I362-A368 HydrophobicContact CD1-CB 4.02Å; I362-A368 HydrophobicContact CG1-CB 4.26Å
363A92.3Very high92.8Very high68 Ų6845.2 Ų45.256%0.56224%0.242SC*.Hα-helixtrans-61.3-33.917800000112.6D359 H360 N365D359-A363 WeakPolarHBondContact O-CB 3.35Å; D359-A363 PolarHBondContact O-N 3.3Å; H360-A363 WeakPolarHBondContact O-CB 3.34Å; H360-A363 PolarHBondContact O-N 3.41Å; A363-N365 PolarHBondContact O-N 3.08Å
364K92.4Very high92.7Very high13 Ų1344.1 Ų44.16%0.05724%0.235CC..THydrogen-bonded Turntrans-86.121.5174.4-59.5-84177.81710113.3H360 L361 I362 D607 K608 G610 L647 K649 A650H360-K364 VanDerWaalsContact CE1-CE 3.42Å; H360-K364 WeakPolarHBondContact CE1-CE 3.45Å; H360-K364 WeakPolarHBondContact O-CG 3.4Å; H360-K364 PolarHBondContact O-N 3.25Å; L361-K364 CarbonylContact O-C 3.57Å; L361-K364 PolarHBondContact O-N 2.88Å; I362-K364 PolarHBondContact O-N 3.26Å; K364-D607 HydrophobicContact CD-CB 4.46Å; K364-D607 IonicContact NZ-OD2 2.91Å; K364-D607 PolarHBondContact NZ-OD2 3.11Å; K364-K608 CarbonylContact O-C 3.32Å; K364-K608 VanDerWaalsContact O-C 3.26Å; K364-K608 WeakPolarHBondContact O-CA 3.39Å; K364-G610 VanDerWaalsContact O-CA 3.31Å; K364-G610 WeakPolarHBondContact O-CA 3.33Å; K364-G610 PolarHBondContact O-N 3.4Å; K364-L647 HydrophobicContact CB-CD1 3.34Å; K364-L647 HydrophobicContact CG-CD1 4.02Å; K364-K649 WeakPolarHBondContact CE-O 3.23Å; K364-K649 PolarHBondContact NZ-O 3.4Å; K364-A650 PolarHBondContact NZ-OXT 3.04Å
365N91.7Very high92.7Very high37 Ų3744.1 Ų44.120%0.19824%0.236CC..THydrogen-bonded Turntrans69.227.1172.9-162.242000115.4L361 I362 A363 A565 V567 G568 K608 G610 A611L361-N365 PolarHBondContact O-N 2.89Å; I362-N365 PolarHBondContact O-N 2.72Å; A363-N365 PolarHBondContact O-N 3.08Å; N365-A565 PolarHBondContact ND2-O 3.11Å; N365-V567 PolarHBondContact ND2-O 3.32Å; N365-G568 WeakPolarHBondContact OD1-CA 3.35Å; N365-K608 HydrophobicContact CB-CB 4.03Å; N365-G610 CarbonylContact O-C 3.35Å; N365-G610 WeakPolarHBondContact O-CA 3.47Å; N365-A611 PolarHBondContact O-N 3.22Å
366V92.9Very high92.6Very high4 Ų442.4 Ų42.42%0.02423%0.228CC..  trans-80.7137.7165.1-175.70000108.8L361 A368 I370 S371 G610 I613 L647L361-V366 HydrophobicContact CB-CB 4.05Å; L361-V366 HydrophobicContact CB-CG2 4.05Å; L361-V366 HydrophobicContact CD2-CG2 4.17Å; L361-V366 VanDerWaalsContact O-CB 3.25Å; L361-V366 WeakPolarHBondContact O-CB 3.48Å; L361-V366 WeakPolarHBondContact O-CG2 3.45Å; L361-V366 PolarHBondContact O-N 2.84Å; V366-A368 PolarHBondContact O-N 2.82Å; V366-I370 HydrophobicContact CG1-CB 4.26Å; V366-I370 HydrophobicContact CG1-CG2 4.24Å; V366-S371 WeakPolarHBondContact CB-OG 3.43Å; V366-S371 WeakPolarHBondContact CG1-OG 3.45Å; V366-G610 VanDerWaalsContact CG2-CA 3.4Å; V366-I613 HydrophobicContact CG1-CG2 4.32Å; V366-I613 HydrophobicContact CG2-CB 4.45Å; V366-I613 HydrophobicContact CG2-CG1 4.48Å; V366-L647 HydrophobicContact CG2-CD1 4.04Å; V366-L647 HydrophobicContact CG2-CD2 4.2Å
367A91.5Very high92.3Very high3 Ų338.4 Ų38.43%0.02521%0.213CC..  trans-59.8135.8179.500000111.7D369 I370 S371 N569 V572 S614A367-D369 VanDerWaalsContact C-N 3.34Å; A367-D369 PolarHBondContact O-N 2.82Å; A367-I370 HydrophobicContact CB-CB 4.29Å; A367-I370 HydrophobicContact CB-CG1 3.82Å; A367-I370 WeakPolarHBondContact O-CA 3.39Å; A367-I370 WeakPolarHBondContact O-CB 3.5Å; A367-I370 PolarHBondContact O-N 2.95Å; A367-S371 PolarHBondContact O-N 2.88Å; A367-S371 PolarHBondContact O-OG 2.87Å; A367-N569 WeakPolarHBondContact CA-OD1 3.19Å; A367-N569 WeakPolarHBondContact CB-OD1 3.42Å; A367-V572 HydrophobicContact CB-CG2 3.85Å; A367-S614 PolarHBondContact N-OG 3.18Å
368A91.7Very high92.2Very high31 Ų3136.6 Ų36.626%0.25621%0.205SC..Hα-helixtrans-60-40.6-168.200000113.7I362 V366 I370 S371 S372 N569I362-A368 HydrophobicContact CD1-CB 4.02Å; I362-A368 HydrophobicContact CG1-CB 4.26Å; V366-A368 PolarHBondContact O-N 2.82Å; A368-I370 VanDerWaalsContact C-N 3.28Å; A368-I370 PolarHBondContact O-N 2.8Å; A368-S371 PolarHBondContact O-N 2.91Å; A368-S372 PolarHBondContact O-N 3.11Å; A368-S372 PolarHBondContact O-OG 3.29Å; A368-N569 PolarHBondContact N-OD1 3.21Å; A368-N569 VanDerWaalsContact N-OD1 3.08Å
369D90.7Very high91.9Very high123 Ų12333.4 Ų33.466%0.65819%0.193SC*.Hα-helixtrans-65.6-34.9176-67.7-17.6000111.5A367 Q373A367-D369 VanDerWaalsContact C-N 3.34Å; A367-D369 PolarHBondContact O-N 2.82Å; D369-Q373 WeakPolarHBondContact O-CB 3.41Å; D369-Q373 VanDerWaalsContact O-CG 3.23Å; D369-Q373 WeakPolarHBondContact O-CG 3.39Å; D369-Q373 PolarHBondContact O-N 2.81Å; D369-Q373 PolarHBondContact O-NE2 2.76Å
370I90.7Very high91.6Very high3 Ų333.5 Ų33.52%0.01519%0.189CC..Hα-helixtrans-72-44.6178.5-54.1-48.4000110.2V366 A367 A368 S372 Q373 L374 V572 Y617 I618V366-I370 HydrophobicContact CG1-CB 4.26Å; V366-I370 HydrophobicContact CG1-CG2 4.24Å; A367-I370 HydrophobicContact CB-CB 4.29Å; A367-I370 HydrophobicContact CB-CG1 3.82Å; A367-I370 WeakPolarHBondContact O-CA 3.39Å; A367-I370 WeakPolarHBondContact O-CB 3.5Å; A367-I370 PolarHBondContact O-N 2.95Å; A368-I370 VanDerWaalsContact C-N 3.28Å; A368-I370 PolarHBondContact O-N 2.8Å; I370-S372 VanDerWaalsContact C-N 3.27Å; I370-S372 PolarHBondContact O-N 3.16Å; I370-Q373 PolarHBondContact O-N 3.37Å; I370-L374 HydrophobicContact CG2-CD1 4Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CB 3.37Å; I370-L374 VanDerWaalsContact O-CG 3.27Å; I370-L374 WeakPolarHBondContact O-CG 3.38Å; I370-L374 PolarHBondContact O-N 2.73Å; I370-V572 HydrophobicContact CG1-CG2 4.26Å; I370-Y617 HydrophobicContact CD1-CD1 3.47Å; I370-Y617 VanDerWaalsContact CD1-CD1 3.47Å; I370-Y617 HydrophobicContact CD1-CE1 3.72Å; I370-Y617 HydrophobicContact CD1-CG 4.37Å; I370-Y617 HydrophobicContact CG1-CD1 4.3Å; I370-Y617 HydrophobicContact CG2-CD1 3.88Å; I370-Y617 HydrophobicContact CG2-CD2 4.11Å; I370-Y617 HydrophobicContact CG2-CE1 4.36Å; I370-Y617 HydrophobicContact CG2-CG 3.72Å; I370-I618 HydrophobicContact CD1-CD1 3.79Å; I370-I618 HydrophobicContact CD1-CG1 4.16Å
371S92.8Very high91.1Very high0 Ų033.7 Ų33.70%019%0.19CC..Hα-helixtrans-56.2-43.6173.8-57.40000111.4L361 V366 A367 A368 L374 C375L361-S371 WeakPolarHBondContact CB-OG 3.11Å; V366-S371 WeakPolarHBondContact CB-OG 3.43Å; V366-S371 WeakPolarHBondContact CG1-OG 3.45Å; A367-S371 PolarHBondContact O-N 2.88Å; A367-S371 PolarHBondContact O-OG 2.87Å; A368-S371 PolarHBondContact O-N 2.91Å; S371-L374 PolarHBondContact O-N 3.46Å; S371-C375 WeakPolarHBondContact O-CB 3.43Å; S371-C375 PolarHBondContact O-N 3.42Å; S371-C375 PolarHBondContact O-SG 3.44Å; S371-C375 VanDerWaalsContact O-SG 3.33Å
372S92.8Very high90.7Very high53 Ų5334.2 Ų34.237%0.37119%0.192SC..Hα-helixtrans-65.5-44.7178.2-57.60000112.2A368 I370 L374 C375 E376A368-S372 PolarHBondContact O-N 3.11Å; A368-S372 PolarHBondContact O-OG 3.29Å; I370-S372 VanDerWaalsContact C-N 3.27Å; I370-S372 PolarHBondContact O-N 3.16Å; S372-L374 VanDerWaalsContact C-N 3.35Å; S372-L374 PolarHBondContact O-N 2.89Å; S372-C375 PolarHBondContact O-N 2.99Å; S372-E376 WeakPolarHBondContact O-CB 3.26Å; S372-E376 PolarHBondContact O-N 3.01Å
373Q91Very high90.4Very high86 Ų8635.4 Ų35.440%0.40220%0.197SC..Hα-helixtrans-65.1-37.1176.8-73.1173.553.600112.8D369 I370 S377 Y617D369-Q373 WeakPolarHBondContact O-CB 3.41Å; D369-Q373 VanDerWaalsContact O-CG 3.23Å; D369-Q373 WeakPolarHBondContact O-CG 3.39Å; D369-Q373 PolarHBondContact O-N 2.81Å; D369-Q373 PolarHBondContact O-NE2 2.76Å; I370-Q373 PolarHBondContact O-N 3.37Å; Q373-S377 WeakPolarHBondContact O-CB 3.26Å; Q373-S377 PolarHBondContact O-N 2.93Å; Q373-S377 PolarHBondContact O-OG 3.38Å; Q373-Y617 WeakPolarHBondContact CB-OH 3.34Å; Q373-Y617 PolarHBondContact OE1-OH 3.04Å
374L91.2Very high89.8Confident3 Ų332.9 Ų32.92%0.01618%0.178CC..Hα-helixtrans-62.6-52.1175.2-80.5171.1000111.2L361 I370 S371 S372 E376 S377 V378 L401 L405 I408 I613 Y617L361-L374 HydrophobicContact CD1-CD1 4.25Å; I370-L374 HydrophobicContact CG2-CD1 4Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CB 3.37Å; I370-L374 VanDerWaalsContact O-CG 3.27Å; I370-L374 WeakPolarHBondContact O-CG 3.38Å; I370-L374 PolarHBondContact O-N 2.73Å; S371-L374 PolarHBondContact O-N 3.46Å; S372-L374 VanDerWaalsContact C-N 3.35Å; S372-L374 PolarHBondContact O-N 2.89Å; L374-E376 VanDerWaalsContact C-N 3.33Å; L374-E376 PolarHBondContact O-N 3.46Å; L374-S377 PolarHBondContact O-N 2.95Å; L374-S377 VanDerWaalsContact O-N 3.14Å; L374-V378 WeakPolarHBondContact O-CG2 3.46Å; L374-V378 PolarHBondContact O-N 2.87Å; L374-L401 HydrophobicContact CB-CD1 4.17Å; L374-L405 HydrophobicContact CD1-CD2 3.76Å; L374-I408 HydrophobicContact CD2-CD1 3.3Å; L374-I613 HydrophobicContact CD1-CG2 4.16Å; L374-Y617 HydrophobicContact CD2-CE2 4.31Å
375C92.9Very high89.2Confident10 Ų1035 Ų357%0.06819%0.187CC..Hα-helixtrans-59.6-42.8177.9-71.10000111.7L354 S371 S372 S377 V378 A379L354-C375 HydrophobicContact CD2-CB 4.12Å; S371-C375 WeakPolarHBondContact O-CB 3.43Å; S371-C375 PolarHBondContact O-N 3.42Å; S371-C375 PolarHBondContact O-SG 3.44Å; S371-C375 VanDerWaalsContact O-SG 3.33Å; S372-C375 PolarHBondContact O-N 2.99Å; C375-S377 VanDerWaalsContact C-N 3.33Å; C375-S377 PolarHBondContact O-N 3.17Å; C375-V378 PolarHBondContact O-N 3.36Å; C375-A379 WeakPolarHBondContact O-CB 3.29Å; C375-A379 PolarHBondContact O-N 3.25Å
376E91.6Very high88.5Confident55 Ų5537 Ų3726%0.25720%0.2SC..Hα-helixtrans-62.2-40.5175.4-17762.4-156.200112.1R347 S372 L374 A379 K380R347-E376 IonicContact CZ-OE1 2.74Å; R347-E376 IonicContact CZ-OE2 3.05Å; R347-E376 IonicContact NH1-OE1 2.65Å; R347-E376 PolarHBondContact NH1-OE1 3.49Å; R347-E376 IonicContact NH1-OE2 2.85Å; R347-E376 PolarHBondContact NH1-OE2 3.33Å; R347-E376 IonicContact NH2-OE1 3.45Å; R347-E376 PolarHBondContact NH2-OE1 2.85Å; R347-E376 IonicContact NH2-OE2 3.47Å; R347-E376 PolarHBondContact NH2-OE2 3.24Å; S372-E376 WeakPolarHBondContact O-CB 3.26Å; S372-E376 PolarHBondContact O-N 3.01Å; L374-E376 VanDerWaalsContact C-N 3.33Å; L374-E376 PolarHBondContact O-N 3.46Å; E376-A379 PolarHBondContact O-N 3.42Å; E376-K380 HydrophobicContact CG-CD 4.47Å; E376-K380 WeakPolarHBondContact O-CG 3.47Å; E376-K380 PolarHBondContact O-N 3.01Å; E376-K380 WeakPolarHBondContact OE1-CE 3.38Å; E376-K380 IonicContact OE1-NZ 3.81Å
377S88.3Confident87.8Confident25 Ų2539.3 Ų39.318%0.17521%0.212CC..Hα-helixtrans-66.3-39.9178.6-59.60000111.4Q373 L374 C375 K381Q373-S377 WeakPolarHBondContact O-CB 3.26Å; Q373-S377 PolarHBondContact O-N 2.93Å; Q373-S377 PolarHBondContact O-OG 3.38Å; L374-S377 PolarHBondContact O-N 2.95Å; L374-S377 VanDerWaalsContact O-N 3.14Å; C375-S377 VanDerWaalsContact C-N 3.33Å; C375-S377 PolarHBondContact O-N 3.17Å; S377-K381 VanDerWaalsContact O-CB 3.3Å; S377-K381 WeakPolarHBondContact O-CB 3.23Å; S377-K381 PolarHBondContact O-N 3.14Å
378V90.7Very high86.9Confident1 Ų141.3 Ų41.31%0.00623%0.232CC..Hα-helixtrans-65.9-43.9174.3172.50000111.3L354 L374 C375 K380 K381 L382 V397 A400 L401L354-V378 HydrophobicContact CD2-CB 4.46Å; L354-V378 HydrophobicContact CD2-CG1 4.3Å; L374-V378 WeakPolarHBondContact O-CG2 3.46Å; L374-V378 PolarHBondContact O-N 2.87Å; C375-V378 PolarHBondContact O-N 3.36Å; V378-K380 PolarHBondContact O-N 3.32Å; V378-K381 PolarHBondContact O-N 3.49Å; V378-K381 VanDerWaalsContact O-N 3.16Å; V378-L382 HydrophobicContact CG1-CD1 3.83Å; V378-L382 HydrophobicContact CG1-CG 4.35Å; V378-L382 WeakPolarHBondContact O-CB 3.16Å; V378-L382 WeakPolarHBondContact O-CG 3.34Å; V378-L382 PolarHBondContact O-N 3.24Å; V378-V397 HydrophobicContact CG1-CG1 4.23Å; V378-A400 HydrophobicContact CG1-CB 3.9Å; V378-L401 HydrophobicContact CG2-CB 4.03Å; V378-L401 HydrophobicContact CG2-CD1 3.86Å
379A89.4Confident85.9Confident2 Ų245.9 Ų45.92%0.01726%0.257CS..Hα-helixtrans-56.4-52.2176.800000110.9L354 C375 E376 K381 L382 E383L354-A379 HydrophobicContact CD1-CB 3.52Å; C375-A379 WeakPolarHBondContact O-CB 3.29Å; C375-A379 PolarHBondContact O-N 3.25Å; E376-A379 PolarHBondContact O-N 3.42Å; A379-K381 VanDerWaalsContact C-N 3.31Å; A379-K381 PolarHBondContact O-N 2.8Å; A379-L382 PolarHBondContact O-N 2.89Å; A379-E383 WeakPolarHBondContact O-CB 3.41Å; A379-E383 PolarHBondContact O-N 3.11Å
380K87.4Confident85.2Confident80 Ų8049.5 Ų49.535%0.34827%0.267SS..Hα-helixtrans-57.2-44.5176.2-73.2175-177.6171.80111.4G44 N62 E376 V378 L382G44-K380 PolarHBondContact O-NZ 2.96Å; N62-K380 PolarHBondContact ND2-O 2.95Å; E376-K380 HydrophobicContact CG-CD 4.47Å; E376-K380 WeakPolarHBondContact O-CG 3.47Å; E376-K380 PolarHBondContact O-N 3.01Å; E376-K380 WeakPolarHBondContact OE1-CE 3.38Å; E376-K380 IonicContact OE1-NZ 3.81Å; V378-K380 PolarHBondContact O-N 3.32Å; K380-L382 VanDerWaalsContact C-N 3.3Å; K380-L382 PolarHBondContact O-N 3.24Å
381K84Confident84.7Confident44 Ų4452.3 Ų52.319%0.19128%0.284CS..Hα-helixtrans-64.1-32.3-177.9-178.2171.3-179.4164.50113.3E42 S377 V378 A379 K385E42-K381 IonicContact OE1-NZ 2.78Å; E42-K381 PolarHBondContact OE1-NZ 3.3Å; E42-K381 IonicContact OE2-NZ 2.64Å; E42-K381 PolarHBondContact OE2-NZ 3.08Å; S377-K381 VanDerWaalsContact O-CB 3.3Å; S377-K381 WeakPolarHBondContact O-CB 3.23Å; S377-K381 PolarHBondContact O-N 3.14Å; V378-K381 PolarHBondContact O-N 3.49Å; V378-K381 VanDerWaalsContact O-N 3.16Å; A379-K381 VanDerWaalsContact C-N 3.31Å; A379-K381 PolarHBondContact O-N 2.8Å; K381-K385 WeakPolarHBondContact O-CE 3.23Å
382L85.8Confident84.3Confident11 Ų1156.3 Ų56.36%0.05831%0.309CS..Hα-helixtrans-94.6-21.9-177.4-69.6-178.1000113.8L345 M350 V378 A379 K380 G384 K385 T396 V397 A400L345-L382 WeakPolarHBondContact CB-O 3.27Å; L345-L382 HydrophobicContact CD1-CB 4.21Å; M350-L382 HydrophobicContact CE-CB 4.19Å; M350-L382 HydrophobicContact SD-CB 3.53Å; M350-L382 VanDerWaalsContact SD-CB 3.53Å; M350-L382 HydrophobicContact SD-CD1 4.07Å; M350-L382 HydrophobicContact SD-CG 4.47Å; V378-L382 HydrophobicContact CG1-CD1 3.83Å; V378-L382 HydrophobicContact CG1-CG 4.35Å; V378-L382 WeakPolarHBondContact O-CB 3.16Å; V378-L382 WeakPolarHBondContact O-CG 3.34Å; V378-L382 PolarHBondContact O-N 3.24Å; A379-L382 PolarHBondContact O-N 2.89Å; K380-L382 VanDerWaalsContact C-N 3.3Å; K380-L382 PolarHBondContact O-N 3.24Å; L382-G384 PolarHBondContact O-N 3.45Å; L382-K385 HydrophobicContact CD2-CD 4.45Å; L382-K385 WeakPolarHBondContact O-CB 3.46Å; L382-K385 PolarHBondContact O-N 2.9Å; L382-T396 HydrophobicContact CD1-CG2 4.15Å; L382-T396 HydrophobicContact CD2-CG2 3.85Å; L382-V397 HydrophobicContact CD1-CB 4.29Å; L382-V397 HydrophobicContact CD1-CG2 3.78Å; L382-A400 HydrophobicContact CD1-CB 3.79Å; L382-A400 HydrophobicContact CD2-CB 3.91Å; L382-A400 HydrophobicContact CG-CB 3.99Å
383E86.1Confident84Confident91 Ų9155.4 Ų55.443%0.42530%0.301SS..THydrogen-bonded Turntrans-56.1126.1178.6-171.1172.2-158.400111.4L345 M350 A379 K385L345-E383 WeakPolarHBondContact O-CA 3.5Å; M350-E383 HydrophobicContact CE-CB 4.31Å; A379-E383 WeakPolarHBondContact O-CB 3.41Å; A379-E383 PolarHBondContact O-N 3.11Å; E383-K385 VanDerWaalsContact C-N 3.28Å; E383-K385 PolarHBondContact O-N 2.77Å
384G80.1Confident83.8Confident16 Ų1653 Ų5317%0.16530%0.296CS..THydrogen-bonded Turntrans82.5-10.5-17700000115.1E63 L345 L382E63-G384 WeakPolarHBondContact CG-O 2.78Å; L345-G384 PolarHBondContact O-N 3.08Å; L382-G384 PolarHBondContact O-N 3.45Å
385K80.3Confident83.6Confident56 Ų5655.2 Ų55.224%0.24331%0.312CS..PPolyproline II helixtrans-71.9140.4176.7-69.4-160.1174.6-1600111.6N62 E65 L345 K381 L382 E383N62-K385 HydrophobicContact CB-CG 4.44Å; N62-K385 WeakPolarHBondContact O-CE 3.47Å; E65-K385 IonicContact OE1-NZ 3.05Å; L345-K385 PolarHBondContact N-O 2.9Å; K381-K385 WeakPolarHBondContact O-CE 3.23Å; L382-K385 HydrophobicContact CD2-CD 4.45Å; L382-K385 WeakPolarHBondContact O-CB 3.46Å; L382-K385 PolarHBondContact O-N 2.9Å; E383-K385 VanDerWaalsContact C-N 3.28Å; E383-K385 PolarHBondContact O-N 2.77Å
386V77.1Confident83.4Confident81 Ų8156 Ų5649%0.49132%0.317SS..BIsolated β-bridgetrans-83.6125.7172.9-176.20000109.2S342S342-V386 VanDerWaalsContact CB-CG1 3.44Å
387M77.7Confident83.4Confident52 Ų5253.4 Ų53.426%0.25631%0.305SS..PPolyproline II helixtrans-67.6153.3176.5-71.7-177.2-69.700112.1L345 V393L345-M387 HydrophobicContact CD1-CG 3.74Å; L345-M387 HydrophobicContact CD1-SD 4.35Å; L345-M387 HydrophobicContact CD2-CE 4.04Å; L345-M387 HydrophobicContact CD2-CG 4.03Å; L345-M387 HydrophobicContact CD2-SD 3.6Å; L345-M387 HydrophobicContact CG-CE 4.43Å; L345-M387 HydrophobicContact CG-CG 3.77Å; L345-M387 HydrophobicContact CG-SD 4.04Å; M387-V393 HydrophobicContact CE-CG2 4.12Å; M387-V393 HydrophobicContact SD-CG2 3.86Å
388G71.9Confident83.5Confident44 Ų4456.4 Ų56.445%0.45431%0.314SS..PPolyproline II helixtrans-68.8159170.600000111.7F390 T391G388-F390 PolarHBondContact O-N 3.4Å; G388-T391 WeakPolarHBondContact CA-OG1 3.48Å; G388-T391 PolarHBondContact N-OG1 3.05Å; G388-T391 PolarHBondContact O-N 2.95Å; G388-T391 PolarHBondContact O-OG1 3.23Å
389T72.5Confident83.5Confident128 Ų12861 Ų6179%0.78534%0.335SS*.THydrogen-bonded Turntrans-56.9-25.6-174.5-46.70000114.1
390F75.8Confident83.5Confident199 Ų19961.3 Ų61.387%0.87334%0.338SS*.THydrogen-bonded Turntrans-123.621.4-177.5-59.3-76000113.4G388G388-F390 PolarHBondContact O-N 3.4Å
391T78.6Confident83.8Confident61 Ų6157.6 Ų57.637%0.37432%0.322SS..  trans-107.7133.6-178.955.90000111.7G388G388-T391 WeakPolarHBondContact CA-OG1 3.48Å; G388-T391 PolarHBondContact N-OG1 3.05Å; G388-T391 PolarHBondContact O-N 2.95Å; G388-T391 PolarHBondContact O-OG1 3.23Å
392T85.9Confident84.2Confident85 Ų8558.2 Ų58.252%0.52133%0.326SS..  trans-83.7161.3170.862.70000111.4A394 S395 T396T392-A394 PolarHBondContact O-N 3.18Å; T392-S395 PolarHBondContact N-OG 3.15Å; T392-S395 PolarHBondContact O-N 3.27Å; T392-S395 PolarHBondContact O-OG 3.39Å; T392-S395 WeakPolarHBondContact OG1-CB 3.48Å; T392-S395 PolarHBondContact OG1-N 2.86Å; T392-S395 PolarHBondContact OG1-OG 2.77Å; T392-T396 WeakPolarHBondContact O-CB 3.38Å; T392-T396 PolarHBondContact O-N 2.85Å; T392-T396 PolarHBondContact O-OG1 2.68Å
393V85.8Confident84.4Confident33 Ų3361.3 Ų61.320%0.234%0.343CS..Hα-helixtrans-56.5-43.8171.4-178.90000110.3L345 M350 V353 M387 T396 V397L345-V393 HydrophobicContact CD2-CB 4.33Å; L345-V393 HydrophobicContact CD2-CG1 3.96Å; L345-V393 HydrophobicContact CD2-CG2 3.86Å; M350-V393 HydrophobicContact CG-CG1 3.94Å; V353-V393 HydrophobicContact CG2-CG1 4.45Å; M387-V393 HydrophobicContact CE-CG2 4.12Å; M387-V393 HydrophobicContact SD-CG2 3.86Å; V393-T396 PolarHBondContact O-N 2.69Å; V393-V397 HydrophobicContact CG1-CG2 4.27Å; V393-V397 WeakPolarHBondContact O-CB 3.5Å; V393-V397 VanDerWaalsContact O-CG2 3.3Å; V393-V397 WeakPolarHBondContact O-CG2 3.49Å; V393-V397 PolarHBondContact O-N 3.49Å
394A86.8Confident84.6Confident36 Ų3657.2 Ų57.230%0.29832%0.324SS..Hα-helixtrans-60.7-49.9179.900000113V353 T392 T396 V397 K398V353-A394 HydrophobicContact CG1-CB 4.3Å; V353-A394 HydrophobicContact CG2-CB 4.26Å; T392-A394 PolarHBondContact O-N 3.18Å; A394-T396 VanDerWaalsContact C-N 3.33Å; A394-T396 PolarHBondContact O-N 2.81Å; A394-V397 PolarHBondContact O-N 3.04Å; A394-K398 VanDerWaalsContact O-CB 3.26Å; A394-K398 WeakPolarHBondContact O-CB 3.37Å; A394-K398 PolarHBondContact O-N 3.25Å
395S88.1Confident85.1Confident50 Ų5056.5 Ų56.535%0.3532%0.316SS..Hα-helixtrans-63.5-38.3177.357.80000112.3T392 K398 Q399T392-S395 PolarHBondContact N-OG 3.15Å; T392-S395 PolarHBondContact O-N 3.27Å; T392-S395 PolarHBondContact O-OG 3.39Å; T392-S395 WeakPolarHBondContact OG1-CB 3.48Å; T392-S395 PolarHBondContact OG1-N 2.86Å; T392-S395 PolarHBondContact OG1-OG 2.77Å; S395-K398 PolarHBondContact O-N 2.93Å; S395-Q399 VanDerWaalsContact O-CB 3.3Å; S395-Q399 WeakPolarHBondContact O-CB 3.5Å; S395-Q399 PolarHBondContact O-N 3.46Å
396T88.3Confident85.7Confident27 Ų2754.3 Ų54.317%0.16631%0.308CS..Hα-helixtrans-66-45.7178.5-53.20000111.7L345 L382 T392 V393 A394 A400L345-T396 HydrophobicContact CD1-CG2 3.91Å; L382-T396 HydrophobicContact CD1-CG2 4.15Å; L382-T396 HydrophobicContact CD2-CG2 3.85Å; T392-T396 WeakPolarHBondContact O-CB 3.38Å; T392-T396 PolarHBondContact O-N 2.85Å; T392-T396 PolarHBondContact O-OG1 2.68Å; V393-T396 PolarHBondContact O-N 2.69Å; A394-T396 VanDerWaalsContact C-N 3.33Å; A394-T396 PolarHBondContact O-N 2.81Å; T396-A400 WeakPolarHBondContact O-CB 3.49Å; T396-A400 PolarHBondContact O-N 2.86Å
397V90.4Very high86.2Confident0 Ų054 Ų540%030%0.301CS..Hα-helixtrans-64.3-45.5175.7172.40000110.8M350 V353 L354 M357 V378 L382 V393 A394 Q399 A400 L401M350-V397 HydrophobicContact CB-CG2 4.34Å; M350-V397 HydrophobicContact CG-CG2 4.03Å; M350-V397 HydrophobicContact SD-CG2 4.16Å; V353-V397 HydrophobicContact CG1-CB 3.92Å; V353-V397 HydrophobicContact CG1-CG1 3.88Å; V353-V397 HydrophobicContact CG1-CG2 4.38Å; L354-V397 HydrophobicContact CD2-CG1 3.65Å; L354-V397 HydrophobicContact CG-CG1 4.25Å; M357-V397 HydrophobicContact CG-CG1 4.47Å; V378-V397 HydrophobicContact CG1-CG1 4.23Å; L382-V397 HydrophobicContact CD1-CB 4.29Å; L382-V397 HydrophobicContact CD1-CG2 3.78Å; V393-V397 HydrophobicContact CG1-CG2 4.27Å; V393-V397 WeakPolarHBondContact O-CB 3.5Å; V393-V397 VanDerWaalsContact O-CG2 3.3Å; V393-V397 WeakPolarHBondContact O-CG2 3.49Å; V393-V397 PolarHBondContact O-N 3.49Å; A394-V397 PolarHBondContact O-N 3.04Å; V397-Q399 PolarHBondContact O-N 2.94Å; V397-A400 PolarHBondContact O-N 2.83Å; V397-L401 VanDerWaalsContact O-CB 3.29Å; V397-L401 WeakPolarHBondContact O-CB 3.47Å; V397-L401 PolarHBondContact O-N 3.38Å
398K90.8Very high86.6Confident88 Ų8853.5 Ų53.538%0.38330%0.299SS..Hα-helixtrans-59.2-47.6178.5-172178.5-177.9174.50111.4A394 S395 L401 Q402 M648A394-K398 VanDerWaalsContact O-CB 3.26Å; A394-K398 WeakPolarHBondContact O-CB 3.37Å; A394-K398 PolarHBondContact O-N 3.25Å; S395-K398 PolarHBondContact O-N 2.93Å; K398-L401 PolarHBondContact O-N 2.9Å; K398-Q402 WeakPolarHBondContact O-CB 3.43Å; K398-Q402 PolarHBondContact O-N 2.79Å; K398-M648 HydrophobicContact CG-CE 3.57Å
399Q90.9Very high87.3Confident96 Ų9651.6 Ų51.645%0.44928%0.278SS..Hα-helixtrans-63.8-46.7178.7-175.361.846.400111.7S395 V397 L401 Q402 D403S395-Q399 VanDerWaalsContact O-CB 3.3Å; S395-Q399 WeakPolarHBondContact O-CB 3.5Å; S395-Q399 PolarHBondContact O-N 3.46Å; V397-Q399 PolarHBondContact O-N 2.94Å; Q399-L401 VanDerWaalsContact C-N 3.3Å; Q399-L401 PolarHBondContact O-N 3.4Å; Q399-Q402 WeakPolarHBondContact O-CB 3.3Å; Q399-Q402 PolarHBondContact O-N 2.79Å; Q399-D403 PolarHBondContact NE2-OD1 2.84Å; Q399-D403 VanDerWaalsContact O-CG 3.27Å; Q399-D403 PolarHBondContact O-N 3.23Å
400A90.1Very high87.7Confident9 Ų950.2 Ų50.27%0.07426%0.263CS..Hα-helixtrans-62.9-38.3179.100000112.2V378 L382 T396 V397 D403 S404V378-A400 HydrophobicContact CG1-CB 3.9Å; L382-A400 HydrophobicContact CD1-CB 3.79Å; L382-A400 HydrophobicContact CD2-CB 3.91Å; L382-A400 HydrophobicContact CG-CB 3.99Å; T396-A400 WeakPolarHBondContact O-CB 3.49Å; T396-A400 PolarHBondContact O-N 2.86Å; V397-A400 PolarHBondContact O-N 2.83Å; A400-D403 PolarHBondContact O-N 3.17Å; A400-S404 PolarHBondContact O-N 3.37Å; A400-S404 PolarHBondContact O-OG 3.38Å
401L92.4Very high87.3Confident2 Ų243.6 Ų43.61%0.0124%0.24CC..Hα-helixtrans-65.6-44.8174.6-17960.2000111.5M357 L361 L374 V378 V397 K398 Q399 D403 S404 L405 M648M357-L401 HydrophobicContact CB-CD2 3.85Å; M357-L401 HydrophobicContact CG-CD2 4.2Å; M357-L401 HydrophobicContact SD-CD2 4.28Å; L361-L401 HydrophobicContact CD1-CD1 4.27Å; L361-L401 HydrophobicContact CD1-CD2 4.11Å; L374-L401 HydrophobicContact CB-CD1 4.17Å; V378-L401 HydrophobicContact CG2-CB 4.03Å; V378-L401 HydrophobicContact CG2-CD1 3.86Å; V397-L401 VanDerWaalsContact O-CB 3.29Å; V397-L401 WeakPolarHBondContact O-CB 3.47Å; V397-L401 PolarHBondContact O-N 3.38Å; K398-L401 PolarHBondContact O-N 2.9Å; Q399-L401 VanDerWaalsContact C-N 3.3Å; Q399-L401 PolarHBondContact O-N 3.4Å; L401-D403 VanDerWaalsContact C-N 3.34Å; L401-D403 PolarHBondContact O-N 3.45Å; L401-S404 PolarHBondContact O-N 2.95Å; L401-L405 HydrophobicContact CD1-CD1 4.36Å; L401-L405 HydrophobicContact CD1-CG 4.36Å; L401-L405 HydrophobicContact CG-CD1 4.04Å; L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 VanDerWaalsContact O-CG 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.38Å; L401-L405 PolarHBondContact O-N 2.92Å; L401-M648 HydrophobicContact CD2-CE 4.11Å; L401-M648 HydrophobicContact CD2-SD 4.39Å; L401-M648 HydrophobicContact CG-CE 4.44Å
402Q92.3Very high86.7Confident58 Ų5847 Ų4727%0.27125%0.249SC..Hα-helixtrans-58.4-44.9175171.3164.8-5.500111.9K398 Q399 L405 V406 V644 M648K398-Q402 WeakPolarHBondContact O-CB 3.43Å; K398-Q402 PolarHBondContact O-N 2.79Å; Q399-Q402 WeakPolarHBondContact O-CB 3.3Å; Q399-Q402 PolarHBondContact O-N 2.79Å; Q402-L405 PolarHBondContact O-N 2.82Å; Q402-V406 WeakPolarHBondContact O-CG2 3.38Å; Q402-V406 PolarHBondContact O-N 2.93Å; Q402-V644 HydrophobicContact CB-CG1 4.26Å; Q402-V644 HydrophobicContact CG-CG1 3.75Å; Q402-M648 HydrophobicContact CB-CG 4.38Å
403D90.2Very high85.7Confident76 Ų7650.6 Ų50.641%0.40625%0.253SS..Hα-helixtrans-62.7-44.5177.9-67.4-20.5000111.6Q399 A400 L401 V406 Q407Q399-D403 PolarHBondContact NE2-OD1 2.84Å; Q399-D403 VanDerWaalsContact O-CG 3.27Å; Q399-D403 PolarHBondContact O-N 3.23Å; A400-D403 PolarHBondContact O-N 3.17Å; L401-D403 VanDerWaalsContact C-N 3.34Å; L401-D403 PolarHBondContact O-N 3.45Å; D403-V406 PolarHBondContact O-N 3.25Å; D403-Q407 WeakPolarHBondContact O-CB 3.47Å; D403-Q407 PolarHBondContact O-N 3.36Å
404S90.3Very high85.1Confident5 Ų560 Ų604%0.03529%0.285CS..Hα-helixtrans-64.7-39176.5-74.40000112.3E42 A400 L401 Q407 I408E42-S404 PolarHBondContact OE2-OG 3.49Å; A400-S404 PolarHBondContact O-N 3.37Å; A400-S404 PolarHBondContact O-OG 3.38Å; L401-S404 PolarHBondContact O-N 2.95Å; S404-Q407 PolarHBondContact O-N 2.87Å; S404-I408 WeakPolarHBondContact O-CD1 3.37Å; S404-I408 WeakPolarHBondContact O-CG1 3.3Å; S404-I408 PolarHBondContact O-N 3.39Å
405L91.8Very high84.9Confident0 Ų060 Ų600%028%0.281CS..Hα-helixtrans-63.6-43.2175.1-73.4166.1000112.1L361 L374 L401 Q402 Q407 I408 L409 I613 V644 L647 M648L361-L405 HydrophobicContact CD2-CD1 4.2Å; L374-L405 HydrophobicContact CD1-CD2 3.76Å; L401-L405 HydrophobicContact CD1-CD1 4.36Å; L401-L405 HydrophobicContact CD1-CG 4.36Å; L401-L405 HydrophobicContact CG-CD1 4.04Å; L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 VanDerWaalsContact O-CG 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.38Å; L401-L405 PolarHBondContact O-N 2.92Å; Q402-L405 PolarHBondContact O-N 2.82Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 3.17Å; L405-I408 PolarHBondContact O-N 3.38Å; L405-L409 PolarHBondContact O-N 3.09Å; L405-L409 VanDerWaalsContact O-N 3.08Å; L405-I613 HydrophobicContact CD2-CD1 3.89Å; L405-I613 HydrophobicContact CD2-CG1 4.06Å; L405-I613 HydrophobicContact CD2-CG2 3.75Å; L405-V644 HydrophobicContact CB-CG1 3.86Å; L405-V644 HydrophobicContact CB-CG2 3.74Å; L405-V644 HydrophobicContact CD1-CG1 4.12Å; L405-L647 HydrophobicContact CD1-CD2 4.01Å; L405-L647 HydrophobicContact CD2-CD2 4.17Å; L405-M648 HydrophobicContact CD1-CG 4.36Å; L405-M648 HydrophobicContact CD1-SD 3.7Å
406V91.1Very high84.9Confident11 Ų1161.4 Ų61.47%0.06729%0.285CS..Hα-helixtrans-62.2-43.1175.91710000110.3Q402 D403 I408 L409 Q410 V644Q402-V406 WeakPolarHBondContact O-CG2 3.38Å; Q402-V406 PolarHBondContact O-N 2.93Å; D403-V406 PolarHBondContact O-N 3.25Å; V406-I408 VanDerWaalsContact C-N 3.28Å; V406-I408 PolarHBondContact O-N 3.41Å; V406-L409 PolarHBondContact O-N 3.25Å; V406-Q410 HydrophobicContact CG1-CG 4.28Å; V406-Q410 WeakPolarHBondContact O-CB 3.35Å; V406-Q410 VanDerWaalsContact O-CG 3.28Å; V406-Q410 WeakPolarHBondContact O-CG 3.45Å; V406-Q410 PolarHBondContact O-N 3.39Å; V406-V644 HydrophobicContact CG2-CB 3.92Å; V406-V644 HydrophobicContact CG2-CG1 4.1Å; V406-V644 HydrophobicContact CG2-CG2 3.78Å
407Q87.6Confident85.1Confident75 Ų7560.3 Ų60.335%0.3528%0.278SS..Hα-helixtrans-61.6-35.5177.5-177.7176.9-16.200112.6E42 D403 S404 L405E42-Q407 PolarHBondContact OE2-OE1 3.02Å; D403-Q407 WeakPolarHBondContact O-CB 3.47Å; D403-Q407 PolarHBondContact O-N 3.36Å; S404-Q407 PolarHBondContact O-N 2.87Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 3.17Å
408I87.3Confident85.3Confident40 Ų4061.7 Ų61.721%0.20529%0.285CS..Hα-helixtrans-71.9-38.6177.9-73.9156.9000112.4L374 S404 L405 V406 Q410 T616 Y617L374-I408 HydrophobicContact CD2-CD1 3.3Å; S404-I408 WeakPolarHBondContact O-CD1 3.37Å; S404-I408 WeakPolarHBondContact O-CG1 3.3Å; S404-I408 PolarHBondContact O-N 3.39Å; L405-I408 PolarHBondContact O-N 3.38Å; V406-I408 VanDerWaalsContact C-N 3.28Å; V406-I408 PolarHBondContact O-N 3.41Å; I408-Q410 VanDerWaalsContact C-N 3.32Å; I408-T616 WeakPolarHBondContact CG2-OG1 3.45Å; I408-Y617 HydrophobicContact CD1-CD2 3.64Å; I408-Y617 HydrophobicContact CD1-CE2 4.07Å; I408-Y617 HydrophobicContact CG1-CD2 4.12Å; I408-Y617 HydrophobicContact CG2-CD2 4.27Å
409L86.6Confident85.4Confident4 Ų465.3 Ų65.32%0.02130%0.296CS..Hα-helixtrans-75.8-22.5176.5-76.6-178.7000113L405 V406 P411 A612 I613 T616 I623 L638 A640 V643 V644L405-L409 PolarHBondContact O-N 3.09Å; L405-L409 VanDerWaalsContact O-N 3.08Å; V406-L409 PolarHBondContact O-N 3.25Å; L409-P411 WeakPolarHBondContact O-CD 3.34Å; L409-A612 HydrophobicContact CD2-CB 4.27Å; L409-I613 HydrophobicContact CD1-CD1 3.57Å; L409-I613 HydrophobicContact CD2-CD1 3.8Å; L409-I613 HydrophobicContact CG-CD1 3.49Å; L409-I613 VanDerWaalsContact CG-CD1 3.49Å; L409-T616 HydrophobicContact CD2-CG2 3.95Å; L409-I623 HydrophobicContact CD2-CD1 4.38Å; L409-L638 HydrophobicContact CB-CD2 4.5Å; L409-L638 HydrophobicContact CD2-CD2 4.09Å; L409-A640 HydrophobicContact CB-CB 3.67Å; L409-A640 HydrophobicContact CD1-CB 4.27Å; L409-V643 HydrophobicContact CD1-CB 4.02Å; L409-V643 HydrophobicContact CD1-CG1 3.74Å; L409-V644 HydrophobicContact CD1-CG2 3.81Å
410Q81.4Confident85.5Confident100 Ų10062.7 Ų62.747%0.46729%0.286SS..SBendtrans-74.9118.7176-79.3179.21.400110.3V406 I408 A640V406-Q410 HydrophobicContact CG1-CG 4.28Å; V406-Q410 WeakPolarHBondContact O-CB 3.35Å; V406-Q410 VanDerWaalsContact O-CG 3.28Å; V406-Q410 WeakPolarHBondContact O-CG 3.45Å; V406-Q410 PolarHBondContact O-N 3.39Å; I408-Q410 VanDerWaalsContact C-N 3.32Å; Q410-A640 HydrophobicContact CG-CB 4.43Å
411P67Low85.8Confident60 Ų6062.3 Ų62.339%0.3928%0.282SS..  trans-74.6140-175.131.2-35.6000111.8L409 R413 P622L409-P411 WeakPolarHBondContact O-CD 3.34Å; P411-R413 WeakPolarHBondContact CB-O 3.45Å; P411-R413 PolarHBondContact O-N 3.15Å; P411-P622 HydrophobicContact CB-CB 3.49Å; P411-P622 VanDerWaalsContact CB-CB 3.49Å; P411-P622 HydrophobicContact CB-CG 4.05Å; P411-P622 HydrophobicContact CG-CB 4.03Å
412K66Low85.8Confident131 Ų13167.8 Ų67.857%0.5731%0.309SS*.SBendtrans-65.7-28.5173.1-66.6177.4-178.7168.10112.3
413R64.6Low85.9Confident161 Ų16169.9 Ų69.961%0.60832%0.319SS*.SBendtrans-118.3122.4178-178.4175.8177.2160.8-1108.8P411 V415P411-R413 WeakPolarHBondContact CB-O 3.45Å; P411-R413 PolarHBondContact O-N 3.15Å; R413-V415 PolarHBondContact O-N 3.03Å
414R72.8Confident86.1Confident231 Ų23166.2 Ų66.287%0.87230%0.3SS*.  trans-70.6127.7166.9-64.9-169.8-179-144.91.1108.1
415V82.4Confident86.1Confident35 Ų3569.4 Ų69.421%0.21231%0.314CS..  trans-102.6108.6172.5173.30000106R413 I417 L558 P622 V624R413-V415 PolarHBondContact O-N 3.03Å; V415-I417 HydrophobicContact CG1-CD1 4.45Å; V415-I417 HydrophobicContact CG1-CG1 3.9Å; V415-L558 HydrophobicContact CG1-CD1 4.18Å; V415-L558 HydrophobicContact CG1-CD2 4.29Å; V415-P622 HydrophobicContact CB-CG 4.5Å; V415-P622 HydrophobicContact CG2-CG 3.62Å; V415-V624 HydrophobicContact CB-CG2 4.33Å; V415-V624 HydrophobicContact CG1-CG1 4.16Å; V415-V624 HydrophobicContact CG1-CG2 4.17Å; V415-V624 HydrophobicContact CG2-CG2 4.5Å
416D88.6Confident86.2Confident80 Ų8073.8 Ų73.843%0.42835%0.345SS..  trans-114.789.3177.6-176.7-16.8000107.9L418 R419 D420D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 3.42Å; D416-L418 PolarHBondContact OD1-N 3.39Å; D416-R419 HydrophobicContact CB-CB 4.06Å; D416-R419 PolarHBondContact O-N 2.87Å; D416-R419 WeakPolarHBondContact OD1-CB 3.42Å; D416-R419 PolarHBondContact OD1-N 3.4Å; D416-R419 WeakPolarHBondContact OD2-CB 3.41Å; D416-D420 WeakPolarHBondContact O-CB 3.43Å; D416-D420 PolarHBondContact O-N 2.91Å
417I93.3Very high86.3Confident5 Ų578 Ų783%0.02636%0.364CS..Hα-helixtrans-63.4-39.2-173.9-66.4170.4000110.7V415 R419 D420 V421 F431 I433 W453 L454 L558 V624 F625V415-I417 HydrophobicContact CG1-CD1 4.45Å; V415-I417 HydrophobicContact CG1-CG1 3.9Å; I417-R419 PolarHBondContact O-N 3.17Å; I417-D420 PolarHBondContact O-N 2.89Å; I417-V421 HydrophobicContact CG2-CG2 4.04Å; I417-V421 WeakPolarHBondContact O-CB 3.44Å; I417-V421 WeakPolarHBondContact O-CG2 3.45Å; I417-V421 PolarHBondContact O-N 2.85Å; I417-F431 HydrophobicContact CG2-CE1 4.15Å; I417-I433 HydrophobicContact CG2-CD1 4.11Å; I417-W453 HydrophobicContact CB-CH2 4.06Å; I417-W453 HydrophobicContact CB-CZ3 4.21Å; I417-W453 HydrophobicContact CG2-CH2 4.33Å; I417-W453 HydrophobicContact CG2-CZ3 4.06Å; I417-L454 HydrophobicContact CG2-CD2 4.28Å; I417-L558 HydrophobicContact CD1-CD2 3.8Å; I417-L558 HydrophobicContact CG1-CD2 3.9Å; I417-V624 HydrophobicContact CD1-CG1 3.81Å; I417-F625 HydrophobicContact CD1-CE2 3.54Å; I417-F625 HydrophobicContact CD1-CZ 3.67Å
418L93.4Very high86.5Confident28 Ų2884.8 Ų84.815%0.14739%0.386CS..Hα-helixtrans-64.7-45.4-177.4-57.5178.6000110.5D416 V421 M422 W453 L454 N457 F459D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 3.42Å; D416-L418 PolarHBondContact OD1-N 3.39Å; L418-V421 PolarHBondContact O-N 3.43Å; L418-M422 WeakPolarHBondContact O-CG 3.31Å; L418-M422 PolarHBondContact O-N 3.42Å; L418-M422 VanDerWaalsContact O-N 3.1Å; L418-W453 HydrophobicContact CD1-CH2 4.37Å; L418-W453 HydrophobicContact CD1-CZ2 3.82Å; L418-W453 HydrophobicContact CD2-CH2 3.47Å; L418-W453 VanDerWaalsContact CD2-CH2 3.47Å; L418-W453 HydrophobicContact CD2-CZ2 3.57Å; L418-W453 HydrophobicContact CD2-CZ3 4.05Å; L418-W453 HydrophobicContact CG-CH2 3.65Å; L418-W453 HydrophobicContact CG-CZ2 3.62Å; L418-L454 HydrophobicContact CD2-CD2 4.27Å; L418-N457 HydrophobicContact CD2-CB 3.88Å; L418-F459 HydrophobicContact CB-CE2 4.38Å; L418-F459 HydrophobicContact CD2-CD2 4.15Å; L418-F459 HydrophobicContact CD2-CE2 3.68Å
419R92.6Very high86.9Confident164 Ų16486.8 Ų86.862%0.61939%0.391SS*.Hα-helixtrans-61.5-45.7174.4179.6-176.3168.3-178.8-2.5112D416 I417 V421 M422 E423D416-R419 HydrophobicContact CB-CB 4.06Å; D416-R419 PolarHBondContact O-N 2.87Å; D416-R419 WeakPolarHBondContact OD1-CB 3.42Å; D416-R419 PolarHBondContact OD1-N 3.4Å; D416-R419 WeakPolarHBondContact OD2-CB 3.41Å; I417-R419 PolarHBondContact O-N 3.17Å; R419-V421 VanDerWaalsContact C-N 3.29Å; R419-V421 PolarHBondContact O-N 3.12Å; R419-M422 WeakPolarHBondContact O-CB 3.29Å; R419-M422 PolarHBondContact O-N 3.44Å; R419-E423 PolarHBondContact O-N 3.03Å
420D94.1Very high87.5Confident42 Ų4286.9 Ų86.923%0.22539%0.392CS..Hα-helixtrans-65.7-34-177.7-68.8-12.8000111.5D416 I417 E423 A424 F431D416-D420 WeakPolarHBondContact O-CB 3.43Å; D416-D420 PolarHBondContact O-N 2.91Å; I417-D420 PolarHBondContact O-N 2.89Å; D420-E423 PolarHBondContact O-N 3.47Å; D420-A424 PolarHBondContact O-N 3.27Å; D420-F431 HydrophobicContact CB-CD2 4.31Å; D420-F431 HydrophobicContact CB-CE2 3.53Å; D420-F431 HydrophobicContact CB-CZ 3.82Å
421V95.4Very high88.3Confident0 Ų082.4 Ų82.40%037%0.371CS..Hα-helixtrans-64.4-45.5172173.50000110.9I417 L418 R419 E423 A424 Q425 F431 F459 D527 V528I417-V421 HydrophobicContact CG2-CG2 4.04Å; I417-V421 WeakPolarHBondContact O-CB 3.44Å; I417-V421 WeakPolarHBondContact O-CG2 3.45Å; I417-V421 PolarHBondContact O-N 2.85Å; L418-V421 PolarHBondContact O-N 3.43Å; R419-V421 VanDerWaalsContact C-N 3.29Å; R419-V421 PolarHBondContact O-N 3.12Å; V421-E423 VanDerWaalsContact C-N 3.28Å; V421-E423 PolarHBondContact O-N 3.25Å; V421-A424 PolarHBondContact O-N 3.24Å; V421-Q425 WeakPolarHBondContact O-CG 3.45Å; V421-Q425 PolarHBondContact O-N 3.23Å; V421-F431 HydrophobicContact CB-CB 4.31Å; V421-F431 HydrophobicContact CB-CG 4.46Å; V421-F431 HydrophobicContact CG1-CB 4.47Å; V421-F431 HydrophobicContact CG2-CB 3.76Å; V421-F431 HydrophobicContact CG2-CD1 3.55Å; V421-F431 HydrophobicContact CG2-CD2 4.44Å; V421-F431 HydrophobicContact CG2-CE1 4.24Å; V421-F431 HydrophobicContact CG2-CG 3.67Å; V421-F459 HydrophobicContact CB-CE1 4.27Å; V421-F459 HydrophobicContact CB-CZ 4.23Å; V421-F459 HydrophobicContact CG1-CD1 3.53Å; V421-F459 HydrophobicContact CG1-CD2 4.41Å; V421-F459 HydrophobicContact CG1-CE1 3.47Å; V421-F459 VanDerWaalsContact CG1-CE1 3.47Å; V421-F459 HydrophobicContact CG1-CE2 4.35Å; V421-F459 HydrophobicContact CG1-CG 4.02Å; V421-F459 HydrophobicContact CG1-CZ 3.9Å; V421-D527 HydrophobicContact CG1-CB 4.4Å; V421-V528 HydrophobicContact CB-CG2 4.48Å; V421-V528 HydrophobicContact CG1-CG2 3.73Å; V421-V528 HydrophobicContact CG2-CG2 3.79Å
422M93Very high89.8Confident118 Ų11879.9 Ų79.958%0.58135%0.354SS*.Hα-helixtrans-61.1-37.9176.3-67.1174.770.300112L418 R419 Q425 S426 F459L418-M422 WeakPolarHBondContact O-CG 3.31Å; L418-M422 PolarHBondContact O-N 3.42Å; L418-M422 VanDerWaalsContact O-N 3.1Å; R419-M422 WeakPolarHBondContact O-CB 3.29Å; R419-M422 PolarHBondContact O-N 3.44Å; M422-Q425 PolarHBondContact O-N 2.86Å; M422-S426 PolarHBondContact O-N 3.02Å; M422-S426 VanDerWaalsContact O-N 3.09Å; M422-F459 HydrophobicContact CG-CE1 4.29Å; M422-F459 HydrophobicContact CG-CZ 3.95Å
423E93.9Very high91.3Very high101 Ų10173.7 Ų73.747%0.47233%0.327SS..Hα-helixtrans-65.3-44.1174.9-172.2174.1163.200111.5R419 D420 V421 Q425 S426 Q427R419-E423 PolarHBondContact O-N 3.03Å; D420-E423 PolarHBondContact O-N 3.47Å; V421-E423 VanDerWaalsContact C-N 3.28Å; V421-E423 PolarHBondContact O-N 3.25Å; E423-Q425 PolarHBondContact O-N 3.1Å; E423-S426 WeakPolarHBondContact O-CB 3.36Å; E423-S426 PolarHBondContact O-N 3.27Å; E423-S426 PolarHBondContact O-OG 3.01Å; E423-Q427 PolarHBondContact O-N 3.02Å
424A94.8Very high92.9Very high0 Ų066 Ų660%030%0.298CS..Hα-helixtrans-62.2-40.6175.300000112.5D420 V421 S426 Q427 R428 R429 F431D420-A424 PolarHBondContact O-N 3.27Å; V421-A424 PolarHBondContact O-N 3.24Å; A424-S426 VanDerWaalsContact C-N 3.3Å; A424-S426 PolarHBondContact O-N 2.91Å; A424-Q427 CarbonylContact O-C 3.57Å; A424-Q427 WeakPolarHBondContact O-CA 3.5Å; A424-Q427 WeakPolarHBondContact O-CB 3.41Å; A424-Q427 PolarHBondContact O-N 2.93Å; A424-R428 PolarHBondContact O-N 2.9Å; A424-R429 CarbonylContact C-O 3.46Å; A424-R429 VanDerWaalsContact C-O 3.32Å; A424-R429 HydrophobicContact CB-CG 4.22Å; A424-R429 WeakPolarHBondContact O-CG 3.33Å; A424-R429 PolarHBondContact O-N 3.26Å; A424-R429 VanDerWaalsContact O-O 3.04Å; A424-F431 HydrophobicContact CB-CB 3.97Å; A424-F431 HydrophobicContact CB-CD2 4.05Å
425Q91.4Very high94.2Very high72 Ų7255 Ų5534%0.33626%0.257SS..Hα-helixtrans-58.2-41.9173.4-76.1-179.9-43.500111.8V421 M422 E423 Q427 R428 D527V421-Q425 WeakPolarHBondContact O-CG 3.45Å; V421-Q425 PolarHBondContact O-N 3.23Å; M422-Q425 PolarHBondContact O-N 2.86Å; E423-Q425 PolarHBondContact O-N 3.1Å; Q425-Q427 PolarHBondContact O-N 3.01Å; Q425-R428 WeakPolarHBondContact O-CA 3.35Å; Q425-R428 PolarHBondContact O-N 3.46Å; Q425-D527 HydrophobicContact CG-CB 4.4Å; Q425-D527 PolarHBondContact NE2-OD1 3.36Å
426S92.3Very high94.9Very high92 Ų9253.3 Ų53.364%0.64325%0.247SC*.Hα-helixtrans-60.6-28.6176.882.30000112.7M422 E423 A424 R428M422-S426 PolarHBondContact O-N 3.02Å; M422-S426 VanDerWaalsContact O-N 3.09Å; E423-S426 WeakPolarHBondContact O-CB 3.36Å; E423-S426 PolarHBondContact O-N 3.27Å; E423-S426 PolarHBondContact O-OG 3.01Å; A424-S426 VanDerWaalsContact C-N 3.3Å; A424-S426 PolarHBondContact O-N 2.91Å; S426-R428 VanDerWaalsContact C-N 3.31Å
427Q94.3Very high95.2Very high100 Ų10049.5 Ų49.547%0.46723%0.226SC..THydrogen-bonded Turntrans-87.75176.1-61.6173.211.800113E423 A424 Q425 R429E423-Q427 PolarHBondContact O-N 3.02Å; A424-Q427 CarbonylContact O-C 3.57Å; A424-Q427 WeakPolarHBondContact O-CA 3.5Å; A424-Q427 WeakPolarHBondContact O-CB 3.41Å; A424-Q427 PolarHBondContact O-N 2.93Å; Q425-Q427 PolarHBondContact O-N 3.01Å; Q427-R429 VanDerWaalsContact C-N 3.28Å; Q427-R429 HydrophobicContact CB-CG 4.11Å; Q427-R429 PolarHBondContact O-N 3.45Å
428R92.1Very high95.3Very high217 Ų21749.7 Ų49.782%0.81923%0.227SC*.THydrogen-bonded Turntrans53.841.9-177.9-57-176.8179.9-177.1-0.2113.2A424 Q425 S426A424-R428 PolarHBondContact O-N 2.9Å; Q425-R428 WeakPolarHBondContact O-CA 3.35Å; Q425-R428 PolarHBondContact O-N 3.46Å; S426-R428 VanDerWaalsContact C-N 3.31Å
429R95.8Very high95.3Very high81 Ų8152.5 Ų52.531%0.30624%0.243SC..SBendtrans-133.6150.3174.566.9-179.7-171.683.5-8.5109.8A424 Q427 D557A424-R429 CarbonylContact C-O 3.46Å; A424-R429 VanDerWaalsContact C-O 3.32Å; A424-R429 HydrophobicContact CB-CG 4.22Å; A424-R429 WeakPolarHBondContact O-CG 3.33Å; A424-R429 PolarHBondContact O-N 3.26Å; A424-R429 VanDerWaalsContact O-O 3.04Å; Q427-R429 VanDerWaalsContact C-N 3.28Å; Q427-R429 HydrophobicContact CB-CG 4.11Å; Q427-R429 PolarHBondContact O-N 3.45Å; R429-D557 IonicContact CZ-OD1 2.83Å; R429-D557 IonicContact CZ-OD2 3.2Å; R429-D557 IonicContact NH1-OD1 4Å; R429-D557 PolarHBondContact NH1-OD1 2.92Å; R429-D557 IonicContact NH1-OD2 2.98Å; R429-D557 PolarHBondContact NH1-OD2 3.02Å; R429-D557 IonicContact NH2-OD1 2.81Å; R429-D557 PolarHBondContact NH2-OD1 3.44Å
430P97.6Very high95.3Very high6 Ų647.6 Ų47.64%0.03924%0.243CC..  trans-67.7151.7170.429.3-34.4000110.7I518 A521 D527 V529P430-I518 HydrophobicContact CG-CG2 4.27Å; P430-A521 HydrophobicContact CB-CB 4.12Å; P430-A521 HydrophobicContact CG-CB 4.09Å; P430-D527 CarbonylContact C-O 3.44Å; P430-D527 WeakPolarHBondContact CA-O 3.36Å; P430-V529 HydrophobicContact CB-CG2 3.88Å; P430-V529 HydrophobicContact CG-CG2 4.24Å
431F98.4Very high95.4Very high7 Ų745.6 Ų45.63%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-85.4123167-170.8-101.9000109.8I417 D420 V421 A424 I433 D527 V528 V529 D557 L558I417-F431 HydrophobicContact CG2-CE1 4.15Å; D420-F431 HydrophobicContact CB-CD2 4.31Å; D420-F431 HydrophobicContact CB-CE2 3.53Å; D420-F431 HydrophobicContact CB-CZ 3.82Å; V421-F431 HydrophobicContact CB-CB 4.31Å; V421-F431 HydrophobicContact CB-CG 4.46Å; V421-F431 HydrophobicContact CG1-CB 4.47Å; V421-F431 HydrophobicContact CG2-CB 3.76Å; V421-F431 HydrophobicContact CG2-CD1 3.55Å; V421-F431 HydrophobicContact CG2-CD2 4.44Å; V421-F431 HydrophobicContact CG2-CE1 4.24Å; V421-F431 HydrophobicContact CG2-CG 3.67Å; A424-F431 HydrophobicContact CB-CB 3.97Å; A424-F431 HydrophobicContact CB-CD2 4.05Å; F431-I433 HydrophobicContact CD1-CD1 3.95Å; F431-I433 HydrophobicContact CD1-CG1 3.67Å; F431-I433 HydrophobicContact CE1-CD1 3.74Å; F431-I433 HydrophobicContact CE1-CG1 3.54Å; F431-D527 PolarHBondContact N-O 2.94Å; F431-V528 CarbonylContact O-C 3.46Å; F431-V528 WeakPolarHBondContact O-CA 3.38Å; F431-V528 WeakPolarHBondContact O-CG1 3.47Å; F431-V529 PolarHBondContact O-N 3.35Å; F431-D557 WeakPolarHBondContact CA-OD2 3.28Å; F431-D557 HydrophobicContact CD2-CB 3.63Å; F431-D557 HydrophobicContact CE1-CB 4.34Å; F431-D557 HydrophobicContact CE2-CB 3.29Å; F431-D557 HydrophobicContact CG-CB 4.27Å; F431-D557 HydrophobicContact CZ-CB 3.71Å; F431-L558 HydrophobicContact CE1-CB 4.3Å; F431-L558 HydrophobicContact CZ-CB 4.19Å
432V98.5Very high95.4Very high7 Ų746.6 Ų46.64%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-107.9119-171.3-174.10000111I518 V529 V531 P556 D557 L558V432-I518 HydrophobicContact CG1-CD1 3.87Å; V432-I518 HydrophobicContact CG1-CG1 4.11Å; V432-I518 HydrophobicContact CG2-CD1 4.1Å; V432-I518 HydrophobicContact CG2-CG1 3.89Å; V432-I518 HydrophobicContact CG2-CG2 4.18Å; V432-V529 WeakPolarHBondContact CA-O 3.32Å; V432-V529 HydrophobicContact CG1-CB 4.45Å; V432-V529 HydrophobicContact CG2-CB 4.31Å; V432-V531 HydrophobicContact CG1-CG2 4.11Å; V432-P556 HydrophobicContact CB-CB 4.39Å; V432-P556 HydrophobicContact CG1-CB 3.99Å; V432-D557 PolarHBondContact N-OD2 3.16Å; V432-D557 PolarHBondContact O-N 2.97Å; V432-L558 PolarHBondContact O-N 2.9Å
433I98.6Very high95.6Very high0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-112.9125.5176.8-49.9-178.4000109.5I417 F431 F435 V528 V529 L530 V531 L558 L560I417-I433 HydrophobicContact CG2-CD1 4.11Å; F431-I433 HydrophobicContact CD1-CD1 3.95Å; F431-I433 HydrophobicContact CD1-CG1 3.67Å; F431-I433 HydrophobicContact CE1-CD1 3.74Å; F431-I433 HydrophobicContact CE1-CG1 3.54Å; I433-F435 HydrophobicContact CB-CE2 4.23Å; I433-F435 HydrophobicContact CG2-CD2 4.36Å; I433-F435 HydrophobicContact CG2-CE2 3.74Å; I433-F435 HydrophobicContact CG2-CZ 3.91Å; I433-V528 HydrophobicContact CD1-CG1 4.37Å; I433-V529 PolarHBondContact N-O 3.13Å; I433-L530 HydrophobicContact CB-CD2 3.79Å; I433-L530 HydrophobicContact CD1-CD2 3.78Å; I433-L530 HydrophobicContact CG1-CD2 4.01Å; I433-V531 PolarHBondContact O-N 3.1Å; I433-L558 WeakPolarHBondContact CA-O 3.41Å; I433-L558 HydrophobicContact CD1-CD2 4.48Å; I433-L558 HydrophobicContact CG1-CB 4.36Å; I433-L558 HydrophobicContact CG2-CB 4.37Å; I433-L558 HydrophobicContact CG2-CD2 4.32Å; I433-L560 HydrophobicContact CG2-CD1 3.68Å; I433-L560 HydrophobicContact CG2-CG 3.95Å
434T98.7Very high95.8Very high0 Ų037.1 Ų37.10%020%0.197CC..EExtended strand (participates in β ladder)trans-106.7126.7176.4-62.20000111.2V531 T533 L550 I551 P556 L558 L560T434-V531 HydrophobicContact CG2-CB 4.49Å; T434-T533 HydrophobicContact CG2-CG2 3.92Å; T434-L550 HydrophobicContact CG2-CD2 4Å; T434-I551 HydrophobicContact CG2-CD1 4.41Å; T434-I551 HydrophobicContact CG2-CG1 4.12Å; T434-P556 WeakPolarHBondContact OG1-CB 3.42Å; T434-L558 PolarHBondContact N-O 2.62Å; T434-L560 PolarHBondContact O-N 3.47Å
435F98.5Very high95.9Very high0 Ų038.8 Ų38.80%021%0.208CC..EExtended strand (participates in β ladder)trans-99120.4176.6-65.7-94.2000110.3I433 L447 I450 L530 V531 T533 L560 V562I433-F435 HydrophobicContact CB-CE2 4.23Å; I433-F435 HydrophobicContact CG2-CD2 4.36Å; I433-F435 HydrophobicContact CG2-CE2 3.74Å; I433-F435 HydrophobicContact CG2-CZ 3.91Å; F435-L447 HydrophobicContact CD2-CB 4.28Å; F435-L447 HydrophobicContact CD2-CD1 3.59Å; F435-L447 HydrophobicContact CD2-CG 3.98Å; F435-L447 HydrophobicContact CE2-CB 4.23Å; F435-L447 HydrophobicContact CE2-CD1 3.93Å; F435-L447 HydrophobicContact CE2-CG 3.82Å; F435-L447 HydrophobicContact CG-CB 4.45Å; F435-L447 HydrophobicContact CG-CD1 4.24Å; F435-L447 HydrophobicContact CZ-CB 4.35Å; F435-L447 HydrophobicContact CZ-CG 4.34Å; F435-I450 HydrophobicContact CE1-CD1 3.45Å; F435-I450 VanDerWaalsContact CE1-CD1 3.45Å; F435-I450 HydrophobicContact CZ-CD1 3.64Å; F435-I450 HydrophobicContact CZ-CG2 4.44Å; F435-L530 HydrophobicContact CE2-CB 4.06Å; F435-L530 HydrophobicContact CE2-CD2 4.03Å; F435-L530 HydrophobicContact CE2-CG 4.42Å; F435-V531 PolarHBondContact N-O 2.92Å; F435-T533 WeakPolarHBondContact O-CB 2.97Å; F435-T533 WeakPolarHBondContact O-CG2 3.31Å; F435-T533 PolarHBondContact O-N 3.21Å; F435-T533 PolarHBondContact O-OG1 3.44Å; F435-L560 WeakPolarHBondContact CA-O 3.48Å; F435-L560 HydrophobicContact CD1-CB 4.27Å; F435-L560 HydrophobicContact CD1-CD1 4.5Å; F435-L560 HydrophobicContact CE1-CB 4.37Å; F435-L560 HydrophobicContact CE1-CD1 3.8Å; F435-L560 HydrophobicContact CZ-CD1 4.09Å; F435-V562 HydrophobicContact CB-CG2 4.38Å; F435-V562 HydrophobicContact CD1-CG2 3.91Å
436C97.3Very high96.2Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-130.7162.4177.269.60000111.4L547 L560 F561 V562 F578C436-L547 HydrophobicContact CB-CD1 3.97Å; C436-L547 HydrophobicContact CB-CD2 3.86Å; C436-L560 PolarHBondContact N-O 3.48Å; C436-F561 CarbonylContact O-C 3.1Å; C436-F561 WeakPolarHBondContact O-CA 3.18Å; C436-V562 PolarHBondContact O-N 3.01Å; C436-F578 HydrophobicContact CB-CE1 4.31Å
437G96Very high96.5Very high0 Ų031.3 Ų31.30%016%0.163CC..  trans148.2173.5-178.900000112.7K443 G535G437-K443 PolarHBondContact O-NZ 2.99Å; G437-G535 WeakPolarHBondContact O-CA 3.3Å
438V95.1Very high96.7Very high8 Ų826.5 Ų26.55%0.04814%0.141CC..SBendtrans-69.7176.6-174.3-55.10000113.3V441 K443 R536 M537 Q574 F578V438-V441 HydrophobicContact CG2-CG1 3.35Å; V438-V441 VanDerWaalsContact O-CG2 3.29Å; V438-V441 WeakPolarHBondContact O-CG2 3.06Å; V438-K443 PolarHBondContact O-NZ 3.33Å; V438-R536 WeakPolarHBondContact CA-O 3.42Å; V438-M537 HydrophobicContact CB-SD 4.49Å; V438-Q574 HydrophobicContact CG1-CB 4.46Å; V438-Q574 HydrophobicContact CG1-CG 3.84Å; V438-F578 HydrophobicContact CG1-CE2 4.02Å; V438-F578 HydrophobicContact CG1-CZ 4.39Å
439N93.3Very high97Very high87 Ų8716.3 Ų16.347%0.46510%0.102SC..THydrogen-bonded Turntrans-67.7140.9-176.7-69-26.2000111.6V441 G535 R536 M537N439-V441 VanDerWaalsContact C-N 3.25Å; N439-V441 PolarHBondContact O-N 2.82Å; N439-V441 VanDerWaalsContact O-N 3.16Å; N439-G535 WeakPolarHBondContact OD1-CA 3.31Å; N439-G535 PolarHBondContact OD1-O 3.11Å; N439-R536 PolarHBondContact OD1-N 3.23Å; N439-M537 HydrophobicContact CB-CE 4.36Å
440G92.9Very high97.1Very high61 Ų6112.4 Ų12.463%0.6299%0.087SC*.THydrogen-bonded Turntrans73.33169.500000117.2G442 K601G440-G442 VanDerWaalsContact C-N 3.26Å; G440-G442 PolarHBondContact O-N 3.46Å; G440-K601 WeakPolarHBondContact O-CE 3.38Å; G440-K601 PolarHBondContact O-NZ 3.43Å
441V94.9Very high97.1Very high1 Ų112.1 Ų12.11%0.0069%0.086CC..SBendtrans-76-5.8179-60.50000114.7V438 N439 K443 V562 E564 T600V438-V441 HydrophobicContact CG2-CG1 3.35Å; V438-V441 VanDerWaalsContact O-CG2 3.29Å; V438-V441 WeakPolarHBondContact O-CG2 3.06Å; N439-V441 VanDerWaalsContact C-N 3.25Å; N439-V441 PolarHBondContact O-N 2.82Å; N439-V441 VanDerWaalsContact O-N 3.16Å; V441-K443 HydrophobicContact CG2-CG 4.08Å; V441-V562 HydrophobicContact CB-CG1 4.5Å; V441-V562 HydrophobicContact CG2-CB 4.1Å; V441-V562 HydrophobicContact CG2-CG1 3.96Å; V441-V562 VanDerWaalsContact CG2-O 3.25Å; V441-V562 WeakPolarHBondContact CG2-O 3.33Å; V441-E564 HydrophobicContact CG1-CB 4.38Å; V441-E564 HydrophobicContact CG1-CG 4.29Å; V441-T600 WeakPolarHBondContact O-CB 3.19Å; V441-T600 WeakPolarHBondContact O-CG2 3.44Å; V441-T600 PolarHBondContact O-OG1 3.45Å
442G96.1Very high97.1Very high21 Ų2112.1 Ų12.122%0.2169%0.085CC..  trans92.631.9175.600000116.2G440 N446G440-G442 VanDerWaalsContact C-N 3.26Å; G440-G442 PolarHBondContact O-N 3.46Å; G442-N446 PolarHBondContact O-N 3.02Å; G442-N446 PolarHBondContact O-ND2 3.41Å
443K97.6Very high97Very high13 Ų1312.4 Ų12.46%0.0579%0.086CC..Hα-helixtrans-52.6-63.9175-69.6-175.3-66.4-69.90113G437 V438 V441 T445 N446 L447 T533 V562G437-K443 PolarHBondContact O-NZ 2.99Å; V438-K443 PolarHBondContact O-NZ 3.33Å; V441-K443 HydrophobicContact CG2-CG 4.08Å; K443-T445 VanDerWaalsContact C-N 3.29Å; K443-T445 PolarHBondContact O-N 3.47Å; K443-N446 PolarHBondContact O-N 3.31Å; K443-L447 VanDerWaalsContact O-CB 3.31Å; K443-L447 WeakPolarHBondContact O-CB 3.47Å; K443-L447 PolarHBondContact O-N 2.85Å; K443-T533 WeakPolarHBondContact CE-O 3.24Å; K443-V562 HydrophobicContact CB-CG2 4.5Å; K443-V562 HydrophobicContact CG-CB 3.81Å; K443-V562 HydrophobicContact CG-CG1 4.28Å; K443-V562 HydrophobicContact CG-CG2 3.84Å
444S97.4Very high96.9Very high6 Ų612.4 Ų12.44%0.0429%0.086CC..Hα-helixtrans-58.8-38.3-177.1-42.40000112.8A448 R470 D532S444-A448 PolarHBondContact O-N 3.36Å; S444-A448 VanDerWaalsContact O-N 3.14Å; S444-R470 PolarHBondContact OG-NH2 2.82Å; S444-D532 VanDerWaalsContact CB-OD2 3.28Å; S444-D532 WeakPolarHBondContact CB-OD2 3.1Å; S444-D532 PolarHBondContact OG-OD2 2.82Å
445T97.8Very high96.7Very high35 Ų3512.6 Ų12.622%0.2159%0.087CC..Hα-helixtrans-67.4-50.1179.1-51.90000111.5K443 L447 A448 K449K443-T445 VanDerWaalsContact C-N 3.29Å; K443-T445 PolarHBondContact O-N 3.47Å; T445-L447 VanDerWaalsContact C-N 3.33Å; T445-A448 WeakPolarHBondContact O-CB 3.21Å; T445-A448 PolarHBondContact O-N 3.03Å; T445-A448 VanDerWaalsContact O-N 3.14Å; T445-K449 WeakPolarHBondContact O-CG 3.37Å; T445-K449 PolarHBondContact O-N 3.04Å; T445-K449 VanDerWaalsContact O-N 3.11Å
446N98.3Very high96.5Very high7 Ų714.3 Ų14.34%0.03710%0.095CC..Hα-helixtrans-72.4-28.2-179.3-69.8-81.7000112.2G442 K443 A448 K449 I450 V598 T600G442-N446 PolarHBondContact O-N 3.02Å; G442-N446 PolarHBondContact O-ND2 3.41Å; K443-N446 PolarHBondContact O-N 3.31Å; N446-A448 VanDerWaalsContact C-N 3.3Å; N446-A448 PolarHBondContact O-N 3.48Å; N446-K449 PolarHBondContact O-N 3.01Å; N446-K449 PolarHBondContact OD1-NZ 3.43Å; N446-I450 WeakPolarHBondContact O-CG1 3.47Å; N446-I450 PolarHBondContact O-N 2.9Å; N446-V598 HydrophobicContact CB-CG1 4.14Å; N446-T600 WeakPolarHBondContact ND2-CG2 3.29Å
447L98.4Very high96.3Very high0 Ų016 Ų160%010%0.104CC..Hα-helixtrans-56.1-47166.5-176.8160.6000110.4F435 K443 T445 K449 I450 S451 I463 L530 D532F435-L447 HydrophobicContact CD2-CB 4.28Å; F435-L447 HydrophobicContact CD2-CD1 3.59Å; F435-L447 HydrophobicContact CD2-CG 3.98Å; F435-L447 HydrophobicContact CE2-CB 4.23Å; F435-L447 HydrophobicContact CE2-CD1 3.93Å; F435-L447 HydrophobicContact CE2-CG 3.82Å; F435-L447 HydrophobicContact CG-CB 4.45Å; F435-L447 HydrophobicContact CG-CD1 4.24Å; F435-L447 HydrophobicContact CZ-CB 4.35Å; F435-L447 HydrophobicContact CZ-CG 4.34Å; K443-L447 VanDerWaalsContact O-CB 3.31Å; K443-L447 WeakPolarHBondContact O-CB 3.47Å; K443-L447 PolarHBondContact O-N 2.85Å; T445-L447 VanDerWaalsContact C-N 3.33Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.36Å; L447-I450 PolarHBondContact O-N 3.28Å; L447-S451 PolarHBondContact O-N 3.34Å; L447-S451 PolarHBondContact O-OG 3.06Å; L447-S451 VanDerWaalsContact O-OG 3.1Å; L447-I463 HydrophobicContact CD2-CD1 4.14Å; L447-I463 HydrophobicContact CD2-CG1 4.06Å; L447-I463 HydrophobicContact CD2-CG2 3.94Å; L447-L530 HydrophobicContact CD1-CB 3.98Å; L447-L530 HydrophobicContact CD2-CB 3.96Å; L447-L530 HydrophobicContact CD2-CD1 3.93Å; L447-L530 HydrophobicContact CG-CB 3.85Å; L447-L530 HydrophobicContact CG-CD1 4.01Å; L447-D532 HydrophobicContact CD1-CB 3.61Å
448A98.1Very high96.1Very high0 Ų019 Ų190%013%0.134CC..Hα-helixtrans-65.9-33.5177.600000113.5S444 T445 N446 S451 Y452 H480 Y632S444-A448 PolarHBondContact O-N 3.36Å; S444-A448 VanDerWaalsContact O-N 3.14Å; T445-A448 WeakPolarHBondContact O-CB 3.21Å; T445-A448 PolarHBondContact O-N 3.03Å; T445-A448 VanDerWaalsContact O-N 3.14Å; N446-A448 VanDerWaalsContact C-N 3.3Å; N446-A448 PolarHBondContact O-N 3.48Å; A448-S451 WeakPolarHBondContact O-CB 3.38Å; A448-S451 PolarHBondContact O-N 2.89Å; A448-Y452 PolarHBondContact O-N 3.32Å; A448-H480 HydrophobicContact CB-CB 3.88Å; A448-H480 VanDerWaalsContact CB-CG 3.5Å; A448-H480 WeakPolarHBondContact CB-ND1 3.28Å; A448-Y632 HydrophobicContact CB-CE1 3.95Å
449K98.2Very high96.1Very high2 Ų219.4 Ų19.41%0.00914%0.135CC..Hα-helixtrans-64.5-43171.8-52.8-172.4-172.4170.10111.5T445 N446 L447 S451 Y452 W453 G629 T631 Y632 D634 L635T445-K449 WeakPolarHBondContact O-CG 3.37Å; T445-K449 PolarHBondContact O-N 3.04Å; T445-K449 VanDerWaalsContact O-N 3.11Å; N446-K449 PolarHBondContact O-N 3.01Å; N446-K449 PolarHBondContact OD1-NZ 3.43Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.36Å; K449-S451 VanDerWaalsContact C-N 3.34Å; K449-Y452 WeakPolarHBondContact O-CB 3.37Å; K449-Y452 PolarHBondContact O-N 3.33Å; K449-W453 PolarHBondContact O-N 3.48Å; K449-G629 PolarHBondContact NZ-O 3.21Å; K449-T631 WeakPolarHBondContact CD-O 3.28Å; K449-T631 WeakPolarHBondContact CE-O 3.08Å; K449-Y632 HydrophobicContact CG-CD1 4.49Å; K449-D634 PolarHBondContact NZ-O 3.39Å; K449-L635 HydrophobicContact CB-CB 4.19Å; K449-L635 HydrophobicContact CB-CD1 4.23Å; K449-L635 HydrophobicContact CB-CD2 4.18Å; K449-L635 HydrophobicContact CB-CG 4.45Å; K449-L635 HydrophobicContact CD-CB 4.2Å; K449-L635 HydrophobicContact CD-CD1 4.24Å
450I97.9Very high96.2Very high0 Ų016.2 Ų16.20%012%0.12CC..Hα-helixtrans-66.8-37.8176.9-68.2161.9000110.4F435 N446 L447 Y452 W453 L454 L530 V598 F625 L635F435-I450 HydrophobicContact CE1-CD1 3.45Å; F435-I450 VanDerWaalsContact CE1-CD1 3.45Å; F435-I450 HydrophobicContact CZ-CD1 3.64Å; F435-I450 HydrophobicContact CZ-CG2 4.44Å; N446-I450 WeakPolarHBondContact O-CG1 3.47Å; N446-I450 PolarHBondContact O-N 2.9Å; L447-I450 PolarHBondContact O-N 3.28Å; I450-Y452 VanDerWaalsContact C-N 3.35Å; I450-Y452 PolarHBondContact O-N 3.2Å; I450-W453 HydrophobicContact CG2-CE3 4.38Å; I450-W453 PolarHBondContact O-N 2.73Å; I450-L454 HydrophobicContact CG2-CD1 3.99Å; I450-L454 HydrophobicContact CG2-CG 4.35Å; I450-L454 WeakPolarHBondContact O-CB 3.27Å; I450-L454 VanDerWaalsContact O-CG 3.28Å; I450-L454 WeakPolarHBondContact O-CG 3.23Å; I450-L454 PolarHBondContact O-N 3.4Å; I450-L530 HydrophobicContact CG2-CD1 4.42Å; I450-V598 HydrophobicContact CD1-CG2 4.46Å; I450-F625 HydrophobicContact CD1-CD2 3.59Å; I450-F625 HydrophobicContact CD1-CE2 3.77Å; I450-F625 HydrophobicContact CD1-CG 4.42Å; I450-F625 HydrophobicContact CG1-CD2 3.95Å; I450-F625 HydrophobicContact CG1-CE2 3.87Å; I450-F625 HydrophobicContact CG1-CG 4.5Å; I450-F625 HydrophobicContact CG1-CZ 4.38Å; I450-F625 HydrophobicContact CG2-CE2 4.47Å; I450-L635 HydrophobicContact CG1-CD1 4.43Å; I450-L635 HydrophobicContact CG1-CD2 3.78Å
451S97.8Very high96.5Very high0 Ų013.3 Ų13.30%09%0.09CC..Hα-helixtrans-56.3-49.8169.7-57.70000111.1L447 A448 K449 W453 L454 I455 L530L447-S451 PolarHBondContact O-N 3.34Å; L447-S451 PolarHBondContact O-OG 3.06Å; L447-S451 VanDerWaalsContact O-OG 3.1Å; A448-S451 WeakPolarHBondContact O-CB 3.38Å; A448-S451 PolarHBondContact O-N 2.89Å; K449-S451 VanDerWaalsContact C-N 3.34Å; S451-W453 PolarHBondContact O-N 2.77Å; S451-L454 PolarHBondContact O-N 3.39Å; S451-I455 WeakPolarHBondContact O-CD1 3.49Å; S451-I455 WeakPolarHBondContact O-CG1 3.29Å; S451-I455 PolarHBondContact O-N 2.94Å; S451-L530 WeakPolarHBondContact OG-CD1 3.45Å
452Y97Very high96.7Very high6 Ų613.3 Ų13.32%0.0249%0.09CC..Hα-helixtrans-56.5-49.9178-177.3-110.8000111.6V286 M289 A448 K449 I450 L454 I455 E456 L484 L487 H488 Y632 N633V286-Y452 HydrophobicContact CG1-CE1 3.95Å; V286-Y452 HydrophobicContact CG1-CE2 4.46Å; V286-Y452 WeakPolarHBondContact CG1-OH 3.42Å; M289-Y452 HydrophobicContact CB-CE1 4.31Å; M289-Y452 HydrophobicContact CG-CD1 4.24Å; M289-Y452 HydrophobicContact CG-CE1 3.9Å; M289-Y452 HydrophobicContact SD-CD1 3.67Å; M289-Y452 HydrophobicContact SD-CE1 3.91Å; A448-Y452 PolarHBondContact O-N 3.32Å; K449-Y452 WeakPolarHBondContact O-CB 3.37Å; K449-Y452 PolarHBondContact O-N 3.33Å; I450-Y452 VanDerWaalsContact C-N 3.35Å; I450-Y452 PolarHBondContact O-N 3.2Å; Y452-L454 PolarHBondContact O-N 2.98Å; Y452-I455 PolarHBondContact O-N 3.05Å; Y452-E456 HydrophobicContact CD1-CG 4.31Å; Y452-E456 HydrophobicContact CD2-CG 4.45Å; Y452-E456 HydrophobicContact CE1-CG 3.89Å; Y452-E456 HydrophobicContact CE2-CG 4.03Å; Y452-E456 VanDerWaalsContact CZ-OE1 3.28Å; Y452-E456 WeakPolarHBondContact O-CG 3.28Å; Y452-E456 PolarHBondContact O-N 2.99Å; Y452-E456 PolarHBondContact OH-OE1 3.23Å; Y452-L484 HydrophobicContact CD2-CD2 3.89Å; Y452-L484 HydrophobicContact CG-CD2 4.26Å; Y452-L487 HydrophobicContact CD2-CD1 4.36Å; Y452-L487 HydrophobicContact CE2-CD1 4.13Å; Y452-H488 AromaticContact CD2-NE2 3.46Å; Y452-H488 WeakPolarHBondContact CD2-NE2 3.4Å; Y452-H488 AromaticContact CE2-NE2 3.18Å; Y452-H488 WeakPolarHBondContact CE2-NE2 3.44Å; Y452-Y632 HydrophobicContact CD2-CD2 4.29Å; Y452-Y632 HydrophobicContact CG-CD2 4.3Å; Y452-Y632 HydrophobicContact CG-CG 4.28Å; Y452-N633 WeakPolarHBondContact CE1-OD1 3.29Å
453W97.1Very high96.8Very high13 Ų1312.3 Ų12.35%0.0498%0.079CC..Hα-helixtrans-59.5-41.2176.9171.268.7000113.2M289 G291 L293 I417 L418 K449 I450 S451 E456 N457 F625 L635M289-W453 HydrophobicContact SD-CB 4.45Å; G291-W453 PolarHBondContact O-NE1 3.32Å; L293-W453 VanDerWaalsContact CD2-CD1 3.4Å; L293-W453 HydrophobicContact CD2-CG 4.05Å; L293-W453 HydrophobicContact CG-CG 4.43Å; I417-W453 HydrophobicContact CB-CH2 4.06Å; I417-W453 HydrophobicContact CB-CZ3 4.21Å; I417-W453 HydrophobicContact CG2-CH2 4.33Å; I417-W453 HydrophobicContact CG2-CZ3 4.06Å; L418-W453 HydrophobicContact CD1-CH2 4.37Å; L418-W453 HydrophobicContact CD1-CZ2 3.82Å; L418-W453 HydrophobicContact CD2-CH2 3.47Å; L418-W453 VanDerWaalsContact CD2-CH2 3.47Å; L418-W453 HydrophobicContact CD2-CZ2 3.57Å; L418-W453 HydrophobicContact CD2-CZ3 4.05Å; L418-W453 HydrophobicContact CG-CH2 3.65Å; L418-W453 HydrophobicContact CG-CZ2 3.62Å; K449-W453 PolarHBondContact O-N 3.48Å; I450-W453 HydrophobicContact CG2-CE3 4.38Å; I450-W453 PolarHBondContact O-N 2.73Å; S451-W453 PolarHBondContact O-N 2.77Å; W453-E456 PolarHBondContact O-N 2.89Å; W453-N457 PolarHBondContact NE1-ND2 3.02Å; W453-N457 PolarHBondContact O-N 3.16Å; W453-N457 VanDerWaalsContact O-N 3.16Å; W453-N457 PolarHBondContact O-ND2 3.22Å; W453-F625 HydrophobicContact CE3-CE1 4.34Å; W453-F625 AromaticContact CE3-CZ 3.95Å; W453-F625 HydrophobicContact CE3-CZ 3.95Å; W453-F625 HydrophobicContact CH2-CE1 4.42Å; W453-F625 HydrophobicContact CH2-CZ 4.05Å; W453-F625 HydrophobicContact CZ3-CE1 4.27Å; W453-F625 AromaticContact CZ3-CZ 3.65Å; W453-F625 HydrophobicContact CZ3-CZ 3.65Å; W453-L635 HydrophobicContact CB-CD2 4.33Å
454L96.8Very high96.8Very high0 Ų011.7 Ų11.70%08%0.077CC..Hα-helixtrans-64.3-40.3176.8-73.9168.1000112.2I417 L418 I450 S451 Y452 N457 G458 F459 V461 V528 L530I417-L454 HydrophobicContact CG2-CD2 4.28Å; L418-L454 HydrophobicContact CD2-CD2 4.27Å; I450-L454 HydrophobicContact CG2-CD1 3.99Å; I450-L454 HydrophobicContact CG2-CG 4.35Å; I450-L454 WeakPolarHBondContact O-CB 3.27Å; I450-L454 VanDerWaalsContact O-CG 3.28Å; I450-L454 WeakPolarHBondContact O-CG 3.23Å; I450-L454 PolarHBondContact O-N 3.4Å; S451-L454 PolarHBondContact O-N 3.39Å; Y452-L454 PolarHBondContact O-N 2.98Å; L454-N457 CarbonylContact O-C 3.59Å; L454-N457 WeakPolarHBondContact O-CA 3.5Å; L454-N457 PolarHBondContact O-N 2.94Å; L454-N457 VanDerWaalsContact O-N 3.17Å; L454-G458 PolarHBondContact O-N 2.82Å; L454-F459 HydrophobicContact CB-CB 4.38Å; L454-F459 HydrophobicContact CD2-CD2 4.17Å; L454-F459 WeakPolarHBondContact O-CB 3.19Å; L454-F459 PolarHBondContact O-N 3.4Å; L454-V461 HydrophobicContact CB-CG2 3.8Å; L454-V461 HydrophobicContact CD1-CG2 4.06Å; L454-V528 HydrophobicContact CD1-CB 4.24Å; L454-V528 HydrophobicContact CD1-CG1 3.84Å; L454-V528 HydrophobicContact CD1-CG2 4.23Å; L454-V528 HydrophobicContact CD2-CG2 4.4Å; L454-L530 HydrophobicContact CD1-CD1 4.32Å; L454-L530 HydrophobicContact CD1-CD2 4.13Å
455I94.8Very high96.8Very high4 Ų411.5 Ų11.52%0.0218%0.076CC..Hα-helixtrans-69.8-39.8178.7-58.7149.7000111.2S451 Y452 N457 G458 F459 V461 L484 H488 V498 V499S451-I455 WeakPolarHBondContact O-CD1 3.49Å; S451-I455 WeakPolarHBondContact O-CG1 3.29Å; S451-I455 PolarHBondContact O-N 2.94Å; Y452-I455 PolarHBondContact O-N 3.05Å; I455-N457 PolarHBondContact O-N 3.46Å; I455-G458 PolarHBondContact O-N 2.9Å; I455-F459 WeakPolarHBondContact CA-O 3.48Å; I455-V461 HydrophobicContact CG1-CG2 4.19Å; I455-L484 HydrophobicContact CD1-CB 4.46Å; I455-L484 HydrophobicContact CD1-CD2 4.32Å; I455-H488 HydrophobicContact CG2-CB 3.88Å; I455-H488 VanDerWaalsContact CG2-CG 3.43Å; I455-V498 HydrophobicContact CG2-CB 4.23Å; I455-V498 HydrophobicContact CG2-CG2 3.93Å; I455-V499 HydrophobicContact CD1-CG2 3.09Å; I455-V499 HydrophobicContact CG1-CG2 3.86Å
456E93.5Very high96.8Very high36 Ų369.9 Ų9.917%0.1687%0.066CC..Hα-helixtrans-59.9-25.8172.4-73.8-75.9150.500111.9S288 M289 Y452 W453 H488S288-E456 WeakPolarHBondContact CA-OE2 3.27Å; S288-E456 VanDerWaalsContact CB-OE2 3.31Å; S288-E456 WeakPolarHBondContact CB-OE2 3.28Å; S288-E456 PolarHBondContact OG-OE2 3.46Å; M289-E456 HydrophobicContact CB-CB 4.28Å; M289-E456 HydrophobicContact CB-CG 4.2Å; M289-E456 PolarHBondContact N-OE2 3.17Å; Y452-E456 HydrophobicContact CD1-CG 4.31Å; Y452-E456 HydrophobicContact CD2-CG 4.45Å; Y452-E456 HydrophobicContact CE1-CG 3.89Å; Y452-E456 HydrophobicContact CE2-CG 4.03Å; Y452-E456 VanDerWaalsContact CZ-OE1 3.28Å; Y452-E456 WeakPolarHBondContact O-CG 3.28Å; Y452-E456 PolarHBondContact O-N 2.99Å; Y452-E456 PolarHBondContact OH-OE1 3.23Å; W453-E456 PolarHBondContact O-N 2.89Å; E456-H488 IonicContact OE1-CE1 2.84Å; E456-H488 PolarHBondContact OE1-CE1 2.93Å; E456-H488 IonicContact OE1-NE2 3.13Å; E456-H488 PolarHBondContact OE1-NE2 3.22Å
457N93.4Very high96.7Very high37 Ų379.7 Ų9.720%0.1987%0.065CC..THydrogen-bonded Turntrans-93.410.2172.7-73.8-76.4000114.2G291 L418 W453 L454 I455 F459G291-N457 WeakPolarHBondContact CA-OD1 3.4Å; G291-N457 PolarHBondContact N-OD1 3.2Å; L418-N457 HydrophobicContact CD2-CB 3.88Å; W453-N457 PolarHBondContact NE1-ND2 3.02Å; W453-N457 PolarHBondContact O-N 3.16Å; W453-N457 VanDerWaalsContact O-N 3.16Å; W453-N457 PolarHBondContact O-ND2 3.22Å; L454-N457 CarbonylContact O-C 3.59Å; L454-N457 WeakPolarHBondContact O-CA 3.5Å; L454-N457 PolarHBondContact O-N 2.94Å; L454-N457 VanDerWaalsContact O-N 3.17Å; I455-N457 PolarHBondContact O-N 3.46Å; N457-F459 HydrophobicContact CB-CD2 4.22Å; N457-F459 HydrophobicContact CB-CE2 4.33Å
458G92.3Very high96.4Very high61 Ų6110.6 Ų10.663%0.6297%0.071SC*.THydrogen-bonded Turntrans85.712.6171.100000115.5L454 I455L454-G458 PolarHBondContact O-N 2.82Å; I455-G458 PolarHBondContact O-N 2.9Å
459F95Very high96Very high18 Ų1818.5 Ų18.58%0.07911%0.105CC..  trans-95.6142.2177.5-62.3-66000112.5L418 V421 M422 L454 I455 N457 D527 V528L418-F459 HydrophobicContact CB-CE2 4.38Å; L418-F459 HydrophobicContact CD2-CD2 4.15Å; L418-F459 HydrophobicContact CD2-CE2 3.68Å; V421-F459 HydrophobicContact CB-CE1 4.27Å; V421-F459 HydrophobicContact CB-CZ 4.23Å; V421-F459 HydrophobicContact CG1-CD1 3.53Å; V421-F459 HydrophobicContact CG1-CD2 4.41Å; V421-F459 HydrophobicContact CG1-CE1 3.47Å; V421-F459 VanDerWaalsContact CG1-CE1 3.47Å; V421-F459 HydrophobicContact CG1-CE2 4.35Å; V421-F459 HydrophobicContact CG1-CG 4.02Å; V421-F459 HydrophobicContact CG1-CZ 3.9Å; M422-F459 HydrophobicContact CG-CE1 4.29Å; M422-F459 HydrophobicContact CG-CZ 3.95Å; L454-F459 HydrophobicContact CB-CB 4.38Å; L454-F459 HydrophobicContact CD2-CD2 4.17Å; L454-F459 WeakPolarHBondContact O-CB 3.19Å; L454-F459 PolarHBondContact O-N 3.4Å; I455-F459 WeakPolarHBondContact CA-O 3.48Å; N457-F459 HydrophobicContact CB-CD2 4.22Å; N457-F459 HydrophobicContact CB-CE2 4.33Å; F459-D527 HydrophobicContact CB-CB 4.27Å; F459-D527 HydrophobicContact CD1-CB 4.07Å; F459-V528 HydrophobicContact CB-CG2 4.33Å
460S95.8Very high95.7Very high20 Ų2023.6 Ų23.614%0.1412%0.124CC..  trans-85.2138.617062.20000111.3V498 F526 D527 V528S460-V498 CarbonylContact C-O 3.5Å; S460-V498 WeakPolarHBondContact CA-O 3.3Å; S460-F526 WeakPolarHBondContact OG-CA 3.37Å; S460-D527 WeakPolarHBondContact CB-OD2 3.4Å; S460-D527 PolarHBondContact N-OD2 3.47Å; S460-D527 PolarHBondContact O-N 3.26Å; S460-D527 PolarHBondContact OG-N 2.97Å; S460-D527 PolarHBondContact OG-OD2 2.94Å; S460-V528 PolarHBondContact O-N 3.25Å
461V98.1Very high95.4Very high0 Ų028.1 Ų28.10%016%0.162CC..EExtended strand (participates in β ladder)trans-127.4123-170-176.20000111.5L454 I455 I463 V498 V499 Q500 V528 L530L454-V461 HydrophobicContact CB-CG2 3.8Å; L454-V461 HydrophobicContact CD1-CG2 4.06Å; I455-V461 HydrophobicContact CG1-CG2 4.19Å; V461-I463 HydrophobicContact CG1-CG1 4.36Å; V461-V498 PolarHBondContact N-O 2.84Å; V461-V499 WeakPolarHBondContact O-CA 3.28Å; V461-Q500 PolarHBondContact O-N 3.25Å; V461-V528 WeakPolarHBondContact CA-O 3.21Å; V461-V528 HydrophobicContact CG2-CB 4.43Å; V461-L530 HydrophobicContact CG1-CD1 3.73Å; V461-L530 HydrophobicContact CG1-CG 3.75Å
462L98.5Very high95.2Very high0 Ų029.8 Ų29.80%018%0.179CC..EExtended strand (participates in β ladder)trans-96.7120.1165.6-172.774000109.8Q500 A517 Y520 A521 F526 V528 V529 L530L462-Q500 HydrophobicContact CD1-CB 3.86Å; L462-Q500 HydrophobicContact CD1-CG 4.15Å; L462-A517 HydrophobicContact CD2-CB 4.25Å; L462-A517 WeakPolarHBondContact CD2-O 3.42Å; L462-Y520 HydrophobicContact CD1-CD1 4.04Å; L462-Y520 HydrophobicContact CD1-CE1 4.1Å; L462-Y520 HydrophobicContact CD2-CD1 3.83Å; L462-A521 HydrophobicContact CB-CB 4.4Å; L462-A521 HydrophobicContact CD2-CB 3.71Å; L462-F526 HydrophobicContact CB-CB 4.17Å; L462-F526 HydrophobicContact CB-CD1 4.26Å; L462-F526 HydrophobicContact CB-CD2 4.23Å; L462-F526 HydrophobicContact CB-CG 3.96Å; L462-F526 HydrophobicContact CD1-CD2 4.32Å; L462-F526 HydrophobicContact CD1-CE2 4.17Å; L462-F526 HydrophobicContact CD1-CZ 4.49Å; L462-V528 PolarHBondContact N-O 3.43Å; L462-V529 HydrophobicContact CB-CG2 4.34Å; L462-V529 HydrophobicContact CD2-CG2 4.43Å; L462-V529 CarbonylContact O-C 3.26Å; L462-V529 WeakPolarHBondContact O-CA 3.34Å; L462-L530 PolarHBondContact O-N 3.35Å
463I98.6Very high95Very high0 Ų029.6 Ų29.60%018%0.179CC..EExtended strand (participates in β ladder)trans-89.6118.7173.3-59.4175.8000108.3L447 V461 L477 L484 V499 Q500 L501 Y502L447-I463 HydrophobicContact CD2-CD1 4.14Å; L447-I463 HydrophobicContact CD2-CG1 4.06Å; L447-I463 HydrophobicContact CD2-CG2 3.94Å; V461-I463 HydrophobicContact CG1-CG1 4.36Å; I463-L477 HydrophobicContact CG2-CD1 4.07Å; I463-L477 HydrophobicContact CG2-CD2 4.2Å; I463-L484 HydrophobicContact CD1-CD1 4.49Å; I463-V499 HydrophobicContact CD1-CG1 3.85Å; I463-V499 HydrophobicContact CG1-CG1 4.22Å; I463-Q500 PolarHBondContact N-O 3.16Å; I463-L501 HydrophobicContact CB-CD1 4.02Å; I463-L501 HydrophobicContact CG2-CD1 3.76Å; I463-Y502 PolarHBondContact O-N 2.84Å
464A98.5Very high95Very high0 Ų029.1 Ų29.10%018%0.177CC..EExtended strand (participates in β ladder)trans-96.5110175.500000110.5C466 A517 V529 L530 V531 D532A464-C466 PolarHBondContact O-N 3.39Å; A464-C466 VanDerWaalsContact O-N 3.07Å; A464-A517 HydrophobicContact CB-CB 3.56Å; A464-V529 HydrophobicContact CB-CG1 4.25Å; A464-L530 PolarHBondContact N-O 3.48Å; A464-V531 HydrophobicContact CB-CG2 4.27Å; A464-D532 PolarHBondContact O-N 3.22Å
465A97.8Very high95Very high3 Ų332.8 Ų32.83%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-78.988.8-179.900000111.3V474 L477 L501 Y502 E503A465-V474 HydrophobicContact CB-CG2 4.42Å; A465-L477 HydrophobicContact CB-CD1 3.72Å; A465-L501 HydrophobicContact CB-CD1 4.05Å; A465-Y502 PolarHBondContact N-O 3Å; A465-E503 HydrophobicContact CB-CB 4.08Å
466C97.3Very high95.1Very high1 Ų135.3 Ų35.31%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-103.24.4179.9-56.50000113.3A464 T468 A510 V531 D532 L550A464-C466 PolarHBondContact O-N 3.39Å; A464-C466 VanDerWaalsContact O-N 3.07Å; C466-T468 VanDerWaalsContact C-N 3.35Å; C466-T468 PolarHBondContact O-N 3.22Å; C466-T468 VanDerWaalsContact O-N 3.16Å; C466-A510 HydrophobicContact CB-CB 4.04Å; C466-A510 WeakPolarHBondContact O-CB 3.2Å; C466-V531 HydrophobicContact CB-CG1 4.11Å; C466-D532 CarbonylContact C-O 3.58Å; C466-D532 VanDerWaalsContact C-O 3.22Å; C466-D532 WeakPolarHBondContact CA-O 3.48Å; C466-D532 WeakPolarHBondContact CB-O 3.5Å; C466-D532 PolarHBondContact N-O 2.99Å; C466-L550 HydrophobicContact CB-CD1 4.43Å
467D96.1Very high95.3Very high2 Ų233.6 Ų33.61%0.01120%0.198CC..  trans-79.782.5163.4-173.3-3.4000109.8F469 R470 A473 D532 A534D467-F469 PolarHBondContact OD1-N 2.82Å; D467-R470 WeakPolarHBondContact OD1-CB 3.46Å; D467-R470 PolarHBondContact OD1-N 3Å; D467-R470 VanDerWaalsContact OD1-N 3.11Å; D467-R470 IonicContact OD2-CZ 2.68Å; D467-R470 IonicContact OD2-NE 3.78Å; D467-R470 PolarHBondContact OD2-NE 3.49Å; D467-R470 IonicContact OD2-NH2 3.59Å; D467-R470 PolarHBondContact OD2-NH2 2.82Å; D467-R470 VanDerWaalsContact OD2-NH2 3.13Å; D467-A473 HydrophobicContact CB-CB 3.83Å; D467-A473 VanDerWaalsContact CG-CB 3.48Å; D467-A473 WeakPolarHBondContact OD2-CB 3.5Å; D467-D532 PolarHBondContact N-O 3.43Å; D467-D532 VanDerWaalsContact N-O 3.16Å; D467-A534 HydrophobicContact CB-CB 4.24Å; D467-A534 VanDerWaalsContact OD1-CB 3.3Å; D467-A534 WeakPolarHBondContact OD1-CB 3.47Å
468T91.9Very high95.4Very high20 Ų2034.6 Ų34.612%0.12320%0.199CC..  trans-91.53-179.560.40000113.6C466 G507 K508 I513C466-T468 VanDerWaalsContact C-N 3.35Å; C466-T468 PolarHBondContact O-N 3.22Å; C466-T468 VanDerWaalsContact O-N 3.16Å; T468-G507 PolarHBondContact O-N 3.19Å; T468-K508 HydrophobicContact CG2-CB 4.48Å; T468-K508 PolarHBondContact OG1-O 3Å; T468-I513 HydrophobicContact CG2-CD1 3.38Å
469F89.3Confident95.7Very high166 Ų16635.8 Ų35.873%0.72819%0.194SC*.SBendtrans-104.8-42.3-173.2-178.3-99.6000112.8D467 A534D467-F469 PolarHBondContact OD1-N 2.82Å; F469-A534 HydrophobicContact CB-CB 4.39Å
470R93.1Very high95.8Very high108 Ų10836.2 Ų36.241%0.40820%0.196SC..SBendtrans-84.1128.2-174.6179.9174.957.4129.36.2111.4S444 D467 G472 A473 Y506S444-R470 PolarHBondContact OG-NH2 2.82Å; D467-R470 WeakPolarHBondContact OD1-CB 3.46Å; D467-R470 PolarHBondContact OD1-N 3Å; D467-R470 VanDerWaalsContact OD1-N 3.11Å; D467-R470 IonicContact OD2-CZ 2.68Å; D467-R470 IonicContact OD2-NE 3.78Å; D467-R470 PolarHBondContact OD2-NE 3.49Å; D467-R470 IonicContact OD2-NH2 3.59Å; D467-R470 PolarHBondContact OD2-NH2 2.82Å; D467-R470 VanDerWaalsContact OD2-NH2 3.13Å; R470-G472 PolarHBondContact O-N 2.94Å; R470-A473 HydrophobicContact CB-CB 4.2Å; R470-A473 VanDerWaalsContact O-CB 3.28Å; R470-A473 WeakPolarHBondContact O-CB 3.41Å; R470-A473 PolarHBondContact O-N 3.37Å; R470-Y506 VanDerWaalsContact O-CE1 3.22Å; R470-Y506 WeakPolarHBondContact O-CE1 3.44Å
471A90.4Very high95.9Very high96 Ų9637.1 Ų37.179%0.79320%0.198SC*.THydrogen-bonded Turntrans-59133.7175.100000111.6A473A471-A473 VanDerWaalsContact C-N 3.27Å; A471-A473 PolarHBondContact O-N 3.36Å
472G93.4Very high95.8Very high35 Ų3544.7 Ų44.736%0.36123%0.227SC..THydrogen-bonded Turntrans77.81.5179.600000115.1R470 E475 Q476 Y506R470-G472 PolarHBondContact O-N 2.94Å; G472-E475 PolarHBondContact O-N 2.78Å; G472-Q476 WeakPolarHBondContact O-CB 3.47Å; G472-Q476 PolarHBondContact O-N 2.88Å; G472-Y506 VanDerWaalsContact CA-OH 3.29Å; G472-Y506 WeakPolarHBondContact CA-OH 3.31Å; G472-Y506 PolarHBondContact N-OH 3.01Å
473A94.4Very high95.6Very high2 Ų249.9 Ų49.92%0.01725%0.246CC..Hα-helixtrans-64.4-41179.600000112.4D467 R470 A471 Q476 L477 Y506D467-A473 HydrophobicContact CB-CB 3.83Å; D467-A473 VanDerWaalsContact CG-CB 3.48Å; D467-A473 WeakPolarHBondContact OD2-CB 3.5Å; R470-A473 HydrophobicContact CB-CB 4.2Å; R470-A473 VanDerWaalsContact O-CB 3.28Å; R470-A473 WeakPolarHBondContact O-CB 3.41Å; R470-A473 PolarHBondContact O-N 3.37Å; A471-A473 VanDerWaalsContact C-N 3.27Å; A471-A473 PolarHBondContact O-N 3.36Å; A473-Q476 WeakPolarHBondContact O-CB 3.33Å; A473-Q476 PolarHBondContact O-N 2.89Å; A473-L477 PolarHBondContact O-N 3.44Å; A473-Y506 PolarHBondContact N-OH 3.29Å
474V95.3Very high95.4Very high2 Ų249.9 Ų49.91%0.01225%0.246CC..Hα-helixtrans-67.6-45.2176.7174.50000110.6A465 Q476 L477 R478 E503 Y506A465-V474 HydrophobicContact CB-CG2 4.42Å; V474-Q476 VanDerWaalsContact C-N 3.28Å; V474-Q476 PolarHBondContact O-N 3.42Å; V474-L477 PolarHBondContact O-N 2.83Å; V474-R478 WeakPolarHBondContact O-CB 3.45Å; V474-R478 PolarHBondContact O-N 2.89Å; V474-E503 HydrophobicContact CG1-CB 4.18Å; V474-E503 HydrophobicContact CG1-CG 4.43Å; V474-E503 WeakPolarHBondContact CG1-OE2 3.27Å; V474-Y506 HydrophobicContact CB-CE1 4.39Å; V474-Y506 HydrophobicContact CB-CE2 4.47Å; V474-Y506 HydrophobicContact CG2-CD1 4.46Å; V474-Y506 HydrophobicContact CG2-CE1 3.86Å; V474-Y506 HydrophobicContact CG2-CE2 4.44Å; V474-Y506 PolarHBondContact N-OH 3.22Å; V474-Y506 VanDerWaalsContact N-OH 3.17Å
475E97Very high95.1Very high78 Ų7851.2 Ų51.236%0.36425%0.254SS..Hα-helixtrans-61.3-36.9176.7-75.162.9-133.900112.3G472 R478 T479 Y506G472-E475 PolarHBondContact O-N 2.78Å; E475-R478 PolarHBondContact O-N 2.91Å; E475-R478 IonicContact OE1-CZ 2.76Å; E475-R478 IonicContact OE1-NH1 3.8Å; E475-R478 PolarHBondContact OE1-NH1 2.79Å; E475-R478 IonicContact OE1-NH2 3.83Å; E475-T479 PolarHBondContact O-N 3.34Å; E475-T479 PolarHBondContact O-OG1 3.5Å; E475-Y506 PolarHBondContact OE2-OH 3.22Å
476Q96.7Very high94.9Very high56 Ų5655.2 Ų55.226%0.26228%0.281SS..Hα-helixtrans-58.7-52.5173.9-177.5178.417.500110.3G472 A473 V474 R478 T479 H480G472-Q476 WeakPolarHBondContact O-CB 3.47Å; G472-Q476 PolarHBondContact O-N 2.88Å; A473-Q476 WeakPolarHBondContact O-CB 3.33Å; A473-Q476 PolarHBondContact O-N 2.89Å; V474-Q476 VanDerWaalsContact C-N 3.28Å; V474-Q476 PolarHBondContact O-N 3.42Å; Q476-R478 VanDerWaalsContact C-N 3.34Å; Q476-R478 PolarHBondContact O-N 3Å; Q476-T479 WeakPolarHBondContact O-CB 3.48Å; Q476-T479 PolarHBondContact O-N 3.12Å; Q476-H480 PolarHBondContact O-CD2 2.92Å; Q476-H480 PolarHBondContact O-N 3.24Å; Q476-H480 VanDerWaalsContact O-N 3.1Å
477L97.7Very high94.6Very high1 Ų157.4 Ų57.41%0.00529%0.293CS..Hα-helixtrans-64.9-36.1177.8-66.4178.4000112.6I463 A465 A473 V474 T479 H480 Q481 L501 D532I463-L477 HydrophobicContact CG2-CD1 4.07Å; I463-L477 HydrophobicContact CG2-CD2 4.2Å; A465-L477 HydrophobicContact CB-CD1 3.72Å; A473-L477 PolarHBondContact O-N 3.44Å; V474-L477 PolarHBondContact O-N 2.83Å; L477-T479 VanDerWaalsContact C-N 3.28Å; L477-T479 PolarHBondContact O-N 2.91Å; L477-H480 WeakPolarHBondContact O-CB 3.45Å; L477-H480 PolarHBondContact O-N 3Å; L477-Q481 WeakPolarHBondContact O-CB 3.45Å; L477-Q481 PolarHBondContact O-N 3.19Å; L477-L501 HydrophobicContact CB-CD1 3.75Å; L477-L501 HydrophobicContact CB-CD2 4.48Å; L477-L501 HydrophobicContact CD1-CD1 4.32Å; L477-D532 HydrophobicContact CD1-CB 3.87Å
478R97.1Very high94.4Very high58 Ų5858 Ų5822%0.21930%0.296CS..Hα-helixtrans-61.6-38.3174.6-166.2-177.5-66.1131.4-2.1111.5V474 E475 Q476 Q481 R482 L501 E503V474-R478 WeakPolarHBondContact O-CB 3.45Å; V474-R478 PolarHBondContact O-N 2.89Å; E475-R478 PolarHBondContact O-N 2.91Å; E475-R478 IonicContact OE1-CZ 2.76Å; E475-R478 IonicContact OE1-NH1 3.8Å; E475-R478 PolarHBondContact OE1-NH1 2.79Å; E475-R478 IonicContact OE1-NH2 3.83Å; Q476-R478 VanDerWaalsContact C-N 3.34Å; Q476-R478 PolarHBondContact O-N 3Å; R478-Q481 PolarHBondContact O-N 3.4Å; R478-R482 WeakPolarHBondContact O-CG 3.32Å; R478-R482 PolarHBondContact O-N 3.24Å; R478-L501 HydrophobicContact CB-CD2 3.87Å; R478-L501 HydrophobicContact CG-CD2 4.34Å; R478-E503 IonicContact CZ-OE1 3.76Å; R478-E503 IonicContact NE-OE1 2.94Å; R478-E503 IonicContact NH2-OE1 3.37Å; R478-E503 PolarHBondContact NH2-OE1 3.45Å; R478-E503 IonicContact NH2-OE2 3.7Å; R478-E503 PolarHBondContact NH2-OE2 3.09Å
479T97.7Very high94.3Very high86 Ų8658.5 Ų58.553%0.52830%0.299SS..Hα-helixtrans-66-44175.2-56.60000111.2E475 Q476 L477 R482 R483E475-T479 PolarHBondContact O-N 3.34Å; E475-T479 PolarHBondContact O-OG1 3.5Å; Q476-T479 WeakPolarHBondContact O-CB 3.48Å; Q476-T479 PolarHBondContact O-N 3.12Å; L477-T479 VanDerWaalsContact C-N 3.28Å; L477-T479 PolarHBondContact O-N 2.91Å; T479-R482 PolarHBondContact O-N 2.83Å; T479-R483 PolarHBondContact O-N 3.31Å
480H97.7Very high94.2Very high26 Ų2652.3 Ų52.312%0.1228%0.275CS..Hα-helixtrans-60.2-46.1173.5-76.1-72.2000112.2A448 Q476 L477 R482 R483 L484 Y632A448-H480 HydrophobicContact CB-CB 3.88Å; A448-H480 VanDerWaalsContact CB-CG 3.5Å; A448-H480 WeakPolarHBondContact CB-ND1 3.28Å; Q476-H480 PolarHBondContact O-CD2 2.92Å; Q476-H480 PolarHBondContact O-N 3.24Å; Q476-H480 VanDerWaalsContact O-N 3.1Å; L477-H480 WeakPolarHBondContact O-CB 3.45Å; L477-H480 PolarHBondContact O-N 3Å; H480-R482 PolarHBondContact O-N 3.32Å; H480-R483 PolarHBondContact O-N 3.28Å; H480-L484 WeakPolarHBondContact O-CB 3.33Å; H480-L484 VanDerWaalsContact O-CG 3.28Å; H480-L484 WeakPolarHBondContact O-CG 3.42Å; H480-L484 PolarHBondContact O-N 2.82Å; H480-Y632 AromaticContact CE1-CE1 3.84Å; H480-Y632 AromaticContact ND1-CE1 3.37Å; H480-Y632 WeakPolarHBondContact ND1-CE1 3.46Å; H480-Y632 AromaticContact ND1-CZ 3.59Å; H480-Y632 PolarHBondContact ND1-OH 3.3Å
481Q96.4Very high94Very high39 Ų3954.5 Ų54.518%0.18229%0.29CS..Hα-helixtrans-59.9-43.7178.1175.8-99-65.200112.2L477 R478 L484 N485 V499 L501L477-Q481 WeakPolarHBondContact O-CB 3.45Å; L477-Q481 PolarHBondContact O-N 3.19Å; R478-Q481 PolarHBondContact O-N 3.4Å; Q481-L484 PolarHBondContact O-N 3.46Å; Q481-N485 PolarHBondContact NE2-ND2 2.98Å; Q481-N485 WeakPolarHBondContact O-CB 3.45Å; Q481-N485 PolarHBondContact O-N 2.83Å; Q481-V499 HydrophobicContact CB-CG1 4.46Å; Q481-V499 HydrophobicContact CG-CG1 4.16Å; Q481-L501 HydrophobicContact CB-CB 4.34Å; Q481-L501 HydrophobicContact CG-CB 4.16Å
482R95.8Very high93.7Very high159 Ų15957.3 Ų57.360%0.628%0.284SS*.Hα-helixtrans-61.9-45.1175.5-72.5174.3-174.9168.6-0.9111.8R478 T479 H480 N485 S486R478-R482 WeakPolarHBondContact O-CG 3.32Å; R478-R482 PolarHBondContact O-N 3.24Å; T479-R482 PolarHBondContact O-N 2.83Å; H480-R482 PolarHBondContact O-N 3.32Å; R482-N485 PolarHBondContact O-N 2.99Å; R482-S486 PolarHBondContact O-N 2.78Å
483R95.4Very high93.2Very high109 Ų10958.6 Ų58.641%0.41128%0.281SS..Hα-helixtrans-67.8-38.9179.9-169.9174-179.9179.42.5112.6T479 H480 S486 L487 Y632T479-R483 PolarHBondContact O-N 3.31Å; H480-R483 PolarHBondContact O-N 3.28Å; R483-S486 WeakPolarHBondContact CA-OG 3.5Å; R483-S486 PolarHBondContact O-N 2.97Å; R483-S486 PolarHBondContact O-OG 2.96Å; R483-L487 WeakPolarHBondContact O-CG 3.33Å; R483-L487 PolarHBondContact O-N 3.2Å; R483-L487 VanDerWaalsContact O-N 3.11Å; R483-Y632 HydrophobicContact CB-CE2 4.4Å; R483-Y632 WeakPolarHBondContact CD-OH 3.27Å; R483-Y632 HydrophobicContact CG-CE2 3.92Å
484L94.8Very high92.5Very high0 Ų062.1 Ų62.10%032%0.318CS..Hα-helixtrans-65.4-41.7175.1-70.2169.5000111.1Y452 I455 I463 H480 Q481 S486 L487 H488 V499 Y632Y452-L484 HydrophobicContact CD2-CD2 3.89Å; Y452-L484 HydrophobicContact CG-CD2 4.26Å; I455-L484 HydrophobicContact CD1-CB 4.46Å; I455-L484 HydrophobicContact CD1-CD2 4.32Å; I463-L484 HydrophobicContact CD1-CD1 4.49Å; H480-L484 WeakPolarHBondContact O-CB 3.33Å; H480-L484 VanDerWaalsContact O-CG 3.28Å; H480-L484 WeakPolarHBondContact O-CG 3.42Å; H480-L484 PolarHBondContact O-N 2.82Å; Q481-L484 PolarHBondContact O-N 3.46Å; L484-S486 VanDerWaalsContact C-N 3.33Å; L484-S486 PolarHBondContact O-N 2.94Å; L484-L487 PolarHBondContact O-N 3.41Å; L484-H488 WeakPolarHBondContact O-CB 3.43Å; L484-H488 PolarHBondContact O-N 3.44Å; L484-V499 HydrophobicContact CB-CB 4.42Å; L484-V499 HydrophobicContact CB-CG2 3.99Å; L484-V499 HydrophobicContact CD1-CG1 4.25Å; L484-V499 HydrophobicContact CD1-CG2 4.31Å; L484-Y632 HydrophobicContact CD2-CD2 3.95Å; L484-Y632 HydrophobicContact CD2-CE2 3.74Å; L484-Y632 HydrophobicContact CG-CE2 4.2Å
485N92.9Very high91.7Very high29 Ų2964.8 Ų64.816%0.15535%0.345CS..Hα-helixtrans-69.7-26.7175.3-75.2-15000113.2Q481 R482 H488 P489 V499Q481-N485 PolarHBondContact NE2-ND2 2.98Å; Q481-N485 WeakPolarHBondContact O-CB 3.45Å; Q481-N485 PolarHBondContact O-N 2.83Å; R482-N485 PolarHBondContact O-N 2.99Å; N485-H488 CarbonylContact O-C 3.22Å; N485-H488 VanDerWaalsContact O-C 3.22Å; N485-P489 WeakPolarHBondContact O-CA 3.33Å; N485-P489 VanDerWaalsContact O-N 3.12Å; N485-V499 PolarHBondContact ND2-O 3.48Å; N485-V499 WeakPolarHBondContact OD1-CB 3.2Å; N485-V499 PolarHBondContact OD1-N 2.97Å; N485-V499 PolarHBondContact OD1-O 3.47Å
486S92.6Very high90.8Very high86 Ų8669.7 Ų69.760%0.60136%0.361SS*.Hα-helixtrans-72-34.5172.266.10000112.3R482 R483 L484R482-S486 PolarHBondContact O-N 2.78Å; R483-S486 WeakPolarHBondContact CA-OG 3.5Å; R483-S486 PolarHBondContact O-N 2.97Å; R483-S486 PolarHBondContact O-OG 2.96Å; L484-S486 VanDerWaalsContact C-N 3.33Å; L484-S486 PolarHBondContact O-N 2.94Å
487L91.9Very high90.1Very high48 Ų4870.2 Ų70.225%0.25137%0.369SS..Hα-helixtrans-73.7-36.5174.3-65.9171.3000111.7V286 Y452 R483 L484 P489 Y632V286-L487 HydrophobicContact CG2-CD2 4.18Å; Y452-L487 HydrophobicContact CD2-CD1 4.36Å; Y452-L487 HydrophobicContact CE2-CD1 4.13Å; R483-L487 WeakPolarHBondContact O-CG 3.33Å; R483-L487 PolarHBondContact O-N 3.2Å; R483-L487 VanDerWaalsContact O-N 3.11Å; L484-L487 PolarHBondContact O-N 3.41Å; L487-P489 VanDerWaalsContact C-CD 3.47Å; L487-P489 WeakPolarHBondContact O-CD 3.31Å; L487-Y632 HydrophobicContact CD1-CD2 3.86Å; L487-Y632 HydrophobicContact CD1-CE2 4.01Å
488H91.4Very high89.7Confident15 Ų1570.9 Ų70.97%0.06937%0.373CS..SBendtrans-123.470.7-178.1-62.7-73.2000111.7Y452 I455 E456 L484 N485 H493 V498Y452-H488 AromaticContact CD2-NE2 3.46Å; Y452-H488 WeakPolarHBondContact CD2-NE2 3.4Å; Y452-H488 AromaticContact CE2-NE2 3.18Å; Y452-H488 WeakPolarHBondContact CE2-NE2 3.44Å; I455-H488 HydrophobicContact CG2-CB 3.88Å; I455-H488 VanDerWaalsContact CG2-CG 3.43Å; E456-H488 IonicContact OE1-CE1 2.84Å; E456-H488 PolarHBondContact OE1-CE1 2.93Å; E456-H488 IonicContact OE1-NE2 3.13Å; E456-H488 PolarHBondContact OE1-NE2 3.22Å; L484-H488 WeakPolarHBondContact O-CB 3.43Å; L484-H488 PolarHBondContact O-N 3.44Å; N485-H488 CarbonylContact O-C 3.22Å; N485-H488 VanDerWaalsContact O-C 3.22Å; H488-H493 WeakPolarHBondContact CB-NE2 3.43Å; H488-H493 AromaticContact CG-NE2 3.82Å; H488-H493 AromaticContact ND1-NE2 3.53Å; H488-V498 HydrophobicContact CB-CG2 3.64Å; H488-V498 WeakPolarHBondContact O-CG2 3.38Å
489P89.6Confident89.6Confident29 Ų2968.1 Ų68.119%0.18836%0.363CS..  trans-73.7151.9-174.936.6-41.3000110.8N485 L487 E491 K492 H493N485-P489 WeakPolarHBondContact O-CA 3.33Å; N485-P489 VanDerWaalsContact O-N 3.12Å; L487-P489 VanDerWaalsContact C-CD 3.47Å; L487-P489 WeakPolarHBondContact O-CD 3.31Å; P489-E491 VanDerWaalsContact CB-OE2 3.26Å; P489-E491 WeakPolarHBondContact CB-OE2 3.48Å; P489-E491 PolarHBondContact O-N 3.38Å; P489-K492 HydrophobicContact CG-CD 4.2Å; P489-K492 HydrophobicContact CG-CG 4.11Å; P489-K492 PolarHBondContact O-N 3.4Å; P489-H493 PolarHBondContact O-CD2 3.08Å
490P87.4Confident89.5Confident36 Ų3667 Ų6723%0.23435%0.351CS..G310 helixtrans-53.8-30.5-173.1-27.735.7000114.4K492 H493 G494 G495 R496P490-K492 PolarHBondContact O-N 2.91Å; P490-H493 CarbonylContact O-C 3.48Å; P490-H493 PolarHBondContact O-N 3.37Å; P490-G494 PolarHBondContact O-N 3.5Å; P490-G495 VanDerWaalsContact O-CA 3.31Å; P490-G495 WeakPolarHBondContact O-CA 3.45Å; P490-G495 PolarHBondContact O-N 2.89Å; P490-R496 WeakPolarHBondContact CA-O 3.49Å
491E87.7Confident89.6Confident154 Ų15466.7 Ų66.772%0.7235%0.35SS*.G310 helixtrans-61.8-29.7179.5-56.876.6-166.200112P489 H493P489-E491 VanDerWaalsContact CB-OE2 3.26Å; P489-E491 WeakPolarHBondContact CB-OE2 3.48Å; P489-E491 PolarHBondContact O-N 3.38Å; E491-H493 VanDerWaalsContact C-N 3.3Å
492K84.3Confident89.6Confident155 Ų15566.2 Ų66.267%0.67435%0.347SS*.G310 helixtrans-81.2-9.6174.9-65-171.3-171.4172.40113.3P489 P490P489-K492 HydrophobicContact CG-CD 4.2Å; P489-K492 HydrophobicContact CG-CG 4.11Å; P489-K492 PolarHBondContact O-N 3.4Å; P490-K492 PolarHBondContact O-N 2.91Å
493H84.4Confident89.6Confident62 Ų6261.7 Ų61.729%0.28733%0.333SS..THydrogen-bonded Turntrans-132.239.4-168.8-65.1-75.9000112.9H488 P489 P490 E491 G495 V498H488-H493 WeakPolarHBondContact CB-NE2 3.43Å; H488-H493 AromaticContact CG-NE2 3.82Å; H488-H493 AromaticContact ND1-NE2 3.53Å; P489-H493 PolarHBondContact O-CD2 3.08Å; P490-H493 CarbonylContact O-C 3.48Å; P490-H493 PolarHBondContact O-N 3.37Å; E491-H493 VanDerWaalsContact C-N 3.3Å; H493-G495 VanDerWaalsContact C-N 3.31Å; H493-G495 PolarHBondContact O-N 3.25Å; H493-V498 HydrophobicContact CB-CG1 3.45Å; H493-V498 VanDerWaalsContact CB-CG1 3.45Å
494G78.5Confident89.6Confident77 Ų7760.3 Ų60.379%0.79433%0.33SS*.THydrogen-bonded Turntrans70.124.9173.900000114.6P490P490-G494 PolarHBondContact O-N 3.5Å
495G79.6Confident89.2Confident57 Ų5761.4 Ų61.459%0.58834%0.341SS*.THydrogen-bonded Turntrans81.810.2173.700000115.2P490 H493P490-G495 VanDerWaalsContact O-CA 3.31Å; P490-G495 WeakPolarHBondContact O-CA 3.45Å; P490-G495 PolarHBondContact O-N 2.89Å; H493-G495 VanDerWaalsContact C-N 3.31Å; H493-G495 PolarHBondContact O-N 3.25Å
496R78.1Confident89.1Confident182 Ų18264.4 Ų64.469%0.68735%0.351SS*.SBendtrans-115144.3178.9-64.3-175.1-177.1-174.71.3111.8P490 V498P490-R496 WeakPolarHBondContact CA-O 3.49Å; R496-V498 PolarHBondContact O-N 3.4Å
497P80.3Confident88.8Confident67 Ų6763.9 Ų63.944%0.43536%0.359SS..  trans-62.3121.7170.5-17.930.7000110.4
498V89.8Confident88.6Confident14 Ų1466.6 Ų66.69%0.08537%0.369CS..SBendtrans-77.9-24.1176.1-74.80000112.9I455 S460 V461 H488 H493 R496I455-V498 HydrophobicContact CG2-CB 4.23Å; I455-V498 HydrophobicContact CG2-CG2 3.93Å; S460-V498 CarbonylContact C-O 3.5Å; S460-V498 WeakPolarHBondContact CA-O 3.3Å; V461-V498 PolarHBondContact N-O 2.84Å; H488-V498 HydrophobicContact CB-CG2 3.64Å; H488-V498 WeakPolarHBondContact O-CG2 3.38Å; H493-V498 HydrophobicContact CB-CG1 3.45Å; H493-V498 VanDerWaalsContact CB-CG1 3.45Å; R496-V498 PolarHBondContact O-N 3.4Å
499V95.1Very high88.7Confident1 Ų169.9 Ų69.91%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-124.9132.3174.3-172.30000111.1I455 V461 I463 Q481 L484 N485I455-V499 HydrophobicContact CD1-CG2 3.09Å; I455-V499 HydrophobicContact CG1-CG2 3.86Å; V461-V499 WeakPolarHBondContact O-CA 3.28Å; I463-V499 HydrophobicContact CD1-CG1 3.85Å; I463-V499 HydrophobicContact CG1-CG1 4.22Å; Q481-V499 HydrophobicContact CB-CG1 4.46Å; Q481-V499 HydrophobicContact CG-CG1 4.16Å; L484-V499 HydrophobicContact CB-CB 4.42Å; L484-V499 HydrophobicContact CB-CG2 3.99Å; L484-V499 HydrophobicContact CD1-CG1 4.25Å; L484-V499 HydrophobicContact CD1-CG2 4.31Å; N485-V499 PolarHBondContact ND2-O 3.48Å; N485-V499 WeakPolarHBondContact OD1-CB 3.2Å; N485-V499 PolarHBondContact OD1-N 2.97Å; N485-V499 PolarHBondContact OD1-O 3.47Å
500Q96.8Very high89Confident61 Ų6169.4 Ų69.429%0.28539%0.386SS..EExtended strand (participates in β ladder)trans-134.2147.8172.5-171.8174.1-13.700111.1V461 L462 I463 Y520 F526V461-Q500 PolarHBondContact O-N 3.25Å; L462-Q500 HydrophobicContact CD1-CB 3.86Å; L462-Q500 HydrophobicContact CD1-CG 4.15Å; I463-Q500 PolarHBondContact N-O 3.16Å; Q500-Y520 PolarHBondContact NE2-OH 3.08Å; Q500-F526 HydrophobicContact CB-CE1 4.12Å; Q500-F526 HydrophobicContact CB-CE2 4.31Å; Q500-F526 HydrophobicContact CB-CZ 3.57Å; Q500-F526 HydrophobicContact CG-CZ 4.5Å
501L97.9Very high89.4Confident20 Ų2067.9 Ų67.911%0.10538%0.376CS..EExtended strand (participates in β ladder)trans-98.5124.1173.8-175.767.6000109.4I463 A465 L477 R478 Q481 E503I463-L501 HydrophobicContact CB-CD1 4.02Å; I463-L501 HydrophobicContact CG2-CD1 3.76Å; A465-L501 HydrophobicContact CB-CD1 4.05Å; L477-L501 HydrophobicContact CB-CD1 3.75Å; L477-L501 HydrophobicContact CB-CD2 4.48Å; L477-L501 HydrophobicContact CD1-CD1 4.32Å; R478-L501 HydrophobicContact CB-CD2 3.87Å; R478-L501 HydrophobicContact CG-CD2 4.34Å; Q481-L501 HydrophobicContact CB-CB 4.34Å; Q481-L501 HydrophobicContact CG-CB 4.16Å; L501-E503 HydrophobicContact CD2-CG 4.39Å; L501-E503 HydrophobicContact CG-CB 4.41Å; L501-E503 HydrophobicContact CG-CG 4.5Å
502Y97.9Very high89.8Confident29 Ų2961.8 Ų61.811%0.11435%0.354CS..EExtended strand (participates in β ladder)trans-97117.3165.7-166.3-87.7000109.2I463 A465 K504 I513 E516 A517 Y520I463-Y502 PolarHBondContact O-N 2.84Å; A465-Y502 PolarHBondContact N-O 3Å; Y502-K504 HydrophobicContact CE1-CG 4.23Å; Y502-K504 WeakPolarHBondContact OH-CE 3.23Å; Y502-K504 PolarHBondContact OH-NZ 3.05Å; Y502-K504 VanDerWaalsContact OH-NZ 3.13Å; Y502-I513 HydrophobicContact CD1-CG2 4.05Å; Y502-I513 HydrophobicContact CE1-CG2 4.22Å; Y502-E516 HydrophobicContact CE1-CB 3.91Å; Y502-E516 WeakPolarHBondContact OH-CB 3.21Å; Y502-E516 PolarHBondContact OH-OE2 3.41Å; Y502-A517 HydrophobicContact CD1-CB 3.53Å; Y502-A517 HydrophobicContact CD2-CB 4.41Å; Y502-A517 HydrophobicContact CE1-CB 4.11Å; Y502-A517 HydrophobicContact CG-CB 3.71Å; Y502-Y520 AromaticContact CD2-CD1 3.91Å; Y502-Y520 HydrophobicContact CD2-CD1 3.91Å; Y502-Y520 HydrophobicContact CD2-CD2 4.46Å; Y502-Y520 AromaticContact CD2-CG 3.85Å; Y502-Y520 HydrophobicContact CD2-CG 3.85Å; Y502-Y520 HydrophobicContact CE2-CD1 4.37Å; Y502-Y520 HydrophobicContact CE2-CD2 4.16Å; Y502-Y520 AromaticContact CE2-CG 3.84Å; Y502-Y520 HydrophobicContact CE2-CG 3.84Å
503E95.8Very high90.5Very high65 Ų6554.6 Ų54.630%0.30432%0.323SS..  trans-140.9157.6-179.761.3146.8148.700111.7A465 V474 R478 L501A465-E503 HydrophobicContact CB-CB 4.08Å; V474-E503 HydrophobicContact CG1-CB 4.18Å; V474-E503 HydrophobicContact CG1-CG 4.43Å; V474-E503 WeakPolarHBondContact CG1-OE2 3.27Å; R478-E503 IonicContact CZ-OE1 3.76Å; R478-E503 IonicContact NE-OE1 2.94Å; R478-E503 IonicContact NH2-OE1 3.37Å; R478-E503 PolarHBondContact NH2-OE1 3.45Å; R478-E503 IonicContact NH2-OE2 3.7Å; R478-E503 PolarHBondContact NH2-OE2 3.09Å; L501-E503 HydrophobicContact CD2-CG 4.39Å; L501-E503 HydrophobicContact CG-CB 4.41Å; L501-E503 HydrophobicContact CG-CG 4.5Å
504K94.1Very high91.1Very high80 Ų8051.7 Ų51.735%0.34831%0.31SS..  trans-131.513.4174.4-66.2-74.4171.5140.50112.2Y502 K508 I513 E516Y502-K504 HydrophobicContact CE1-CG 4.23Å; Y502-K504 WeakPolarHBondContact OH-CE 3.23Å; Y502-K504 PolarHBondContact OH-NZ 3.05Å; Y502-K504 VanDerWaalsContact OH-NZ 3.13Å; K504-K508 HydrophobicContact CB-CD 3.52Å; K504-K508 WeakPolarHBondContact O-CD 3.5Å; K504-K508 WeakPolarHBondContact O-CE 3.25Å; K504-K508 PolarHBondContact O-NZ 3.11Å; K504-I513 HydrophobicContact CB-CD1 4.1Å; K504-I513 HydrophobicContact CB-CG1 4.13Å; K504-I513 HydrophobicContact CG-CG1 4.16Å; K504-E516 WeakPolarHBondContact CE-OE2 3.45Å; K504-E516 IonicContact NZ-OE2 3.54Å; K504-E516 PolarHBondContact NZ-OE2 2.83Å
505G88Confident92Very high23 Ų2352.8 Ų52.824%0.23730%0.295CS..  trans74.2-171.3-171.200000113.8
506Y90.5Very high92.9Very high91 Ų9154.3 Ų54.336%0.35729%0.287SS..SBendtrans-83.8160.9-173.3-62.3-73.8000113.8R470 G472 A473 V474 E475 K508R470-Y506 VanDerWaalsContact O-CE1 3.22Å; R470-Y506 WeakPolarHBondContact O-CE1 3.44Å; G472-Y506 VanDerWaalsContact CA-OH 3.29Å; G472-Y506 WeakPolarHBondContact CA-OH 3.31Å; G472-Y506 PolarHBondContact N-OH 3.01Å; A473-Y506 PolarHBondContact N-OH 3.29Å; V474-Y506 HydrophobicContact CB-CE1 4.39Å; V474-Y506 HydrophobicContact CB-CE2 4.47Å; V474-Y506 HydrophobicContact CG2-CD1 4.46Å; V474-Y506 HydrophobicContact CG2-CE1 3.86Å; V474-Y506 HydrophobicContact CG2-CE2 4.44Å; V474-Y506 PolarHBondContact N-OH 3.22Å; V474-Y506 VanDerWaalsContact N-OH 3.17Å; E475-Y506 PolarHBondContact OE2-OH 3.22Å; Y506-K508 VanDerWaalsContact C-N 3.32Å; Y506-K508 PolarHBondContact O-N 3.25Å
507G85.7Confident93.9Very high75 Ų7545.6 Ų45.677%0.77325%0.254SS*.SBendtrans75.610.1172.200000116.3T468T468-G507 PolarHBondContact O-N 3.19Å
508K88.8Confident94.7Very high106 Ų10644 Ų4446%0.46124%0.241SC..SBendtrans-99.4159.7-179.9-72.1-178.1-178.4175.60112.8T468 K504 Y506 A510 I513T468-K508 HydrophobicContact CG2-CB 4.48Å; T468-K508 PolarHBondContact OG1-O 3Å; K504-K508 HydrophobicContact CB-CD 3.52Å; K504-K508 WeakPolarHBondContact O-CD 3.5Å; K504-K508 WeakPolarHBondContact O-CE 3.25Å; K504-K508 PolarHBondContact O-NZ 3.11Å; Y506-K508 VanDerWaalsContact C-N 3.32Å; Y506-K508 PolarHBondContact O-N 3.25Å; K508-A510 PolarHBondContact O-N 3.19Å; K508-I513 HydrophobicContact CB-CD1 3.92Å; K508-I513 HydrophobicContact CB-CG1 4.48Å
509D93.2Very high95.1Very high84 Ų8445.6 Ų45.645%0.44926%0.257SS..  trans-65.8114.1177-1759.2000110.7A511 G512 I513 K549D509-A511 VanDerWaalsContact C-N 3.25Å; D509-A511 PolarHBondContact O-N 3.08Å; D509-A511 PolarHBondContact OD1-N 3.47Å; D509-A511 VanDerWaalsContact OD1-N 3.12Å; D509-G512 PolarHBondContact O-N 3.03Å; D509-I513 WeakPolarHBondContact O-CG1 3.25Å; D509-I513 PolarHBondContact O-N 3.46Å; D509-I513 VanDerWaalsContact O-N 3.11Å; D509-K549 IonicContact OD2-NZ 2.8Å; D509-K549 PolarHBondContact OD2-NZ 2.82Å
510A95.3Very high95.3Very high19 Ų1948.7 Ų48.716%0.15727%0.269CS..Hα-helixtrans-58.5-36.3179.200000112.4C466 K508 G512 I513 A514 L550C466-A510 HydrophobicContact CB-CB 4.04Å; C466-A510 WeakPolarHBondContact O-CB 3.2Å; K508-A510 PolarHBondContact O-N 3.19Å; A510-G512 VanDerWaalsContact C-N 3.33Å; A510-G512 PolarHBondContact O-N 3.14Å; A510-I513 PolarHBondContact O-N 2.93Å; A510-A514 PolarHBondContact O-N 3Å; A510-L550 HydrophobicContact CB-CD1 3.82Å
511A96Very high95.3Very high4 Ų445.8 Ų45.83%0.03326%0.255CS..Hα-helixtrans-65.9-37.9179.600000112D509 M515 L550 N554D509-A511 VanDerWaalsContact C-N 3.25Å; D509-A511 PolarHBondContact O-N 3.08Å; D509-A511 PolarHBondContact OD1-N 3.47Å; D509-A511 VanDerWaalsContact OD1-N 3.12Å; A511-M515 PolarHBondContact O-N 2.93Å; A511-M515 VanDerWaalsContact O-N 3.16Å; A511-L550 HydrophobicContact CB-CB 4.05Å; A511-L550 HydrophobicContact CB-CG 4.46Å; A511-N554 PolarHBondContact O-ND2 3.13Å; A511-N554 VanDerWaalsContact O-ND2 3.13Å
512G96.8Very high95.2Very high25 Ų2552.8 Ų52.826%0.25828%0.28SS..Hα-helixtrans-70.1-41.6175.900000112.6D509 A510 A514 M515 E516D509-G512 PolarHBondContact O-N 3.03Å; A510-G512 VanDerWaalsContact C-N 3.33Å; A510-G512 PolarHBondContact O-N 3.14Å; G512-A514 VanDerWaalsContact C-N 3.34Å; G512-A514 PolarHBondContact O-N 3.39Å; G512-M515 PolarHBondContact O-N 3.48Å; G512-E516 WeakPolarHBondContact O-CG 3.36Å; G512-E516 PolarHBondContact O-N 3.18Å
513I97.4Very high95.1Very high5 Ų557.5 Ų57.53%0.02631%0.307CS..Hα-helixtrans-60.6-45.2175.9-63.9172.3000110.8T468 Y502 K504 K508 D509 A510 M515 E516 A517T468-I513 HydrophobicContact CG2-CD1 3.38Å; Y502-I513 HydrophobicContact CD1-CG2 4.05Å; Y502-I513 HydrophobicContact CE1-CG2 4.22Å; K504-I513 HydrophobicContact CB-CD1 4.1Å; K504-I513 HydrophobicContact CB-CG1 4.13Å; K504-I513 HydrophobicContact CG-CG1 4.16Å; K508-I513 HydrophobicContact CB-CD1 3.92Å; K508-I513 HydrophobicContact CB-CG1 4.48Å; D509-I513 WeakPolarHBondContact O-CG1 3.25Å; D509-I513 PolarHBondContact O-N 3.46Å; D509-I513 VanDerWaalsContact O-N 3.11Å; A510-I513 PolarHBondContact O-N 2.93Å; I513-M515 VanDerWaalsContact C-N 3.34Å; I513-M515 PolarHBondContact O-N 2.99Å; I513-E516 PolarHBondContact O-N 3.29Å; I513-A517 VanDerWaalsContact O-CB 3.3Å; I513-A517 WeakPolarHBondContact O-CB 3.24Å; I513-A517 PolarHBondContact O-N 2.78Å
514A98.1Very high95Very high0 Ų059.3 Ų59.30%032%0.316CS..Hα-helixtrans-59.6-44.7176.800000111.6A510 G512 E516 A517 I518 V531 L550A510-A514 PolarHBondContact O-N 3Å; G512-A514 VanDerWaalsContact C-N 3.34Å; G512-A514 PolarHBondContact O-N 3.39Å; A514-E516 PolarHBondContact O-N 3.12Å; A514-A517 PolarHBondContact O-N 2.64Å; A514-I518 WeakPolarHBondContact O-CD1 3.42Å; A514-I518 VanDerWaalsContact O-CG1 3.23Å; A514-I518 WeakPolarHBondContact O-CG1 3.14Å; A514-I518 PolarHBondContact O-N 2.85Å; A514-V531 HydrophobicContact CB-CG1 4.13Å; A514-L550 HydrophobicContact CB-CD1 4.48Å; A514-L550 HydrophobicContact CB-CG 4.38Å
515M97.8Very high95Very high100 Ų10058.7 Ų58.749%0.49333%0.326SS..Hα-helixtrans-60.2-48.1178.7-175.6-174.1-67.500111.8A511 G512 I513 A517 I518 A519 V553 N554A511-M515 PolarHBondContact O-N 2.93Å; A511-M515 VanDerWaalsContact O-N 3.16Å; G512-M515 PolarHBondContact O-N 3.48Å; I513-M515 VanDerWaalsContact C-N 3.34Å; I513-M515 PolarHBondContact O-N 2.99Å; M515-A517 VanDerWaalsContact C-N 3.34Å; M515-A517 PolarHBondContact O-N 3.47Å; M515-I518 PolarHBondContact O-N 2.97Å; M515-A519 PolarHBondContact O-N 3.48Å; M515-A519 VanDerWaalsContact O-N 3.08Å; M515-V553 HydrophobicContact CE-CG1 3.22Å; M515-N554 WeakPolarHBondContact CA-OD1 3.2Å; M515-N554 VanDerWaalsContact CB-OD1 3.29Å; M515-N554 WeakPolarHBondContact CB-OD1 3.43Å; M515-N554 PolarHBondContact N-OD1 2.74Å
516E98.1Very high95.4Very high89 Ų8958.4 Ų58.442%0.41632%0.318SS..Hα-helixtrans-65.7-37.7178.1-65.1178.8-168.300111.9Y502 K504 G512 I513 A514 A519 Y520Y502-E516 HydrophobicContact CE1-CB 3.91Å; Y502-E516 WeakPolarHBondContact OH-CB 3.21Å; Y502-E516 PolarHBondContact OH-OE2 3.41Å; K504-E516 WeakPolarHBondContact CE-OE2 3.45Å; K504-E516 IonicContact NZ-OE2 3.54Å; K504-E516 PolarHBondContact NZ-OE2 2.83Å; G512-E516 WeakPolarHBondContact O-CG 3.36Å; G512-E516 PolarHBondContact O-N 3.18Å; I513-E516 PolarHBondContact O-N 3.29Å; A514-E516 PolarHBondContact O-N 3.12Å; E516-A519 PolarHBondContact O-N 2.8Å; E516-Y520 VanDerWaalsContact O-CB 3.28Å; E516-Y520 WeakPolarHBondContact O-CB 3.43Å; E516-Y520 PolarHBondContact O-N 2.93Å
517A98.3Very high95.7Very high0 Ų055.6 Ų55.60%031%0.309CS..Hα-helixtrans-63.8-42.1177.100000111.8L462 A464 Y502 I513 A514 M515 Y520 A521L462-A517 HydrophobicContact CD2-CB 4.25Å; L462-A517 WeakPolarHBondContact CD2-O 3.42Å; A464-A517 HydrophobicContact CB-CB 3.56Å; Y502-A517 HydrophobicContact CD1-CB 3.53Å; Y502-A517 HydrophobicContact CD2-CB 4.41Å; Y502-A517 HydrophobicContact CE1-CB 4.11Å; Y502-A517 HydrophobicContact CG-CB 3.71Å; I513-A517 VanDerWaalsContact O-CB 3.3Å; I513-A517 WeakPolarHBondContact O-CB 3.24Å; I513-A517 PolarHBondContact O-N 2.78Å; A514-A517 PolarHBondContact O-N 2.64Å; M515-A517 VanDerWaalsContact C-N 3.34Å; M515-A517 PolarHBondContact O-N 3.47Å; A517-Y520 PolarHBondContact O-N 2.96Å; A517-A521 WeakPolarHBondContact O-CB 3.48Å; A517-A521 PolarHBondContact O-N 3.35Å
518I98.3Very high96.3Very high32 Ų3252 Ų5216%0.16427%0.272CS..Hα-helixtrans-63.8-43.8176.3-65.9162.5000110.5P430 V432 A514 M515 A521 R522 V529 N554P430-I518 HydrophobicContact CG-CG2 4.27Å; V432-I518 HydrophobicContact CG1-CD1 3.87Å; V432-I518 HydrophobicContact CG1-CG1 4.11Å; V432-I518 HydrophobicContact CG2-CD1 4.1Å; V432-I518 HydrophobicContact CG2-CG1 3.89Å; V432-I518 HydrophobicContact CG2-CG2 4.18Å; A514-I518 WeakPolarHBondContact O-CD1 3.42Å; A514-I518 VanDerWaalsContact O-CG1 3.23Å; A514-I518 WeakPolarHBondContact O-CG1 3.14Å; A514-I518 PolarHBondContact O-N 2.85Å; M515-I518 PolarHBondContact O-N 2.97Å; I518-A521 PolarHBondContact O-N 2.57Å; I518-R522 PolarHBondContact O-N 3.41Å; I518-V529 HydrophobicContact CG1-CG1 4.25Å; I518-N554 HydrophobicContact CD1-CB 3.91Å
519A97.9Very high96.8Very high49 Ų4947 Ų4741%0.40525%0.25SC..Hα-helixtrans-63.4-41.6175.300000111.9M515 E516 R522 N523M515-A519 PolarHBondContact O-N 3.48Å; M515-A519 VanDerWaalsContact O-N 3.08Å; E516-A519 PolarHBondContact O-N 2.8Å; A519-R522 PolarHBondContact O-N 2.94Å; A519-N523 VanDerWaalsContact O-CG 3.27Å; A519-N523 PolarHBondContact O-N 3.5Å; A519-N523 VanDerWaalsContact O-N 3.09Å; A519-N523 PolarHBondContact O-ND2 3.45Å
520Y97.9Very high97.1Very high66 Ų6643 Ų4326%0.25923%0.229SC..Hα-helixtrans-61.8-47.6175.7-177.6-95.4000111.7L462 Q500 Y502 E516 A517 R522 N523 Q524 F526L462-Y520 HydrophobicContact CD1-CD1 4.04Å; L462-Y520 HydrophobicContact CD1-CE1 4.1Å; L462-Y520 HydrophobicContact CD2-CD1 3.83Å; Q500-Y520 PolarHBondContact NE2-OH 3.08Å; Y502-Y520 AromaticContact CD2-CD1 3.91Å; Y502-Y520 HydrophobicContact CD2-CD1 3.91Å; Y502-Y520 HydrophobicContact CD2-CD2 4.46Å; Y502-Y520 AromaticContact CD2-CG 3.85Å; Y502-Y520 HydrophobicContact CD2-CG 3.85Å; Y502-Y520 HydrophobicContact CE2-CD1 4.37Å; Y502-Y520 HydrophobicContact CE2-CD2 4.16Å; Y502-Y520 AromaticContact CE2-CG 3.84Å; Y502-Y520 HydrophobicContact CE2-CG 3.84Å; E516-Y520 VanDerWaalsContact O-CB 3.28Å; E516-Y520 WeakPolarHBondContact O-CB 3.43Å; E516-Y520 PolarHBondContact O-N 2.93Å; A517-Y520 PolarHBondContact O-N 2.96Å; Y520-R522 VanDerWaalsContact C-N 3.31Å; Y520-R522 PolarHBondContact O-N 3.27Å; Y520-N523 PolarHBondContact O-N 3.05Å; Y520-N523 VanDerWaalsContact O-N 3.15Å; Y520-Q524 HydrophobicContact CD1-CG 4.15Å; Y520-Q524 HydrophobicContact CD2-CG 4.22Å; Y520-Q524 HydrophobicContact CE1-CB 4.41Å; Y520-Q524 HydrophobicContact CE1-CG 3.73Å; Y520-Q524 HydrophobicContact CE2-CG 3.79Å; Y520-Q524 HydrophobicContact CG-CG 4.38Å; Y520-Q524 WeakPolarHBondContact O-CB 3.15Å; Y520-Q524 WeakPolarHBondContact O-CG 3.35Å; Y520-Q524 PolarHBondContact O-N 2.75Å; Y520-F526 HydrophobicContact CE1-CE2 4.22Å
521A97.4Very high97.2Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-56.8-44.5176.200000112.1P430 L462 A517 I518 N523 Q524 A525 F526 V529P430-A521 HydrophobicContact CB-CB 4.12Å; P430-A521 HydrophobicContact CG-CB 4.09Å; L462-A521 HydrophobicContact CB-CB 4.4Å; L462-A521 HydrophobicContact CD2-CB 3.71Å; A517-A521 WeakPolarHBondContact O-CB 3.48Å; A517-A521 PolarHBondContact O-N 3.35Å; I518-A521 PolarHBondContact O-N 2.57Å; A521-N523 VanDerWaalsContact C-N 3.34Å; A521-N523 PolarHBondContact O-N 2.81Å; A521-Q524 PolarHBondContact O-N 3.31Å; A521-A525 WeakPolarHBondContact O-CA 3.37Å; A521-A525 PolarHBondContact O-N 3.22Å; A521-F526 HydrophobicContact CB-CB 4Å; A521-F526 PolarHBondContact O-N 2.98Å; A521-V529 HydrophobicContact CB-CG2 3.25Å
522R96.3Very high97.4Very high167 Ų16741.9 Ų41.963%0.6322%0.22SC*.Hα-helixtrans-60.8-42.6176.6-171.9179.8-174.2-178.70.4112.3I518 A519 Y520I518-R522 PolarHBondContact O-N 3.41Å; A519-R522 PolarHBondContact O-N 2.94Å; Y520-R522 VanDerWaalsContact C-N 3.31Å; Y520-R522 PolarHBondContact O-N 3.27Å
523N95.8Very high97.4Very high127 Ų12740.7 Ų40.768%0.67921%0.208SC*.Hα-helixtrans-73.8-33.8-178.5-68.5-24.2000112.9A519 Y520 A521 A525A519-N523 VanDerWaalsContact O-CG 3.27Å; A519-N523 PolarHBondContact O-N 3.5Å; A519-N523 VanDerWaalsContact O-N 3.09Å; A519-N523 PolarHBondContact O-ND2 3.45Å; Y520-N523 PolarHBondContact O-N 3.05Å; Y520-N523 VanDerWaalsContact O-N 3.15Å; A521-N523 VanDerWaalsContact C-N 3.34Å; A521-N523 PolarHBondContact O-N 2.81Å; N523-A525 VanDerWaalsContact C-N 3.35Å
524Q94.3Very high97.3Very high104 Ų10441 Ų4149%0.48621%0.211SC..Hα-helixtrans-910.7177.6-60.3-55.1-47.100113.2Y520 A521 F526Y520-Q524 HydrophobicContact CD1-CG 4.15Å; Y520-Q524 HydrophobicContact CD2-CG 4.22Å; Y520-Q524 HydrophobicContact CE1-CB 4.41Å; Y520-Q524 HydrophobicContact CE1-CG 3.73Å; Y520-Q524 HydrophobicContact CE2-CG 3.79Å; Y520-Q524 HydrophobicContact CG-CG 4.38Å; Y520-Q524 WeakPolarHBondContact O-CB 3.15Å; Y520-Q524 WeakPolarHBondContact O-CG 3.35Å; Y520-Q524 PolarHBondContact O-N 2.75Å; A521-Q524 PolarHBondContact O-N 3.31Å; Q524-F526 HydrophobicContact CB-CD2 3.82Å; Q524-F526 HydrophobicContact CB-CE2 3.85Å
525A93.5Very high97.1Very high67 Ų6741.7 Ų41.755%0.55422%0.217SC*.THydrogen-bonded Turntrans56.345.7-178.400000113.9A521 N523A521-A525 WeakPolarHBondContact O-CA 3.37Å; A521-A525 PolarHBondContact O-N 3.22Å; N523-A525 VanDerWaalsContact C-N 3.35Å
526F96.7Very high96.9Very high16 Ų1637.5 Ų37.57%0.0720%0.196CC..  trans-76.2140.2164-77.2-82.8000110.3S460 L462 Q500 Y520 A521 Q524S460-F526 WeakPolarHBondContact OG-CA 3.37Å; L462-F526 HydrophobicContact CB-CB 4.17Å; L462-F526 HydrophobicContact CB-CD1 4.26Å; L462-F526 HydrophobicContact CB-CD2 4.23Å; L462-F526 HydrophobicContact CB-CG 3.96Å; L462-F526 HydrophobicContact CD1-CD2 4.32Å; L462-F526 HydrophobicContact CD1-CE2 4.17Å; L462-F526 HydrophobicContact CD1-CZ 4.49Å; Q500-F526 HydrophobicContact CB-CE1 4.12Å; Q500-F526 HydrophobicContact CB-CE2 4.31Å; Q500-F526 HydrophobicContact CB-CZ 3.57Å; Q500-F526 HydrophobicContact CG-CZ 4.5Å; Y520-F526 HydrophobicContact CE1-CE2 4.22Å; A521-F526 HydrophobicContact CB-CB 4Å; A521-F526 PolarHBondContact O-N 2.98Å; Q524-F526 HydrophobicContact CB-CD2 3.82Å; Q524-F526 HydrophobicContact CB-CE2 3.85Å
527D97.1Very high96.6Very high32 Ų3237.9 Ų37.917%0.17120%0.199CC..SBendtrans-77.9-39.4-175.9-54.4-52.6000111.9V421 Q425 P430 F431 F459 S460V421-D527 HydrophobicContact CG1-CB 4.4Å; Q425-D527 HydrophobicContact CG-CB 4.4Å; Q425-D527 PolarHBondContact NE2-OD1 3.36Å; P430-D527 CarbonylContact C-O 3.44Å; P430-D527 WeakPolarHBondContact CA-O 3.36Å; F431-D527 PolarHBondContact N-O 2.94Å; F459-D527 HydrophobicContact CB-CB 4.27Å; F459-D527 HydrophobicContact CD1-CB 4.07Å; S460-D527 WeakPolarHBondContact CB-OD2 3.4Å; S460-D527 PolarHBondContact N-OD2 3.47Å; S460-D527 PolarHBondContact O-N 3.26Å; S460-D527 PolarHBondContact OG-N 2.97Å; S460-D527 PolarHBondContact OG-OD2 2.94Å
528V98.4Very high96.2Very high0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-128.8139.8-175.2-171.60000111.1V421 F431 I433 L454 F459 S460 V461 L462 L530V421-V528 HydrophobicContact CB-CG2 4.48Å; V421-V528 HydrophobicContact CG1-CG2 3.73Å; V421-V528 HydrophobicContact CG2-CG2 3.79Å; F431-V528 CarbonylContact O-C 3.46Å; F431-V528 WeakPolarHBondContact O-CA 3.38Å; F431-V528 WeakPolarHBondContact O-CG1 3.47Å; I433-V528 HydrophobicContact CD1-CG1 4.37Å; L454-V528 HydrophobicContact CD1-CB 4.24Å; L454-V528 HydrophobicContact CD1-CG1 3.84Å; L454-V528 HydrophobicContact CD1-CG2 4.23Å; L454-V528 HydrophobicContact CD2-CG2 4.4Å; F459-V528 HydrophobicContact CB-CG2 4.33Å; S460-V528 PolarHBondContact O-N 3.25Å; V461-V528 WeakPolarHBondContact CA-O 3.21Å; V461-V528 HydrophobicContact CG2-CB 4.43Å; L462-V528 PolarHBondContact N-O 3.43Å; V528-L530 HydrophobicContact CG1-CD2 3.57Å; V528-L530 HydrophobicContact CG1-CG 4.23Å
529V98.8Very high95.8Very high0 Ų042.3 Ų42.30%022%0.223CC..EExtended strand (participates in β ladder)trans-113.6120.7168.4-179.70000109.1P430 F431 V432 I433 L462 A464 I518 A521 V531P430-V529 HydrophobicContact CB-CG2 3.88Å; P430-V529 HydrophobicContact CG-CG2 4.24Å; F431-V529 PolarHBondContact O-N 3.35Å; V432-V529 WeakPolarHBondContact CA-O 3.32Å; V432-V529 HydrophobicContact CG1-CB 4.45Å; V432-V529 HydrophobicContact CG2-CB 4.31Å; I433-V529 PolarHBondContact N-O 3.13Å; L462-V529 HydrophobicContact CB-CG2 4.34Å; L462-V529 HydrophobicContact CD2-CG2 4.43Å; L462-V529 CarbonylContact O-C 3.26Å; L462-V529 WeakPolarHBondContact O-CA 3.34Å; A464-V529 HydrophobicContact CB-CG1 4.25Å; I518-V529 HydrophobicContact CG1-CG1 4.25Å; A521-V529 HydrophobicContact CB-CG2 3.25Å; V529-V531 HydrophobicContact CG1-CG2 4.05Å
530L98.8Very high95.6Very high0 Ų042.9 Ų42.90%022%0.219CC..EExtended strand (participates in β ladder)trans-105.2113.2174.3-55.2-174.6000109.8I433 F435 L447 I450 S451 L454 V461 L462 A464 V528I433-L530 HydrophobicContact CB-CD2 3.79Å; I433-L530 HydrophobicContact CD1-CD2 3.78Å; I433-L530 HydrophobicContact CG1-CD2 4.01Å; F435-L530 HydrophobicContact CE2-CB 4.06Å; F435-L530 HydrophobicContact CE2-CD2 4.03Å; F435-L530 HydrophobicContact CE2-CG 4.42Å; L447-L530 HydrophobicContact CD1-CB 3.98Å; L447-L530 HydrophobicContact CD2-CB 3.96Å; L447-L530 HydrophobicContact CD2-CD1 3.93Å; L447-L530 HydrophobicContact CG-CB 3.85Å; L447-L530 HydrophobicContact CG-CD1 4.01Å; I450-L530 HydrophobicContact CG2-CD1 4.42Å; S451-L530 WeakPolarHBondContact OG-CD1 3.45Å; L454-L530 HydrophobicContact CD1-CD1 4.32Å; L454-L530 HydrophobicContact CD1-CD2 4.13Å; V461-L530 HydrophobicContact CG1-CD1 3.73Å; V461-L530 HydrophobicContact CG1-CG 3.75Å; L462-L530 PolarHBondContact O-N 3.35Å; A464-L530 PolarHBondContact N-O 3.48Å; V528-L530 HydrophobicContact CG1-CD2 3.57Å; V528-L530 HydrophobicContact CG1-CG 4.23Å
531V98.7Very high95.2Very high0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-94.1108.7-177.9-175.30000109.8V432 I433 T434 F435 A464 C466 A514 V529 T533 L550V432-V531 HydrophobicContact CG1-CG2 4.11Å; I433-V531 PolarHBondContact O-N 3.1Å; T434-V531 HydrophobicContact CG2-CB 4.49Å; F435-V531 PolarHBondContact N-O 2.92Å; A464-V531 HydrophobicContact CB-CG2 4.27Å; C466-V531 HydrophobicContact CB-CG1 4.11Å; A514-V531 HydrophobicContact CB-CG1 4.13Å; V529-V531 HydrophobicContact CG1-CG2 4.05Å; V531-T533 HydrophobicContact CG1-CG2 4.23Å; V531-L550 HydrophobicContact CG1-CD2 4.41Å
532D98.3Very high94.9Very high0 Ų047.2 Ų47.20%026%0.26CS..EExtended strand (participates in β ladder)trans-85.4119.4173.1-163.820.8000110S444 L447 A464 C466 D467 L477S444-D532 VanDerWaalsContact CB-OD2 3.28Å; S444-D532 WeakPolarHBondContact CB-OD2 3.1Å; S444-D532 PolarHBondContact OG-OD2 2.82Å; L447-D532 HydrophobicContact CD1-CB 3.61Å; A464-D532 PolarHBondContact O-N 3.22Å; C466-D532 CarbonylContact C-O 3.58Å; C466-D532 VanDerWaalsContact C-O 3.22Å; C466-D532 WeakPolarHBondContact CA-O 3.48Å; C466-D532 WeakPolarHBondContact CB-O 3.5Å; C466-D532 PolarHBondContact N-O 2.99Å; D467-D532 PolarHBondContact N-O 3.43Å; D467-D532 VanDerWaalsContact N-O 3.16Å; L477-D532 HydrophobicContact CD1-CB 3.87Å
533T97.4Very high94.6Very high1 Ų142.1 Ų42.11%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-104.9150.5178.773.40000111.8T434 F435 K443 V531 G535 L547 L550T434-T533 HydrophobicContact CG2-CG2 3.92Å; F435-T533 WeakPolarHBondContact O-CB 2.97Å; F435-T533 WeakPolarHBondContact O-CG2 3.31Å; F435-T533 PolarHBondContact O-N 3.21Å; F435-T533 PolarHBondContact O-OG1 3.44Å; K443-T533 WeakPolarHBondContact CE-O 3.24Å; V531-T533 HydrophobicContact CG1-CG2 4.23Å; T533-G535 PolarHBondContact O-N 2.9Å; T533-L547 HydrophobicContact CG2-CD1 4.25Å; T533-L550 HydrophobicContact CG2-CD1 4.17Å; T533-L550 HydrophobicContact CG2-CD2 4.47Å
534A95.3Very high94.6Very high12 Ų1236.2 Ų36.210%0.09921%0.214CC..  trans-56.8140170.900000111.1D467 F469 R536D467-A534 HydrophobicContact CB-CB 4.24Å; D467-A534 VanDerWaalsContact OD1-CB 3.3Å; D467-A534 WeakPolarHBondContact OD1-CB 3.47Å; F469-A534 HydrophobicContact CB-CB 4.39Å; A534-R536 PolarHBondContact O-NE 3.03Å; A534-R536 PolarHBondContact O-NH2 3.02Å
535G94.1Very high94.5Very high13 Ų1334 Ų3413%0.13421%0.207CC..  trans-64.2147.1169.500000111.7G437 N439 T533G437-G535 WeakPolarHBondContact O-CA 3.3Å; N439-G535 WeakPolarHBondContact OD1-CA 3.31Å; N439-G535 PolarHBondContact OD1-O 3.11Å; T533-G535 PolarHBondContact O-N 2.9Å
536R93.5Very high94.4Very high13 Ų1332.9 Ų32.95%0.04920%0.198CC..  trans-151.4143.7179.862.8-159.674.9-151.81110.7V438 N439 A534 L543 M544 F578V438-R536 WeakPolarHBondContact CA-O 3.42Å; N439-R536 PolarHBondContact OD1-N 3.23Å; A534-R536 PolarHBondContact O-NE 3.03Å; A534-R536 PolarHBondContact O-NH2 3.02Å; R536-L543 HydrophobicContact CB-CB 3.87Å; R536-L543 HydrophobicContact CB-CD1 3.92Å; R536-L543 PolarHBondContact NH1-O 2.8Å; R536-M544 HydrophobicContact CG-SD 3.65Å; R536-F578 HydrophobicContact CG-CE1 4.37Å; R536-F578 HydrophobicContact CG-CZ 3.88Å
537M92.5Very high94.4Very high97 Ų9732.1 Ų32.148%0.47819%0.194SC..  trans-72.5144.9171.4-62.4-53.3-177.600109.6V438 N439 D539 N540V438-M537 HydrophobicContact CB-SD 4.49Å; N439-M537 HydrophobicContact CB-CE 4.36Å; M537-D539 PolarHBondContact O-N 2.77Å; M537-N540 WeakPolarHBondContact O-CB 3.42Å; M537-N540 PolarHBondContact O-N 3.19Å; M537-N540 VanDerWaalsContact O-N 3.09Å
538Q90.4Very high94.3Very high16 Ų1630.7 Ų30.78%0.07519%0.187CC..THydrogen-bonded Turntrans-62.6-24-176.167.1-81.912.900113.6D573 Q574 K577 F578Q538-D573 WeakPolarHBondContact CG-OD2 3.44Å; Q538-D573 PolarHBondContact NE2-OD2 3.25Å; Q538-Q574 HydrophobicContact CG-CG 4.42Å; Q538-K577 HydrophobicContact CB-CB 3.78Å; Q538-K577 HydrophobicContact CB-CD 4.01Å; Q538-K577 HydrophobicContact CG-CB 4.16Å; Q538-K577 HydrophobicContact CG-CD 3.49Å; Q538-K577 VanDerWaalsContact CG-CD 3.49Å; Q538-K577 HydrophobicContact CG-CG 4.47Å; Q538-F578 HydrophobicContact CB-CD2 3.94Å; Q538-F578 HydrophobicContact CB-CE2 3.94Å
539D89.3Confident94.1Very high108 Ų10835.5 Ų35.558%0.57821%0.208SC*.THydrogen-bonded Turntrans-89.7-4.3178.4-64.9-35.2000114.3M537 A541 K577M537-D539 PolarHBondContact O-N 2.77Å; D539-A541 PolarHBondContact O-N 2.82Å; D539-K577 VanDerWaalsContact OD1-CD 3.24Å; D539-K577 WeakPolarHBondContact OD1-CD 3.48Å; D539-K577 WeakPolarHBondContact OD1-CE 3.16Å; D539-K577 IonicContact OD1-NZ 3.91Å; D539-K577 PolarHBondContact OD1-NZ 3.05Å; D539-K577 IonicContact OD2-NZ 3.19Å; D539-K577 PolarHBondContact OD2-NZ 2.96Å
540N92.3Very high93.9Very high62 Ų6235.6 Ų35.633%0.33221%0.209SC..  trans-83.786.8-177.9-168.8-43.4000110.5M537 P542 L543 M544M537-N540 WeakPolarHBondContact O-CB 3.42Å; M537-N540 PolarHBondContact O-N 3.19Å; M537-N540 VanDerWaalsContact O-N 3.09Å; N540-P542 WeakPolarHBondContact OD1-CD 3.35Å; N540-L543 HydrophobicContact CB-CB 4.23Å; N540-L543 HydrophobicContact CB-CD1 4.3Å; N540-L543 HydrophobicContact CB-CG 4.47Å; N540-L543 WeakPolarHBondContact ND2-CD1 3.5Å; N540-L543 PolarHBondContact O-N 2.9Å; N540-L543 VanDerWaalsContact O-N 3.15Å; N540-L543 WeakPolarHBondContact OD1-CG 3.46Å; N540-L543 PolarHBondContact OD1-N 2.98Å; N540-M544 WeakPolarHBondContact O-CB 3.37Å; N540-M544 WeakPolarHBondContact O-CG 3.18Å; N540-M544 PolarHBondContact O-N 3.02Å
541A89.9Confident93.8Very high59 Ų5935.7 Ų35.749%0.48821%0.209SC..Hα-helixtrans-51.6-50-175.700000114.1D539 L543 M544 T545D539-A541 PolarHBondContact O-N 2.82Å; A541-L543 VanDerWaalsContact C-N 3.34Å; A541-L543 PolarHBondContact O-N 2.65Å; A541-M544 PolarHBondContact O-N 2.88Å; A541-M544 VanDerWaalsContact O-N 3.17Å; A541-T545 PolarHBondContact O-N 2.84Å; A541-T545 PolarHBondContact O-OG1 3.18Å
542P91.3Very high93.6Very high98 Ų9837.3 Ų37.364%0.63622%0.222SC*.Hα-helixtrans-57.8-42.2178.3-26.233.9000114N540 A546N540-P542 WeakPolarHBondContact OD1-CD 3.35Å; P542-A546 PolarHBondContact O-N 3.14Å; P542-A546 VanDerWaalsContact O-N 3.12Å
543L91Very high93.3Very high59 Ų5940.7 Ų40.731%0.30924%0.243SC..Hα-helixtrans-71.3-39.1177.7-65.8-178.3000111.1R536 N540 A541 A546 L547R536-L543 HydrophobicContact CB-CB 3.87Å; R536-L543 HydrophobicContact CB-CD1 3.92Å; R536-L543 PolarHBondContact NH1-O 2.8Å; N540-L543 HydrophobicContact CB-CB 4.23Å; N540-L543 HydrophobicContact CB-CD1 4.3Å; N540-L543 HydrophobicContact CB-CG 4.47Å; N540-L543 WeakPolarHBondContact ND2-CD1 3.5Å; N540-L543 PolarHBondContact O-N 2.9Å; N540-L543 VanDerWaalsContact O-N 3.15Å; N540-L543 WeakPolarHBondContact OD1-CG 3.46Å; N540-L543 PolarHBondContact OD1-N 2.98Å; A541-L543 VanDerWaalsContact C-N 3.34Å; A541-L543 PolarHBondContact O-N 2.65Å; L543-A546 PolarHBondContact O-N 3.14Å; L543-L547 PolarHBondContact O-N 2.87Å
544M94.5Very high93.3Very high4 Ų441.6 Ų41.62%0.0225%0.247CC..Hα-helixtrans-65.3-41.5177.1-69.8-53.5-62.800112R536 N540 A541 A546 L547 A548 F578 A581R536-M544 HydrophobicContact CG-SD 3.65Å; N540-M544 WeakPolarHBondContact O-CB 3.37Å; N540-M544 WeakPolarHBondContact O-CG 3.18Å; N540-M544 PolarHBondContact O-N 3.02Å; A541-M544 PolarHBondContact O-N 2.88Å; A541-M544 VanDerWaalsContact O-N 3.17Å; M544-A546 VanDerWaalsContact C-N 3.32Å; M544-A546 PolarHBondContact O-N 3.47Å; M544-L547 HydrophobicContact CE-CD2 4.29Å; M544-L547 WeakPolarHBondContact O-CB 3.46Å; M544-L547 PolarHBondContact O-N 2.84Å; M544-A548 PolarHBondContact O-N 2.83Å; M544-F578 HydrophobicContact CE-CB 4.21Å; M544-F578 HydrophobicContact CE-CD1 3.82Å; M544-F578 HydrophobicContact CE-CD2 3.87Å; M544-F578 HydrophobicContact CE-CE1 4.12Å; M544-F578 HydrophobicContact CE-CE2 4.2Å; M544-F578 HydrophobicContact CE-CG 3.7Å; M544-F578 HydrophobicContact CE-CZ 4.32Å; M544-F578 HydrophobicContact SD-CD1 4.49Å; M544-F578 HydrophobicContact SD-CD2 4.3Å; M544-F578 HydrophobicContact SD-CE1 4.21Å; M544-F578 HydrophobicContact SD-CE2 4.03Å; M544-F578 HydrophobicContact SD-CZ 3.99Å; M544-A581 HydrophobicContact CB-CB 3.9Å; M544-A581 HydrophobicContact CE-CB 3.54Å; M544-A581 HydrophobicContact CG-CB 4.5Å
545T92.8Very high93.3Very high56 Ų5646.1 Ų46.134%0.34427%0.268SS..Hα-helixtrans-60.1-41.3172.4-52.70000111.6A541 L547 A548 K549 H585A541-T545 PolarHBondContact O-N 2.84Å; A541-T545 PolarHBondContact O-OG1 3.18Å; T545-L547 PolarHBondContact O-N 2.62Å; T545-A548 PolarHBondContact O-N 3.18Å; T545-K549 WeakPolarHBondContact O-CB 3.14Å; T545-K549 PolarHBondContact O-N 3.33Å; T545-H585 PolarHBondContact OG1-CE1 3.23Å; T545-H585 PolarHBondContact OG1-NE2 3.43Å
546A92.5Very high93.4Very high44 Ų4445.5 Ų45.536%0.36426%0.261SS..Hα-helixtrans-65.1-36.9176.400000112.8P542 L543 M544 L550P542-A546 PolarHBondContact O-N 3.14Å; P542-A546 VanDerWaalsContact O-N 3.12Å; L543-A546 PolarHBondContact O-N 3.14Å; M544-A546 VanDerWaalsContact C-N 3.32Å; M544-A546 PolarHBondContact O-N 3.47Å; A546-L550 PolarHBondContact O-N 2.77Å
547L95.6Very high93.6Very high0 Ų046.7 Ų46.70%027%0.269CS..Hα-helixtrans-65.6-47.4174.4178.960.5000111.3C436 T533 L543 M544 T545 K549 L550 I551 F578 L582C436-L547 HydrophobicContact CB-CD1 3.97Å; C436-L547 HydrophobicContact CB-CD2 3.86Å; T533-L547 HydrophobicContact CG2-CD1 4.25Å; L543-L547 PolarHBondContact O-N 2.87Å; M544-L547 HydrophobicContact CE-CD2 4.29Å; M544-L547 WeakPolarHBondContact O-CB 3.46Å; M544-L547 PolarHBondContact O-N 2.84Å; T545-L547 PolarHBondContact O-N 2.62Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.34Å; L547-L550 WeakPolarHBondContact O-CB 3.19Å; L547-L550 PolarHBondContact O-N 3.05Å; L547-L550 VanDerWaalsContact O-N 3.14Å; L547-I551 HydrophobicContact CD1-CD1 3.96Å; L547-I551 HydrophobicContact CG-CD1 4.1Å; L547-I551 PolarHBondContact O-N 3.07Å; L547-F578 HydrophobicContact CD2-CD1 3.87Å; L547-F578 HydrophobicContact CD2-CE1 3.63Å; L547-L582 HydrophobicContact CG-CD2 4.34Å
548A94.8Very high93.8Very high2 Ų242.6 Ų42.62%0.01725%0.249CC..Hα-helixtrans-62.5-41.117900000111.5M544 T545 L550 I551 A552 A581 L582 H585M544-A548 PolarHBondContact O-N 2.83Å; T545-A548 PolarHBondContact O-N 3.18Å; A548-L550 PolarHBondContact O-N 2.84Å; A548-I551 PolarHBondContact O-N 3.26Å; A548-A552 WeakPolarHBondContact O-CB 3.29Å; A548-A552 PolarHBondContact O-N 3.29Å; A548-A581 WeakPolarHBondContact CB-O 3.11Å; A548-L582 HydrophobicContact CB-CD2 4.04Å; A548-H585 HydrophobicContact CB-CB 3.51Å
549K93.6Very high94.1Very high102 Ų10241.8 Ų41.844%0.44325%0.245SC..Hα-helixtrans-57.5-47.1171.2-176.8-167.3175.2-159.30111.4D509 T545 L547 I551 A552 V553D509-K549 IonicContact OD2-NZ 2.8Å; D509-K549 PolarHBondContact OD2-NZ 2.82Å; T545-K549 WeakPolarHBondContact O-CB 3.14Å; T545-K549 PolarHBondContact O-N 3.33Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.34Å; K549-I551 PolarHBondContact O-N 3.33Å; K549-A552 PolarHBondContact O-N 3.33Å; K549-V553 HydrophobicContact CG-CG2 4.09Å; K549-V553 VanDerWaalsContact O-CB 3.27Å; K549-V553 WeakPolarHBondContact O-CB 3.46Å; K549-V553 VanDerWaalsContact O-CG2 3.23Å; K549-V553 WeakPolarHBondContact O-CG2 3.39Å; K549-V553 PolarHBondContact O-N 3.31Å
550L96Very high94.5Very high2 Ų236.7 Ų36.71%0.0122%0.218CC..Hα-helixtrans-57.6-48.5178.6-178.9157.1000111.1T434 C466 A510 A511 A514 V531 T533 A546 L547 A548 N554T434-L550 HydrophobicContact CG2-CD2 4Å; C466-L550 HydrophobicContact CB-CD1 4.43Å; A510-L550 HydrophobicContact CB-CD1 3.82Å; A511-L550 HydrophobicContact CB-CB 4.05Å; A511-L550 HydrophobicContact CB-CG 4.46Å; A514-L550 HydrophobicContact CB-CD1 4.48Å; A514-L550 HydrophobicContact CB-CG 4.38Å; V531-L550 HydrophobicContact CG1-CD2 4.41Å; T533-L550 HydrophobicContact CG2-CD1 4.17Å; T533-L550 HydrophobicContact CG2-CD2 4.47Å; A546-L550 PolarHBondContact O-N 2.77Å; L547-L550 WeakPolarHBondContact O-CB 3.19Å; L547-L550 PolarHBondContact O-N 3.05Å; L547-L550 VanDerWaalsContact O-N 3.14Å; A548-L550 PolarHBondContact O-N 2.84Å; L550-N554 VanDerWaalsContact O-CB 3.28Å; L550-N554 WeakPolarHBondContact O-CB 3.32Å; L550-N554 PolarHBondContact O-N 3Å; L550-N554 VanDerWaalsContact O-N 3.13Å; L550-N554 PolarHBondContact O-ND2 2.9Å
551I96.4Very high94.7Very high2 Ų233.7 Ų33.71%0.0120%0.202CC..Hα-helixtrans-68.4-44-179.3-72.5165.5000111.2T434 L547 A548 K549 M555 P556 V559 L582 R592T434-I551 HydrophobicContact CG2-CD1 4.41Å; T434-I551 HydrophobicContact CG2-CG1 4.12Å; L547-I551 HydrophobicContact CD1-CD1 3.96Å; L547-I551 HydrophobicContact CG-CD1 4.1Å; L547-I551 PolarHBondContact O-N 3.07Å; A548-I551 PolarHBondContact O-N 3.26Å; K549-I551 PolarHBondContact O-N 3.33Å; I551-M555 WeakPolarHBondContact O-CA 3.36Å; I551-M555 PolarHBondContact O-N 2.72Å; I551-P556 HydrophobicContact CG1-CG 4.47Å; I551-P556 HydrophobicContact CG2-CG 4.15Å; I551-P556 WeakPolarHBondContact O-CD 3.47Å; I551-V559 HydrophobicContact CD1-CG1 3.88Å; I551-V559 HydrophobicContact CD1-CG2 4.3Å; I551-V559 HydrophobicContact CG1-CG2 4.42Å; I551-V559 HydrophobicContact CG2-CG2 4.01Å; I551-L582 HydrophobicContact CB-CD2 4.41Å; I551-L582 HydrophobicContact CD1-CD1 4.11Å; I551-L582 HydrophobicContact CD1-CD2 3.52Å; I551-L582 HydrophobicContact CD1-CG 4.48Å; I551-R592 HydrophobicContact CG2-CB 3.84Å
552A94.1Very high95.1Very high33 Ų3330.9 Ų30.927%0.27318%0.179SC..Hα-helixtrans-66.6-39.1-178.400000113A548 K549 M555A548-A552 WeakPolarHBondContact O-CB 3.29Å; A548-A552 PolarHBondContact O-N 3.29Å; K549-A552 PolarHBondContact O-N 3.33Å; A552-M555 WeakPolarHBondContact O-CG 3.41Å
553V93.2Very high95.2Very high72 Ų7226.2 Ų26.244%0.43615%0.148SC..Hα-helixtrans-75.2-39.6-179.7170.40000111.6M515 K549M515-V553 HydrophobicContact CE-CG1 3.22Å; K549-V553 HydrophobicContact CG-CG2 4.09Å; K549-V553 VanDerWaalsContact O-CB 3.27Å; K549-V553 WeakPolarHBondContact O-CB 3.46Å; K549-V553 VanDerWaalsContact O-CG2 3.23Å; K549-V553 WeakPolarHBondContact O-CG2 3.39Å; K549-V553 PolarHBondContact O-N 3.31Å
554N95.7Very high95.4Very high19 Ų1925.3 Ų25.310%0.10214%0.142CC..Hα-helixtrans-91.9-13.5-173.6-66.7-72.3000113.9A511 M515 I518 L550A511-N554 PolarHBondContact O-ND2 3.13Å; A511-N554 VanDerWaalsContact O-ND2 3.13Å; M515-N554 WeakPolarHBondContact CA-OD1 3.2Å; M515-N554 VanDerWaalsContact CB-OD1 3.29Å; M515-N554 WeakPolarHBondContact CB-OD1 3.43Å; M515-N554 PolarHBondContact N-OD1 2.74Å; I518-N554 HydrophobicContact CD1-CB 3.91Å; L550-N554 VanDerWaalsContact O-CB 3.28Å; L550-N554 WeakPolarHBondContact O-CB 3.32Å; L550-N554 PolarHBondContact O-N 3Å; L550-N554 VanDerWaalsContact O-N 3.13Å; L550-N554 PolarHBondContact O-ND2 2.9Å
555M94.9Very high95.2Very high107 Ų10725.1 Ų25.153%0.52714%0.141SC..  trans45.458.2176.6-67.8-65.6-65.900112.9I551 A552 R592I551-M555 WeakPolarHBondContact O-CA 3.36Å; I551-M555 PolarHBondContact O-N 2.72Å; A552-M555 WeakPolarHBondContact O-CG 3.41Å; M555-R592 HydrophobicContact CE-CG 3.96Å; M555-R592 HydrophobicContact SD-CG 4Å
556P97.1Very high95Very high0 Ų026.6 Ų26.60%015%0.147CC..  trans-60150.1-178.728.3-35.7000111.3V432 T434 I551 L558 V559 R592V432-P556 HydrophobicContact CB-CB 4.39Å; V432-P556 HydrophobicContact CG1-CB 3.99Å; T434-P556 WeakPolarHBondContact OG1-CB 3.42Å; I551-P556 HydrophobicContact CG1-CG 4.47Å; I551-P556 HydrophobicContact CG2-CG 4.15Å; I551-P556 WeakPolarHBondContact O-CD 3.47Å; P556-L558 VanDerWaalsContact C-N 3.32Å; P556-V559 HydrophobicContact CG-CG2 3.64Å; P556-R592 PolarHBondContact O-NH1 3.13Å; P556-R592 VanDerWaalsContact O-NH1 3.17Å; P556-R592 PolarHBondContact O-NH2 2.85Å; P556-R592 VanDerWaalsContact O-NH2 3.16Å
557D96.8Very high94.7Very high39 Ų3925.2 Ų25.221%0.20913%0.134CC..SBendtrans-66.9-37.6176.6-67.7-76.2000111.6R429 F431 V432 R592R429-D557 IonicContact CZ-OD1 2.83Å; R429-D557 IonicContact CZ-OD2 3.2Å; R429-D557 IonicContact NH1-OD1 4Å; R429-D557 PolarHBondContact NH1-OD1 2.92Å; R429-D557 IonicContact NH1-OD2 2.98Å; R429-D557 PolarHBondContact NH1-OD2 3.02Å; R429-D557 IonicContact NH2-OD1 2.81Å; R429-D557 PolarHBondContact NH2-OD1 3.44Å; F431-D557 WeakPolarHBondContact CA-OD2 3.28Å; F431-D557 HydrophobicContact CD2-CB 3.63Å; F431-D557 HydrophobicContact CE1-CB 4.34Å; F431-D557 HydrophobicContact CE2-CB 3.29Å; F431-D557 HydrophobicContact CG-CB 4.27Å; F431-D557 HydrophobicContact CZ-CB 3.71Å; V432-D557 PolarHBondContact N-OD2 3.16Å; V432-D557 PolarHBondContact O-N 2.97Å; D557-R592 PolarHBondContact O-NH2 3.45Å
558L96.8Very high93.8Very high10 Ų1026 Ų265%0.05214%0.142CC..EExtended strand (participates in β ladder)trans-138.5124.8-178.6-169.171.3000111.4V415 I417 F431 V432 I433 T434 P556 L560 D595V415-L558 HydrophobicContact CG1-CD1 4.18Å; V415-L558 HydrophobicContact CG1-CD2 4.29Å; I417-L558 HydrophobicContact CD1-CD2 3.8Å; I417-L558 HydrophobicContact CG1-CD2 3.9Å; F431-L558 HydrophobicContact CE1-CB 4.3Å; F431-L558 HydrophobicContact CZ-CB 4.19Å; V432-L558 PolarHBondContact O-N 2.9Å; I433-L558 WeakPolarHBondContact CA-O 3.41Å; I433-L558 HydrophobicContact CD1-CD2 4.48Å; I433-L558 HydrophobicContact CG1-CB 4.36Å; I433-L558 HydrophobicContact CG2-CB 4.37Å; I433-L558 HydrophobicContact CG2-CD2 4.32Å; T434-L558 PolarHBondContact N-O 2.62Å; P556-L558 VanDerWaalsContact C-N 3.32Å; L558-L560 HydrophobicContact CD2-CD1 4.09Å; L558-L560 HydrophobicContact CD2-CD2 3.77Å; L558-L560 HydrophobicContact CD2-CG 3.88Å; L558-L560 HydrophobicContact CG-CD2 3.95Å; L558-L560 HydrophobicContact CG-CG 4.06Å; L558-D595 HydrophobicContact CD1-CB 3.56Å; L558-D595 HydrophobicContact CG-CB 4.47Å
559V97.4Very high93.1Very high0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-101.5113.1170.6-176.80000109.5I551 P556 I594 D595 G596I551-V559 HydrophobicContact CD1-CG1 3.88Å; I551-V559 HydrophobicContact CD1-CG2 4.3Å; I551-V559 HydrophobicContact CG1-CG2 4.42Å; I551-V559 HydrophobicContact CG2-CG2 4.01Å; P556-V559 HydrophobicContact CG-CG2 3.64Å; V559-I594 HydrophobicContact CG1-CG1 4.29Å; V559-D595 PolarHBondContact N-OD2 3.29Å; V559-D595 PolarHBondContact O-N 3.27Å; V559-G596 PolarHBondContact O-N 3.16Å
560L97.4Very high92.7Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-102.6118178.4-67.8-178.2000111I433 T434 F435 C436 L558 G596 V598 V624I433-L560 HydrophobicContact CG2-CD1 3.68Å; I433-L560 HydrophobicContact CG2-CG 3.95Å; T434-L560 PolarHBondContact O-N 3.47Å; F435-L560 WeakPolarHBondContact CA-O 3.48Å; F435-L560 HydrophobicContact CD1-CB 4.27Å; F435-L560 HydrophobicContact CD1-CD1 4.5Å; F435-L560 HydrophobicContact CE1-CB 4.37Å; F435-L560 HydrophobicContact CE1-CD1 3.8Å; F435-L560 HydrophobicContact CZ-CD1 4.09Å; C436-L560 PolarHBondContact N-O 3.48Å; L558-L560 HydrophobicContact CD2-CD1 4.09Å; L558-L560 HydrophobicContact CD2-CD2 3.77Å; L558-L560 HydrophobicContact CD2-CG 3.88Å; L558-L560 HydrophobicContact CG-CD2 3.95Å; L558-L560 HydrophobicContact CG-CG 4.06Å; L560-G596 WeakPolarHBondContact CA-O 3.35Å; L560-V598 HydrophobicContact CB-CG2 4.19Å; L560-V598 HydrophobicContact CD1-CG2 3.96Å; L560-V598 HydrophobicContact CG-CG2 4.48Å; L560-V624 HydrophobicContact CD2-CB 4.32Å; L560-V624 HydrophobicContact CD2-CG2 3.89Å
561F97.1Very high92.1Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-83124169.1179.5-94.7000110.1C436 Q574 L575 F578 I594 G596 I597 V598C436-F561 CarbonylContact O-C 3.1Å; C436-F561 WeakPolarHBondContact O-CA 3.18Å; F561-Q574 HydrophobicContact CZ-CB 4.09Å; F561-L575 HydrophobicContact CB-CD2 4.02Å; F561-L575 HydrophobicContact CD1-CD1 4.45Å; F561-L575 HydrophobicContact CD1-CD2 3.33Å; F561-L575 HydrophobicContact CD1-CG 3.97Å; F561-L575 HydrophobicContact CD2-CD2 3.92Å; F561-L575 HydrophobicContact CE1-CD1 4.3Å; F561-L575 HydrophobicContact CE1-CD2 3.63Å; F561-L575 HydrophobicContact CE1-CG 3.75Å; F561-L575 HydrophobicContact CE2-CD2 4.18Å; F561-L575 HydrophobicContact CG-CD2 3.47Å; F561-L575 VanDerWaalsContact CG-CD2 3.47Å; F561-L575 HydrophobicContact CG-CG 4.47Å; F561-L575 HydrophobicContact CZ-CD2 4.05Å; F561-L575 HydrophobicContact CZ-CG 4.1Å; F561-F578 HydrophobicContact CD2-CD1 4.1Å; F561-F578 HydrophobicContact CD2-CE1 4.5Å; F561-F578 HydrophobicContact CD2-CG 4.27Å; F561-F578 HydrophobicContact CE2-CD1 4.07Å; F561-F578 HydrophobicContact CE2-CD2 4.11Å; F561-F578 HydrophobicContact CE2-CE1 4.3Å; F561-F578 HydrophobicContact CE2-CE2 4.31Å; F561-F578 AromaticContact CE2-CG 3.97Å; F561-F578 HydrophobicContact CE2-CG 3.97Å; F561-F578 HydrophobicContact CE2-CZ 4.4Å; F561-I594 HydrophobicContact CB-CD1 3.78Å; F561-I594 HydrophobicContact CB-CG1 4.11Å; F561-I594 HydrophobicContact CB-CG2 3.62Å; F561-I594 HydrophobicContact CD2-CD1 3.86Å; F561-I594 HydrophobicContact CG-CD1 4.07Å; F561-G596 PolarHBondContact N-O 2.99Å; F561-I597 CarbonylContact O-C 3.48Å; F561-I597 VanDerWaalsContact O-CA 3.28Å; F561-I597 WeakPolarHBondContact O-CA 3.4Å; F561-V598 PolarHBondContact O-N 2.68Å
562V97.3Very high91.5Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-98.5115177.3-169.90000108.3F435 C436 V441 K443 V598 T600F435-V562 HydrophobicContact CB-CG2 4.38Å; F435-V562 HydrophobicContact CD1-CG2 3.91Å; C436-V562 PolarHBondContact O-N 3.01Å; V441-V562 HydrophobicContact CB-CG1 4.5Å; V441-V562 HydrophobicContact CG2-CB 4.1Å; V441-V562 HydrophobicContact CG2-CG1 3.96Å; V441-V562 VanDerWaalsContact CG2-O 3.25Å; V441-V562 WeakPolarHBondContact CG2-O 3.33Å; K443-V562 HydrophobicContact CB-CG2 4.5Å; K443-V562 HydrophobicContact CG-CB 3.81Å; K443-V562 HydrophobicContact CG-CG1 4.28Å; K443-V562 HydrophobicContact CG-CG2 3.84Å; V562-V598 WeakPolarHBondContact CA-O 3.11Å; V562-V598 HydrophobicContact CG1-CB 4.38Å; V562-V598 HydrophobicContact CG1-CG1 4.44Å; V562-V598 HydrophobicContact CG2-CB 4.21Å; V562-T600 HydrophobicContact CG1-CG2 3.44Å; V562-T600 VanDerWaalsContact CG1-CG2 3.44Å
563G94.9Very high91.3Very high0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-124.8148.917800000110.7V598 L599 T600G563-V598 PolarHBondContact N-O 3.13Å; G563-L599 CarbonylContact O-C 3.22Å; G563-L599 WeakPolarHBondContact O-CA 3.21Å; G563-T600 PolarHBondContact O-N 2.91Å; G563-T600 PolarHBondContact O-OG1 2.74Å
564E93.6Very high91.2Very high39 Ų3930.3 Ų30.318%0.18216%0.16CC..EExtended strand (participates in β ladder)trans-92.4144.7177.166-173.7179.700111.7V441 L566 V567 K601V441-E564 HydrophobicContact CG1-CB 4.38Å; V441-E564 HydrophobicContact CG1-CG 4.29Å; E564-L566 HydrophobicContact CG-CB 4.37Å; E564-L566 PolarHBondContact O-N 2.74Å; E564-V567 HydrophobicContact CG-CB 3.95Å; E564-V567 HydrophobicContact CG-CG2 4.37Å; E564-V567 WeakPolarHBondContact O-CB 3.31Å; E564-V567 PolarHBondContact O-N 3.46Å; E564-K601 HydrophobicContact CB-CD 4.1Å; E564-K601 HydrophobicContact CB-CG 4.45Å; E564-K601 WeakPolarHBondContact OE2-CD 3.34Å; E564-K601 WeakPolarHBondContact OE2-CE 3.36Å; E564-K601 IonicContact OE2-NZ 2.82Å; E564-K601 PolarHBondContact OE2-NZ 3.03Å
565A91.9Very high90.9Very high0 Ų029.4 Ų29.40%016%0.155CC..THydrogen-bonded Turntrans-69.2-20.6-179.700000113.4N365 V567 L599 T600 F602 I605 A611N365-A565 PolarHBondContact ND2-O 3.11Å; A565-V567 PolarHBondContact O-N 3.4Å; A565-L599 HydrophobicContact CB-CD1 4.01Å; A565-L599 HydrophobicContact CB-CD2 4.4Å; A565-L599 HydrophobicContact CB-CG 4.1Å; A565-T600 WeakPolarHBondContact CB-O 3.45Å; A565-T600 PolarHBondContact N-O 3.11Å; A565-F602 HydrophobicContact CB-CD2 4.12Å; A565-I605 HydrophobicContact CB-CD1 3.73Å; A565-I605 HydrophobicContact CB-CG1 3.96Å; A565-I605 HydrophobicContact CB-CG2 3.97Å; A565-A611 WeakPolarHBondContact O-CB 3.5Å
566L87.2Confident90.7Very high87 Ų8727.3 Ų27.346%0.45515%0.148SC..THydrogen-bonded Turntrans-68.8-17.5176.3-70.7163.6000113E564 K601 T604 I605E564-L566 HydrophobicContact CG-CB 4.37Å; E564-L566 PolarHBondContact O-N 2.74Å; L566-K601 HydrophobicContact CD1-CB 4.44Å; L566-K601 HydrophobicContact CD1-CD 4.01Å; L566-T604 WeakPolarHBondContact CD1-OG1 3.44Å; L566-T604 WeakPolarHBondContact CD2-OG1 3.37Å; L566-T604 VanDerWaalsContact CG-OG1 3.27Å; L566-T604 WeakPolarHBondContact CG-OG1 3.28Å; L566-I605 HydrophobicContact CD2-CG2 3.67Å; L566-I605 HydrophobicContact CG-CG2 3.95Å
567V85.9Confident90.5Very high15 Ų1530 Ų309%0.09116%0.16CC..  trans-78.8127.6-173.7108.90000109.4N365 E564 A565 E570 A571 A611 M615N365-V567 PolarHBondContact ND2-O 3.32Å; E564-V567 HydrophobicContact CG-CB 3.95Å; E564-V567 HydrophobicContact CG-CG2 4.37Å; E564-V567 WeakPolarHBondContact O-CB 3.31Å; E564-V567 PolarHBondContact O-N 3.46Å; A565-V567 PolarHBondContact O-N 3.4Å; V567-E570 HydrophobicContact CG2-CB 3.9Å; V567-A571 HydrophobicContact CG1-CB 3.41Å; V567-A571 VanDerWaalsContact CG1-CB 3.41Å; V567-A611 VanDerWaalsContact O-CB 3.25Å; V567-A611 WeakPolarHBondContact O-CB 3.45Å; V567-M615 HydrophobicContact CG1-CE 3.68Å
568G76.9Confident90.3Very high17 Ų1728.1 Ų28.118%0.17515%0.15CC..  trans-91.6-118.7178.200000111.9N365 E570 A571N365-G568 WeakPolarHBondContact OD1-CA 3.35Å; G568-E570 PolarHBondContact O-N 3.12Å; G568-E570 VanDerWaalsContact O-N 3.11Å; G568-A571 VanDerWaalsContact O-CB 3.24Å; G568-A571 WeakPolarHBondContact O-CB 3.38Å; G568-A571 PolarHBondContact O-N 3.21Å
569N80.8Confident90.1Very high104 Ų10429 Ų2956%0.55616%0.155SC*.THydrogen-bonded Turntrans-55.2-31-179.5-66.9-37.8000114.1A367 A368 A571 V572A367-N569 WeakPolarHBondContact CA-OD1 3.19Å; A367-N569 WeakPolarHBondContact CB-OD1 3.42Å; A368-N569 PolarHBondContact N-OD1 3.21Å; A368-N569 VanDerWaalsContact N-OD1 3.08Å; N569-A571 PolarHBondContact O-N 3.32Å; N569-V572 PolarHBondContact O-N 2.86Å
570E84.9Confident89.9Confident106 Ų10633.7 Ų33.750%0.49518%0.177SC..Hα-helixtrans-58.8-25.3176.3-77.5-99.7147.700113.3V567 G568 V572 D573 Q574V567-E570 HydrophobicContact CG2-CB 3.9Å; G568-E570 PolarHBondContact O-N 3.12Å; G568-E570 VanDerWaalsContact O-N 3.11Å; E570-V572 PolarHBondContact O-N 3.16Å; E570-D573 PolarHBondContact O-N 2.96Å; E570-Q574 WeakPolarHBondContact O-CB 3.37Å; E570-Q574 WeakPolarHBondContact O-CG 3.42Å; E570-Q574 PolarHBondContact O-N 2.67Å; E570-Q574 PolarHBondContact OE2-NE2 3.25Å
571A83.9Confident89.7Confident0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-53.9-41.517700000111.6V567 G568 N569 L575 M615V567-A571 HydrophobicContact CG1-CB 3.41Å; V567-A571 VanDerWaalsContact CG1-CB 3.41Å; G568-A571 VanDerWaalsContact O-CB 3.24Å; G568-A571 WeakPolarHBondContact O-CB 3.38Å; G568-A571 PolarHBondContact O-N 3.21Å; N569-A571 PolarHBondContact O-N 3.32Å; A571-L575 PolarHBondContact O-N 2.88Å; A571-M615 HydrophobicContact CB-CE 3.9Å; A571-M615 HydrophobicContact CB-CG 3.87Å
572V83.3Confident89.5Confident32 Ų3234.5 Ų34.519%0.19418%0.182CC..Hα-helixtrans-67.4-52.4-177.2174.20000109.8A367 I370 N569 E570 Q574 L575 V576 I618A367-V572 HydrophobicContact CB-CG2 3.85Å; I370-V572 HydrophobicContact CG1-CG2 4.26Å; N569-V572 PolarHBondContact O-N 2.86Å; E570-V572 PolarHBondContact O-N 3.16Å; V572-Q574 PolarHBondContact O-N 3.17Å; V572-L575 PolarHBondContact O-N 3.15Å; V572-V576 HydrophobicContact CG1-CG2 4.37Å; V572-V576 WeakPolarHBondContact O-CB 3.3Å; V572-V576 VanDerWaalsContact O-CG2 3.27Å; V572-V576 WeakPolarHBondContact O-CG2 3.29Å; V572-V576 PolarHBondContact O-N 3.31Å; V572-I618 HydrophobicContact CB-CG1 4.31Å; V572-I618 HydrophobicContact CG1-CD1 3.76Å; V572-I618 HydrophobicContact CG1-CG1 3.81Å; V572-I618 HydrophobicContact CG2-CG1 3.98Å
573D89.2Confident89.2Confident53 Ų5336.2 Ų36.228%0.28320%0.197SC..Hα-helixtrans-61.2-44.1-177.4-174.265.9000112Q538 E570 K577Q538-D573 WeakPolarHBondContact CG-OD2 3.44Å; Q538-D573 PolarHBondContact NE2-OD2 3.25Å; E570-D573 PolarHBondContact O-N 2.96Å; D573-K577 WeakPolarHBondContact O-CB 3.42Å; D573-K577 PolarHBondContact O-N 3.21Å; D573-K577 WeakPolarHBondContact OD1-CE 3.03Å; D573-K577 IonicContact OD1-NZ 2.72Å; D573-K577 PolarHBondContact OD1-NZ 3.05Å; D573-K577 WeakPolarHBondContact OD2-CE 3.18Å; D573-K577 IonicContact OD2-NZ 3.55Å; D573-K577 PolarHBondContact OD2-NZ 2.9Å
574Q91.3Very high89Confident8 Ų841.3 Ų41.34%0.03722%0.224CC..Hα-helixtrans-58.2-52.6177.8-70172.917.200111.3V438 Q538 F561 E570 V572 F578V438-Q574 HydrophobicContact CG1-CB 4.46Å; V438-Q574 HydrophobicContact CG1-CG 3.84Å; Q538-Q574 HydrophobicContact CG-CG 4.42Å; F561-Q574 HydrophobicContact CZ-CB 4.09Å; E570-Q574 WeakPolarHBondContact O-CB 3.37Å; E570-Q574 WeakPolarHBondContact O-CG 3.42Å; E570-Q574 PolarHBondContact O-N 2.67Å; E570-Q574 PolarHBondContact OE2-NE2 3.25Å; V572-Q574 PolarHBondContact O-N 3.17Å; Q574-F578 WeakPolarHBondContact O-CB 2.96Å; Q574-F578 WeakPolarHBondContact O-CD2 3.18Å; Q574-F578 PolarHBondContact O-N 3.03Å
575L89.4Confident88.8Confident0 Ų042.9 Ų42.90%023%0.231CC..Hα-helixtrans-67.5-40-176.9-82.8165.2000113.2F561 A571 V572 N579 I594 M615 T619F561-L575 HydrophobicContact CB-CD2 4.02Å; F561-L575 HydrophobicContact CD1-CD1 4.45Å; F561-L575 HydrophobicContact CD1-CD2 3.33Å; F561-L575 HydrophobicContact CD1-CG 3.97Å; F561-L575 HydrophobicContact CD2-CD2 3.92Å; F561-L575 HydrophobicContact CE1-CD1 4.3Å; F561-L575 HydrophobicContact CE1-CD2 3.63Å; F561-L575 HydrophobicContact CE1-CG 3.75Å; F561-L575 HydrophobicContact CE2-CD2 4.18Å; F561-L575 HydrophobicContact CG-CD2 3.47Å; F561-L575 VanDerWaalsContact CG-CD2 3.47Å; F561-L575 HydrophobicContact CG-CG 4.47Å; F561-L575 HydrophobicContact CZ-CD2 4.05Å; F561-L575 HydrophobicContact CZ-CG 4.1Å; A571-L575 PolarHBondContact O-N 2.88Å; V572-L575 PolarHBondContact O-N 3.15Å; L575-N579 WeakPolarHBondContact O-CB 3.2Å; L575-N579 PolarHBondContact O-N 3.28Å; L575-I594 HydrophobicContact CD2-CD1 3.9Å; L575-M615 HydrophobicContact CD1-CB 3.5Å; L575-M615 VanDerWaalsContact CD1-CB 3.5Å; L575-M615 HydrophobicContact CD1-CG 3.54Å; L575-M615 HydrophobicContact CD1-SD 4.38Å; L575-T619 HydrophobicContact CB-CG2 3.79Å; L575-T619 HydrophobicContact CD1-CG2 3.67Å; L575-T619 HydrophobicContact CD2-CG2 3.67Å; L575-T619 HydrophobicContact CG-CG2 3.9Å
576V90.4Very high88.6Confident63 Ų6344 Ų4438%0.38224%0.239SC..Hα-helixtrans-60.4-52.8177.2170.70000110.1V572 F578 N579 Q580 I618V572-V576 HydrophobicContact CG1-CG2 4.37Å; V572-V576 WeakPolarHBondContact O-CB 3.3Å; V572-V576 VanDerWaalsContact O-CG2 3.27Å; V572-V576 WeakPolarHBondContact O-CG2 3.29Å; V572-V576 PolarHBondContact O-N 3.31Å; V576-F578 PolarHBondContact O-N 3.09Å; V576-N579 PolarHBondContact O-N 3.46Å; V576-Q580 VanDerWaalsContact O-CB 3.28Å; V576-Q580 WeakPolarHBondContact O-CB 3.25Å; V576-Q580 PolarHBondContact O-N 2.75Å; V576-I618 HydrophobicContact CG2-CG2 3.6Å
577K93.1Very high88.3Confident56 Ų5649 Ų4924%0.24326%0.262CS..Hα-helixtrans-68.9-34.3-177.2-75.3172.4178.5165.30112.8Q538 D539 D573 A581Q538-K577 HydrophobicContact CB-CB 3.78Å; Q538-K577 HydrophobicContact CB-CD 4.01Å; Q538-K577 HydrophobicContact CG-CB 4.16Å; Q538-K577 HydrophobicContact CG-CD 3.49Å; Q538-K577 VanDerWaalsContact CG-CD 3.49Å; Q538-K577 HydrophobicContact CG-CG 4.47Å; D539-K577 VanDerWaalsContact OD1-CD 3.24Å; D539-K577 WeakPolarHBondContact OD1-CD 3.48Å; D539-K577 WeakPolarHBondContact OD1-CE 3.16Å; D539-K577 IonicContact OD1-NZ 3.91Å; D539-K577 PolarHBondContact OD1-NZ 3.05Å; D539-K577 IonicContact OD2-NZ 3.19Å; D539-K577 PolarHBondContact OD2-NZ 2.96Å; D573-K577 WeakPolarHBondContact O-CB 3.42Å; D573-K577 PolarHBondContact O-N 3.21Å; D573-K577 WeakPolarHBondContact OD1-CE 3.03Å; D573-K577 IonicContact OD1-NZ 2.72Å; D573-K577 PolarHBondContact OD1-NZ 3.05Å; D573-K577 WeakPolarHBondContact OD2-CE 3.18Å; D573-K577 IonicContact OD2-NZ 3.55Å; D573-K577 PolarHBondContact OD2-NZ 2.9Å; K577-A581 VanDerWaalsContact O-CB 3.3Å; K577-A581 WeakPolarHBondContact O-CB 3.46Å; K577-A581 PolarHBondContact O-N 3.25Å
578F94.3Very high88.1Confident0 Ų051.1 Ų51.10%028%0.278CS..Hα-helixtrans-62.1-52.4172.2-92-111000111.3C436 V438 R536 Q538 M544 L547 F561 Q574 V576 Q580 A581 L582 I594C436-F578 HydrophobicContact CB-CE1 4.31Å; V438-F578 HydrophobicContact CG1-CE2 4.02Å; V438-F578 HydrophobicContact CG1-CZ 4.39Å; R536-F578 HydrophobicContact CG-CE1 4.37Å; R536-F578 HydrophobicContact CG-CZ 3.88Å; Q538-F578 HydrophobicContact CB-CD2 3.94Å; Q538-F578 HydrophobicContact CB-CE2 3.94Å; M544-F578 HydrophobicContact CE-CB 4.21Å; M544-F578 HydrophobicContact CE-CD1 3.82Å; M544-F578 HydrophobicContact CE-CD2 3.87Å; M544-F578 HydrophobicContact CE-CE1 4.12Å; M544-F578 HydrophobicContact CE-CE2 4.2Å; M544-F578 HydrophobicContact CE-CG 3.7Å; M544-F578 HydrophobicContact CE-CZ 4.32Å; M544-F578 HydrophobicContact SD-CD1 4.49Å; M544-F578 HydrophobicContact SD-CD2 4.3Å; M544-F578 HydrophobicContact SD-CE1 4.21Å; M544-F578 HydrophobicContact SD-CE2 4.03Å; M544-F578 HydrophobicContact SD-CZ 3.99Å; L547-F578 HydrophobicContact CD2-CD1 3.87Å; L547-F578 HydrophobicContact CD2-CE1 3.63Å; F561-F578 HydrophobicContact CD2-CD1 4.1Å; F561-F578 HydrophobicContact CD2-CE1 4.5Å; F561-F578 HydrophobicContact CD2-CG 4.27Å; F561-F578 HydrophobicContact CE2-CD1 4.07Å; F561-F578 HydrophobicContact CE2-CD2 4.11Å; F561-F578 HydrophobicContact CE2-CE1 4.3Å; F561-F578 HydrophobicContact CE2-CE2 4.31Å; F561-F578 AromaticContact CE2-CG 3.97Å; F561-F578 HydrophobicContact CE2-CG 3.97Å; F561-F578 HydrophobicContact CE2-CZ 4.4Å; Q574-F578 WeakPolarHBondContact O-CB 2.96Å; Q574-F578 WeakPolarHBondContact O-CD2 3.18Å; Q574-F578 PolarHBondContact O-N 3.03Å; V576-F578 PolarHBondContact O-N 3.09Å; F578-Q580 VanDerWaalsContact C-N 3.32Å; F578-Q580 PolarHBondContact O-N 2.85Å; F578-A581 PolarHBondContact O-N 3.39Å; F578-L582 VanDerWaalsContact O-CG 3.29Å; F578-L582 WeakPolarHBondContact O-CG 3.36Å; F578-L582 PolarHBondContact O-N 3.01Å; F578-I594 HydrophobicContact CB-CD1 3.84Å
579N92.3Very high88.2Confident28 Ų2858.6 Ų58.615%0.1531%0.314CS..Hα-helixtrans-62.2-40178-84.8-35.2000112.4L575 V576 L582 A583 I594L575-N579 WeakPolarHBondContact O-CB 3.2Å; L575-N579 PolarHBondContact O-N 3.28Å; V576-N579 PolarHBondContact O-N 3.46Å; N579-L582 PolarHBondContact O-N 3.28Å; N579-A583 WeakPolarHBondContact O-CB 3.39Å; N579-A583 PolarHBondContact O-N 3.38Å; N579-I594 WeakPolarHBondContact OD1-CB 3.37Å; N579-I594 WeakPolarHBondContact OD1-CG1 3.26Å; N579-I594 PolarHBondContact OD1-N 3.29Å
580Q92.6Very high88.2Confident100 Ų10062.2 Ų62.247%0.46733%0.325SS..Hα-helixtrans-60.7-48.8176.2-180173.1300111.2V576 F578 L582 A583 D584V576-Q580 VanDerWaalsContact O-CB 3.28Å; V576-Q580 WeakPolarHBondContact O-CB 3.25Å; V576-Q580 PolarHBondContact O-N 2.75Å; F578-Q580 VanDerWaalsContact C-N 3.32Å; F578-Q580 PolarHBondContact O-N 2.85Å; Q580-L582 VanDerWaalsContact C-N 3.29Å; Q580-L582 PolarHBondContact O-N 3Å; Q580-A583 WeakPolarHBondContact O-CB 3.5Å; Q580-A583 PolarHBondContact O-N 2.77Å; Q580-A583 VanDerWaalsContact O-N 3.08Å; Q580-D584 WeakPolarHBondContact CG-OD2 3.41Å; Q580-D584 PolarHBondContact NE2-OD2 3.01Å; Q580-D584 WeakPolarHBondContact O-CB 3.04Å; Q580-D584 VanDerWaalsContact O-CG 3.23Å; Q580-D584 PolarHBondContact O-N 2.93Å
581A93.2Very high88.3Confident11 Ų1159.3 Ų59.39%0.09132%0.315CS..Hα-helixtrans-62.2-36.717800000112.7M544 A548 K577 F578 A583 H585M544-A581 HydrophobicContact CB-CB 3.9Å; M544-A581 HydrophobicContact CE-CB 3.54Å; M544-A581 HydrophobicContact CG-CB 4.5Å; A548-A581 WeakPolarHBondContact CB-O 3.11Å; K577-A581 VanDerWaalsContact O-CB 3.3Å; K577-A581 WeakPolarHBondContact O-CB 3.46Å; K577-A581 PolarHBondContact O-N 3.25Å; F578-A581 PolarHBondContact O-N 3.39Å; A581-A583 VanDerWaalsContact C-N 3.32Å; A581-H585 WeakPolarHBondContact O-CB 3.44Å; A581-H585 PolarHBondContact O-CD2 2.83Å; A581-H585 VanDerWaalsContact O-CD2 3.28Å; A581-H585 PolarHBondContact O-N 3.5Å
582L92.9Very high88.6Confident5 Ų562.4 Ų62.43%0.02633%0.326CS..Hα-helixtrans-66.4-34.7174.4-65-178000112.3L547 A548 I551 F578 N579 Q580 S586 L593 I594L547-L582 HydrophobicContact CG-CD2 4.34Å; A548-L582 HydrophobicContact CB-CD2 4.04Å; I551-L582 HydrophobicContact CB-CD2 4.41Å; I551-L582 HydrophobicContact CD1-CD1 4.11Å; I551-L582 HydrophobicContact CD1-CD2 3.52Å; I551-L582 HydrophobicContact CD1-CG 4.48Å; F578-L582 VanDerWaalsContact O-CG 3.29Å; F578-L582 WeakPolarHBondContact O-CG 3.36Å; F578-L582 PolarHBondContact O-N 3.01Å; N579-L582 PolarHBondContact O-N 3.28Å; Q580-L582 VanDerWaalsContact C-N 3.29Å; Q580-L582 PolarHBondContact O-N 3Å; L582-S586 WeakPolarHBondContact O-CB 3.4Å; L582-S586 PolarHBondContact O-N 2.96Å; L582-L593 HydrophobicContact CB-CD2 4.24Å; L582-I594 HydrophobicContact CD1-CG1 4.06Å
583A92.1Very high89.1Confident37 Ų3763.8 Ų63.831%0.30633%0.333SS..Hα-helixtrans-72.7-52.9175.500000111.9N579 Q580 A581 H585 S586 P591 L593N579-A583 WeakPolarHBondContact O-CB 3.39Å; N579-A583 PolarHBondContact O-N 3.38Å; Q580-A583 WeakPolarHBondContact O-CB 3.5Å; Q580-A583 PolarHBondContact O-N 2.77Å; Q580-A583 VanDerWaalsContact O-N 3.08Å; A581-A583 VanDerWaalsContact C-N 3.32Å; A583-H585 VanDerWaalsContact C-N 3.29Å; A583-H585 PolarHBondContact O-N 3.21Å; A583-S586 WeakPolarHBondContact O-CB 3.45Å; A583-S586 PolarHBondContact O-N 2.73Å; A583-S586 VanDerWaalsContact O-N 3.14Å; A583-P591 HydrophobicContact CB-CB 4.39Å; A583-P591 HydrophobicContact CB-CG 4.11Å; A583-L593 HydrophobicContact CB-CD2 4.03Å
584D90.7Very high89.3Confident106 Ų10661.3 Ų61.357%0.56732%0.319SS*.Hα-helixtrans-64.6-32.1-172.3-69.4-8000112.7Q580Q580-D584 WeakPolarHBondContact CG-OD2 3.41Å; Q580-D584 PolarHBondContact NE2-OD2 3.01Å; Q580-D584 WeakPolarHBondContact O-CB 3.04Å; Q580-D584 VanDerWaalsContact O-CG 3.23Å; Q580-D584 PolarHBondContact O-N 2.93Å
585H87.6Confident89.4Confident73 Ų7362.3 Ų62.334%0.33833%0.325SS..THydrogen-bonded Turntrans-101.89.8179.6-61.4-57.6000113.4T545 A548 A581 A583T545-H585 PolarHBondContact OG1-CE1 3.23Å; T545-H585 PolarHBondContact OG1-NE2 3.43Å; A548-H585 HydrophobicContact CB-CB 3.51Å; A581-H585 WeakPolarHBondContact O-CB 3.44Å; A581-H585 PolarHBondContact O-CD2 2.83Å; A581-H585 VanDerWaalsContact O-CD2 3.28Å; A581-H585 PolarHBondContact O-N 3.5Å; A583-H585 VanDerWaalsContact C-N 3.29Å; A583-H585 PolarHBondContact O-N 3.21Å
586S87.9Confident89.6Confident22 Ų2262.3 Ų62.315%0.15433%0.325CS..  trans-83.9138.1168.2-162.60000110.4L582 A583 S588L582-S586 WeakPolarHBondContact O-CB 3.4Å; L582-S586 PolarHBondContact O-N 2.96Å; A583-S586 WeakPolarHBondContact O-CB 3.45Å; A583-S586 PolarHBondContact O-N 2.73Å; A583-S586 VanDerWaalsContact O-N 3.14Å; S586-S588 VanDerWaalsContact C-N 3.3Å; S586-S588 PolarHBondContact OG-N 3.12Å
587M80.9Confident89.8Confident193 Ų19359.3 Ų59.395%0.95131%0.307SS*.  trans-92.18.3171.9-61.4-67.3-17900112.3
588S81.8Confident89.9Confident60 Ų6056.6 Ų56.642%0.4230%0.295SS..SBendtrans-101.4140.7-177.6176.20000110.8S586 K590S586-S588 VanDerWaalsContact C-N 3.3Å; S586-S588 PolarHBondContact OG-N 3.12Å; S588-K590 PolarHBondContact O-N 3.19Å; S588-K590 VanDerWaalsContact O-N 3.11Å; S588-K590 PolarHBondContact OG-N 3.3Å; S588-K590 PolarHBondContact OG-O 3.07Å
589D79Confident90Very high173 Ų17356.6 Ų56.693%0.92530%0.295SS*.SBendtrans-57.8-24.5172.1-63.1-35.2000112.6
590K81.6Confident90.2Very high181 Ų18155.4 Ų55.479%0.78729%0.288SS*.SBendtrans-121.994.1172.2-69.4-177.3-178175.70108.8S588S588-K590 PolarHBondContact O-N 3.19Å; S588-K590 VanDerWaalsContact O-N 3.11Å; S588-K590 PolarHBondContact OG-N 3.3Å; S588-K590 PolarHBondContact OG-O 3.07Å
591P86.6Confident90.3Very high45 Ų4553.9 Ų53.929%0.29228%0.28SS..  trans-66146.3179.825.8-34000111.4A583 L593A583-P591 HydrophobicContact CB-CB 4.39Å; A583-P591 HydrophobicContact CB-CG 4.11Å; P591-L593 HydrophobicContact CB-CD2 4.23Å; P591-L593 HydrophobicContact CG-CD2 4.19Å; P591-L593 PolarHBondContact O-N 3.02Å
592R90.8Very high90.3Very high64 Ų6454.2 Ų54.224%0.24228%0.28CS..  trans-78.7110.8168.7-72.8-59.9-57.1-128.14.9108.9I551 M555 P556 D557 D595I551-R592 HydrophobicContact CG2-CB 3.84Å; M555-R592 HydrophobicContact CE-CG 3.96Å; M555-R592 HydrophobicContact SD-CG 4Å; P556-R592 PolarHBondContact O-NH1 3.13Å; P556-R592 VanDerWaalsContact O-NH1 3.17Å; P556-R592 PolarHBondContact O-NH2 2.85Å; P556-R592 VanDerWaalsContact O-NH2 3.16Å; D557-R592 PolarHBondContact O-NH2 3.45Å; R592-D595 IonicContact CZ-OD2 3.45Å; R592-D595 IonicContact NH2-OD1 2.67Å; R592-D595 IonicContact NH2-OD2 2.68Å; R592-D595 PolarHBondContact NH2-OD2 3.35Å
593L92.9Very high90.2Very high62 Ų6258 Ų5833%0.32530%0.3SS..  trans-95.9-178.8177-56.7-175.8000110.6L582 A583 P591 D595L582-L593 HydrophobicContact CB-CD2 4.24Å; A583-L593 HydrophobicContact CB-CD2 4.03Å; P591-L593 HydrophobicContact CB-CD2 4.23Å; P591-L593 HydrophobicContact CG-CD2 4.19Å; P591-L593 PolarHBondContact O-N 3.02Å; L593-D595 PolarHBondContact O-N 2.65Å
594I93.4Very high90.1Very high0 Ų059.3 Ų59.30%030%0.304CS..  trans-64.1129.8168.8-67.2161.2000108.8V559 F561 L575 F578 N579 L582 G596 Q621V559-I594 HydrophobicContact CG1-CG1 4.29Å; F561-I594 HydrophobicContact CB-CD1 3.78Å; F561-I594 HydrophobicContact CB-CG1 4.11Å; F561-I594 HydrophobicContact CB-CG2 3.62Å; F561-I594 HydrophobicContact CD2-CD1 3.86Å; F561-I594 HydrophobicContact CG-CD1 4.07Å; L575-I594 HydrophobicContact CD2-CD1 3.9Å; F578-I594 HydrophobicContact CB-CD1 3.84Å; N579-I594 WeakPolarHBondContact OD1-CB 3.37Å; N579-I594 WeakPolarHBondContact OD1-CG1 3.26Å; N579-I594 PolarHBondContact OD1-N 3.29Å; L582-I594 HydrophobicContact CD1-CG1 4.06Å; I594-G596 WeakPolarHBondContact CG2-O 3.16Å; I594-Q621 VanDerWaalsContact O-CD 3.31Å; I594-Q621 WeakPolarHBondContact O-CG 3.08Å; I594-Q621 PolarHBondContact O-NE2 3.38Å
595D93.1Very high89.9Confident29 Ų2954.8 Ų54.816%0.15528%0.28CS..  trans-100.1-22.1-177.9-63.7-62.1000112.5L558 V559 R592 L593 Q621L558-D595 HydrophobicContact CD1-CB 3.56Å; L558-D595 HydrophobicContact CG-CB 4.47Å; V559-D595 PolarHBondContact N-OD2 3.29Å; V559-D595 PolarHBondContact O-N 3.27Å; R592-D595 IonicContact CZ-OD2 3.45Å; R592-D595 IonicContact NH2-OD1 2.67Å; R592-D595 IonicContact NH2-OD2 2.68Å; R592-D595 PolarHBondContact NH2-OD2 3.35Å; L593-D595 PolarHBondContact O-N 2.65Å; D595-Q621 PolarHBondContact O-OE1 2.6Å
596G93.8Very high89.7Confident0 Ų057.5 Ų57.50%030%0.297CS..EExtended strand (participates in β ladder)trans-165166.4-179.200000113.3V559 L560 F561 I594 P622V559-G596 PolarHBondContact O-N 3.16Å; L560-G596 WeakPolarHBondContact CA-O 3.35Å; F561-G596 PolarHBondContact N-O 2.99Å; I594-G596 WeakPolarHBondContact CG2-O 3.16Å; G596-P622 CarbonylContact C-O 3.5Å; G596-P622 WeakPolarHBondContact CA-O 3.11Å
597I94.8Very high89.4Confident0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-117.1137.9-176.7-61.5153.7000109.9F561 M615 P622 I623 V624F561-I597 CarbonylContact O-C 3.48Å; F561-I597 VanDerWaalsContact O-CA 3.28Å; F561-I597 WeakPolarHBondContact O-CA 3.4Å; I597-M615 HydrophobicContact CD1-CB 3.87Å; I597-M615 HydrophobicContact CG2-SD 4Å; I597-P622 PolarHBondContact N-O 2.97Å; I597-I623 HydrophobicContact CB-CG1 4.2Å; I597-I623 HydrophobicContact CG2-CG1 4.28Å; I597-I623 CarbonylContact O-C 3.59Å; I597-I623 WeakPolarHBondContact O-CA 3.22Å; I597-V624 PolarHBondContact O-N 3Å
598V96.6Very high89.7Confident0 Ų054.9 Ų54.90%028%0.28CS..EExtended strand (participates in β ladder)trans-107.8110.1165.1179.40000107.3N446 I450 L560 F561 V562 G563 T600 F625N446-V598 HydrophobicContact CB-CG1 4.14Å; I450-V598 HydrophobicContact CD1-CG2 4.46Å; L560-V598 HydrophobicContact CB-CG2 4.19Å; L560-V598 HydrophobicContact CD1-CG2 3.96Å; L560-V598 HydrophobicContact CG-CG2 4.48Å; F561-V598 PolarHBondContact O-N 2.68Å; V562-V598 WeakPolarHBondContact CA-O 3.11Å; V562-V598 HydrophobicContact CG1-CB 4.38Å; V562-V598 HydrophobicContact CG1-CG1 4.44Å; V562-V598 HydrophobicContact CG2-CB 4.21Å; G563-V598 PolarHBondContact N-O 3.13Å; V598-T600 HydrophobicContact CG1-CG2 4.01Å; V598-F625 WeakPolarHBondContact CA-O 3.46Å; V598-F625 HydrophobicContact CG1-CB 4.21Å; V598-F625 HydrophobicContact CG2-CB 4.37Å; V598-F625 HydrophobicContact CG2-CD2 4.21Å
599L95.4Very high89.9Confident0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-91.1113.8-179.1-173.665.1000109.7G563 A565 F602 A612 M615 I623 F625 V626 G627G563-L599 CarbonylContact O-C 3.22Å; G563-L599 WeakPolarHBondContact O-CA 3.21Å; A565-L599 HydrophobicContact CB-CD1 4.01Å; A565-L599 HydrophobicContact CB-CD2 4.4Å; A565-L599 HydrophobicContact CB-CG 4.1Å; L599-F602 HydrophobicContact CD2-CD2 3.74Å; L599-F602 HydrophobicContact CD2-CE2 3.98Å; L599-F602 HydrophobicContact CG-CD2 4.34Å; L599-A612 HydrophobicContact CD2-CB 3.77Å; L599-M615 HydrophobicContact CD1-CE 4.12Å; L599-M615 HydrophobicContact CD1-SD 3.93Å; L599-I623 HydrophobicContact CB-CG2 3.97Å; L599-I623 HydrophobicContact CD2-CD1 4.23Å; L599-F625 PolarHBondContact N-O 3.32Å; L599-V626 CarbonylContact O-C 3.57Å; L599-V626 VanDerWaalsContact O-CA 3.27Å; L599-V626 WeakPolarHBondContact O-CA 3.43Å; L599-G627 PolarHBondContact O-N 3.17Å
600T96.2Very high90.4Very high2 Ų243.9 Ų43.91%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-108.2169.5-172.571.60000112.2V441 N446 V562 G563 A565 V598 F602V441-T600 WeakPolarHBondContact O-CB 3.19Å; V441-T600 WeakPolarHBondContact O-CG2 3.44Å; V441-T600 PolarHBondContact O-OG1 3.45Å; N446-T600 WeakPolarHBondContact ND2-CG2 3.29Å; V562-T600 HydrophobicContact CG1-CG2 3.44Å; V562-T600 VanDerWaalsContact CG1-CG2 3.44Å; G563-T600 PolarHBondContact O-N 2.91Å; G563-T600 PolarHBondContact O-OG1 2.74Å; A565-T600 WeakPolarHBondContact CB-O 3.45Å; A565-T600 PolarHBondContact N-O 3.11Å; V598-T600 HydrophobicContact CG1-CG2 4.01Å; T600-F602 PolarHBondContact O-N 3.47Å
601K94.9Very high90.8Very high69 Ų6935.3 Ų35.330%0.318%0.179SC..  trans56.630.8179.2-52.1-177.2-174.2170.90112.3G440 E564 L566 D603 T604 G627G440-K601 WeakPolarHBondContact O-CE 3.38Å; G440-K601 PolarHBondContact O-NZ 3.43Å; E564-K601 HydrophobicContact CB-CD 4.1Å; E564-K601 HydrophobicContact CB-CG 4.45Å; E564-K601 WeakPolarHBondContact OE2-CD 3.34Å; E564-K601 WeakPolarHBondContact OE2-CE 3.36Å; E564-K601 IonicContact OE2-NZ 2.82Å; E564-K601 PolarHBondContact OE2-NZ 3.03Å; L566-K601 HydrophobicContact CD1-CB 4.44Å; L566-K601 HydrophobicContact CD1-CD 4.01Å; K601-D603 VanDerWaalsContact C-OD1 3.29Å; K601-D603 WeakPolarHBondContact CA-OD1 3.43Å; K601-D603 PolarHBondContact O-N 3Å; K601-T604 HydrophobicContact CB-CG2 4.18Å; K601-T604 PolarHBondContact O-N 2.92Å; K601-T604 PolarHBondContact O-OG1 2.84Å; K601-G627 PolarHBondContact N-O 3.46Å
602F92.4Very high91Very high18 Ų1833.1 Ų33.18%0.07917%0.165CC..G310 helixtrans-67-24.6-178.5-163.3-92.6000111.6V296 A565 L599 T600 T604 I605 V609 V626 G627 T628 V643V296-F602 HydrophobicContact CG1-CD1 4.2Å; V296-F602 HydrophobicContact CG1-CE1 3.71Å; V296-F602 HydrophobicContact CG1-CZ 4.43Å; A565-F602 HydrophobicContact CB-CD2 4.12Å; L599-F602 HydrophobicContact CD2-CD2 3.74Å; L599-F602 HydrophobicContact CD2-CE2 3.98Å; L599-F602 HydrophobicContact CG-CD2 4.34Å; T600-F602 PolarHBondContact O-N 3.47Å; F602-T604 PolarHBondContact O-N 2.78Å; F602-I605 HydrophobicContact CD2-CD1 3.9Å; F602-I605 HydrophobicContact CD2-CG1 4.49Å; F602-I605 HydrophobicContact CE2-CD1 3.85Å; F602-I605 HydrophobicContact CG-CD1 4.43Å; F602-I605 HydrophobicContact CZ-CD1 4.34Å; F602-I605 WeakPolarHBondContact O-CG1 3.47Å; F602-V609 HydrophobicContact CE1-CG1 4.32Å; F602-V609 HydrophobicContact CE2-CB 4.29Å; F602-V609 HydrophobicContact CE2-CG1 3.93Å; F602-V609 HydrophobicContact CZ-CB 4.21Å; F602-V609 HydrophobicContact CZ-CG1 3.47Å; F602-V609 VanDerWaalsContact CZ-CG1 3.47Å; F602-V626 HydrophobicContact CB-CG1 3.46Å; F602-V626 VanDerWaalsContact CB-CG1 3.46Å; F602-V626 HydrophobicContact CD1-CG1 4.07Å; F602-V626 HydrophobicContact CD2-CG1 3.76Å; F602-V626 HydrophobicContact CG-CG1 3.49Å; F602-V626 VanDerWaalsContact CG-CG1 3.49Å; F602-G627 WeakPolarHBondContact CB-O 3.35Å; F602-G627 PolarHBondContact N-O 3.49Å; F602-T628 HydrophobicContact CB-CG2 4.39Å; F602-V643 HydrophobicContact CZ-CG2 4.49Å
603D91Very high91Very high85 Ų8530.1 Ų30.146%0.45515%0.154SC..G310 helixtrans-63.7-11.6171.154.4-60.6000114.6K601 G629K601-D603 VanDerWaalsContact C-OD1 3.29Å; K601-D603 WeakPolarHBondContact CA-OD1 3.43Å; K601-D603 PolarHBondContact O-N 3Å; D603-G629 PolarHBondContact OD1-N 3.07Å; D603-G629 VanDerWaalsContact OD1-N 3.12Å
604T91.3Very high91Very high64 Ų6427.1 Ų27.139%0.39314%0.138SC..G310 helixtrans-103.8-4.6-173.367.80000114.7L566 K601 F602L566-T604 WeakPolarHBondContact CD1-OG1 3.44Å; L566-T604 WeakPolarHBondContact CD2-OG1 3.37Å; L566-T604 VanDerWaalsContact CG-OG1 3.27Å; L566-T604 WeakPolarHBondContact CG-OG1 3.28Å; K601-T604 HydrophobicContact CB-CG2 4.18Å; K601-T604 PolarHBondContact O-N 2.92Å; K601-T604 PolarHBondContact O-OG1 2.84Å; F602-T604 PolarHBondContact O-N 2.78Å
605I86.2Confident90.8Very high10 Ų1027.1 Ų27.15%0.05114%0.138CC..SBendtrans-110.82-169.453.4144.8000114.8A565 L566 F602 D607 K608 V609A565-I605 HydrophobicContact CB-CD1 3.73Å; A565-I605 HydrophobicContact CB-CG1 3.96Å; A565-I605 HydrophobicContact CB-CG2 3.97Å; L566-I605 HydrophobicContact CD2-CG2 3.67Å; L566-I605 HydrophobicContact CG-CG2 3.95Å; F602-I605 HydrophobicContact CD2-CD1 3.9Å; F602-I605 HydrophobicContact CD2-CG1 4.49Å; F602-I605 HydrophobicContact CE2-CD1 3.85Å; F602-I605 HydrophobicContact CG-CD1 4.43Å; F602-I605 HydrophobicContact CZ-CD1 4.34Å; F602-I605 WeakPolarHBondContact O-CG1 3.47Å; I605-D607 PolarHBondContact O-N 2.93Å; I605-K608 HydrophobicContact CB-CB 4.43Å; I605-K608 WeakPolarHBondContact CD1-O 3.12Å; I605-K608 WeakPolarHBondContact O-CB 3.19Å; I605-K608 PolarHBondContact O-N 2.8Å; I605-V609 HydrophobicContact CD1-CB 4.22Å; I605-V609 HydrophobicContact CD1-CG1 3.81Å
606D83.8Confident90.6Very high130 Ų13025.9 Ų25.970%0.69513%0.132SC*.THydrogen-bonded Turntrans46-107.4-174.9-60.3-37.4000111.7
607D81.2Confident90.3Very high50 Ų5028.3 Ų28.327%0.26714%0.141SC..THydrogen-bonded Turntrans-100.6-1.1179.763.4-7000114.3K364 I605 V609K364-D607 HydrophobicContact CD-CB 4.46Å; K364-D607 IonicContact NZ-OD2 2.91Å; K364-D607 PolarHBondContact NZ-OD2 3.11Å; I605-D607 PolarHBondContact O-N 2.93Å; D607-V609 PolarHBondContact O-N 3.33Å
608K86.3Confident89.8Confident111 Ų11130.9 Ų30.948%0.48315%0.154SC..  trans-81.954.5-178.5-59.7-176-179.3176.50112.4K364 N365 I605 G610K364-K608 CarbonylContact O-C 3.32Å; K364-K608 VanDerWaalsContact O-C 3.26Å; K364-K608 WeakPolarHBondContact O-CA 3.39Å; N365-K608 HydrophobicContact CB-CB 4.03Å; I605-K608 HydrophobicContact CB-CB 4.43Å; I605-K608 WeakPolarHBondContact CD1-O 3.12Å; I605-K608 WeakPolarHBondContact O-CB 3.19Å; I605-K608 PolarHBondContact O-N 2.8Å; K608-G610 PolarHBondContact O-N 3.03Å
609V87.3Confident89.1Confident2 Ų231.8 Ų31.81%0.01216%0.16CC..THydrogen-bonded Turntrans-78.53.8-172.7-59.30000114.4F602 I605 D607 A611 A612 V643 L647F602-V609 HydrophobicContact CE1-CG1 4.32Å; F602-V609 HydrophobicContact CE2-CB 4.29Å; F602-V609 HydrophobicContact CE2-CG1 3.93Å; F602-V609 HydrophobicContact CZ-CB 4.21Å; F602-V609 HydrophobicContact CZ-CG1 3.47Å; F602-V609 VanDerWaalsContact CZ-CG1 3.47Å; I605-V609 HydrophobicContact CD1-CB 4.22Å; I605-V609 HydrophobicContact CD1-CG1 3.81Å; D607-V609 PolarHBondContact O-N 3.33Å; V609-A611 PolarHBondContact O-N 3.01Å; V609-A611 VanDerWaalsContact O-N 3.12Å; V609-A612 WeakPolarHBondContact O-CB 3.5Å; V609-A612 PolarHBondContact O-N 3.1Å; V609-A612 VanDerWaalsContact O-N 3.09Å; V609-V643 HydrophobicContact CB-CG1 4.07Å; V609-V643 HydrophobicContact CG2-CG1 3.81Å; V609-L647 HydrophobicContact CG2-CB 3.85Å; V609-L647 HydrophobicContact CG2-CD1 4.31Å
610G88.9Confident88.6Confident0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-64.2-17.5-172.100000116.3K364 N365 V366 K608 A612 I613 S614K364-G610 VanDerWaalsContact O-CA 3.31Å; K364-G610 WeakPolarHBondContact O-CA 3.33Å; K364-G610 PolarHBondContact O-N 3.4Å; N365-G610 CarbonylContact O-C 3.35Å; N365-G610 WeakPolarHBondContact O-CA 3.47Å; V366-G610 VanDerWaalsContact CG2-CA 3.4Å; K608-G610 PolarHBondContact O-N 3.03Å; G610-A612 PolarHBondContact O-N 3.41Å; G610-I613 PolarHBondContact O-N 3.2Å; G610-S614 PolarHBondContact O-N 3.45Å; G610-S614 VanDerWaalsContact O-N 3.1Å; G610-S614 PolarHBondContact O-OG 2.85Å
611A89.9Confident88.1Confident0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-58.5-38171.700000111.5N365 A565 V567 V609 I613 S614 M615N365-A611 PolarHBondContact O-N 3.22Å; A565-A611 WeakPolarHBondContact O-CB 3.5Å; V567-A611 VanDerWaalsContact O-CB 3.25Å; V567-A611 WeakPolarHBondContact O-CB 3.45Å; V609-A611 PolarHBondContact O-N 3.01Å; V609-A611 VanDerWaalsContact O-N 3.12Å; A611-I613 PolarHBondContact O-N 2.92Å; A611-S614 PolarHBondContact O-N 3.36Å; A611-M615 VanDerWaalsContact O-CG 3.31Å; A611-M615 WeakPolarHBondContact O-CG 3.27Å; A611-M615 PolarHBondContact O-N 2.68Å
612A90.9Very high88Confident0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-58.5-48.1177.600000111.5L409 L599 V609 G610 S614 M615 T616 I623L409-A612 HydrophobicContact CD2-CB 4.27Å; L599-A612 HydrophobicContact CD2-CB 3.77Å; V609-A612 WeakPolarHBondContact O-CB 3.5Å; V609-A612 PolarHBondContact O-N 3.1Å; V609-A612 VanDerWaalsContact O-N 3.09Å; G610-A612 PolarHBondContact O-N 3.41Å; A612-S614 VanDerWaalsContact C-N 3.34Å; A612-S614 PolarHBondContact O-N 2.85Å; A612-M615 PolarHBondContact O-N 3.37Å; A612-T616 WeakPolarHBondContact O-CG2 3.28Å; A612-T616 PolarHBondContact O-N 3.38Å; A612-T616 VanDerWaalsContact O-N 3.12Å; A612-T616 PolarHBondContact O-OG1 3.44Å; A612-I623 HydrophobicContact CB-CD1 3.62Å
613I91.6Very high88Confident0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-60.5-45.8177.5-55.6-58.7000110.8V366 L374 L405 L409 G610 A611 M615 T616 Y617 L647V366-I613 HydrophobicContact CG1-CG2 4.32Å; V366-I613 HydrophobicContact CG2-CB 4.45Å; V366-I613 HydrophobicContact CG2-CG1 4.48Å; L374-I613 HydrophobicContact CD1-CG2 4.16Å; L405-I613 HydrophobicContact CD2-CD1 3.89Å; L405-I613 HydrophobicContact CD2-CG1 4.06Å; L405-I613 HydrophobicContact CD2-CG2 3.75Å; L409-I613 HydrophobicContact CD1-CD1 3.57Å; L409-I613 HydrophobicContact CD2-CD1 3.8Å; L409-I613 HydrophobicContact CG-CD1 3.49Å; L409-I613 VanDerWaalsContact CG-CD1 3.49Å; G610-I613 PolarHBondContact O-N 3.2Å; A611-I613 PolarHBondContact O-N 2.92Å; I613-M615 VanDerWaalsContact C-N 3.33Å; I613-M615 PolarHBondContact O-N 3.23Å; I613-T616 PolarHBondContact O-N 3.44Å; I613-T616 PolarHBondContact O-OG1 3.17Å; I613-Y617 WeakPolarHBondContact O-CB 3.39Å; I613-Y617 PolarHBondContact O-N 2.52Å; I613-L647 HydrophobicContact CD1-CD2 4.17Å; I613-L647 HydrophobicContact CG1-CD2 3.66Å
614S91Very high88.1Confident0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-62.7-42-175.9-53.90000111.4A367 G610 A611 A612 I618A367-S614 PolarHBondContact N-OG 3.18Å; G610-S614 PolarHBondContact O-N 3.45Å; G610-S614 VanDerWaalsContact O-N 3.1Å; G610-S614 PolarHBondContact O-OG 2.85Å; A611-S614 PolarHBondContact O-N 3.36Å; A612-S614 VanDerWaalsContact C-N 3.34Å; A612-S614 PolarHBondContact O-N 2.85Å; S614-I618 WeakPolarHBondContact O-CG1 3.43Å
615M89.4Confident88.3Confident0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-69.1-44.6178.9-66.3-176.3-173.200112.5V567 A571 L575 I597 L599 A611 A612 I613 T619V567-M615 HydrophobicContact CG1-CE 3.68Å; A571-M615 HydrophobicContact CB-CE 3.9Å; A571-M615 HydrophobicContact CB-CG 3.87Å; L575-M615 HydrophobicContact CD1-CB 3.5Å; L575-M615 VanDerWaalsContact CD1-CB 3.5Å; L575-M615 HydrophobicContact CD1-CG 3.54Å; L575-M615 HydrophobicContact CD1-SD 4.38Å; I597-M615 HydrophobicContact CD1-CB 3.87Å; I597-M615 HydrophobicContact CG2-SD 4Å; L599-M615 HydrophobicContact CD1-CE 4.12Å; L599-M615 HydrophobicContact CD1-SD 3.93Å; A611-M615 VanDerWaalsContact O-CG 3.31Å; A611-M615 WeakPolarHBondContact O-CG 3.27Å; A611-M615 PolarHBondContact O-N 2.68Å; A612-M615 PolarHBondContact O-N 3.37Å; I613-M615 VanDerWaalsContact C-N 3.33Å; I613-M615 PolarHBondContact O-N 3.23Å; M615-T619 WeakPolarHBondContact O-CB 3.43Å; M615-T619 WeakPolarHBondContact O-CG2 3.39Å; M615-T619 PolarHBondContact O-N 3.19Å; M615-T619 PolarHBondContact O-OG1 3.2Å
616T89.3Confident88.7Confident3 Ų325.9 Ų25.92%0.01814%0.135CC..Hα-helixtrans-73.6-34.9-178.958.90000112.5I408 L409 A612 I613 I618 G620 I623I408-T616 WeakPolarHBondContact CG2-OG1 3.45Å; L409-T616 HydrophobicContact CD2-CG2 3.95Å; A612-T616 WeakPolarHBondContact O-CG2 3.28Å; A612-T616 PolarHBondContact O-N 3.38Å; A612-T616 VanDerWaalsContact O-N 3.12Å; A612-T616 PolarHBondContact O-OG1 3.44Å; I613-T616 PolarHBondContact O-N 3.44Å; I613-T616 PolarHBondContact O-OG1 3.17Å; T616-I618 PolarHBondContact O-N 2.88Å; T616-G620 VanDerWaalsContact O-CA 3.23Å; T616-G620 WeakPolarHBondContact O-CA 3.3Å; T616-G620 PolarHBondContact O-N 3.23Å; T616-I623 HydrophobicContact CG2-CD1 3.78Å; T616-I623 HydrophobicContact CG2-CG1 3.68Å
617Y87.8Confident89.3Confident50 Ų5019.7 Ų19.720%0.19610%0.103CC..Hα-helixtrans-60.5-46.2179.2-176.8-89.3000111.9I370 Q373 L374 I408 I613I370-Y617 HydrophobicContact CD1-CD1 3.47Å; I370-Y617 VanDerWaalsContact CD1-CD1 3.47Å; I370-Y617 HydrophobicContact CD1-CE1 3.72Å; I370-Y617 HydrophobicContact CD1-CG 4.37Å; I370-Y617 HydrophobicContact CG1-CD1 4.3Å; I370-Y617 HydrophobicContact CG2-CD1 3.88Å; I370-Y617 HydrophobicContact CG2-CD2 4.11Å; I370-Y617 HydrophobicContact CG2-CE1 4.36Å; I370-Y617 HydrophobicContact CG2-CG 3.72Å; Q373-Y617 WeakPolarHBondContact CB-OH 3.34Å; Q373-Y617 PolarHBondContact OE1-OH 3.04Å; L374-Y617 HydrophobicContact CD2-CE2 4.31Å; I408-Y617 HydrophobicContact CD1-CD2 3.64Å; I408-Y617 HydrophobicContact CD1-CE2 4.07Å; I408-Y617 HydrophobicContact CG1-CD2 4.12Å; I408-Y617 HydrophobicContact CG2-CD2 4.27Å; I613-Y617 WeakPolarHBondContact O-CB 3.39Å; I613-Y617 PolarHBondContact O-N 2.52Å
618I83.4Confident90Very high54 Ų5419 Ų1928%0.27710%0.1SC..Hα-helixtrans-72.3-49.5-177.8-69.4-67.1000111.6I370 V572 V576 S614 T616I370-I618 HydrophobicContact CD1-CD1 3.79Å; I370-I618 HydrophobicContact CD1-CG1 4.16Å; V572-I618 HydrophobicContact CB-CG1 4.31Å; V572-I618 HydrophobicContact CG1-CD1 3.76Å; V572-I618 HydrophobicContact CG1-CG1 3.81Å; V572-I618 HydrophobicContact CG2-CG1 3.98Å; V576-I618 HydrophobicContact CG2-CG2 3.6Å; S614-I618 WeakPolarHBondContact O-CG1 3.43Å; T616-I618 PolarHBondContact O-N 2.88Å
619T82.1Confident90.3Very high20 Ų2014.6 Ų14.612%0.1239%0.086CC..Hα-helixtrans-80.2-30.5-173.160.30000112.6L575 M615 Q621L575-T619 HydrophobicContact CB-CG2 3.79Å; L575-T619 HydrophobicContact CD1-CG2 3.67Å; L575-T619 HydrophobicContact CD2-CG2 3.67Å; L575-T619 HydrophobicContact CG-CG2 3.9Å; M615-T619 WeakPolarHBondContact O-CB 3.43Å; M615-T619 WeakPolarHBondContact O-CG2 3.39Å; M615-T619 PolarHBondContact O-N 3.19Å; M615-T619 PolarHBondContact O-OG1 3.2Å; T619-Q621 PolarHBondContact O-N 3.39Å; T619-Q621 PolarHBondContact OG1-N 3.42Å; T619-Q621 VanDerWaalsContact OG1-N 3.11Å
620G85.1Confident90.7Very high26 Ų2622.6 Ų22.627%0.26812%0.123SC..  trans65.49.8-165.500000113.8T616T616-G620 VanDerWaalsContact O-CA 3.23Å; T616-G620 WeakPolarHBondContact O-CA 3.3Å; T616-G620 PolarHBondContact O-N 3.23Å
621Q87.1Confident91Very high49 Ų4925.9 Ų25.923%0.22914%0.143CC..  trans-95.2148.9-177.1-60-62.97.700111.8I594 D595 T619I594-Q621 VanDerWaalsContact O-CD 3.31Å; I594-Q621 WeakPolarHBondContact O-CG 3.08Å; I594-Q621 PolarHBondContact O-NE2 3.38Å; D595-Q621 PolarHBondContact O-OE1 2.6Å; T619-Q621 PolarHBondContact O-N 3.39Å; T619-Q621 PolarHBondContact OG1-N 3.42Å; T619-Q621 VanDerWaalsContact OG1-N 3.11Å
622P91.2Very high91.3Very high7 Ų726.4 Ų26.45%0.04515%0.145CC..  trans-61.9144.417615.6-24.5000112.9P411 V415 G596 I597 V624P411-P622 HydrophobicContact CB-CB 3.49Å; P411-P622 VanDerWaalsContact CB-CB 3.49Å; P411-P622 HydrophobicContact CB-CG 4.05Å; P411-P622 HydrophobicContact CG-CB 4.03Å; V415-P622 HydrophobicContact CB-CG 4.5Å; V415-P622 HydrophobicContact CG2-CG 3.62Å; G596-P622 CarbonylContact C-O 3.5Å; G596-P622 WeakPolarHBondContact CA-O 3.11Å; I597-P622 PolarHBondContact N-O 2.97Å; P622-V624 HydrophobicContact CB-CG2 4.34Å; P622-V624 HydrophobicContact CG-CG2 4.31Å; P622-V624 PolarHBondContact O-N 3.46Å
623I92.7Very high91.4Very high13 Ų1328 Ų287%0.06715%0.154CC..EExtended strand (participates in β ladder)trans-77.5109.9151.8-60.3168.5000107L409 I597 L599 A612 T616 F625 V626 L638L409-I623 HydrophobicContact CD2-CD1 4.38Å; I597-I623 HydrophobicContact CB-CG1 4.2Å; I597-I623 HydrophobicContact CG2-CG1 4.28Å; I597-I623 CarbonylContact O-C 3.59Å; I597-I623 WeakPolarHBondContact O-CA 3.22Å; L599-I623 HydrophobicContact CB-CG2 3.97Å; L599-I623 HydrophobicContact CD2-CD1 4.23Å; A612-I623 HydrophobicContact CB-CD1 3.62Å; T616-I623 HydrophobicContact CG2-CD1 3.78Å; T616-I623 HydrophobicContact CG2-CG1 3.68Å; I623-F625 WeakPolarHBondContact CG2-O 3.44Å; I623-V626 HydrophobicContact CG2-CG2 3.98Å; I623-L638 HydrophobicContact CB-CB 4.39Å; I623-L638 HydrophobicContact CB-CD2 4.08Å; I623-L638 HydrophobicContact CD1-CD1 4.2Å; I623-L638 HydrophobicContact CD1-CD2 4.01Å; I623-L638 HydrophobicContact CG2-CB 4.29Å; I623-L638 HydrophobicContact CG2-CD1 4.33Å
624V93.6Very high91.6Very high21 Ų2130 Ų3013%0.12716%0.164CC..EExtended strand (participates in β ladder)trans-81.2-41.9-176.5-175.30000110.5V415 I417 L560 I597 P622V415-V624 HydrophobicContact CB-CG2 4.33Å; V415-V624 HydrophobicContact CG1-CG1 4.16Å; V415-V624 HydrophobicContact CG1-CG2 4.17Å; V415-V624 HydrophobicContact CG2-CG2 4.5Å; I417-V624 HydrophobicContact CD1-CG1 3.81Å; L560-V624 HydrophobicContact CD2-CB 4.32Å; L560-V624 HydrophobicContact CD2-CG2 3.89Å; I597-V624 PolarHBondContact O-N 3Å; P622-V624 HydrophobicContact CB-CG2 4.34Å; P622-V624 HydrophobicContact CG-CG2 4.31Å; P622-V624 PolarHBondContact O-N 3.46Å
625F95.5Very high91.8Very high7 Ų730 Ų303%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-137.5149.6-179.7-62.2-65.8000111.7L293 I417 I450 W453 V598 L599 I623 L635L293-F625 HydrophobicContact CD1-CD1 3.37Å; L293-F625 HydrophobicContact CD1-CE1 3.33Å; I417-F625 HydrophobicContact CD1-CE2 3.54Å; I417-F625 HydrophobicContact CD1-CZ 3.67Å; I450-F625 HydrophobicContact CD1-CD2 3.59Å; I450-F625 HydrophobicContact CD1-CE2 3.77Å; I450-F625 HydrophobicContact CD1-CG 4.42Å; I450-F625 HydrophobicContact CG1-CD2 3.95Å; I450-F625 HydrophobicContact CG1-CE2 3.87Å; I450-F625 HydrophobicContact CG1-CG 4.5Å; I450-F625 HydrophobicContact CG1-CZ 4.38Å; I450-F625 HydrophobicContact CG2-CE2 4.47Å; W453-F625 HydrophobicContact CE3-CE1 4.34Å; W453-F625 AromaticContact CE3-CZ 3.95Å; W453-F625 HydrophobicContact CE3-CZ 3.95Å; W453-F625 HydrophobicContact CH2-CE1 4.42Å; W453-F625 HydrophobicContact CH2-CZ 4.05Å; W453-F625 HydrophobicContact CZ3-CE1 4.27Å; W453-F625 AromaticContact CZ3-CZ 3.65Å; W453-F625 HydrophobicContact CZ3-CZ 3.65Å; V598-F625 WeakPolarHBondContact CA-O 3.46Å; V598-F625 HydrophobicContact CG1-CB 4.21Å; V598-F625 HydrophobicContact CG2-CB 4.37Å; V598-F625 HydrophobicContact CG2-CD2 4.21Å; L599-F625 PolarHBondContact N-O 3.32Å; I623-F625 WeakPolarHBondContact CG2-O 3.44Å; F625-L635 HydrophobicContact CB-CD1 3.85Å; F625-L635 HydrophobicContact CB-CG 4.4Å; F625-L635 HydrophobicContact CD1-CD1 4.41Å; F625-L635 HydrophobicContact CD1-CD2 4.01Å; F625-L635 HydrophobicContact CD1-CG 4.12Å; F625-L635 HydrophobicContact CE1-CD2 4.28Å; F625-L635 HydrophobicContact CG-CD1 4.22Å; F625-L635 HydrophobicContact CG-CD2 4.41Å; F625-L635 HydrophobicContact CG-CG 4.42Å
626V95.6Very high92Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-118.9121.7171.2-172.20000109.3V296 L599 F602 I623 T628 R636 L638V296-V626 HydrophobicContact CG2-CB 3.71Å; V296-V626 HydrophobicContact CG2-CG1 3.84Å; V296-V626 HydrophobicContact CG2-CG2 4.05Å; L599-V626 CarbonylContact O-C 3.57Å; L599-V626 VanDerWaalsContact O-CA 3.27Å; L599-V626 WeakPolarHBondContact O-CA 3.43Å; F602-V626 HydrophobicContact CB-CG1 3.46Å; F602-V626 VanDerWaalsContact CB-CG1 3.46Å; F602-V626 HydrophobicContact CD1-CG1 4.07Å; F602-V626 HydrophobicContact CD2-CG1 3.76Å; F602-V626 HydrophobicContact CG-CG1 3.49Å; F602-V626 VanDerWaalsContact CG-CG1 3.49Å; I623-V626 HydrophobicContact CG2-CG2 3.98Å; V626-T628 HydrophobicContact CG1-CG2 4.12Å; V626-R636 PolarHBondContact N-O 3.18Å; V626-R636 PolarHBondContact O-N 3.46Å; V626-L638 HydrophobicContact CG2-CB 4.05Å; V626-L638 HydrophobicContact CG2-CD1 3.67Å
627G95.9Very high92.1Very high1 Ų135.6 Ų35.61%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-90.7116.6174.800000111L599 K601 F602 D634L599-G627 PolarHBondContact O-N 3.17Å; K601-G627 PolarHBondContact N-O 3.46Å; F602-G627 WeakPolarHBondContact CB-O 3.35Å; F602-G627 PolarHBondContact N-O 3.49Å; G627-D634 WeakPolarHBondContact CA-O 3.22Å
628T94.8Very high92Very high35 Ų3534.8 Ų34.822%0.21519%0.19CC..  trans-112.533-17260.40000112.8V296 F602 V626 D634 R636V296-T628 HydrophobicContact CG2-CG2 4.17Å; F602-T628 HydrophobicContact CB-CG2 4.39Å; V626-T628 HydrophobicContact CG1-CG2 4.12Å; T628-D634 PolarHBondContact N-O 3.27Å; T628-R636 HydrophobicContact CG2-CB 4.37Å; T628-R636 HydrophobicContact CG2-CG 3.87Å
629G94.4Very high92.2Very high18 Ų1834.6 Ų34.619%0.18619%0.19CC..SBendtrans152.1-162.6-173.800000113.3K449 D603 D634K449-G629 PolarHBondContact NZ-O 3.21Å; D603-G629 PolarHBondContact OD1-N 3.07Å; D603-G629 VanDerWaalsContact OD1-N 3.12Å; G629-D634 WeakPolarHBondContact CA-OD2 3.28Å
630Q94.8Very high92.4Very high171 Ų17134.3 Ų34.380%0.79919%0.189SC*.SBendtrans-112.4-15.2-172.7-62.5-16542.900114.5D634Q630-D634 PolarHBondContact N-OD2 3.36Å
631T95.5Very high92.6Very high68 Ų6841.1 Ų41.142%0.41721%0.207SC..SBendtrans-82.3168.5179.676.60000111.5K449 N633 D634K449-T631 WeakPolarHBondContact CD-O 3.28Å; K449-T631 WeakPolarHBondContact CE-O 3.08Å; T631-N633 PolarHBondContact O-N 3.26Å; T631-D634 WeakPolarHBondContact CA-OD2 3.42Å; T631-D634 WeakPolarHBondContact CB-OD2 3.42Å; T631-D634 PolarHBondContact N-OD2 3.08Å; T631-D634 PolarHBondContact O-N 3.07Å; T631-D634 PolarHBondContact OG1-OD1 2.94Å; T631-D634 PolarHBondContact OG1-OD2 3.36Å
632Y95.8Very high92.5Very high12 Ų1239.9 Ų39.95%0.04721%0.205CC..THydrogen-bonded Turntrans-65.4-28.6178.5-58.7-28.1000113.2A448 K449 Y452 H480 R483 L484 L487 D634A448-Y632 HydrophobicContact CB-CE1 3.95Å; K449-Y632 HydrophobicContact CG-CD1 4.49Å; Y452-Y632 HydrophobicContact CD2-CD2 4.29Å; Y452-Y632 HydrophobicContact CG-CD2 4.3Å; Y452-Y632 HydrophobicContact CG-CG 4.28Å; H480-Y632 AromaticContact CE1-CE1 3.84Å; H480-Y632 AromaticContact ND1-CE1 3.37Å; H480-Y632 WeakPolarHBondContact ND1-CE1 3.46Å; H480-Y632 AromaticContact ND1-CZ 3.59Å; H480-Y632 PolarHBondContact ND1-OH 3.3Å; R483-Y632 HydrophobicContact CB-CE2 4.4Å; R483-Y632 WeakPolarHBondContact CD-OH 3.27Å; R483-Y632 HydrophobicContact CG-CE2 3.92Å; L484-Y632 HydrophobicContact CD2-CD2 3.95Å; L484-Y632 HydrophobicContact CD2-CE2 3.74Å; L484-Y632 HydrophobicContact CG-CE2 4.2Å; L487-Y632 HydrophobicContact CD1-CD2 3.86Å; L487-Y632 HydrophobicContact CD1-CE2 4.01Å; Y632-D634 VanDerWaalsContact C-N 3.28Å; Y632-D634 PolarHBondContact O-N 3.05Å
633N93.6Very high92.3Very high34 Ų3439.7 Ų39.718%0.18220%0.204CC..THydrogen-bonded Turntrans-79.6-10179.3-72.10.5000114V286 S287 M289 Y452 T631 L635V286-N633 VanDerWaalsContact CG1-CG 3.44Å; V286-N633 WeakPolarHBondContact CG1-ND2 3.38Å; V286-N633 WeakPolarHBondContact CG1-OD1 3.19Å; S287-N633 PolarHBondContact N-ND2 3.15Å; S287-N633 PolarHBondContact O-ND2 3.44Å; S287-N633 PolarHBondContact O-OD1 2.93Å; M289-N633 VanDerWaalsContact CE-C 3.5Å; M289-N633 VanDerWaalsContact CE-CA 3.46Å; M289-N633 HydrophobicContact CE-CB 4.43Å; M289-N633 WeakPolarHBondContact CE-O 3.32Å; Y452-N633 WeakPolarHBondContact CE1-OD1 3.29Å; T631-N633 PolarHBondContact O-N 3.26Å; N633-L635 PolarHBondContact O-N 2.93Å
634D95.5Very high92.2Very high40 Ų4039.1 Ų39.121%0.21420%0.201CC..  trans-84.450-179-58.2-31.8000111.1K449 G627 T628 G629 Q630 T631 Y632K449-D634 PolarHBondContact NZ-O 3.39Å; G627-D634 WeakPolarHBondContact CA-O 3.22Å; T628-D634 PolarHBondContact N-O 3.27Å; G629-D634 WeakPolarHBondContact CA-OD2 3.28Å; Q630-D634 PolarHBondContact N-OD2 3.36Å; T631-D634 WeakPolarHBondContact CA-OD2 3.42Å; T631-D634 WeakPolarHBondContact CB-OD2 3.42Å; T631-D634 PolarHBondContact N-OD2 3.08Å; T631-D634 PolarHBondContact O-N 3.07Å; T631-D634 PolarHBondContact OG1-OD1 2.94Å; T631-D634 PolarHBondContact OG1-OD2 3.36Å; Y632-D634 VanDerWaalsContact C-N 3.28Å; Y632-D634 PolarHBondContact O-N 3.05Å
635L95.6Very high92Very high1 Ų139.7 Ų39.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-129.9126.3177.1-165.474.3000108.8M289 L293 K449 I450 W453 F625 N633M289-L635 HydrophobicContact CE-CB 3.81Å; M289-L635 VanDerWaalsContact CE-O 3.29Å; M289-L635 WeakPolarHBondContact CE-O 3.44Å; L293-L635 HydrophobicContact CD1-CD2 3.95Å; L293-L635 HydrophobicContact CD1-CG 4.02Å; K449-L635 HydrophobicContact CB-CB 4.19Å; K449-L635 HydrophobicContact CB-CD1 4.23Å; K449-L635 HydrophobicContact CB-CD2 4.18Å; K449-L635 HydrophobicContact CB-CG 4.45Å; K449-L635 HydrophobicContact CD-CB 4.2Å; K449-L635 HydrophobicContact CD-CD1 4.24Å; I450-L635 HydrophobicContact CG1-CD1 4.43Å; I450-L635 HydrophobicContact CG1-CD2 3.78Å; W453-L635 HydrophobicContact CB-CD2 4.33Å; F625-L635 HydrophobicContact CB-CD1 3.85Å; F625-L635 HydrophobicContact CB-CG 4.4Å; F625-L635 HydrophobicContact CD1-CD1 4.41Å; F625-L635 HydrophobicContact CD1-CD2 4.01Å; F625-L635 HydrophobicContact CD1-CG 4.12Å; F625-L635 HydrophobicContact CE1-CD2 4.28Å; F625-L635 HydrophobicContact CG-CD1 4.22Å; F625-L635 HydrophobicContact CG-CD2 4.41Å; F625-L635 HydrophobicContact CG-CG 4.42Å; N633-L635 PolarHBondContact O-N 2.93Å
636R92.9Very high91.6Very high83 Ų8339.8 Ų39.831%0.31321%0.213SC..EExtended strand (participates in β ladder)trans-134.1161.2-173.6-61.4-64.2-179.2129.7-2.1111.3L294 V296 V626 T628L294-R636 VanDerWaalsContact CB-NH1 3.28Å; L294-R636 WeakPolarHBondContact O-CA 3.25Å; L294-R636 WeakPolarHBondContact O-CB 3.05Å; L294-R636 VanDerWaalsContact O-CD 3.27Å; L294-R636 WeakPolarHBondContact O-CD 3.47Å; V296-R636 HydrophobicContact CG2-CB 3.38Å; V296-R636 HydrophobicContact CG2-CG 4.04Å; V626-R636 PolarHBondContact N-O 3.18Å; V626-R636 PolarHBondContact O-N 3.46Å; T628-R636 HydrophobicContact CG2-CB 4.37Å; T628-R636 HydrophobicContact CG2-CG 3.87Å
637S90.6Very high91.2Very high38 Ų3839.8 Ų39.827%0.26621%0.213SC..BIsolated β-bridgetrans-88.1153.7167.761.40000110.8L293 L294 S295 V296L293-S637 PolarHBondContact O-OG 3.44Å; L294-S637 PolarHBondContact O-N 3.36Å; L294-S637 PolarHBondContact O-OG 3.23Å; S295-S637 CarbonylContact C-O 3.5Å; S295-S637 WeakPolarHBondContact CA-O 3.23Å; S295-S637 VanDerWaalsContact CA-OG 3.3Å; S295-S637 WeakPolarHBondContact CA-OG 3.38Å; S295-S637 PolarHBondContact N-OG 3.45Å; V296-S637 PolarHBondContact N-O 3.38Å
638L87.4Confident90.9Very high33 Ų3340.2 Ų40.217%0.17322%0.215CC..  trans-82.4118.8179.7-171.488.4000111.1L409 I623 V626 A640 V643L409-L638 HydrophobicContact CB-CD2 4.5Å; L409-L638 HydrophobicContact CD2-CD2 4.09Å; I623-L638 HydrophobicContact CB-CB 4.39Å; I623-L638 HydrophobicContact CB-CD2 4.08Å; I623-L638 HydrophobicContact CD1-CD1 4.2Å; I623-L638 HydrophobicContact CD1-CD2 4.01Å; I623-L638 HydrophobicContact CG2-CB 4.29Å; I623-L638 HydrophobicContact CG2-CD1 4.33Å; V626-L638 HydrophobicContact CG2-CB 4.05Å; V626-L638 HydrophobicContact CG2-CD1 3.67Å; L638-A640 PolarHBondContact O-N 3.22Å; L638-V643 HydrophobicContact CD1-CG2 3.81Å; L638-V643 HydrophobicContact CG-CG2 4.37Å
639N85.8Confident90.4Very high50 Ų5044.8 Ų44.827%0.26723%0.232SC..  trans-90.798.7165.3-176.2-16.7000110.1V296 D297 R641 A642 V643V296-N639 WeakPolarHBondContact O-CB 3.38Å; D297-N639 PolarHBondContact OD1-ND2 3.39Å; D297-N639 VanDerWaalsContact OD1-ND2 3.08Å; N639-R641 PolarHBondContact O-N 2.61Å; N639-R641 PolarHBondContact OD1-N 3.21Å; N639-R641 VanDerWaalsContact OD1-N 3.16Å; N639-A642 HydrophobicContact CB-CB 3.91Å; N639-A642 PolarHBondContact O-N 3.4Å; N639-A642 PolarHBondContact OD1-N 3.15Å; N639-V643 WeakPolarHBondContact O-CG2 3.37Å; N639-V643 PolarHBondContact O-N 2.92Å
640A87.8Confident88.7Confident13 Ų1348.8 Ų48.811%0.10726%0.263CS..Hα-helixtrans-55.2-37.3-178.100000113L409 Q410 L638 V644L409-A640 HydrophobicContact CB-CB 3.67Å; L409-A640 HydrophobicContact CD1-CB 4.27Å; Q410-A640 HydrophobicContact CG-CB 4.43Å; L638-A640 PolarHBondContact O-N 3.22Å; A640-V644 VanDerWaalsContact O-CG2 3.3Å; A640-V644 WeakPolarHBondContact O-CG2 3.46Å; A640-V644 PolarHBondContact O-N 2.97Å
641R87.9Confident88.4Confident169 Ų16942.7 Ų42.764%0.63824%0.236SC*.Hα-helixtrans-70.9-41.9-179.5-68.7-173.9-177.3-83.50.7111.8N639 V644 G645N639-R641 PolarHBondContact O-N 2.61Å; N639-R641 PolarHBondContact OD1-N 3.21Å; N639-R641 VanDerWaalsContact OD1-N 3.16Å; R641-V644 PolarHBondContact O-N 3.24Å; R641-G645 PolarHBondContact O-N 3.48Å
642A85.9Confident88Confident23 Ų2341.3 Ų41.319%0.1923%0.227CC..Hα-helixtrans-62.9-43.6176.900000111.3N639 G645 A646N639-A642 HydrophobicContact CB-CB 3.91Å; N639-A642 PolarHBondContact O-N 3.4Å; N639-A642 PolarHBondContact OD1-N 3.15Å; A642-G645 PolarHBondContact O-N 3.19Å; A642-A646 PolarHBondContact O-N 3.43Å
643V87.6Confident87.6Confident4 Ų442.9 Ų42.92%0.02424%0.237CC..Hα-helixtrans-62.6-46.1177.8172.90000111.6L409 F602 V609 L638 N639 G645 A646 L647L409-V643 HydrophobicContact CD1-CB 4.02Å; L409-V643 HydrophobicContact CD1-CG1 3.74Å; F602-V643 HydrophobicContact CZ-CG2 4.49Å; V609-V643 HydrophobicContact CB-CG1 4.07Å; V609-V643 HydrophobicContact CG2-CG1 3.81Å; L638-V643 HydrophobicContact CD1-CG2 3.81Å; L638-V643 HydrophobicContact CG-CG2 4.37Å; N639-V643 WeakPolarHBondContact O-CG2 3.37Å; N639-V643 PolarHBondContact O-N 2.92Å; V643-G645 VanDerWaalsContact C-N 3.34Å; V643-A646 PolarHBondContact O-N 2.96Å; V643-L647 WeakPolarHBondContact O-CB 3.43Å; V643-L647 PolarHBondContact O-N 3.08Å
644V90.6Very high87.2Confident0 Ų043.5 Ų43.50%024%0.24CC..Hα-helixtrans-67.3-37.2176.8178.90000111.3Q402 L405 V406 L409 A640 R641 A646 L647 M648Q402-V644 HydrophobicContact CB-CG1 4.26Å; Q402-V644 HydrophobicContact CG-CG1 3.75Å; L405-V644 HydrophobicContact CB-CG1 3.86Å; L405-V644 HydrophobicContact CB-CG2 3.74Å; L405-V644 HydrophobicContact CD1-CG1 4.12Å; V406-V644 HydrophobicContact CG2-CB 3.92Å; V406-V644 HydrophobicContact CG2-CG1 4.1Å; V406-V644 HydrophobicContact CG2-CG2 3.78Å; L409-V644 HydrophobicContact CD1-CG2 3.81Å; A640-V644 VanDerWaalsContact O-CG2 3.3Å; A640-V644 WeakPolarHBondContact O-CG2 3.46Å; A640-V644 PolarHBondContact O-N 2.97Å; R641-V644 PolarHBondContact O-N 3.24Å; V644-A646 PolarHBondContact O-N 3.32Å; V644-L647 PolarHBondContact O-N 3.04Å; V644-M648 HydrophobicContact CG1-CG 3.91Å; V644-M648 WeakPolarHBondContact O-CB 3.48Å; V644-M648 VanDerWaalsContact O-CG 3.23Å; V644-M648 WeakPolarHBondContact O-CG 3.35Å; V644-M648 PolarHBondContact O-N 3.32Å
645G88.2Confident86.7Confident34 Ų3443.7 Ų43.735%0.35124%0.242SC..Hα-helixtrans-57.8-47.2174.100000112.2R641 A642 V643 M648 K649R641-G645 PolarHBondContact O-N 3.48Å; A642-G645 PolarHBondContact O-N 3.19Å; V643-G645 VanDerWaalsContact C-N 3.34Å; G645-M648 PolarHBondContact O-N 3.04Å; G645-K649 PolarHBondContact O-N 3.1Å; G645-K649 VanDerWaalsContact O-N 3.15Å
646A86.5Confident86.1Confident9 Ų946.5 Ų46.57%0.07426%0.257CS..Hα-helixtrans-63.6-42175.200000112.2Y298 A642 V643 V644 M648 K649Y298-A646 HydrophobicContact CD2-CB 4.07Å; Y298-A646 HydrophobicContact CE2-CB 4.3Å; Y298-A646 HydrophobicContact CG-CB 4.31Å; A642-A646 PolarHBondContact O-N 3.43Å; V643-A646 PolarHBondContact O-N 2.96Å; V644-A646 PolarHBondContact O-N 3.32Å; A646-M648 VanDerWaalsContact C-N 3.31Å; A646-M648 PolarHBondContact O-N 3.27Å; A646-K649 PolarHBondContact O-N 2.91Å
647L88.8Confident85.6Confident0 Ų043.9 Ų43.90%025%0.253CS..Hα-helixtrans-62.9-36.1178.1-177.259.5000112.7H360 L361 K364 V366 L405 V609 I613 V643 V644H360-L647 PolarHBondContact CD2-O 3.32Å; H360-L647 PolarHBondContact NE2-O 3.48Å; L361-L647 HydrophobicContact CD2-CD1 4.21Å; L361-L647 HydrophobicContact CD2-CD2 3.91Å; L361-L647 HydrophobicContact CD2-CG 3.97Å; K364-L647 HydrophobicContact CB-CD1 3.34Å; K364-L647 HydrophobicContact CG-CD1 4.02Å; V366-L647 HydrophobicContact CG2-CD1 4.04Å; V366-L647 HydrophobicContact CG2-CD2 4.2Å; L405-L647 HydrophobicContact CD1-CD2 4.01Å; L405-L647 HydrophobicContact CD2-CD2 4.17Å; V609-L647 HydrophobicContact CG2-CB 3.85Å; V609-L647 HydrophobicContact CG2-CD1 4.31Å; I613-L647 HydrophobicContact CD1-CD2 4.17Å; I613-L647 HydrophobicContact CG1-CD2 3.66Å; V643-L647 WeakPolarHBondContact O-CB 3.43Å; V643-L647 PolarHBondContact O-N 3.08Å; V644-L647 PolarHBondContact O-N 3.04Å
648M88.6Confident85.2Confident10 Ų1044.4 Ų44.45%0.04925%0.252CS..Hα-helixtrans-90.6-3.4-177.1-63.4-57.4-64.300113.8M357 K398 L401 Q402 L405 V644 G645 A646M357-M648 HydrophobicContact SD-CE 4.13Å; K398-M648 HydrophobicContact CG-CE 3.57Å; L401-M648 HydrophobicContact CD2-CE 4.11Å; L401-M648 HydrophobicContact CD2-SD 4.39Å; L401-M648 HydrophobicContact CG-CE 4.44Å; Q402-M648 HydrophobicContact CB-CG 4.38Å; L405-M648 HydrophobicContact CD1-CG 4.36Å; L405-M648 HydrophobicContact CD1-SD 3.7Å; V644-M648 HydrophobicContact CG1-CG 3.91Å; V644-M648 WeakPolarHBondContact O-CB 3.48Å; V644-M648 VanDerWaalsContact O-CG 3.23Å; V644-M648 WeakPolarHBondContact O-CG 3.35Å; V644-M648 PolarHBondContact O-N 3.32Å; G645-M648 PolarHBondContact O-N 3.04Å; A646-M648 VanDerWaalsContact C-N 3.31Å; A646-M648 PolarHBondContact O-N 3.27Å
649K84.5Confident85Confident130 Ų13045.3 Ų45.357%0.56526%0.259SS*.  trans-77.2128.6170.6-163.9172.8-177.8177.30108.4H360 K364 G645 A646H360-K649 PolarHBondContact CE1-O 3.22Å; K364-K649 WeakPolarHBondContact CE-O 3.23Å; K364-K649 PolarHBondContact NZ-O 3.4Å; G645-K649 PolarHBondContact O-N 3.1Å; G645-K649 VanDerWaalsContact O-N 3.15Å; A646-K649 PolarHBondContact O-N 2.91Å
650A58.3Low85Confident102 Ų10244.9 Ų44.984%0.84326%0.258SS*.  trans-61.70176.100000109.2K364K364-A650 PolarHBondContact NZ-OXT 3.04Å

Retrieved 650 of 650 residues in 850.2 ms (Link to these results)

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