A0A5K4F9A1_SCHMA Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A5K4F9A1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 457 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
1M92.4Very high90.8Very high91 Ų9136.1 Ų36.145%0.44819%0.185SC..  0-108.60-45.2-163.479.800110.1G3 I4 N5 F75 T76 Q79M1-G3 PolarHBondContact O-N 2.97Å; M1-G3 VanDerWaalsContact O-N 3.09Å; M1-I4 PolarHBondContact O-N 3.35Å; M1-N5 PolarHBondContact O-N 2.85Å; M1-N5 VanDerWaalsContact O-N 3.13Å; M1-F75 VanDerWaalsContact CA-O 3.31Å; M1-F75 WeakPolarHBondContact CA-O 3.41Å; M1-F75 WeakPolarHBondContact CG-O 3.29Å; M1-T76 WeakPolarHBondContact CE-O 3.48Å; M1-Q79 HydrophobicContact SD-CB 4.17Å; M1-Q79 HydrophobicContact SD-CG 4.26Å
2W92.3Very high90Very high81 Ų8140.5 Ų40.531%0.30721%0.209SC..Hα-helixtrans-44.7-50-169.6-17394.6000115.7I4 N5 Y6 V31 V33 M43 F47W2-I4 VanDerWaalsContact C-N 3.35Å; W2-I4 PolarHBondContact O-N 2.86Å; W2-N5 WeakPolarHBondContact O-CB 3.47Å; W2-N5 PolarHBondContact O-N 3.16Å; W2-N5 VanDerWaalsContact O-N 3.15Å; W2-Y6 AromaticContact CH2-CD2 4Å; W2-Y6 HydrophobicContact CH2-CD2 4Å; W2-Y6 AromaticContact CH2-CG 3.95Å; W2-Y6 HydrophobicContact CH2-CG 3.95Å; W2-Y6 HydrophobicContact CZ2-CD2 4.36Å; W2-Y6 HydrophobicContact CZ3-CG 4.14Å; W2-Y6 PolarHBondContact O-N 3.48Å; W2-V31 HydrophobicContact CH2-CG1 4.05Å; W2-V31 HydrophobicContact CH2-CG2 4.18Å; W2-V31 HydrophobicContact CZ3-CG1 3.76Å; W2-V33 HydrophobicContact CH2-CG2 3.52Å; W2-V33 HydrophobicContact CZ2-CG2 4.01Å; W2-V33 HydrophobicContact CZ3-CG2 4Å; W2-M43 HydrophobicContact CB-CE 3.71Å; W2-M43 HydrophobicContact CB-SD 4.13Å; W2-M43 HydrophobicContact CD2-CE 4.26Å; W2-M43 HydrophobicContact CG-CE 3.72Å; W2-M43 HydrophobicContact CG-SD 4.42Å; W2-F47 HydrophobicContact CD2-CE2 4.02Å; W2-F47 AromaticContact CD2-CZ 3.96Å; W2-F47 HydrophobicContact CD2-CZ 3.96Å; W2-F47 AromaticContact CE3-CE2 3.5Å; W2-F47 HydrophobicContact CE3-CE2 3.5Å; W2-F47 AromaticContact CE3-CZ 3.92Å; W2-F47 HydrophobicContact CE3-CZ 3.92Å; W2-F47 HydrophobicContact CH2-CE2 4.25Å; W2-F47 HydrophobicContact CH2-CZ 4.4Å; W2-F47 HydrophobicContact CZ2-CZ 4.4Å; W2-F47 AromaticContact CZ3-CE2 3.65Å; W2-F47 HydrophobicContact CZ3-CE2 3.65Å; W2-F47 HydrophobicContact CZ3-CZ 4.16Å
3G93.5Very high89.3Confident8 Ų850 Ų508%0.08225%0.252CS..Hα-helixtrans-65.3-33.3-178.500000114.5M1 S7 F49M1-G3 PolarHBondContact O-N 2.97Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-S7 VanDerWaalsContact O-CB 3.25Å; G3-S7 WeakPolarHBondContact O-CB 3.36Å; G3-S7 PolarHBondContact O-N 2.92Å; G3-F49 WeakPolarHBondContact O-CE1 3.42Å; G3-F49 VanDerWaalsContact O-CZ 3.25Å; G3-F49 WeakPolarHBondContact O-CZ 3.41Å
4I93.4Very high88.8Confident12 Ų1250.2 Ų50.26%0.06226%0.257CS..Hα-helixtrans-69.7-41.8173.2-66.3173.5000109.5M1 W2 S7 F8 Y71 F75 Y141M1-I4 PolarHBondContact O-N 3.35Å; W2-I4 VanDerWaalsContact C-N 3.35Å; W2-I4 PolarHBondContact O-N 2.86Å; I4-S7 PolarHBondContact O-N 3.06Å; I4-F8 HydrophobicContact CG2-CD2 3.91Å; I4-F8 HydrophobicContact CG2-CE2 3.88Å; I4-F8 VanDerWaalsContact O-CD2 3.24Å; I4-F8 WeakPolarHBondContact O-CD2 3.4Å; I4-F8 PolarHBondContact O-N 2.81Å; I4-Y71 HydrophobicContact CG2-CE1 4.21Å; I4-F75 HydrophobicContact CD1-CB 3.79Å; I4-F75 HydrophobicContact CD1-CD1 3.85Å; I4-F75 HydrophobicContact CD1-CD2 4.12Å; I4-F75 HydrophobicContact CD1-CE1 4.49Å; I4-F75 HydrophobicContact CD1-CG 3.65Å; I4-F75 HydrophobicContact CG2-CB 4.25Å; I4-Y141 HydrophobicContact CD1-CE2 4.36Å; I4-Y141 HydrophobicContact CG1-CE2 4.39Å
5N92.8Very high88.1Confident45 Ų4559.4 Ų59.424%0.24129%0.294CS..Hα-helixtrans-58.7-51174.4-170.748.5000111.5M1 W2 S7 F8 S9 W72 T76M1-N5 PolarHBondContact O-N 2.85Å; M1-N5 VanDerWaalsContact O-N 3.13Å; W2-N5 WeakPolarHBondContact O-CB 3.47Å; W2-N5 PolarHBondContact O-N 3.16Å; W2-N5 VanDerWaalsContact O-N 3.15Å; N5-S7 VanDerWaalsContact C-N 3.35Å; N5-S7 PolarHBondContact O-N 3Å; N5-F8 PolarHBondContact O-N 3.05Å; N5-S9 PolarHBondContact O-N 3.3Å; N5-S9 PolarHBondContact O-OG 3.23Å; N5-W72 PolarHBondContact OD1-NE1 3.47Å; N5-T76 HydrophobicContact CB-CG2 4.1Å
6Y91.8Very high87.2Confident55 Ų5563.8 Ų63.822%0.21631%0.313CS..Hα-helixtrans-56.6-46.7176.2179.4-95.6000112.3W2 F8 S9 A10 M29 V31 S295W2-Y6 AromaticContact CH2-CD2 4Å; W2-Y6 HydrophobicContact CH2-CD2 4Å; W2-Y6 AromaticContact CH2-CG 3.95Å; W2-Y6 HydrophobicContact CH2-CG 3.95Å; W2-Y6 HydrophobicContact CZ2-CD2 4.36Å; W2-Y6 HydrophobicContact CZ3-CG 4.14Å; W2-Y6 PolarHBondContact O-N 3.48Å; Y6-F8 PolarHBondContact O-N 3.16Å; Y6-S9 PolarHBondContact O-N 3.22Å; Y6-A10 HydrophobicContact CE1-CB 4.31Å; Y6-A10 VanDerWaalsContact O-CB 3.3Å; Y6-A10 WeakPolarHBondContact O-CB 3.38Å; Y6-A10 PolarHBondContact O-N 3.2Å; Y6-M29 HydrophobicContact CD1-SD 4.16Å; Y6-M29 HydrophobicContact CE1-CG 4.45Å; Y6-M29 HydrophobicContact CE1-SD 3.79Å; Y6-V31 HydrophobicContact CD1-CB 4.38Å; Y6-V31 HydrophobicContact CD1-CG1 3.84Å; Y6-V31 HydrophobicContact CE1-CB 3.94Å; Y6-V31 HydrophobicContact CE1-CG1 3.91Å; Y6-V31 HydrophobicContact CE1-CG2 4.37Å; Y6-V31 HydrophobicContact CG-CG1 4.49Å; Y6-S295 WeakPolarHBondContact OH-CB 3.46Å; Y6-S295 PolarHBondContact OH-OG 3.18Å
7S92.1Very high86.8Confident0 Ų065.5 Ų65.50%032%0.316CS..Hα-helixtrans-56.1-48.1177.4155.80000111.8G3 I4 N5 A10 L11 E51G3-S7 VanDerWaalsContact O-CB 3.25Å; G3-S7 WeakPolarHBondContact O-CB 3.36Å; G3-S7 PolarHBondContact O-N 2.92Å; I4-S7 PolarHBondContact O-N 3.06Å; N5-S7 VanDerWaalsContact C-N 3.35Å; N5-S7 PolarHBondContact O-N 3Å; S7-A10 PolarHBondContact O-N 3.33Å; S7-L11 VanDerWaalsContact O-CB 3.29Å; S7-L11 WeakPolarHBondContact O-CB 3.44Å; S7-L11 VanDerWaalsContact O-CG 3.28Å; S7-L11 WeakPolarHBondContact O-CG 3.49Å; S7-L11 PolarHBondContact O-N 3.37Å; S7-E51 VanDerWaalsContact CB-OE2 3.29Å; S7-E51 WeakPolarHBondContact CB-OE2 3.16Å; S7-E51 PolarHBondContact OG-OE1 2.89Å; S7-E51 PolarHBondContact OG-OE2 2.81Å
8F89.9Confident86.3Confident13 Ų1367.9 Ų67.96%0.05735%0.348CS..Hα-helixtrans-65.3-46.4-179.4-89.3-112.4000112.3I4 N5 Y6 A10 L11 N12 K68 Y71 W72I4-F8 HydrophobicContact CG2-CD2 3.91Å; I4-F8 HydrophobicContact CG2-CE2 3.88Å; I4-F8 VanDerWaalsContact O-CD2 3.24Å; I4-F8 WeakPolarHBondContact O-CD2 3.4Å; I4-F8 PolarHBondContact O-N 2.81Å; N5-F8 PolarHBondContact O-N 3.05Å; Y6-F8 PolarHBondContact O-N 3.16Å; F8-A10 VanDerWaalsContact C-N 3.31Å; F8-A10 PolarHBondContact O-N 2.75Å; F8-L11 PolarHBondContact O-N 3.38Å; F8-N12 PolarHBondContact O-N 2.95Å; F8-N12 VanDerWaalsContact O-N 3.11Å; F8-N12 PolarHBondContact O-ND2 3.45Å; F8-N12 PolarHBondContact O-OD1 3.49Å; F8-K68 HydrophobicContact CD1-CG 3.91Å; F8-K68 HydrophobicContact CE1-CB 4.47Å; F8-K68 HydrophobicContact CE1-CG 3.54Å; F8-K68 WeakPolarHBondContact CE1-O 3.48Å; F8-Y71 HydrophobicContact CE1-CD1 4.45Å; F8-Y71 AromaticContact CE2-CD1 3.66Å; F8-Y71 HydrophobicContact CE2-CD1 3.66Å; F8-Y71 AromaticContact CE2-CE1 3.83Å; F8-Y71 HydrophobicContact CE2-CE1 3.83Å; F8-Y71 AromaticContact CZ-CD1 3.35Å; F8-Y71 HydrophobicContact CZ-CD1 3.35Å; F8-Y71 AromaticContact CZ-CE1 3.97Å; F8-Y71 HydrophobicContact CZ-CE1 3.97Å; F8-Y71 HydrophobicContact CZ-CG 4.23Å; F8-W72 HydrophobicContact CD1-CB 3.87Å; F8-W72 HydrophobicContact CD1-CG 4.27Å; F8-W72 HydrophobicContact CE1-CB 3.91Å; F8-W72 HydrophobicContact CG-CB 4.39Å; F8-W72 AromaticContact CG-CD1 3.81Å; F8-W72 HydrophobicContact CG-CG 4.46Å; F8-W72 HydrophobicContact CZ-CB 4.43Å
9S87.9Confident86.3Confident56 Ų5671.6 Ų71.639%0.39237%0.368SS..Hα-helixtrans-56.2-47.3174.4-59.90000111.2N5 Y6 N12 H13N5-S9 PolarHBondContact O-N 3.3Å; N5-S9 PolarHBondContact O-OG 3.23Å; Y6-S9 PolarHBondContact O-N 3.22Å; S9-N12 WeakPolarHBondContact O-CB 3.45Å; S9-N12 PolarHBondContact O-N 3.07Å; S9-H13 PolarHBondContact O-CD2 3.1Å; S9-H13 PolarHBondContact O-NE2 3.11Å
10A87.6Confident86.5Confident15 Ų1570 Ų7012%0.12436%0.359CS..Hα-helixtrans-73.2-33.9-175.700000112.8Y6 S7 F8 N12 H13 M29 W297Y6-A10 HydrophobicContact CE1-CB 4.31Å; Y6-A10 VanDerWaalsContact O-CB 3.3Å; Y6-A10 WeakPolarHBondContact O-CB 3.38Å; Y6-A10 PolarHBondContact O-N 3.2Å; S7-A10 PolarHBondContact O-N 3.33Å; F8-A10 VanDerWaalsContact C-N 3.31Å; F8-A10 PolarHBondContact O-N 2.75Å; A10-N12 VanDerWaalsContact C-N 3.33Å; A10-N12 PolarHBondContact O-N 2.57Å; A10-H13 PolarHBondContact O-N 3.16Å; A10-M29 HydrophobicContact CB-SD 4.08Å; A10-W297 HydrophobicContact CB-CZ2 3.64Å
11L85.6Confident86.8Confident21 Ų2170.2 Ų70.211%0.1136%0.361CS..Hα-helixtrans-69.2-25173.6-76.3169.4000113.7S7 F8 H13 V14 M29 P54 M55 W297S7-L11 VanDerWaalsContact O-CB 3.29Å; S7-L11 WeakPolarHBondContact O-CB 3.44Å; S7-L11 VanDerWaalsContact O-CG 3.28Å; S7-L11 WeakPolarHBondContact O-CG 3.49Å; S7-L11 PolarHBondContact O-N 3.37Å; F8-L11 PolarHBondContact O-N 3.38Å; L11-H13 PolarHBondContact O-N 2.76Å; L11-V14 HydrophobicContact CD2-CG2 4.38Å; L11-V14 PolarHBondContact O-N 2.93Å; L11-V14 VanDerWaalsContact O-N 3.09Å; L11-M29 HydrophobicContact CG-CE 4.49Å; L11-P54 HydrophobicContact CD1-CB 4.26Å; L11-P54 HydrophobicContact CD2-CB 4.06Å; L11-M55 HydrophobicContact CD2-SD 4.04Å; L11-W297 HydrophobicContact CD2-CH2 3.68Å; L11-W297 HydrophobicContact CD2-CZ3 4.12Å; L11-W297 HydrophobicContact CG-CH2 4.06Å
12N81.3Confident86.7Confident89 Ų8972.5 Ų72.548%0.47637%0.369SS..THydrogen-bonded Turntrans-62.4-25.3176.3-66.9-24.9000113.1F8 S9 A10 K68F8-N12 PolarHBondContact O-N 2.95Å; F8-N12 VanDerWaalsContact O-N 3.11Å; F8-N12 PolarHBondContact O-ND2 3.45Å; F8-N12 PolarHBondContact O-OD1 3.49Å; S9-N12 WeakPolarHBondContact O-CB 3.45Å; S9-N12 PolarHBondContact O-N 3.07Å; A10-N12 VanDerWaalsContact C-N 3.33Å; A10-N12 PolarHBondContact O-N 2.57Å; N12-K68 WeakPolarHBondContact OD1-CE 3.35Å; N12-K68 PolarHBondContact OD1-NZ 3.01Å
13H80.6Confident86.8Confident164 Ų16471.9 Ų71.976%0.75937%0.371SS*.THydrogen-bonded Turntrans-88.8-6.5178.4-55.9-67.4000113.1S9 A10 L11S9-H13 PolarHBondContact O-CD2 3.1Å; S9-H13 PolarHBondContact O-NE2 3.11Å; A10-H13 PolarHBondContact O-N 3.16Å; L11-H13 PolarHBondContact O-N 2.76Å
14V82.2Confident86.8Confident53 Ų5371.5 Ų71.532%0.32137%0.367SS..SBendtrans-85.6119.4179.6-178.40000109.9L11 Q16 M55 W297L11-V14 HydrophobicContact CD2-CG2 4.38Å; L11-V14 PolarHBondContact O-N 2.93Å; L11-V14 VanDerWaalsContact O-N 3.09Å; V14-Q16 PolarHBondContact O-N 2.61Å; V14-Q16 VanDerWaalsContact O-N 3.14Å; V14-M55 HydrophobicContact CG1-CE 4.36Å; V14-M55 HydrophobicContact CG1-SD 3.93Å; V14-W297 HydrophobicContact CG2-CH2 4.18Å; V14-W297 HydrophobicContact CG2-CZ3 4.49Å
15K78.4Confident86.9Confident188 Ų18872.1 Ų72.182%0.81737%0.37SS*.PPolyproline II helixtrans-59.2118.7177.5-174.9175.6-178.1176.30110.8R17K15-R17 PolarHBondContact O-N 2.85Å
16Q73.5Confident87Confident129 Ų12978 Ų7860%0.60339%0.393SS*.PPolyproline II helixtrans-63.7127.6178.4-171.3155.3-23.800110.7V14 K58V14-Q16 PolarHBondContact O-N 2.61Å; V14-Q16 VanDerWaalsContact O-N 3.14Å; Q16-K58 VanDerWaalsContact OE1-NZ 3.13Å
17R80.3Confident87.2Confident94 Ų9475.9 Ų75.936%0.35539%0.387SS..PPolyproline II helixtrans-100.3148.9175.1-70.7177.4-72.7165.83.4109.4K15 D24K15-R17 PolarHBondContact O-N 2.85Å; R17-D24 IonicContact CZ-OD1 3.6Å; R17-D24 IonicContact CZ-OD2 3.65Å; R17-D24 IonicContact NH1-OD1 3.66Å; R17-D24 IonicContact NH1-OD2 3.73Å; R17-D24 VanDerWaalsContact NH2-CG 3.3Å; R17-D24 IonicContact NH2-OD1 2.69Å; R17-D24 PolarHBondContact NH2-OD1 3.02Å; R17-D24 IonicContact NH2-OD2 3.18Å; R17-D24 PolarHBondContact NH2-OD2 3.5Å
18A78.3Confident87.3Confident108 Ų10877.1 Ų77.189%0.89339%0.392SS*.SBendtrans-74.5-24.7-178.800000113.6
19L85.9Confident87.5Confident138 Ų13876.5 Ų76.572%0.72339%0.389SS*.SBendtrans-130.7146.1179.6-62.4174.8000109.5
20L90.7Very high87.8Confident39 Ų3977.2 Ų77.220%0.20439%0.385CS..  trans-79.6142.6167.7-61.4178.7000109.7D24 F25 M55 V56 Y122L20-D24 WeakPolarHBondContact CA-OD2 3.47Å; L20-D24 HydrophobicContact CD2-CB 4.44Å; L20-F25 HydrophobicContact CB-CE2 4.18Å; L20-F25 HydrophobicContact CD1-CE2 4.36Å; L20-F25 HydrophobicContact CD1-CZ 4.11Å; L20-M55 HydrophobicContact CD2-CB 4.06Å; L20-V56 HydrophobicContact CD1-CB 4.32Å; L20-V56 HydrophobicContact CD1-CG1 4.23Å; L20-V56 HydrophobicContact CD1-CG2 4.18Å; L20-Y122 HydrophobicContact CD1-CD1 4.34Å; L20-Y122 HydrophobicContact CD1-CD2 4.08Å; L20-Y122 HydrophobicContact CD1-CE1 3.83Å; L20-Y122 HydrophobicContact CD1-CE2 3.55Å; L20-Y122 HydrophobicContact CD1-CG 4.45Å; L20-Y122 VanDerWaalsContact CD1-CZ 3.4Å
21L91.5Very high88.1Confident76 Ų7676.6 Ų76.640%0.39838%0.38SS..  trans-97.1160.3170.9-57.1-175.4000110.1D23 D24 F25L21-D23 PolarHBondContact O-N 3.36Å; L21-D24 PolarHBondContact N-OD2 3.12Å; L21-D24 VanDerWaalsContact O-CB 3.31Å; L21-D24 WeakPolarHBondContact O-CB 3.41Å; L21-D24 PolarHBondContact O-N 3.08Å; L21-F25 WeakPolarHBondContact O-CD2 3.18Å
22K91.9Very high88.4Confident139 Ų13979.7 Ų79.760%0.60439%0.392SS*.G310 helixtrans-56.7-32.5175.6-68.8-163170.3-111.60112.9D24 F25 E119K22-D24 PolarHBondContact O-N 3.09Å; K22-F25 PolarHBondContact O-N 3.22Å; K22-E119 IonicContact NZ-OE1 2.7Å; K22-E119 PolarHBondContact NZ-OE1 2.83Å; K22-E119 IonicContact NZ-OE2 3.5Å
23D92.9Very high88.7Confident67 Ų6775.6 Ų75.636%0.35837%0.371SS..G310 helixtrans-65.1-25.2176.7-60.9-23.6000112.8L21 F25 K26 A27L21-D23 PolarHBondContact O-N 3.36Å; D23-F25 PolarHBondContact O-N 3.44Å; D23-K26 CarbonylContact O-C 3.57Å; D23-K26 PolarHBondContact O-N 2.85Å; D23-A27 WeakPolarHBondContact O-CB 3.28Å; D23-A27 PolarHBondContact O-N 3.3Å
24D94.6Very high88.9Confident1 Ų169.4 Ų69.41%0.00534%0.343CS..G310 helixtrans-67.9-25.1178.7-61.4-35.3000112.1R17 L20 L21 K22 K26 M55 V56R17-D24 IonicContact CZ-OD1 3.6Å; R17-D24 IonicContact CZ-OD2 3.65Å; R17-D24 IonicContact NH1-OD1 3.66Å; R17-D24 IonicContact NH1-OD2 3.73Å; R17-D24 VanDerWaalsContact NH2-CG 3.3Å; R17-D24 IonicContact NH2-OD1 2.69Å; R17-D24 PolarHBondContact NH2-OD1 3.02Å; R17-D24 IonicContact NH2-OD2 3.18Å; R17-D24 PolarHBondContact NH2-OD2 3.5Å; L20-D24 WeakPolarHBondContact CA-OD2 3.47Å; L20-D24 HydrophobicContact CD2-CB 4.44Å; L21-D24 PolarHBondContact N-OD2 3.12Å; L21-D24 VanDerWaalsContact O-CB 3.31Å; L21-D24 WeakPolarHBondContact O-CB 3.41Å; L21-D24 PolarHBondContact O-N 3.08Å; K22-D24 PolarHBondContact O-N 3.09Å; D24-K26 VanDerWaalsContact C-N 3.28Å; D24-M55 HydrophobicContact CB-CB 4.41Å; D24-V56 HydrophobicContact CB-CG2 4.14Å; D24-V56 WeakPolarHBondContact O-CG2 3.42Å
25F95.8Very high88.8Confident24 Ų2468 Ų6811%0.10533%0.333CS..G310 helixtrans-78.4-9.6174.1-65.3-92.8000113.3L20 L21 K22 D23 C53 V56 L118 E119 Y122L20-F25 HydrophobicContact CB-CE2 4.18Å; L20-F25 HydrophobicContact CD1-CE2 4.36Å; L20-F25 HydrophobicContact CD1-CZ 4.11Å; L21-F25 WeakPolarHBondContact O-CD2 3.18Å; K22-F25 PolarHBondContact O-N 3.22Å; D23-F25 PolarHBondContact O-N 3.44Å; F25-C53 VanDerWaalsContact C-SG 3.59Å; F25-C53 PolarHBondContact O-SG 3.14Å; F25-V56 HydrophobicContact CD1-CG1 4.14Å; F25-V56 HydrophobicContact CD1-CG2 3.93Å; F25-V56 HydrophobicContact CD2-CG2 4.3Å; F25-V56 HydrophobicContact CE1-CB 4.5Å; F25-V56 HydrophobicContact CE1-CG1 3.62Å; F25-V56 HydrophobicContact CE1-CG2 4Å; F25-V56 HydrophobicContact CE2-CG2 4.38Å; F25-V56 HydrophobicContact CG-CG2 4.08Å; F25-V56 HydrophobicContact CZ-CG1 4.14Å; F25-V56 HydrophobicContact CZ-CG2 4.22Å; F25-L118 HydrophobicContact CD1-CB 4.31Å; F25-L118 HydrophobicContact CD1-CD2 4.03Å; F25-L118 HydrophobicContact CD1-CG 3.81Å; F25-L118 HydrophobicContact CE1-CG 4.14Å; F25-E119 HydrophobicContact CD1-CB 4.11Å; F25-E119 HydrophobicContact CE1-CB 4.24Å; F25-Y122 HydrophobicContact CE1-CD1 4.48Å; F25-Y122 HydrophobicContact CE1-CG 4.2Å; F25-Y122 AromaticContact CZ-CD1 3.85Å; F25-Y122 HydrophobicContact CZ-CD1 3.85Å; F25-Y122 AromaticContact CZ-CG 3.98Å; F25-Y122 HydrophobicContact CZ-CG 3.98Å
26K94.7Very high88.4Confident169 Ų16964.9 Ų64.974%0.73532%0.322SS*.THydrogen-bonded Turntrans-112.5-19.2173.3-60.7-176.3-179.8-176.90112.9D23 D24D23-K26 CarbonylContact O-C 3.57Å; D23-K26 PolarHBondContact O-N 2.85Å; D24-K26 VanDerWaalsContact C-N 3.28Å
27A95Very high87.8Confident10 Ų1065.4 Ų65.48%0.08332%0.324CS..  trans-58.6150.2-178.900000112.8D23 C53 Q298D23-A27 WeakPolarHBondContact O-CB 3.28Å; D23-A27 PolarHBondContact O-N 3.3Å; A27-C53 WeakPolarHBondContact O-CA 3.5Å; A27-C53 PolarHBondContact O-N 3.33Å; A27-Q298 VanDerWaalsContact CA-O 3.26Å; A27-Q298 WeakPolarHBondContact CA-O 3.25Å; A27-Q298 VanDerWaalsContact CB-O 3.26Å; A27-Q298 WeakPolarHBondContact CB-O 3.32Å
28Y95.4Very high87Confident26 Ų2666.6 Ų66.610%0.10233%0.332CS..EExtended strand (participates in β ladder)trans-149.2158.9170.863.6-100.7000112.1K30 K50 E51 Q298Y28-K30 HydrophobicContact CD2-CB 4.03Å; Y28-K30 HydrophobicContact CE2-CB 4.06Å; Y28-K30 HydrophobicContact CE2-CD 4.44Å; Y28-K50 VanDerWaalsContact CB-CE 3.45Å; Y28-K50 HydrophobicContact CD2-CD 4.24Å; Y28-K50 HydrophobicContact CD2-CG 4.41Å; Y28-K50 HydrophobicContact CG-CD 4.38Å; Y28-E51 WeakPolarHBondContact CA-O 3.24Å; Y28-E51 WeakPolarHBondContact CB-O 3.23Å; Y28-Q298 HydrophobicContact CE1-CB 4.23Å; Y28-Q298 HydrophobicContact CE2-CB 4.38Å; Y28-Q298 PolarHBondContact N-O 3.15Å; Y28-Q298 PolarHBondContact O-N 2.9Å; Y28-Q298 VanDerWaalsContact O-N 3.09Å; Y28-Q298 PolarHBondContact OH-OE1 2.89Å; Y28-Q298 VanDerWaalsContact OH-OE1 3.13Å
29M94.3Very high86.5Confident1 Ų164.4 Ų64.41%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-111.7131.4166.9168.2175.435.200108Y6 A10 L11 K50 E51 W297Y6-M29 HydrophobicContact CD1-SD 4.16Å; Y6-M29 HydrophobicContact CE1-CG 4.45Å; Y6-M29 HydrophobicContact CE1-SD 3.79Å; A10-M29 HydrophobicContact CB-SD 4.08Å; L11-M29 HydrophobicContact CG-CE 4.49Å; M29-K50 CarbonylContact O-C 3.58Å; M29-K50 WeakPolarHBondContact O-CA 3.34Å; M29-E51 HydrophobicContact CE-CB 4.19Å; M29-E51 WeakPolarHBondContact CE-OE2 3.4Å; M29-E51 PolarHBondContact N-O 3.21Å; M29-E51 PolarHBondContact O-N 3.41Å; M29-W297 HydrophobicContact CB-CD2 4.2Å; M29-W297 HydrophobicContact CB-CE3 3.94Å; M29-W297 HydrophobicContact CB-CH2 4.16Å; M29-W297 HydrophobicContact CB-CZ2 4.4Å; M29-W297 HydrophobicContact CB-CZ3 3.91Å; M29-W297 HydrophobicContact CE-CH2 3.73Å; M29-W297 HydrophobicContact CE-CZ2 4.08Å; M29-W297 HydrophobicContact CE-CZ3 4.36Å; M29-W297 HydrophobicContact CG-CD2 4.27Å; M29-W297 HydrophobicContact CG-CE3 4.45Å; M29-W297 HydrophobicContact CG-CH2 4.25Å; M29-W297 HydrophobicContact CG-CZ2 4.04Å; M29-W297 HydrophobicContact CG-CZ3 4.44Å; M29-W297 HydrophobicContact SD-CH2 3.54Å; M29-W297 VanDerWaalsContact SD-CH2 3.54Å; M29-W297 HydrophobicContact SD-CZ2 3.25Å; M29-W297 WeakPolarHBondContact SD-CZ2 3.35Å; M29-W297 HydrophobicContact SD-CZ3 4.28Å
30K94.2Very high85.8Confident71 Ų7162.8 Ų62.831%0.30929%0.292SS..EExtended strand (participates in β ladder)trans-132.4131.2178.6178.8-175.1173.2-168.10109.2Y28 F49 K50 S295 Q296Y28-K30 HydrophobicContact CD2-CB 4.03Å; Y28-K30 HydrophobicContact CE2-CB 4.06Å; Y28-K30 HydrophobicContact CE2-CD 4.44Å; K30-F49 CarbonylContact C-O 3.53Å; K30-F49 WeakPolarHBondContact CA-O 3.43Å; K30-K50 HydrophobicContact CB-CB 4.46Å; K30-K50 HydrophobicContact CB-CG 4.45Å; K30-S295 WeakPolarHBondContact O-CA 3.32Å; K30-Q296 PolarHBondContact N-O 3.11Å; K30-Q296 PolarHBondContact O-N 3.17Å
31V93.2Very high85Confident1 Ų170 Ų701%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-127.6135.3173.359.50000110.1W2 Y6 V33 K48 F49 S294 S295W2-V31 HydrophobicContact CH2-CG1 4.05Å; W2-V31 HydrophobicContact CH2-CG2 4.18Å; W2-V31 HydrophobicContact CZ3-CG1 3.76Å; Y6-V31 HydrophobicContact CD1-CB 4.38Å; Y6-V31 HydrophobicContact CD1-CG1 3.84Å; Y6-V31 HydrophobicContact CE1-CB 3.94Å; Y6-V31 HydrophobicContact CE1-CG1 3.91Å; Y6-V31 HydrophobicContact CE1-CG2 4.37Å; Y6-V31 HydrophobicContact CG-CG1 4.49Å; V31-V33 HydrophobicContact CG2-CG2 4.1Å; V31-K48 CarbonylContact O-C 3.51Å; V31-K48 WeakPolarHBondContact O-CA 3.48Å; V31-F49 HydrophobicContact CG1-CB 3.84Å; V31-F49 HydrophobicContact CG1-CD1 4.09Å; V31-F49 HydrophobicContact CG1-CG 4.46Å; V31-F49 PolarHBondContact N-O 3.08Å; V31-F49 PolarHBondContact O-N 3.44Å; V31-S294 CarbonylContact C-O 3.57Å; V31-S294 WeakPolarHBondContact CA-O 3.36Å; V31-S295 WeakPolarHBondContact CG2-OG 3.21Å
32K92.3Very high84.4Confident87 Ų8772.3 Ų72.338%0.37834%0.338SS..EExtended strand (participates in β ladder)trans-113.4123.4174-179.4178.7-179.6-177.60108K48 S294K32-K48 HydrophobicContact CG-CG 4.33Å; K32-S294 PolarHBondContact N-O 2.63Å; K32-S294 PolarHBondContact O-N 2.82Å; K32-S294 VanDerWaalsContact O-N 3.08Å
33V88Confident83.9Confident3 Ų367.7 Ų67.72%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-112.6125.6-177.6-176.30000109W2 V31 N35 R46 F47 L293W2-V33 HydrophobicContact CH2-CG2 3.52Å; W2-V33 HydrophobicContact CZ2-CG2 4.01Å; W2-V33 HydrophobicContact CZ3-CG2 4Å; V31-V33 HydrophobicContact CG2-CG2 4.1Å; V33-N35 WeakPolarHBondContact CG1-OD1 3.44Å; V33-R46 WeakPolarHBondContact O-CA 3.45Å; V33-F47 HydrophobicContact CB-CD1 4.04Å; V33-F47 HydrophobicContact CB-CD2 4.26Å; V33-F47 HydrophobicContact CB-CE1 3.58Å; V33-F47 HydrophobicContact CB-CE2 3.82Å; V33-F47 HydrophobicContact CB-CG 4.35Å; V33-F47 HydrophobicContact CB-CZ 3.46Å; V33-F47 VanDerWaalsContact CB-CZ 3.46Å; V33-F47 HydrophobicContact CG1-CD1 4.32Å; V33-F47 HydrophobicContact CG1-CE1 3.53Å; V33-F47 HydrophobicContact CG1-CE2 4.46Å; V33-F47 HydrophobicContact CG1-CZ 3.62Å; V33-F47 HydrophobicContact CG2-CD2 4.21Å; V33-F47 HydrophobicContact CG2-CE1 4.1Å; V33-F47 HydrophobicContact CG2-CE2 3.48Å; V33-F47 VanDerWaalsContact CG2-CE2 3.48Å; V33-F47 HydrophobicContact CG2-CZ 3.42Å; V33-F47 VanDerWaalsContact CG2-CZ 3.42Å; V33-F47 PolarHBondContact N-O 3.32Å; V33-F47 PolarHBondContact O-N 3.12Å; V33-F47 VanDerWaalsContact O-N 3.15Å; V33-L293 HydrophobicContact CB-CD2 4.09Å; V33-L293 HydrophobicContact CG1-CD2 3.8Å; V33-L293 HydrophobicContact CG2-CD2 3.63Å
34N84.5Confident83.5Confident33 Ų3366.7 Ų66.718%0.17632%0.316CS..EExtended strand (participates in β ladder)trans-126.194.9176.8-42.6-75000108.4R46 S292N34-R46 PolarHBondContact OD1-NH1 3.17Å; N34-S292 PolarHBondContact N-O 3.2Å; N34-S292 PolarHBondContact ND2-O 3.44Å; N34-S292 PolarHBondContact O-N 3.47Å; N34-S292 VanDerWaalsContact O-N 3.11Å
35N79.2Confident83Confident23 Ų2369.1 Ų69.112%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-88.8111-179.6-69.4-10.4000109.7V33 H37 F38 S45V33-N35 WeakPolarHBondContact CG1-OD1 3.44Å; N35-H37 PolarHBondContact O-N 3.41Å; N35-F38 WeakPolarHBondContact CB-O 3.43Å; N35-S45 PolarHBondContact N-O 2.76Å
36H70.1Confident82.7Confident124 Ų12474 Ų7457%0.57435%0.35SS*.SBendtrans-97.695.3179-169.4-88.5000110.2F38 L290H36-F38 PolarHBondContact O-N 3.1Å; H36-L290 PolarHBondContact N-O 3.33Å
37H61.5Low82.6Confident140 Ų14066.6 Ų66.665%0.64832%0.318SS*.SBendtrans65.67.9-175.2-71.2-110.1000116.1N35 K40N35-H37 PolarHBondContact O-N 3.41Å; H37-K40 PolarHBondContact CE1-NZ 3.03Å; H37-K40 PolarHBondContact NE2-NZ 3.47Å
38F63.5Low82.6Confident118 Ų11869 Ų6952%0.51833%0.327SS..SBendtrans-97.2139.6173.6-171.4-106.9000112.4N35 H36 K40N35-F38 WeakPolarHBondContact CB-O 3.43Å; H36-F38 PolarHBondContact O-N 3.1Å; F38-K40 VanDerWaalsContact C-N 3.27Å; F38-K40 PolarHBondContact O-N 3.49Å; F38-K40 VanDerWaalsContact O-N 3.08Å
39N68.2Low82.7Confident62 Ų6268 Ų6833%0.33232%0.323SS..SBendtrans45.938.8172-16113.2000116.3E41 N42 M43N39-E41 PolarHBondContact O-N 3.02Å; N39-N42 WeakPolarHBondContact OD1-CB 3.27Å; N39-N42 PolarHBondContact OD1-ND2 3.22Å; N39-M43 PolarHBondContact O-N 2.63Å; N39-M43 VanDerWaalsContact O-N 3.16Å
40K70Confident82.8Confident105 Ų10569.4 Ų69.446%0.45733%0.329SS..THydrogen-bonded Turntrans-67.4-20.2-178.4-77.2-176.4169.4172.30114.2H37 F38 S45H37-K40 PolarHBondContact CE1-NZ 3.03Å; H37-K40 PolarHBondContact NE2-NZ 3.47Å; F38-K40 VanDerWaalsContact C-N 3.27Å; F38-K40 PolarHBondContact O-N 3.49Å; F38-K40 VanDerWaalsContact O-N 3.08Å; K40-S45 WeakPolarHBondContact CE-OG 3.39Å
41E74.7Confident83Confident191 Ų19166 Ų6689%0.89331%0.314SS*.THydrogen-bonded Turntrans-75.2-36.1-178.4-64.5176178.800112N39N39-E41 PolarHBondContact O-N 3.02Å
42N77.5Confident83.2Confident124 Ų12467 Ų6766%0.66332%0.318SS*.THydrogen-bonded Turntrans-104.9-23.1-175.6-56.2-67.4000114N39N39-N42 WeakPolarHBondContact OD1-CB 3.27Å; N39-N42 PolarHBondContact OD1-ND2 3.22Å
43M83.4Confident83.4Confident41 Ų4162.8 Ų62.820%0.20230%0.3CS..SBendtrans-135.7143.1-172.4-70-64.4-66.500112.8W2 N39 F47W2-M43 HydrophobicContact CB-CE 3.71Å; W2-M43 HydrophobicContact CB-SD 4.13Å; W2-M43 HydrophobicContact CD2-CE 4.26Å; W2-M43 HydrophobicContact CG-CE 3.72Å; W2-M43 HydrophobicContact CG-SD 4.42Å; N39-M43 PolarHBondContact O-N 2.63Å; N39-M43 VanDerWaalsContact O-N 3.16Å; M43-F47 HydrophobicContact CB-CE1 4.48Å; M43-F47 HydrophobicContact CE-CD1 4.1Å; M43-F47 HydrophobicContact CE-CE1 3.37Å; M43-F47 HydrophobicContact CE-CE2 3.87Å; M43-F47 HydrophobicContact CE-CZ 3.22Å
44P84.4Confident83.7Confident47 Ų4762.8 Ų62.831%0.30530%0.3SS..  trans-56.1144.1171.6-23.333.2000112.1R46 F47 V145P44-R46 VanDerWaalsContact C-N 3.25Å; P44-R46 PolarHBondContact O-N 2.95Å; P44-F47 HydrophobicContact CB-CD1 4.34Å; P44-F47 WeakPolarHBondContact O-CD1 3.46Å; P44-V145 HydrophobicContact CB-CG1 3.88Å; P44-V145 HydrophobicContact CG-CG1 3.66Å
45S84.2Confident84.2Confident51 Ų5162.2 Ų62.236%0.35730%0.297SS..SBendtrans-65.7-27.2-179.6-58.10000113.5N35 K40N35-S45 PolarHBondContact N-O 2.76Å; K40-S45 WeakPolarHBondContact CE-OG 3.39Å
46R88.9Confident85Confident126 Ų12661.1 Ų61.148%0.47529%0.291SS..EExtended strand (participates in β ladder)trans-136.7126.1172.5-168.5-172.6-59.1-89.214.7110V33 N34 P44V33-R46 WeakPolarHBondContact O-CA 3.45Å; N34-R46 PolarHBondContact OD1-NH1 3.17Å; P44-R46 VanDerWaalsContact C-N 3.25Å; P44-R46 PolarHBondContact O-N 2.95Å
47F92.8Very high86.3Confident14 Ų1455.2 Ų55.26%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-150.3160.517164.4-86.7000111.8W2 V33 M43 P44 T144 V145W2-F47 HydrophobicContact CD2-CE2 4.02Å; W2-F47 AromaticContact CD2-CZ 3.96Å; W2-F47 HydrophobicContact CD2-CZ 3.96Å; W2-F47 AromaticContact CE3-CE2 3.5Å; W2-F47 HydrophobicContact CE3-CE2 3.5Å; W2-F47 AromaticContact CE3-CZ 3.92Å; W2-F47 HydrophobicContact CE3-CZ 3.92Å; W2-F47 HydrophobicContact CH2-CE2 4.25Å; W2-F47 HydrophobicContact CH2-CZ 4.4Å; W2-F47 HydrophobicContact CZ2-CZ 4.4Å; W2-F47 AromaticContact CZ3-CE2 3.65Å; W2-F47 HydrophobicContact CZ3-CE2 3.65Å; W2-F47 HydrophobicContact CZ3-CZ 4.16Å; V33-F47 HydrophobicContact CB-CD1 4.04Å; V33-F47 HydrophobicContact CB-CD2 4.26Å; V33-F47 HydrophobicContact CB-CE1 3.58Å; V33-F47 HydrophobicContact CB-CE2 3.82Å; V33-F47 HydrophobicContact CB-CG 4.35Å; V33-F47 HydrophobicContact CB-CZ 3.46Å; V33-F47 VanDerWaalsContact CB-CZ 3.46Å; V33-F47 HydrophobicContact CG1-CD1 4.32Å; V33-F47 HydrophobicContact CG1-CE1 3.53Å; V33-F47 HydrophobicContact CG1-CE2 4.46Å; V33-F47 HydrophobicContact CG1-CZ 3.62Å; V33-F47 HydrophobicContact CG2-CD2 4.21Å; V33-F47 HydrophobicContact CG2-CE1 4.1Å; V33-F47 HydrophobicContact CG2-CE2 3.48Å; V33-F47 VanDerWaalsContact CG2-CE2 3.48Å; V33-F47 HydrophobicContact CG2-CZ 3.42Å; V33-F47 VanDerWaalsContact CG2-CZ 3.42Å; V33-F47 PolarHBondContact N-O 3.32Å; V33-F47 PolarHBondContact O-N 3.12Å; V33-F47 VanDerWaalsContact O-N 3.15Å; M43-F47 HydrophobicContact CB-CE1 4.48Å; M43-F47 HydrophobicContact CE-CD1 4.1Å; M43-F47 HydrophobicContact CE-CE1 3.37Å; M43-F47 HydrophobicContact CE-CE2 3.87Å; M43-F47 HydrophobicContact CE-CZ 3.22Å; P44-F47 HydrophobicContact CB-CD1 4.34Å; P44-F47 WeakPolarHBondContact O-CD1 3.46Å; F47-T144 CarbonylContact C-O 3.55Å; F47-T144 WeakPolarHBondContact CA-O 3.47Å; F47-T144 WeakPolarHBondContact CB-O 3.26Å; F47-V145 HydrophobicContact CB-CG2 4.08Å
48K94.6Very high87.8Confident60 Ų6050.8 Ų50.826%0.26124%0.242SC..EExtended strand (participates in β ladder)trans-122.6140.5173-44.5168.3-167.7161.30108V31 K32 T144V31-K48 CarbonylContact O-C 3.51Å; V31-K48 WeakPolarHBondContact O-CA 3.48Å; K32-K48 HydrophobicContact CG-CG 4.33Å; K48-T144 HydrophobicContact CD-CG2 4.09Å; K48-T144 PolarHBondContact N-O 3.34Å; K48-T144 PolarHBondContact O-N 2.89Å
49F96.5Very high89.3Confident7 Ų746.1 Ų46.13%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-124.2132.9170.3172.6-96.5000108.6G3 K30 V31 E51 Y141 L143G3-F49 WeakPolarHBondContact O-CE1 3.42Å; G3-F49 VanDerWaalsContact O-CZ 3.25Å; G3-F49 WeakPolarHBondContact O-CZ 3.41Å; K30-F49 CarbonylContact C-O 3.53Å; K30-F49 WeakPolarHBondContact CA-O 3.43Å; V31-F49 HydrophobicContact CG1-CB 3.84Å; V31-F49 HydrophobicContact CG1-CD1 4.09Å; V31-F49 HydrophobicContact CG1-CG 4.46Å; V31-F49 PolarHBondContact N-O 3.08Å; V31-F49 PolarHBondContact O-N 3.44Å; F49-E51 HydrophobicContact CE1-CB 4.05Å; F49-E51 HydrophobicContact CZ-CB 4.22Å; F49-Y141 HydrophobicContact CE1-CD1 4.46Å; F49-Y141 AromaticContact CE2-CD1 3.62Å; F49-Y141 HydrophobicContact CE2-CD1 3.62Å; F49-Y141 HydrophobicContact CE2-CE1 4.36Å; F49-Y141 HydrophobicContact CE2-CG 4.1Å; F49-Y141 AromaticContact CZ-CD1 3.37Å; F49-Y141 HydrophobicContact CZ-CD1 3.37Å; F49-Y141 AromaticContact CZ-CE1 3.77Å; F49-Y141 HydrophobicContact CZ-CE1 3.77Å; F49-Y141 HydrophobicContact CZ-CG 4.28Å; F49-L143 HydrophobicContact CD2-CD2 3.62Å; F49-L143 HydrophobicContact CE2-CD2 4.14Å
50K97.2Very high90.6Very high29 Ų2943.2 Ų43.213%0.12621%0.209CC..EExtended strand (participates in β ladder)trans-129.8127.7173177.3174.5178167.80109.5Y28 M29 K30 Y52 Y141 R142Y28-K50 VanDerWaalsContact CB-CE 3.45Å; Y28-K50 HydrophobicContact CD2-CD 4.24Å; Y28-K50 HydrophobicContact CD2-CG 4.41Å; Y28-K50 HydrophobicContact CG-CD 4.38Å; M29-K50 CarbonylContact O-C 3.58Å; M29-K50 WeakPolarHBondContact O-CA 3.34Å; K30-K50 HydrophobicContact CB-CB 4.46Å; K30-K50 HydrophobicContact CB-CG 4.45Å; K50-Y52 HydrophobicContact CD-CE1 4.02Å; K50-Y52 HydrophobicContact CD-CE2 4.17Å; K50-Y52 HydrophobicContact CG-CD2 4.4Å; K50-Y52 HydrophobicContact CG-CE2 4.1Å; K50-Y141 CarbonylContact O-C 3.57Å; K50-Y141 VanDerWaalsContact O-CA 3.31Å; K50-Y141 WeakPolarHBondContact O-CA 3.47Å; K50-R142 HydrophobicContact CB-CB 4.3Å; K50-R142 PolarHBondContact N-O 2.79Å; K50-R142 PolarHBondContact O-N 2.89Å
51E97.7Very high91.8Very high0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-103.6129.3167.1-179.8171.9-14300108.7S7 Y28 M29 F49 P54 Y141S7-E51 VanDerWaalsContact CB-OE2 3.29Å; S7-E51 WeakPolarHBondContact CB-OE2 3.16Å; S7-E51 PolarHBondContact OG-OE1 2.89Å; S7-E51 PolarHBondContact OG-OE2 2.81Å; Y28-E51 WeakPolarHBondContact CA-O 3.24Å; Y28-E51 WeakPolarHBondContact CB-O 3.23Å; M29-E51 HydrophobicContact CE-CB 4.19Å; M29-E51 WeakPolarHBondContact CE-OE2 3.4Å; M29-E51 PolarHBondContact N-O 3.21Å; M29-E51 PolarHBondContact O-N 3.41Å; F49-E51 HydrophobicContact CE1-CB 4.05Å; F49-E51 HydrophobicContact CZ-CB 4.22Å; E51-P54 HydrophobicContact CG-CB 4Å; E51-Y141 HydrophobicContact CB-CD1 3.92Å; E51-Y141 HydrophobicContact CB-CE1 3.95Å; E51-Y141 HydrophobicContact CG-CD1 3.95Å; E51-Y141 HydrophobicContact CG-CE1 3.57Å; E51-Y141 VanDerWaalsContact OE1-CE1 3.31Å; E51-Y141 WeakPolarHBondContact OE1-CE1 3.32Å; E51-Y141 PolarHBondContact OE1-OH 3.12Å
52Y97.7Very high92.7Very high21 Ų2133.4 Ų33.48%0.08217%0.166CC..EExtended strand (participates in β ladder)trans-93142177.9-64-97.5000109.9K50 F57 H115 L140 R142K50-Y52 HydrophobicContact CD-CE1 4.02Å; K50-Y52 HydrophobicContact CD-CE2 4.17Å; K50-Y52 HydrophobicContact CG-CD2 4.4Å; K50-Y52 HydrophobicContact CG-CE2 4.1Å; Y52-F57 WeakPolarHBondContact O-CD2 3.29Å; Y52-F57 WeakPolarHBondContact O-CE2 3.49Å; Y52-H115 AromaticContact CD1-CE1 3.68Å; Y52-H115 AromaticContact CD1-NE2 3.1Å; Y52-H115 WeakPolarHBondContact CD1-NE2 3.23Å; Y52-H115 AromaticContact CE1-NE2 3.72Å; Y52-H115 AromaticContact CG-NE2 3.71Å; Y52-L140 HydrophobicContact CD2-CD2 4.34Å; Y52-L140 HydrophobicContact CD2-CG 3.94Å; Y52-L140 HydrophobicContact CG-CD2 4.23Å; Y52-L140 HydrophobicContact CG-CG 4.27Å; Y52-L140 PolarHBondContact N-O 3.06Å; Y52-R142 HydrophobicContact CE2-CB 3.73Å
53C96.6Very high93.5Very high0 Ų032.3 Ų32.30%015%0.153CC..SBendtrans47.147.1173.8-48.30000114.4F25 A27 M55 V56 F57 H115 L118F25-C53 VanDerWaalsContact C-SG 3.59Å; F25-C53 PolarHBondContact O-SG 3.14Å; A27-C53 WeakPolarHBondContact O-CA 3.5Å; A27-C53 PolarHBondContact O-N 3.33Å; C53-M55 VanDerWaalsContact C-N 3.27Å; C53-M55 PolarHBondContact O-N 2.99Å; C53-M55 VanDerWaalsContact O-N 3.13Å; C53-V56 HydrophobicContact CB-CB 3.95Å; C53-V56 HydrophobicContact CB-CG2 3.83Å; C53-V56 WeakPolarHBondContact O-CA 3.41Å; C53-V56 WeakPolarHBondContact O-CB 3.46Å; C53-V56 PolarHBondContact O-N 3.34Å; C53-F57 HydrophobicContact CB-CD2 4.08Å; C53-F57 HydrophobicContact CB-CE2 4.04Å; C53-F57 WeakPolarHBondContact O-CD2 3.5Å; C53-F57 PolarHBondContact O-N 2.93Å; C53-H115 PolarHBondContact SG-CE1 2.86Å; C53-L118 HydrophobicContact CB-CD2 3.73Å; C53-L118 VanDerWaalsContact SG-CD2 3.53Å
54P95.4Very high94Very high3 Ų331 Ų312%0.01915%0.146CC..Hα-helixtrans-60.2-34.2-165.423.8-35.3000113.5L11 E51 K58 W297L11-P54 HydrophobicContact CD1-CB 4.26Å; L11-P54 HydrophobicContact CD2-CB 4.06Å; E51-P54 HydrophobicContact CG-CB 4Å; P54-K58 WeakPolarHBondContact O-CB 3.45Å; P54-K58 PolarHBondContact O-N 3.17Å; P54-W297 HydrophobicContact CG-CZ3 4.14Å
55M94.1Very high94.5Very high21 Ų2131 Ų3110%0.10316%0.156CC..Hα-helixtrans-70.1-34175.5-62.6-54.7-62.600112.8L11 V14 L20 D24 C53 S59L11-M55 HydrophobicContact CD2-SD 4.04Å; V14-M55 HydrophobicContact CG1-CE 4.36Å; V14-M55 HydrophobicContact CG1-SD 3.93Å; L20-M55 HydrophobicContact CD2-CB 4.06Å; D24-M55 HydrophobicContact CB-CB 4.41Å; C53-M55 VanDerWaalsContact C-N 3.27Å; C53-M55 PolarHBondContact O-N 2.99Å; C53-M55 VanDerWaalsContact O-N 3.13Å; M55-S59 PolarHBondContact O-N 3.39Å
56V96.1Very high94.9Very high0 Ų029.1 Ų29.10%014%0.142CC..Hα-helixtrans-67.8-49.8176-171.40000109.7L20 D24 F25 C53 K58 S59 L60 L118 Y122L20-V56 HydrophobicContact CD1-CB 4.32Å; L20-V56 HydrophobicContact CD1-CG1 4.23Å; L20-V56 HydrophobicContact CD1-CG2 4.18Å; D24-V56 HydrophobicContact CB-CG2 4.14Å; D24-V56 WeakPolarHBondContact O-CG2 3.42Å; F25-V56 HydrophobicContact CD1-CG1 4.14Å; F25-V56 HydrophobicContact CD1-CG2 3.93Å; F25-V56 HydrophobicContact CD2-CG2 4.3Å; F25-V56 HydrophobicContact CE1-CB 4.5Å; F25-V56 HydrophobicContact CE1-CG1 3.62Å; F25-V56 HydrophobicContact CE1-CG2 4Å; F25-V56 HydrophobicContact CE2-CG2 4.38Å; F25-V56 HydrophobicContact CG-CG2 4.08Å; F25-V56 HydrophobicContact CZ-CG1 4.14Å; F25-V56 HydrophobicContact CZ-CG2 4.22Å; C53-V56 HydrophobicContact CB-CB 3.95Å; C53-V56 HydrophobicContact CB-CG2 3.83Å; C53-V56 WeakPolarHBondContact O-CA 3.41Å; C53-V56 WeakPolarHBondContact O-CB 3.46Å; C53-V56 PolarHBondContact O-N 3.34Å; V56-K58 PolarHBondContact O-N 2.81Å; V56-S59 CarbonylContact O-C 3.55Å; V56-S59 PolarHBondContact O-N 3.34Å; V56-S59 VanDerWaalsContact O-N 3.11Å; V56-L60 HydrophobicContact CG1-CD1 4.31Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 2.88Å; V56-L118 HydrophobicContact CB-CD2 4.46Å; V56-L118 HydrophobicContact CG1-CD1 4.1Å; V56-L118 HydrophobicContact CG1-CD2 4.16Å; V56-L118 HydrophobicContact CG1-CG 4.11Å; V56-Y122 HydrophobicContact CG1-CD2 4.07Å; V56-Y122 HydrophobicContact CG1-CG 4.44Å
57F96.6Very high95.1Very high0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-68.8-29.7177.9-72.8-70.3000113.6Y52 C53 L60 R61 M114 L118 F137 L140Y52-F57 WeakPolarHBondContact O-CD2 3.29Å; Y52-F57 WeakPolarHBondContact O-CE2 3.49Å; C53-F57 HydrophobicContact CB-CD2 4.08Å; C53-F57 HydrophobicContact CB-CE2 4.04Å; C53-F57 WeakPolarHBondContact O-CD2 3.5Å; C53-F57 PolarHBondContact O-N 2.93Å; F57-L60 HydrophobicContact CD1-CD1 3.88Å; F57-L60 HydrophobicContact CE1-CD1 4.15Å; F57-R61 WeakPolarHBondContact O-CG 3.31Å; F57-R61 PolarHBondContact O-N 3.01Å; F57-R61 PolarHBondContact O-NE 2.97Å; F57-R61 VanDerWaalsContact O-NE 3.12Å; F57-M114 HydrophobicContact CZ-CE 4.37Å; F57-L118 HydrophobicContact CE2-CD2 4.46Å; F57-L118 HydrophobicContact CZ-CD1 4.21Å; F57-F137 HydrophobicContact CE1-CB 3.98Å; F57-L140 HydrophobicContact CD2-CB 4.44Å; F57-L140 HydrophobicContact CE2-CB 3.56Å; F57-L140 HydrophobicContact CZ-CB 3.62Å
58K94.4Very high95.1Very high47 Ų4730.4 Ų30.420%0.20415%0.154CC..Hα-helixtrans-59.1-52.1164.9-171.1-161.7174.5-54.70110.6Q16 P54 V56 L60 R61 D62Q16-K58 VanDerWaalsContact OE1-NZ 3.13Å; P54-K58 WeakPolarHBondContact O-CB 3.45Å; P54-K58 PolarHBondContact O-N 3.17Å; V56-K58 PolarHBondContact O-N 2.81Å; K58-L60 VanDerWaalsContact C-N 3.31Å; K58-L60 PolarHBondContact O-N 3.26Å; K58-R61 PolarHBondContact O-N 3.25Å; K58-D62 IonicContact NZ-OD1 2.76Å; K58-D62 PolarHBondContact NZ-OD1 3.15Å; K58-D62 IonicContact NZ-OD2 3.4Å; K58-D62 PolarHBondContact NZ-OD2 3.13Å; K58-D62 VanDerWaalsContact O-CG 3.25Å; K58-D62 PolarHBondContact O-N 2.84Å
59S94.2Very high95Very high20 Ų2032.9 Ų32.914%0.1417%0.168CC..Hα-helixtrans-65.6-31.1-179.7-174.40000113.4M55 V56 R63 Y122M55-S59 PolarHBondContact O-N 3.39Å; V56-S59 CarbonylContact O-C 3.55Å; V56-S59 PolarHBondContact O-N 3.34Å; V56-S59 VanDerWaalsContact O-N 3.11Å; S59-R63 WeakPolarHBondContact O-CB 3.41Å; S59-R63 VanDerWaalsContact O-CG 3.23Å; S59-R63 WeakPolarHBondContact O-CG 3.21Å; S59-R63 PolarHBondContact O-N 3.47Å; S59-Y122 PolarHBondContact OG-OH 2.81Å
60L96.3Very high94.8Very high0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-65.2-46.2172.1-74.6169.7000111.5V56 F57 K58 D62 R63 F64 L118 Y121 Y122 I125V56-L60 HydrophobicContact CG1-CD1 4.31Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 2.88Å; F57-L60 HydrophobicContact CD1-CD1 3.88Å; F57-L60 HydrophobicContact CE1-CD1 4.15Å; K58-L60 VanDerWaalsContact C-N 3.31Å; K58-L60 PolarHBondContact O-N 3.26Å; L60-D62 PolarHBondContact O-N 2.81Å; L60-R63 PolarHBondContact O-N 3.47Å; L60-R63 VanDerWaalsContact O-N 3.09Å; L60-F64 HydrophobicContact CB-CD2 4.23Å; L60-F64 HydrophobicContact CB-CE2 3.98Å; L60-F64 HydrophobicContact CD2-CE2 4.04Å; L60-F64 HydrophobicContact CD2-CZ 4.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 WeakPolarHBondContact O-CG 3.22Å; L60-F64 PolarHBondContact O-N 3.01Å; L60-L118 HydrophobicContact CD1-CD1 4.32Å; L60-Y121 HydrophobicContact CD1-CD1 4.34Å; L60-Y121 HydrophobicContact CD1-CE1 4Å; L60-Y121 HydrophobicContact CD2-CD1 4.34Å; L60-Y121 HydrophobicContact CD2-CE1 3.91Å; L60-Y122 HydrophobicContact CD2-CD2 3.85Å; L60-Y122 HydrophobicContact CG-CD2 4.08Å; L60-I125 HydrophobicContact CD2-CB 4.22Å; L60-I125 HydrophobicContact CD2-CG1 4.27Å; L60-I125 HydrophobicContact CD2-CG2 4.01Å
61R95.6Very high94.7Very high12 Ų1235.4 Ų35.45%0.04518%0.184CC..Hα-helixtrans-57-47.9173.4-76.7174.6-70.1-165.91.1111.9F57 K58 R63 F64 G65 V66 Y71 L138F57-R61 WeakPolarHBondContact O-CG 3.31Å; F57-R61 PolarHBondContact O-N 3.01Å; F57-R61 PolarHBondContact O-NE 2.97Å; F57-R61 VanDerWaalsContact O-NE 3.12Å; K58-R61 PolarHBondContact O-N 3.25Å; R61-R63 PolarHBondContact O-N 2.91Å; R61-F64 PolarHBondContact O-N 3.27Å; R61-G65 PolarHBondContact O-N 3.36Å; R61-V66 HydrophobicContact CB-CB 4.08Å; R61-V66 HydrophobicContact CB-CG1 4.32Å; R61-V66 HydrophobicContact CG-CB 4.27Å; R61-V66 HydrophobicContact CG-CG1 4.15Å; R61-V66 PolarHBondContact O-N 3.13Å; R61-Y71 VanDerWaalsContact NH1-CE1 3.31Å; R61-L138 WeakPolarHBondContact CD-O 3.5Å; R61-L138 HydrophobicContact CG-CB 3.94Å; R61-L138 HydrophobicContact CG-CD2 3.98Å; R61-L138 HydrophobicContact CG-CG 4.47Å; R61-L138 PolarHBondContact NE-O 3.37Å
62D93.2Very high94.6Very high78 Ų7839.1 Ų39.142%0.41720%0.198SC..Hα-helixtrans-56.2-38.4175.6-60.1-19.5000111K58 L60K58-D62 IonicContact NZ-OD1 2.76Å; K58-D62 PolarHBondContact NZ-OD1 3.15Å; K58-D62 IonicContact NZ-OD2 3.4Å; K58-D62 PolarHBondContact NZ-OD2 3.13Å; K58-D62 VanDerWaalsContact O-CG 3.25Å; K58-D62 PolarHBondContact O-N 2.84Å; L60-D62 PolarHBondContact O-N 2.81Å
63R93.2Very high94.4Very high101 Ų10139.8 Ų39.838%0.38120%0.202SC..Hα-helixtrans-76.9-29.3178.8-74.3173.1-170.8-66.6-7.7114.8S59 L60 R61 G65 Y122 I125S59-R63 WeakPolarHBondContact O-CB 3.41Å; S59-R63 VanDerWaalsContact O-CG 3.23Å; S59-R63 WeakPolarHBondContact O-CG 3.21Å; S59-R63 PolarHBondContact O-N 3.47Å; L60-R63 PolarHBondContact O-N 3.47Å; L60-R63 VanDerWaalsContact O-N 3.09Å; R61-R63 PolarHBondContact O-N 2.91Å; R63-G65 VanDerWaalsContact C-N 3.27Å; R63-Y122 PolarHBondContact NE-OH 2.82Å; R63-Y122 PolarHBondContact NH2-OH 2.93Å; R63-I125 HydrophobicContact CB-CG2 4.38Å
64F95Very high94.3Very high13 Ų1339.8 Ų39.86%0.05720%0.203CC..THydrogen-bonded Turntrans-87.27.8178.1-65.9-48.8000113.4L60 R61 V66 Y121 I125 Q136 L138 R156L60-F64 HydrophobicContact CB-CD2 4.23Å; L60-F64 HydrophobicContact CB-CE2 3.98Å; L60-F64 HydrophobicContact CD2-CE2 4.04Å; L60-F64 HydrophobicContact CD2-CZ 4.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 WeakPolarHBondContact O-CG 3.22Å; L60-F64 PolarHBondContact O-N 3.01Å; R61-F64 PolarHBondContact O-N 3.27Å; F64-V66 HydrophobicContact CB-CG2 4.12Å; F64-V66 PolarHBondContact O-N 3.3Å; F64-Y121 HydrophobicContact CZ-CE1 4.5Å; F64-Y121 WeakPolarHBondContact CZ-OH 3.3Å; F64-I125 HydrophobicContact CD1-CG2 4.4Å; F64-I125 HydrophobicContact CE1-CD1 3.84Å; F64-I125 HydrophobicContact CE1-CG1 4.19Å; F64-I125 HydrophobicContact CE1-CG2 3.6Å; F64-I125 HydrophobicContact CZ-CB 4.43Å; F64-I125 HydrophobicContact CZ-CD1 3.78Å; F64-I125 HydrophobicContact CZ-CG1 3.81Å; F64-I125 HydrophobicContact CZ-CG2 3.71Å; F64-Q136 HydrophobicContact CD1-CB 4.12Å; F64-Q136 HydrophobicContact CD1-CG 3.62Å; F64-Q136 HydrophobicContact CD2-CB 3.89Å; F64-Q136 HydrophobicContact CD2-CG 4.33Å; F64-Q136 HydrophobicContact CE1-CB 4.03Å; F64-Q136 HydrophobicContact CE1-CG 3.52Å; F64-Q136 HydrophobicContact CE2-CB 3.79Å; F64-Q136 HydrophobicContact CE2-CG 4.23Å; F64-Q136 HydrophobicContact CG-CB 4.05Å; F64-Q136 HydrophobicContact CG-CG 4.04Å; F64-Q136 HydrophobicContact CZ-CB 3.86Å; F64-Q136 HydrophobicContact CZ-CG 3.83Å; F64-L138 HydrophobicContact CB-CD2 4.47Å; F64-L138 HydrophobicContact CD2-CD2 3.61Å; F64-L138 HydrophobicContact CE2-CD2 4.3Å; F64-L138 HydrophobicContact CG-CD2 4.45Å; F64-R156 PolarHBondContact O-NH2 2.87Å
65G93.6Very high94.1Very high49 Ų4940 Ų4051%0.50520%0.203SC..THydrogen-bonded Turntrans61.431.8-176.800000112.7R61 R63R61-G65 PolarHBondContact O-N 3.36Å; R63-G65 VanDerWaalsContact C-N 3.27Å
66V94.2Very high94Very high11 Ų1140.5 Ų40.57%0.06721%0.207CC..  trans-90.6110.3174.8173.70000107.7R61 F64 Y71 F101 L138 R156R61-V66 HydrophobicContact CB-CB 4.08Å; R61-V66 HydrophobicContact CB-CG1 4.32Å; R61-V66 HydrophobicContact CG-CB 4.27Å; R61-V66 HydrophobicContact CG-CG1 4.15Å; R61-V66 PolarHBondContact O-N 3.13Å; F64-V66 HydrophobicContact CB-CG2 4.12Å; F64-V66 PolarHBondContact O-N 3.3Å; V66-Y71 HydrophobicContact CG1-CD2 3.94Å; V66-Y71 HydrophobicContact CG1-CG 4.3Å; V66-F101 HydrophobicContact CG1-CE1 4.15Å; V66-F101 HydrophobicContact CG1-CZ 3.86Å; V66-F101 HydrophobicContact CG2-CE1 4.2Å; V66-L138 HydrophobicContact CG2-CD1 4.2Å; V66-L138 HydrophobicContact CG2-CD2 4.03Å; V66-R156 VanDerWaalsContact CG2-NH2 3.27Å
67D92.6Very high93.7Very high78 Ų7847.3 Ų47.342%0.41723%0.233SC..  trans-63.7146.1173.8179.6-102.6000111.3M69 D70 Y71D67-M69 WeakPolarHBondContact OD1-CA 3.07Å; D67-M69 VanDerWaalsContact OD1-CB 3.31Å; D67-M69 WeakPolarHBondContact OD1-CB 3.41Å; D67-M69 PolarHBondContact OD1-N 3.29Å; D67-D70 HydrophobicContact CB-CB 4.05Å; D67-D70 PolarHBondContact OD1-N 3.42Å; D67-D70 VanDerWaalsContact OD1-N 3.11Å; D67-Y71 WeakPolarHBondContact O-CB 3.22Å; D67-Y71 PolarHBondContact O-N 3.11Å
68K92.3Very high93.4Very high89 Ų8951.3 Ų51.339%0.38725%0.252SS..Hα-helixtrans-64.5-46.6-178.8178.9-163170.1-157.10111.5F8 N12 W72F8-K68 HydrophobicContact CD1-CG 3.91Å; F8-K68 HydrophobicContact CE1-CB 4.47Å; F8-K68 HydrophobicContact CE1-CG 3.54Å; F8-K68 WeakPolarHBondContact CE1-O 3.48Å; N12-K68 WeakPolarHBondContact OD1-CE 3.35Å; N12-K68 PolarHBondContact OD1-NZ 3.01Å; K68-W72 WeakPolarHBondContact O-CB 3.46Å; K68-W72 PolarHBondContact O-N 3.02Å; K68-W72 VanDerWaalsContact O-N 3.08Å
69M93.1Very high93.2Very high111 Ų11155.9 Ų55.955%0.54727%0.274SS..Hα-helixtrans-72-42.1-178.4-55.5-59.8-73.300110D67 Y71 W72 D73D67-M69 WeakPolarHBondContact OD1-CA 3.07Å; D67-M69 VanDerWaalsContact OD1-CB 3.31Å; D67-M69 WeakPolarHBondContact OD1-CB 3.41Å; D67-M69 PolarHBondContact OD1-N 3.29Å; M69-Y71 PolarHBondContact O-N 3.49Å; M69-W72 PolarHBondContact O-N 3.35Å; M69-D73 VanDerWaalsContact O-CB 3.29Å; M69-D73 WeakPolarHBondContact O-CB 3.43Å; M69-D73 PolarHBondContact O-N 3.07Å
70D92.6Very high93.1Very high90 Ų9055.9 Ų55.948%0.48127%0.273SS..Hα-helixtrans-57.4-47174.7-73-12.6000112.1D67 S74D67-D70 HydrophobicContact CB-CB 4.05Å; D67-D70 PolarHBondContact OD1-N 3.42Å; D67-D70 VanDerWaalsContact OD1-N 3.11Å; D70-S74 VanDerWaalsContact O-CB 3.3Å; D70-S74 WeakPolarHBondContact O-CB 3.17Å; D70-S74 PolarHBondContact O-N 3.02Å; D70-S74 PolarHBondContact O-OG 3.04Å
71Y95Very high92.7Very high0 Ų061.4 Ų61.40%030%0.302CS..Hα-helixtrans-62.7-44.4176.5-176.3-83.4000112I4 F8 R61 V66 D67 M69 F75 F101 L138 Y141 V154I4-Y71 HydrophobicContact CG2-CE1 4.21Å; F8-Y71 HydrophobicContact CE1-CD1 4.45Å; F8-Y71 AromaticContact CE2-CD1 3.66Å; F8-Y71 HydrophobicContact CE2-CD1 3.66Å; F8-Y71 AromaticContact CE2-CE1 3.83Å; F8-Y71 HydrophobicContact CE2-CE1 3.83Å; F8-Y71 AromaticContact CZ-CD1 3.35Å; F8-Y71 HydrophobicContact CZ-CD1 3.35Å; F8-Y71 AromaticContact CZ-CE1 3.97Å; F8-Y71 HydrophobicContact CZ-CE1 3.97Å; F8-Y71 HydrophobicContact CZ-CG 4.23Å; R61-Y71 VanDerWaalsContact NH1-CE1 3.31Å; V66-Y71 HydrophobicContact CG1-CD2 3.94Å; V66-Y71 HydrophobicContact CG1-CG 4.3Å; D67-Y71 WeakPolarHBondContact O-CB 3.22Å; D67-Y71 PolarHBondContact O-N 3.11Å; M69-Y71 PolarHBondContact O-N 3.49Å; Y71-F75 HydrophobicContact CD1-CD2 4.18Å; Y71-F75 HydrophobicContact CD2-CE2 4.24Å; Y71-F75 AromaticContact CE1-CD2 3.91Å; Y71-F75 HydrophobicContact CE1-CD2 3.91Å; Y71-F75 HydrophobicContact CE1-CE2 4.15Å; Y71-F75 HydrophobicContact CE2-CD2 4.27Å; Y71-F75 AromaticContact CE2-CE2 3.75Å; Y71-F75 HydrophobicContact CE2-CE2 3.75Å; Y71-F75 AromaticContact CZ-CD2 3.97Å; Y71-F75 AromaticContact CZ-CE2 3.72Å; Y71-F75 WeakPolarHBondContact O-CD2 3.42Å; Y71-F101 HydrophobicContact CD2-CD1 4.47Å; Y71-F101 HydrophobicContact CD2-CD2 4.33Å; Y71-F101 HydrophobicContact CD2-CE1 4.24Å; Y71-F101 HydrophobicContact CD2-CE2 4.09Å; Y71-F101 HydrophobicContact CD2-CZ 4.05Å; Y71-L138 HydrophobicContact CD2-CB 4.42Å; Y71-L138 HydrophobicContact CD2-CD1 4.19Å; Y71-L138 HydrophobicContact CE2-CB 3.63Å; Y71-L138 HydrophobicContact CE2-CD1 3.95Å; Y71-L138 HydrophobicContact CE2-CG 4.45Å; Y71-Y141 PolarHBondContact OH-OH 3.36Å; Y71-V154 HydrophobicContact CE2-CG1 3.87Å; Y71-V154 WeakPolarHBondContact OH-CG1 3.37Å
72W94.1Very high92.2Very high78 Ų7867.8 Ų67.830%0.29533%0.326SS..Hα-helixtrans-60.5-53.4178.6175.687.5000110.7N5 F8 K68 M69 S74 F75 T76N5-W72 PolarHBondContact OD1-NE1 3.47Å; F8-W72 HydrophobicContact CD1-CB 3.87Å; F8-W72 HydrophobicContact CD1-CG 4.27Å; F8-W72 HydrophobicContact CE1-CB 3.91Å; F8-W72 HydrophobicContact CG-CB 4.39Å; F8-W72 AromaticContact CG-CD1 3.81Å; F8-W72 HydrophobicContact CG-CG 4.46Å; F8-W72 HydrophobicContact CZ-CB 4.43Å; K68-W72 WeakPolarHBondContact O-CB 3.46Å; K68-W72 PolarHBondContact O-N 3.02Å; K68-W72 VanDerWaalsContact O-N 3.08Å; M69-W72 PolarHBondContact O-N 3.35Å; W72-S74 VanDerWaalsContact C-N 3.33Å; W72-S74 PolarHBondContact O-N 3.28Å; W72-F75 PolarHBondContact O-N 2.68Å; W72-T76 HydrophobicContact CD2-CG2 4.27Å; W72-T76 HydrophobicContact CG-CG2 4.33Å; W72-T76 HydrophobicContact CZ2-CG2 4.4Å; W72-T76 WeakPolarHBondContact O-CG2 3.5Å; W72-T76 PolarHBondContact O-N 3.41Å; W72-T76 PolarHBondContact O-OG1 3.18Å
73D94.2Very high91.5Very high34 Ų3466.7 Ų66.718%0.18232%0.321CS..Hα-helixtrans-57.1-45.7-177.5-161.865.2000111.5M69 F75 T76 R77 Y97M69-D73 VanDerWaalsContact O-CB 3.29Å; M69-D73 WeakPolarHBondContact O-CB 3.43Å; M69-D73 PolarHBondContact O-N 3.07Å; D73-F75 PolarHBondContact O-N 3.06Å; D73-T76 PolarHBondContact O-N 2.89Å; D73-T76 VanDerWaalsContact O-N 3.14Å; D73-R77 VanDerWaalsContact CG-NE 3.29Å; D73-R77 WeakPolarHBondContact O-CB 3.31Å; D73-R77 PolarHBondContact O-N 3.5Å; D73-R77 IonicContact OD1-CZ 3.17Å; D73-R77 VanDerWaalsContact OD1-CZ 3.24Å; D73-R77 IonicContact OD1-NE 3.09Å; D73-R77 PolarHBondContact OD1-NE 2.95Å; D73-R77 IonicContact OD1-NH2 3.2Å; D73-R77 PolarHBondContact OD1-NH2 3.32Å; D73-R77 IonicContact OD2-CZ 2.93Å; D73-R77 IonicContact OD2-NE 3.93Å; D73-R77 PolarHBondContact OD2-NE 2.82Å; D73-R77 IonicContact OD2-NH2 3.24Å; D73-R77 PolarHBondContact OD2-NH2 2.85Å; D73-Y97 WeakPolarHBondContact O-CE1 3.43Å; D73-Y97 PolarHBondContact OD2-OH 3.21Å
74S93.7Very high89.9Confident1 Ų167.2 Ų67.21%0.00734%0.339CS..Hα-helixtrans-52.7-28.6176.6-60.80000114.3D70 W72 T96 N98 F101D70-S74 VanDerWaalsContact O-CB 3.3Å; D70-S74 WeakPolarHBondContact O-CB 3.17Å; D70-S74 PolarHBondContact O-N 3.02Å; D70-S74 PolarHBondContact O-OG 3.04Å; W72-S74 VanDerWaalsContact C-N 3.33Å; W72-S74 PolarHBondContact O-N 3.28Å; S74-T96 VanDerWaalsContact O-CB 3.31Å; S74-T96 WeakPolarHBondContact O-CB 3.42Å; S74-T96 VanDerWaalsContact O-CG2 3.23Å; S74-T96 WeakPolarHBondContact O-CG2 3.38Å; S74-N98 PolarHBondContact OG-ND2 3.08Å; S74-F101 WeakPolarHBondContact OG-CE2 3.3Å
75F93Very high88Confident7 Ų771.4 Ų71.43%0.03137%0.366CS..Hα-helixtrans-109.9-7.5-177.7-79.2-70.2000114.9M1 I4 Y71 W72 D73 P80 T96 F101 A103 V154M1-F75 VanDerWaalsContact CA-O 3.31Å; M1-F75 WeakPolarHBondContact CA-O 3.41Å; M1-F75 WeakPolarHBondContact CG-O 3.29Å; I4-F75 HydrophobicContact CD1-CB 3.79Å; I4-F75 HydrophobicContact CD1-CD1 3.85Å; I4-F75 HydrophobicContact CD1-CD2 4.12Å; I4-F75 HydrophobicContact CD1-CE1 4.49Å; I4-F75 HydrophobicContact CD1-CG 3.65Å; I4-F75 HydrophobicContact CG2-CB 4.25Å; Y71-F75 HydrophobicContact CD1-CD2 4.18Å; Y71-F75 HydrophobicContact CD2-CE2 4.24Å; Y71-F75 AromaticContact CE1-CD2 3.91Å; Y71-F75 HydrophobicContact CE1-CD2 3.91Å; Y71-F75 HydrophobicContact CE1-CE2 4.15Å; Y71-F75 HydrophobicContact CE2-CD2 4.27Å; Y71-F75 AromaticContact CE2-CE2 3.75Å; Y71-F75 HydrophobicContact CE2-CE2 3.75Å; Y71-F75 AromaticContact CZ-CD2 3.97Å; Y71-F75 AromaticContact CZ-CE2 3.72Å; Y71-F75 WeakPolarHBondContact O-CD2 3.42Å; W72-F75 PolarHBondContact O-N 2.68Å; D73-F75 PolarHBondContact O-N 3.06Å; F75-P80 HydrophobicContact CD1-CG 4.14Å; F75-T96 HydrophobicContact CD1-CG2 3.74Å; F75-T96 HydrophobicContact CD2-CG2 4.2Å; F75-T96 HydrophobicContact CE1-CG2 3.44Å; F75-T96 VanDerWaalsContact CE1-CG2 3.44Å; F75-T96 HydrophobicContact CE2-CG2 3.91Å; F75-T96 HydrophobicContact CG-CG2 4.11Å; F75-T96 HydrophobicContact CZ-CG2 3.51Å; F75-F101 HydrophobicContact CE2-CB 3.79Å; F75-F101 AromaticContact CE2-CD2 3.94Å; F75-F101 HydrophobicContact CE2-CD2 3.94Å; F75-F101 HydrophobicContact CE2-CG 4.04Å; F75-F101 HydrophobicContact CZ-CB 3.69Å; F75-F101 HydrophobicContact CZ-CG 4.44Å; F75-A103 HydrophobicContact CE1-CB 4.37Å; F75-V154 HydrophobicContact CE1-CG2 4.41Å; F75-V154 HydrophobicContact CE2-CG1 3.73Å; F75-V154 HydrophobicContact CZ-CB 4.41Å; F75-V154 HydrophobicContact CZ-CG1 3.47Å; F75-V154 VanDerWaalsContact CZ-CG1 3.47Å; F75-V154 HydrophobicContact CZ-CG2 3.98Å
76T91.2Very high86.2Confident31 Ų3173.7 Ų73.719%0.1936%0.359CS..Hα-helixtrans-116.1-34.6-177.258.40000113.6M1 N5 W72 D73M1-T76 WeakPolarHBondContact CE-O 3.48Å; N5-T76 HydrophobicContact CB-CG2 4.1Å; W72-T76 HydrophobicContact CD2-CG2 4.27Å; W72-T76 HydrophobicContact CG-CG2 4.33Å; W72-T76 HydrophobicContact CZ2-CG2 4.4Å; W72-T76 WeakPolarHBondContact O-CG2 3.5Å; W72-T76 PolarHBondContact O-N 3.41Å; W72-T76 PolarHBondContact O-OG1 3.18Å; D73-T76 PolarHBondContact O-N 2.89Å; D73-T76 VanDerWaalsContact O-N 3.14Å
77R89.9Confident83.8Confident144 Ų14476.8 Ų76.854%0.54339%0.394SS..SBendtrans-65.5-47.6-175.1-174.2-177-68.4-82.7-11.1113.1D73 Y97D73-R77 VanDerWaalsContact CG-NE 3.29Å; D73-R77 WeakPolarHBondContact O-CB 3.31Å; D73-R77 PolarHBondContact O-N 3.5Å; D73-R77 IonicContact OD1-CZ 3.17Å; D73-R77 VanDerWaalsContact OD1-CZ 3.24Å; D73-R77 IonicContact OD1-NE 3.09Å; D73-R77 PolarHBondContact OD1-NE 2.95Å; D73-R77 IonicContact OD1-NH2 3.2Å; D73-R77 PolarHBondContact OD1-NH2 3.32Å; D73-R77 IonicContact OD2-CZ 2.93Å; D73-R77 IonicContact OD2-NE 3.93Å; D73-R77 PolarHBondContact OD2-NE 2.82Å; D73-R77 IonicContact OD2-NH2 3.24Å; D73-R77 PolarHBondContact OD2-NH2 2.85Å; R77-Y97 HydrophobicContact CB-CE1 3.93Å
78H90.5Very high81.6Confident84 Ų8483.4 Ų83.439%0.38942%0.419SS..SBendtrans-135156.4176.9-60-67.1000111.2P80 Y97H78-P80 WeakPolarHBondContact O-CD 3.33Å; H78-Y97 HydrophobicContact CB-CD1 3.75Å; H78-Y97 HydrophobicContact CB-CE1 4.49Å; H78-Y97 HydrophobicContact CB-CG 3.79Å; H78-Y97 AromaticContact CD2-CD2 3.7Å; H78-Y97 AromaticContact CD2-CE2 3.95Å; H78-Y97 AromaticContact CD2-CG 3.81Å
79Q90.4Very high79.7Confident143 Ų14383.5 Ų83.567%0.66843%0.431SS*.PPolyproline II helixtrans-65.2128.1178.9-170.6177.233.200110.8M1M1-Q79 HydrophobicContact SD-CB 4.17Å; M1-Q79 HydrophobicContact SD-CG 4.26Å
80P90.7Very high78.1Confident19 Ų1982.1 Ų82.112%0.12345%0.445CS..PPolyproline II helixtrans-59.9137.8170.3-24.935.6000111.4F75 H78 L94 V95F75-P80 HydrophobicContact CD1-CG 4.14Å; H78-P80 WeakPolarHBondContact O-CD 3.33Å; P80-L94 HydrophobicContact CB-CB 4.21Å; P80-L94 HydrophobicContact CB-CD2 4.38Å; P80-V95 CarbonylContact C-O 3.55Å; P80-V95 VanDerWaalsContact CA-O 3.23Å; P80-V95 WeakPolarHBondContact CA-O 3.46Å; P80-V95 WeakPolarHBondContact CB-O 3.38Å
81L89Confident77.1Confident117 Ų11778.8 Ų78.861%0.61343%0.428SS*.EExtended strand (participates in β ladder)trans-92.2145-176.9-59.5178000110.8L94 V95L81-L94 CarbonylContact O-C 3.51Å; L81-L94 WeakPolarHBondContact O-CA 3.13Å; L81-V95 PolarHBondContact N-O 3.36Å; L81-V95 PolarHBondContact O-N 2.95Å
82W84.4Confident76.5Confident146 Ų14685 Ų8555%0.55346%0.455SS*.EExtended strand (participates in β ladder)trans-73.4129173.6-65.399.4000110.5S84 K92 L94W82-S84 PolarHBondContact O-N 3.4Å; W82-S84 VanDerWaalsContact O-N 3.1Å; W82-K92 HydrophobicContact CE3-CB 3.93Å; W82-K92 HydrophobicContact CE3-CD 4.35Å; W82-K92 HydrophobicContact CH2-CD 4.3Å; W82-K92 HydrophobicContact CZ3-CB 3.51Å; W82-K92 HydrophobicContact CZ3-CD 3.86Å; W82-K92 HydrophobicContact CZ3-CG 4.33Å; W82-L94 HydrophobicContact CD2-CD2 3.42Å; W82-L94 VanDerWaalsContact CD2-CD2 3.42Å; W82-L94 HydrophobicContact CD2-CG 4.03Å; W82-L94 HydrophobicContact CE3-CD2 3.65Å; W82-L94 HydrophobicContact CE3-CG 3.69Å; W82-L94 HydrophobicContact CG-CD2 3.81Å; W82-L94 HydrophobicContact CH2-CD1 4.01Å; W82-L94 HydrophobicContact CH2-CD2 4.25Å; W82-L94 HydrophobicContact CH2-CG 4.05Å; W82-L94 HydrophobicContact CZ2-CD1 4.33Å; W82-L94 HydrophobicContact CZ2-CD2 4.06Å; W82-L94 HydrophobicContact CZ2-CG 4.36Å; W82-L94 HydrophobicContact CZ3-CD1 4.11Å; W82-L94 HydrophobicContact CZ3-CD2 4.04Å; W82-L94 HydrophobicContact CZ3-CG 3.7Å
83D78.3Confident76.3Confident55 Ų5582.8 Ų82.829%0.29445%0.448SS..  trans-77.396.6170.1-177.82.9000109.6T85 F93 V95D83-T85 PolarHBondContact O-N 2.79Å; D83-T85 VanDerWaalsContact OD1-CB 3.29Å; D83-T85 WeakPolarHBondContact OD1-CB 3.07Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.13Å; D83-T85 PolarHBondContact OD1-N 2.92Å; D83-T85 PolarHBondContact OD1-OG1 3.15Å; D83-T85 PolarHBondContact OD2-OG1 2.96Å; D83-F93 HydrophobicContact CB-CB 4.22Å; D83-F93 PolarHBondContact N-O 2.88Å; D83-V95 HydrophobicContact CB-CG2 4.18Å
84S60.3Low76.2Confident111 Ų11182.7 Ų82.778%0.77645%0.447SS*.THydrogen-bonded Turntrans-68.8-6.4178.3-59.70000114W82 R86W82-S84 PolarHBondContact O-N 3.4Å; W82-S84 VanDerWaalsContact O-N 3.1Å; S84-R86 PolarHBondContact O-N 3.43Å
85T55.8Low76.1Confident101 Ų10183.9 Ų83.962%0.6246%0.455SS*.THydrogen-bonded Turntrans-81.9-11-170.469.80000115.1D83D83-T85 PolarHBondContact O-N 2.79Å; D83-T85 VanDerWaalsContact OD1-CB 3.29Å; D83-T85 WeakPolarHBondContact OD1-CB 3.07Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.13Å; D83-T85 PolarHBondContact OD1-N 2.92Å; D83-T85 PolarHBondContact OD1-OG1 3.15Å; D83-T85 PolarHBondContact OD2-OG1 2.96Å
86R54.8Low76.2Confident97 Ų9783.7 Ų83.737%0.36645%0.454SS..  trans-107.282.5178.6-76.8-168.8175.3-133.3-2.8113.7S84S84-R86 PolarHBondContact O-N 3.43Å
87G43.6Very low76.1Confident76 Ų7685.6 Ų85.678%0.78446%0.458SS*.  trans-96.737.4-175.800000118.2
88K47.6Very low76.2Confident217 Ų21780.5 Ų80.594%0.94344%0.442SS*.SBendtrans-141.1-14176.1-73.7-171.3-179.9172.10117.3
89S51.7Low76.2Confident92 Ų9284.2 Ų84.264%0.64345%0.452SS*.SBendtrans-112.1138173-172.60000108.5S91S89-S91 PolarHBondContact O-N 3.1Å; S89-S91 VanDerWaalsContact O-N 3.08Å
90G59.4Low76.3Confident81 Ų8179.1 Ų79.184%0.83543%0.428SS*.SBendtrans-67.1-8.6-174.300000115.2K92G90-K92 PolarHBondContact O-N 2.86Å
91S70.9Confident76.5Confident20 Ų2078.3 Ų78.314%0.1442%0.423CS..  trans-75.6116.4173.8-178.90000110.5S89 K104 T105S89-S91 PolarHBondContact O-N 3.1Å; S89-S91 VanDerWaalsContact O-N 3.08Å; S91-K104 WeakPolarHBondContact OG-CE 3.29Å; S91-K104 VanDerWaalsContact OG-CG 3.25Å; S91-K104 WeakPolarHBondContact OG-CG 3.3Å; S91-T105 WeakPolarHBondContact CB-O 3.43Å; S91-T105 PolarHBondContact OG-O 2.92Å
92K83.5Confident76.8Confident131 Ų13173.5 Ų73.557%0.5740%0.398SS*.  trans-88.1145.9176.2-58.8179.7-178.1178.40110.3W82 G90 T105W82-K92 HydrophobicContact CE3-CB 3.93Å; W82-K92 HydrophobicContact CE3-CD 4.35Å; W82-K92 HydrophobicContact CH2-CD 4.3Å; W82-K92 HydrophobicContact CZ3-CB 3.51Å; W82-K92 HydrophobicContact CZ3-CD 3.86Å; W82-K92 HydrophobicContact CZ3-CG 4.33Å; G90-K92 PolarHBondContact O-N 2.86Å; K92-T105 PolarHBondContact O-N 3.09Å; K92-T105 PolarHBondContact O-OG1 3.12Å
93F89.4Confident77.3Confident32 Ų3266.8 Ų66.814%0.1437%0.374CS..EExtended strand (participates in β ladder)trans-115137176.3-65.1-90.9000110.5D83 V102 K104D83-F93 HydrophobicContact CB-CB 4.22Å; D83-F93 PolarHBondContact N-O 2.88Å; F93-V102 HydrophobicContact CB-CG1 4.34Å; F93-V102 HydrophobicContact CD1-CG1 3.6Å; F93-V102 HydrophobicContact CE1-CG1 4.42Å; F93-V102 HydrophobicContact CG-CG1 4.43Å; F93-K104 HydrophobicContact CD1-CB 3.89Å; F93-K104 HydrophobicContact CD1-CG 4Å; F93-K104 HydrophobicContact CE1-CB 3.77Å; F93-K104 HydrophobicContact CE1-CD 3.77Å; F93-K104 HydrophobicContact CE1-CG 3.53Å; F93-K104 HydrophobicContact CZ-CD 4Å; F93-K104 HydrophobicContact CZ-CG 3.97Å
94L91.8Very high78Confident31 Ų3164.8 Ų64.816%0.16236%0.363CS..EExtended strand (participates in β ladder)trans-110.2138.3167.5-77165.4000108.3P80 L81 W82 V102 A103P80-L94 HydrophobicContact CB-CB 4.21Å; P80-L94 HydrophobicContact CB-CD2 4.38Å; L81-L94 CarbonylContact O-C 3.51Å; L81-L94 WeakPolarHBondContact O-CA 3.13Å; W82-L94 HydrophobicContact CD2-CD2 3.42Å; W82-L94 VanDerWaalsContact CD2-CD2 3.42Å; W82-L94 HydrophobicContact CD2-CG 4.03Å; W82-L94 HydrophobicContact CE3-CD2 3.65Å; W82-L94 HydrophobicContact CE3-CG 3.69Å; W82-L94 HydrophobicContact CG-CD2 3.81Å; W82-L94 HydrophobicContact CH2-CD1 4.01Å; W82-L94 HydrophobicContact CH2-CD2 4.25Å; W82-L94 HydrophobicContact CH2-CG 4.05Å; W82-L94 HydrophobicContact CZ2-CD1 4.33Å; W82-L94 HydrophobicContact CZ2-CD2 4.06Å; W82-L94 HydrophobicContact CZ2-CG 4.36Å; W82-L94 HydrophobicContact CZ3-CD1 4.11Å; W82-L94 HydrophobicContact CZ3-CD2 4.04Å; W82-L94 HydrophobicContact CZ3-CG 3.7Å; L94-V102 CarbonylContact O-C 3.56Å; L94-V102 WeakPolarHBondContact O-CA 3.18Å; L94-A103 HydrophobicContact CB-CB 3.99Å; L94-A103 PolarHBondContact N-O 2.92Å; L94-A103 PolarHBondContact O-N 2.63Å
95V92.5Very high79.6Confident27 Ų2761 Ų6116%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-118.7134.2178.7-176.60000108.4P80 L81 D83 R99 V102P80-V95 CarbonylContact C-O 3.55Å; P80-V95 VanDerWaalsContact CA-O 3.23Å; P80-V95 WeakPolarHBondContact CA-O 3.46Å; P80-V95 WeakPolarHBondContact CB-O 3.38Å; L81-V95 PolarHBondContact N-O 3.36Å; L81-V95 PolarHBondContact O-N 2.95Å; D83-V95 HydrophobicContact CB-CG2 4.18Å; V95-R99 HydrophobicContact CG1-CB 4.21Å; V95-R99 HydrophobicContact CG1-CG 4.19Å; V95-V102 HydrophobicContact CG2-CG2 4.43Å
96T93.9Very high81.4Confident3 Ų356.7 Ų56.72%0.01831%0.308CS..  trans-62.2154.5175.954.70000110.9S74 F75 N98 R99 Q100 F101S74-T96 VanDerWaalsContact O-CB 3.31Å; S74-T96 WeakPolarHBondContact O-CB 3.42Å; S74-T96 VanDerWaalsContact O-CG2 3.23Å; S74-T96 WeakPolarHBondContact O-CG2 3.38Å; F75-T96 HydrophobicContact CD1-CG2 3.74Å; F75-T96 HydrophobicContact CD2-CG2 4.2Å; F75-T96 HydrophobicContact CE1-CG2 3.44Å; F75-T96 VanDerWaalsContact CE1-CG2 3.44Å; F75-T96 HydrophobicContact CE2-CG2 3.91Å; F75-T96 HydrophobicContact CG-CG2 4.11Å; F75-T96 HydrophobicContact CZ-CG2 3.51Å; T96-N98 WeakPolarHBondContact CB-OD1 3.45Å; T96-N98 PolarHBondContact O-N 3Å; T96-N98 PolarHBondContact OG1-OD1 3.31Å; T96-R99 WeakPolarHBondContact O-CA 3.04Å; T96-R99 PolarHBondContact O-N 3.33Å; T96-Q100 PolarHBondContact OG1-N 2.99Å; T96-F101 HydrophobicContact CG2-CB 3.89Å; T96-F101 HydrophobicContact CG2-CD2 4.32Å; T96-F101 PolarHBondContact N-O 3.18Å; T96-F101 PolarHBondContact OG1-N 3.06Å; T96-F101 VanDerWaalsContact OG1-N 3.13Å; T96-F101 PolarHBondContact OG1-O 3.32Å
97Y90.6Very high83.2Confident70 Ų7054.4 Ų54.428%0.27531%0.307SS..THydrogen-bonded Turntrans-57.8-37.2-176.668.8-85.1000112.4D73 R77 H78 R99D73-Y97 WeakPolarHBondContact O-CE1 3.43Å; D73-Y97 PolarHBondContact OD2-OH 3.21Å; R77-Y97 HydrophobicContact CB-CE1 3.93Å; H78-Y97 HydrophobicContact CB-CD1 3.75Å; H78-Y97 HydrophobicContact CB-CE1 4.49Å; H78-Y97 HydrophobicContact CB-CG 3.79Å; H78-Y97 AromaticContact CD2-CD2 3.7Å; H78-Y97 AromaticContact CD2-CE2 3.95Å; H78-Y97 AromaticContact CD2-CG 3.81Å; Y97-R99 PolarHBondContact O-N 3.09Å
98N90.7Very high85.6Confident37 Ų3754.3 Ų54.320%0.19829%0.294CS..THydrogen-bonded Turntrans-81.85.3174.969.3-5.8000114S74 T96 Q100 P161S74-N98 PolarHBondContact OG-ND2 3.08Å; T96-N98 WeakPolarHBondContact CB-OD1 3.45Å; T96-N98 PolarHBondContact O-N 3Å; T96-N98 PolarHBondContact OG1-OD1 3.31Å; N98-Q100 HydrophobicContact CB-CG 4.46Å; N98-Q100 VanDerWaalsContact ND2-CD 3.31Å; N98-Q100 PolarHBondContact O-N 3.07Å; N98-Q100 PolarHBondContact OD1-N 3Å; N98-P161 WeakPolarHBondContact O-CB 3.46Å
99R91.2Very high87.7Confident162 Ų16248.9 Ų48.961%0.61127%0.272SS*.SBendtrans58.110.6177.6-55.6-179.5179.6-155.20.8116.5V95 T96 Y97 N157 P161V95-R99 HydrophobicContact CG1-CB 4.21Å; V95-R99 HydrophobicContact CG1-CG 4.19Å; T96-R99 WeakPolarHBondContact O-CA 3.04Å; T96-R99 PolarHBondContact O-N 3.33Å; Y97-R99 PolarHBondContact O-N 3.09Å; R99-N157 VanDerWaalsContact O-CB 3.26Å; R99-N157 WeakPolarHBondContact O-CB 2.98Å; R99-N157 PolarHBondContact O-ND2 2.82Å; R99-P161 HydrophobicContact CB-CB 4.03Å
100Q92.7Very high89.7Confident36 Ų3646.2 Ų46.217%0.16825%0.25CC..SBendtrans-73.6-31.6-178.8-66.8-174.82.600113.7T96 N98 N157 P161 L389T96-Q100 PolarHBondContact OG1-N 2.99Å; N98-Q100 HydrophobicContact CB-CG 4.46Å; N98-Q100 VanDerWaalsContact ND2-CD 3.31Å; N98-Q100 PolarHBondContact O-N 3.07Å; N98-Q100 PolarHBondContact OD1-N 3Å; Q100-N157 WeakPolarHBondContact O-CB 3.25Å; Q100-N157 PolarHBondContact O-N 3.11Å; Q100-P161 HydrophobicContact CG-CB 4.35Å; Q100-P161 HydrophobicContact CG-CG 4.29Å; Q100-L389 HydrophobicContact CG-CD2 4.15Å
101F95.1Very high91.4Very high2 Ų242.8 Ų42.81%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-128.8148.7-173.8-51.7-65.1000112.3V66 Y71 S74 F75 T96 L138 V154 M155V66-F101 HydrophobicContact CG1-CE1 4.15Å; V66-F101 HydrophobicContact CG1-CZ 3.86Å; V66-F101 HydrophobicContact CG2-CE1 4.2Å; Y71-F101 HydrophobicContact CD2-CD1 4.47Å; Y71-F101 HydrophobicContact CD2-CD2 4.33Å; Y71-F101 HydrophobicContact CD2-CE1 4.24Å; Y71-F101 HydrophobicContact CD2-CE2 4.09Å; Y71-F101 HydrophobicContact CD2-CZ 4.05Å; S74-F101 WeakPolarHBondContact OG-CE2 3.3Å; F75-F101 HydrophobicContact CE2-CB 3.79Å; F75-F101 AromaticContact CE2-CD2 3.94Å; F75-F101 HydrophobicContact CE2-CD2 3.94Å; F75-F101 HydrophobicContact CE2-CG 4.04Å; F75-F101 HydrophobicContact CZ-CB 3.69Å; F75-F101 HydrophobicContact CZ-CG 4.44Å; T96-F101 HydrophobicContact CG2-CB 3.89Å; T96-F101 HydrophobicContact CG2-CD2 4.32Å; T96-F101 PolarHBondContact N-O 3.18Å; T96-F101 PolarHBondContact OG1-N 3.06Å; T96-F101 VanDerWaalsContact OG1-N 3.13Å; T96-F101 PolarHBondContact OG1-O 3.32Å; F101-L138 HydrophobicContact CD1-CD1 3.28Å; F101-L138 HydrophobicContact CE1-CD1 3.36Å; F101-L138 HydrophobicContact CG-CD1 4.36Å; F101-L138 HydrophobicContact CZ-CD1 4.48Å; F101-V154 HydrophobicContact CB-CG1 4.32Å; F101-M155 WeakPolarHBondContact CA-O 3.49Å
102V94.3Very high92.5Very high16 Ų1647.5 Ų47.510%0.09723%0.232CC..EExtended strand (participates in β ladder)trans-120.7127.9178.3-1800000108.9F93 L94 V95 V154 M155 N157F93-V102 HydrophobicContact CB-CG1 4.34Å; F93-V102 HydrophobicContact CD1-CG1 3.6Å; F93-V102 HydrophobicContact CE1-CG1 4.42Å; F93-V102 HydrophobicContact CG-CG1 4.43Å; L94-V102 CarbonylContact O-C 3.56Å; L94-V102 WeakPolarHBondContact O-CA 3.18Å; V95-V102 HydrophobicContact CG2-CG2 4.43Å; V102-V154 WeakPolarHBondContact O-CA 3.38Å; V102-M155 HydrophobicContact CB-CG 4.26Å; V102-M155 PolarHBondContact N-O 2.68Å; V102-M155 PolarHBondContact O-N 3.47Å; V102-N157 HydrophobicContact CG2-CB 3.82Å
103A94.9Very high93Very high5 Ų541.9 Ų41.94%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-105.7104.7174.200000108.9F75 L94 I152 V154F75-A103 HydrophobicContact CE1-CB 4.37Å; L94-A103 HydrophobicContact CB-CB 3.99Å; L94-A103 PolarHBondContact N-O 2.92Å; L94-A103 PolarHBondContact O-N 2.63Å; A103-I152 HydrophobicContact CB-CG2 3.72Å; A103-V154 HydrophobicContact CB-CG2 4.1Å
104K93.7Very high93.2Very high13 Ų1340.3 Ų40.36%0.05720%0.201CC..EExtended strand (participates in β ladder)trans-88.2130.9178.6-177.1-175.9173.9-168.20110S91 F93 I106 E110 I152 L153 M155 D412S91-K104 WeakPolarHBondContact OG-CE 3.29Å; S91-K104 VanDerWaalsContact OG-CG 3.25Å; S91-K104 WeakPolarHBondContact OG-CG 3.3Å; F93-K104 HydrophobicContact CD1-CB 3.89Å; F93-K104 HydrophobicContact CD1-CG 4Å; F93-K104 HydrophobicContact CE1-CB 3.77Å; F93-K104 HydrophobicContact CE1-CD 3.77Å; F93-K104 HydrophobicContact CE1-CG 3.53Å; F93-K104 HydrophobicContact CZ-CD 4Å; F93-K104 HydrophobicContact CZ-CG 3.97Å; K104-I106 HydrophobicContact CB-CG2 4.43Å; K104-I106 HydrophobicContact CD-CG2 3.82Å; K104-I106 HydrophobicContact CG-CG2 3.9Å; K104-E110 IonicContact NZ-OE1 2.79Å; K104-E110 PolarHBondContact NZ-OE1 3.12Å; K104-E110 VanDerWaalsContact NZ-OE1 3.09Å; K104-I152 WeakPolarHBondContact O-CA 3.18Å; K104-L153 PolarHBondContact N-O 2.82Å; K104-L153 PolarHBondContact O-N 3.19Å; K104-M155 HydrophobicContact CB-CE 3.74Å; K104-M155 HydrophobicContact CD-CE 4.35Å; K104-D412 IonicContact NZ-OD1 3.7Å; K104-D412 PolarHBondContact NZ-OD1 2.94Å
105T93.6Very high93.4Very high33 Ų3341.7 Ų41.720%0.20221%0.207CC..EExtended strand (participates in β ladder)trans-75.3122.4165.5-50.50000109.7S91 K92 Y151 I152S91-T105 WeakPolarHBondContact CB-O 3.43Å; S91-T105 PolarHBondContact OG-O 2.92Å; K92-T105 PolarHBondContact O-N 3.09Å; K92-T105 PolarHBondContact O-OG1 3.12Å; T105-Y151 WeakPolarHBondContact CA-O 3.29Å; T105-I152 HydrophobicContact CG2-CD1 4.47Å
106I93.9Very high93.4Very high10 Ų1044 Ų445%0.05122%0.216CC..EExtended strand (participates in β ladder)trans-119.2163.2-179.261.9166.6000111.7K104 E110 V111 L140 Y151 L153 L414K104-I106 HydrophobicContact CB-CG2 4.43Å; K104-I106 HydrophobicContact CD-CG2 3.82Å; K104-I106 HydrophobicContact CG-CG2 3.9Å; I106-E110 WeakPolarHBondContact CA-OE2 3.41Å; I106-E110 HydrophobicContact CB-CB 3.93Å; I106-E110 HydrophobicContact CD1-CB 4.17Å; I106-V111 HydrophobicContact CD1-CG2 3.52Å; I106-V111 HydrophobicContact CG1-CG2 3.94Å; I106-L140 HydrophobicContact CD1-CD1 3.96Å; I106-Y151 PolarHBondContact N-O 3.06Å; I106-L153 HydrophobicContact CD1-CB 3.92Å; I106-L153 HydrophobicContact CD1-CD2 4.35Å; I106-L153 HydrophobicContact CG1-CB 4.33Å; I106-L153 HydrophobicContact CG2-CB 4.23Å; I106-L414 HydrophobicContact CD1-CD1 4.43Å
107S93Very high93.4Very high48 Ų4843.9 Ų43.934%0.33622%0.215SC..  trans-80.5162.6173.958.70000112.5E109 E110 V111S107-E109 PolarHBondContact O-N 3.23Å; S107-E110 PolarHBondContact N-OE2 2.71Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 WeakPolarHBondContact OG-CB 3.48Å; S107-E110 WeakPolarHBondContact OG-CG 3.4Å; S107-E110 PolarHBondContact OG-N 3.06Å; S107-E110 PolarHBondContact OG-OE2 3.26Å; S107-V111 WeakPolarHBondContact O-CG2 3.42Å; S107-V111 PolarHBondContact O-N 3.09Å; S107-V111 VanDerWaalsContact O-N 3.08Å
108S92.6Very high93.7Very high74 Ų7440.6 Ų40.652%0.51720%0.202SC..Hα-helixtrans-60.8-33.5171.346.90000112.6V111 E112S108-V111 WeakPolarHBondContact O-CB 3.38Å; S108-V111 PolarHBondContact O-N 3Å; S108-E112 PolarHBondContact O-N 3.16Å
109E91.7Very high93.9Very high104 Ų10442.5 Ų42.549%0.48621%0.21SC..Hα-helixtrans-64.4-40.9174.4-56.3-172.4168.100111.8S107 V111 E112 Q113 R420S107-E109 PolarHBondContact O-N 3.23Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-E112 PolarHBondContact O-N 3.12Å; E109-Q113 PolarHBondContact O-N 3.34Å; E109-R420 IonicContact OE1-CZ 3.74Å; E109-R420 IonicContact OE1-NH1 2.76Å; E109-R420 PolarHBondContact OE1-NH1 2.73Å; E109-R420 IonicContact OE1-NH2 3.95Å; E109-R420 PolarHBondContact OE1-NH2 3.45Å; E109-R420 IonicContact OE2-CZ 2.76Å; E109-R420 IonicContact OE2-NH1 2.7Å; E109-R420 PolarHBondContact OE2-NH1 2.73Å; E109-R420 IonicContact OE2-NH2 3.2Å
110E93.7Very high94.1Very high35 Ų3539.1 Ų39.116%0.16420%0.201CC..Hα-helixtrans-67.2-31.8173.6-78.8168.6110.500112.4K104 I106 S107 M114 L414K104-E110 IonicContact NZ-OE1 2.79Å; K104-E110 PolarHBondContact NZ-OE1 3.12Å; K104-E110 VanDerWaalsContact NZ-OE1 3.09Å; I106-E110 WeakPolarHBondContact CA-OE2 3.41Å; I106-E110 HydrophobicContact CB-CB 3.93Å; I106-E110 HydrophobicContact CD1-CB 4.17Å; S107-E110 PolarHBondContact N-OE2 2.71Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 WeakPolarHBondContact OG-CB 3.48Å; S107-E110 WeakPolarHBondContact OG-CG 3.4Å; S107-E110 PolarHBondContact OG-N 3.06Å; S107-E110 PolarHBondContact OG-OE2 3.26Å; E110-M114 WeakPolarHBondContact O-CB 3.37Å; E110-M114 PolarHBondContact O-N 3.34Å; E110-L414 HydrophobicContact CB-CB 4.23Å; E110-L414 HydrophobicContact CB-CD1 3.94Å; E110-L414 HydrophobicContact CG-CB 3.92Å; E110-L414 HydrophobicContact CG-CD1 4.29Å
111V95.4Very high94.3Very high9 Ų937.4 Ų37.46%0.05519%0.193CC..Hα-helixtrans-68.1-44.7174.6172.60000111I106 S107 S108 E109 Q113 M114 H115 L140 Y151I106-V111 HydrophobicContact CD1-CG2 3.52Å; I106-V111 HydrophobicContact CG1-CG2 3.94Å; S107-V111 WeakPolarHBondContact O-CG2 3.42Å; S107-V111 PolarHBondContact O-N 3.09Å; S107-V111 VanDerWaalsContact O-N 3.08Å; S108-V111 WeakPolarHBondContact O-CB 3.38Å; S108-V111 PolarHBondContact O-N 3Å; E109-V111 VanDerWaalsContact C-N 3.34Å; V111-Q113 VanDerWaalsContact C-N 3.32Å; V111-M114 WeakPolarHBondContact O-CB 3.48Å; V111-M114 PolarHBondContact O-N 3.06Å; V111-H115 PolarHBondContact O-CD2 3.21Å; V111-H115 PolarHBondContact O-N 2.93Å; V111-L140 HydrophobicContact CG1-CD2 4.41Å; V111-L140 HydrophobicContact CG2-CD1 4.4Å; V111-Y151 HydrophobicContact CB-CD1 4.36Å; V111-Y151 HydrophobicContact CG1-CD1 4.3Å; V111-Y151 HydrophobicContact CG1-CE1 4.46Å; V111-Y151 HydrophobicContact CG2-CD1 3.45Å; V111-Y151 VanDerWaalsContact CG2-CD1 3.45Å; V111-Y151 HydrophobicContact CG2-CE1 4.19Å; V111-Y151 HydrophobicContact CG2-CG 3.65Å
112E94.3Very high94.4Very high119 Ų11938.8 Ų38.856%0.55620%0.198SC*.Hα-helixtrans-60.8-44.7174.6-162-162153.300110.5S108 E109 M114 H115 Q116S108-E112 PolarHBondContact O-N 3.16Å; E109-E112 PolarHBondContact O-N 3.12Å; E112-M114 VanDerWaalsContact C-N 3.34Å; E112-M114 PolarHBondContact O-N 3.49Å; E112-H115 PolarHBondContact O-N 3.1Å; E112-Q116 WeakPolarHBondContact O-CG 3.46Å; E112-Q116 PolarHBondContact O-N 2.75Å; E112-Q116 PolarHBondContact OE1-NE2 2.61Å
113Q93.2Very high94.5Very high13 Ų1340.3 Ų40.36%0.06121%0.21CC..Hα-helixtrans-62.9-39.5175.8-17652.450.200112.8E109 V111 H115 Q116 M117 L217 L414 R416E109-Q113 PolarHBondContact O-N 3.34Å; V111-Q113 VanDerWaalsContact C-N 3.32Å; Q113-H115 VanDerWaalsContact C-N 3.32Å; Q113-H115 PolarHBondContact O-N 3.43Å; Q113-Q116 PolarHBondContact O-N 3.35Å; Q113-M117 WeakPolarHBondContact O-CG 3.41Å; Q113-M117 PolarHBondContact O-N 2.84Å; Q113-L217 HydrophobicContact CG-CD2 4.14Å; Q113-L414 WeakPolarHBondContact CG-O 3.2Å; Q113-R416 HydrophobicContact CG-CB 4.44Å; Q113-R416 VanDerWaalsContact OE1-CB 3.27Å
114M95Very high94.5Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-59.5-44.1175-174.867.5-13800110.8F57 E110 V111 E112 M117 L118 F137 L140 L153 L414F57-M114 HydrophobicContact CZ-CE 4.37Å; E110-M114 WeakPolarHBondContact O-CB 3.37Å; E110-M114 PolarHBondContact O-N 3.34Å; V111-M114 WeakPolarHBondContact O-CB 3.48Å; V111-M114 PolarHBondContact O-N 3.06Å; E112-M114 VanDerWaalsContact C-N 3.34Å; E112-M114 PolarHBondContact O-N 3.49Å; M114-M117 HydrophobicContact CE-CE 4.25Å; M114-M117 PolarHBondContact O-N 2.85Å; M114-M117 HydrophobicContact SD-CE 3.79Å; M114-L118 HydrophobicContact CE-CB 4.48Å; M114-L118 HydrophobicContact CE-CD1 3.55Å; M114-L118 WeakPolarHBondContact O-CB 3.48Å; M114-L118 PolarHBondContact O-N 3.08Å; M114-L118 VanDerWaalsContact O-N 3.16Å; M114-F137 HydrophobicContact CE-CD2 3.61Å; M114-F137 HydrophobicContact CE-CE2 4.05Å; M114-F137 HydrophobicContact CE-CG 4.23Å; M114-F137 HydrophobicContact SD-CD2 3.88Å; M114-F137 HydrophobicContact SD-CE2 3.85Å; M114-F137 HydrophobicContact SD-CG 4.34Å; M114-F137 HydrophobicContact SD-CZ 4.29Å; M114-L140 HydrophobicContact CB-CD2 4.42Å; M114-L140 HydrophobicContact CG-CD2 4.01Å; M114-L153 HydrophobicContact SD-CD1 4.45Å; M114-L414 HydrophobicContact CB-CD2 4.19Å; M114-L414 HydrophobicContact SD-CD2 3.93Å
115H94.7Very high94.7Very high59 Ų5941.5 Ų41.527%0.27321%0.213SC..Hα-helixtrans-64.1-40.2174.1-83.7-72.2000113.2Y52 C53 V111 E112 Q113 M117 L118Y52-H115 AromaticContact CD1-CE1 3.68Å; Y52-H115 AromaticContact CD1-NE2 3.1Å; Y52-H115 WeakPolarHBondContact CD1-NE2 3.23Å; Y52-H115 AromaticContact CE1-NE2 3.72Å; Y52-H115 AromaticContact CG-NE2 3.71Å; C53-H115 PolarHBondContact SG-CE1 2.86Å; V111-H115 PolarHBondContact O-CD2 3.21Å; V111-H115 PolarHBondContact O-N 2.93Å; E112-H115 PolarHBondContact O-N 3.1Å; Q113-H115 VanDerWaalsContact C-N 3.32Å; Q113-H115 PolarHBondContact O-N 3.43Å; H115-M117 PolarHBondContact O-N 2.8Å; H115-L118 PolarHBondContact O-N 2.99Å
116Q93.1Very high94.8Very high76 Ų7642.3 Ų42.336%0.35522%0.218SC..Hα-helixtrans-64.8-22.5179.8-73.717726.600113.9E112 Q113E112-Q116 WeakPolarHBondContact O-CG 3.46Å; E112-Q116 PolarHBondContact O-N 2.75Å; E112-Q116 PolarHBondContact OE1-NE2 2.61Å; Q113-Q116 PolarHBondContact O-N 3.35Å
117M94Very high94.8Very high0 Ų049.2 Ų49.20%025%0.248CC..THydrogen-bonded Turntrans-113.62.3-178.875.3-175.5-150.500114.2Q113 M114 H115 Y121 F137 L217 I413 L414Q113-M117 WeakPolarHBondContact O-CG 3.41Å; Q113-M117 PolarHBondContact O-N 2.84Å; M114-M117 HydrophobicContact CE-CE 4.25Å; M114-M117 PolarHBondContact O-N 2.85Å; M114-M117 HydrophobicContact SD-CE 3.79Å; H115-M117 PolarHBondContact O-N 2.8Å; M117-Y121 WeakPolarHBondContact O-CB 3.45Å; M117-Y121 PolarHBondContact O-N 3.05Å; M117-F137 HydrophobicContact CE-CE2 3.7Å; M117-F137 HydrophobicContact CE-CZ 4.28Å; M117-L217 HydrophobicContact SD-CD1 3.76Å; M117-L217 HydrophobicContact SD-CD2 4.45Å; M117-I413 HydrophobicContact CE-CD1 3.9Å; M117-I413 HydrophobicContact CE-CG1 4.34Å; M117-L414 HydrophobicContact CE-CD2 3.43Å; M117-L414 VanDerWaalsContact CE-CD2 3.43Å; M117-L414 HydrophobicContact SD-CD2 3.96Å
118L96.2Very high94.7Very high2 Ų248.3 Ų48.31%0.0125%0.246CC..Hα-helixtrans-71.8-33.8-169.7-177.764.8000113F25 C53 V56 F57 L60 M114 H115 Y122F25-L118 HydrophobicContact CD1-CB 4.31Å; F25-L118 HydrophobicContact CD1-CD2 4.03Å; F25-L118 HydrophobicContact CD1-CG 3.81Å; F25-L118 HydrophobicContact CE1-CG 4.14Å; C53-L118 HydrophobicContact CB-CD2 3.73Å; C53-L118 VanDerWaalsContact SG-CD2 3.53Å; V56-L118 HydrophobicContact CB-CD2 4.46Å; V56-L118 HydrophobicContact CG1-CD1 4.1Å; V56-L118 HydrophobicContact CG1-CD2 4.16Å; V56-L118 HydrophobicContact CG1-CG 4.11Å; F57-L118 HydrophobicContact CE2-CD2 4.46Å; F57-L118 HydrophobicContact CZ-CD1 4.21Å; L60-L118 HydrophobicContact CD1-CD1 4.32Å; M114-L118 HydrophobicContact CE-CB 4.48Å; M114-L118 HydrophobicContact CE-CD1 3.55Å; M114-L118 WeakPolarHBondContact O-CB 3.48Å; M114-L118 PolarHBondContact O-N 3.08Å; M114-L118 VanDerWaalsContact O-N 3.16Å; H115-L118 PolarHBondContact O-N 2.99Å; L118-Y122 VanDerWaalsContact O-CB 3.25Å; L118-Y122 WeakPolarHBondContact O-CB 3.37Å; L118-Y122 PolarHBondContact O-N 2.79Å
119E95.8Very high94.7Very high77 Ų7752.4 Ų52.436%0.3626%0.257SS..Hα-helixtrans-69-44.7178.4-168.4171.8161.100110.2K22 F25 S123K22-E119 IonicContact NZ-OE1 2.7Å; K22-E119 PolarHBondContact NZ-OE1 2.83Å; K22-E119 IonicContact NZ-OE2 3.5Å; F25-E119 HydrophobicContact CD1-CB 4.11Å; F25-E119 HydrophobicContact CE1-CB 4.24Å; E119-S123 WeakPolarHBondContact O-CB 3.29Å; E119-S123 PolarHBondContact O-N 3.35Å
120E95.5Very high94.6Very high91 Ų9147.6 Ų47.643%0.42524%0.235SC..Hα-helixtrans-65-47.8175.1-65.273.1-164.400111.4S123 Y124 F211E120-S123 WeakPolarHBondContact O-CB 3.47Å; E120-S123 PolarHBondContact O-N 2.76Å; E120-Y124 WeakPolarHBondContact O-CB 3.29Å; E120-Y124 PolarHBondContact O-N 2.81Å; E120-F211 HydrophobicContact CB-CE2 4.1Å
121Y97.1Very high94.6Very high0 Ų050.7 Ų50.70%025%0.249CC..Hα-helixtrans-59.4-48.2176.6175.7-96.4000111.1L60 F64 M117 S123 Y124 I125 P135 Q136 F137 F211L60-Y121 HydrophobicContact CD1-CD1 4.34Å; L60-Y121 HydrophobicContact CD1-CE1 4Å; L60-Y121 HydrophobicContact CD2-CD1 4.34Å; L60-Y121 HydrophobicContact CD2-CE1 3.91Å; F64-Y121 HydrophobicContact CZ-CE1 4.5Å; F64-Y121 WeakPolarHBondContact CZ-OH 3.3Å; M117-Y121 WeakPolarHBondContact O-CB 3.45Å; M117-Y121 PolarHBondContact O-N 3.05Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 2.88Å; Y121-Y124 WeakPolarHBondContact O-CB 3.47Å; Y121-Y124 PolarHBondContact O-N 3.49Å; Y121-Y124 VanDerWaalsContact O-N 3.17Å; Y121-I125 HydrophobicContact CD1-CG1 4.13Å; Y121-I125 HydrophobicContact CD2-CG1 4.39Å; Y121-I125 HydrophobicContact CE1-CD1 4.49Å; Y121-I125 HydrophobicContact CE1-CG1 3.76Å; Y121-I125 HydrophobicContact CE2-CD1 4.05Å; Y121-I125 HydrophobicContact CE2-CG1 4.06Å; Y121-I125 HydrophobicContact CG-CG1 4.44Å; Y121-I125 WeakPolarHBondContact O-CG1 3.29Å; Y121-I125 PolarHBondContact O-N 3.11Å; Y121-P135 PolarHBondContact OH-O 3.37Å; Y121-Q136 WeakPolarHBondContact OH-CA 3.25Å; Y121-F137 HydrophobicContact CD1-CD2 4.35Å; Y121-F137 HydrophobicContact CD2-CD2 4.41Å; Y121-F137 HydrophobicContact CD2-CE2 4.42Å; Y121-F137 HydrophobicContact CE1-CB 4.42Å; Y121-F137 AromaticContact CE1-CD2 3.79Å; Y121-F137 HydrophobicContact CE1-CD2 3.79Å; Y121-F137 AromaticContact CE2-CD2 3.83Å; Y121-F137 HydrophobicContact CE2-CD2 3.83Å; Y121-F137 AromaticContact CE2-CE2 3.98Å; Y121-F137 HydrophobicContact CE2-CE2 3.98Å; Y121-F137 AromaticContact CZ-CD2 3.48Å; Y121-F137 VanDerWaalsContact CZ-CD2 3.48Å; Y121-F137 PolarHBondContact OH-N 3.45Å; Y121-F137 VanDerWaalsContact OH-N 3.08Å; Y121-F211 HydrophobicContact CD2-CE1 4.33Å; Y121-F211 HydrophobicContact CD2-CZ 4.19Å
122Y96.8Very high94.6Very high30 Ų3050.4 Ų50.412%0.11825%0.248CC..Hα-helixtrans-59.6-44.1176.4178.2-94.3000111.5L20 F25 V56 S59 L60 R63 L118 Y124 I125 V126L20-Y122 HydrophobicContact CD1-CD1 4.34Å; L20-Y122 HydrophobicContact CD1-CD2 4.08Å; L20-Y122 HydrophobicContact CD1-CE1 3.83Å; L20-Y122 HydrophobicContact CD1-CE2 3.55Å; L20-Y122 HydrophobicContact CD1-CG 4.45Å; L20-Y122 VanDerWaalsContact CD1-CZ 3.4Å; F25-Y122 HydrophobicContact CE1-CD1 4.48Å; F25-Y122 HydrophobicContact CE1-CG 4.2Å; F25-Y122 AromaticContact CZ-CD1 3.85Å; F25-Y122 HydrophobicContact CZ-CD1 3.85Å; F25-Y122 AromaticContact CZ-CG 3.98Å; F25-Y122 HydrophobicContact CZ-CG 3.98Å; V56-Y122 HydrophobicContact CG1-CD2 4.07Å; V56-Y122 HydrophobicContact CG1-CG 4.44Å; S59-Y122 PolarHBondContact OG-OH 2.81Å; L60-Y122 HydrophobicContact CD2-CD2 3.85Å; L60-Y122 HydrophobicContact CG-CD2 4.08Å; R63-Y122 PolarHBondContact NE-OH 2.82Å; R63-Y122 PolarHBondContact NH2-OH 2.93Å; L118-Y122 VanDerWaalsContact O-CB 3.25Å; L118-Y122 WeakPolarHBondContact O-CB 3.37Å; L118-Y122 PolarHBondContact O-N 2.79Å; Y122-Y124 VanDerWaalsContact C-N 3.33Å; Y122-Y124 PolarHBondContact O-N 2.92Å; Y122-I125 PolarHBondContact O-N 3.18Å; Y122-V126 HydrophobicContact CD1-CG2 3.93Å; Y122-V126 HydrophobicContact CE1-CG2 3.56Å; Y122-V126 HydrophobicContact CE2-CG2 4.23Å; Y122-V126 HydrophobicContact CG-CG2 4.41Å; Y122-V126 WeakPolarHBondContact O-CG2 3.38Å; Y122-V126 PolarHBondContact O-N 3.46Å
123S95.9Very high94.7Very high49 Ų4945.4 Ų45.434%0.34323%0.225SC..Hα-helixtrans-59.3-41.5175.1-171.40000112.5E119 E120 Y121 V126 K127E119-S123 WeakPolarHBondContact O-CB 3.29Å; E119-S123 PolarHBondContact O-N 3.35Å; E120-S123 WeakPolarHBondContact O-CB 3.47Å; E120-S123 PolarHBondContact O-N 2.76Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 2.88Å; S123-V126 PolarHBondContact O-N 3.44Å; S123-K127 VanDerWaalsContact O-CG 3.28Å; S123-K127 WeakPolarHBondContact O-CG 3.38Å; S123-K127 PolarHBondContact O-N 2.86Å; S123-K127 VanDerWaalsContact O-N 3.1Å
124Y96.6Very high94.8Very high40 Ų4044.8 Ų44.816%0.15722%0.222CC..Hα-helixtrans-63.8-49.7176-176.4-104.7000111.9E120 Y121 Y122 V126 K127 G128 L134 C207 D208 F211E120-Y124 WeakPolarHBondContact O-CB 3.29Å; E120-Y124 PolarHBondContact O-N 2.81Å; Y121-Y124 WeakPolarHBondContact O-CB 3.47Å; Y121-Y124 PolarHBondContact O-N 3.49Å; Y121-Y124 VanDerWaalsContact O-N 3.17Å; Y122-Y124 VanDerWaalsContact C-N 3.33Å; Y122-Y124 PolarHBondContact O-N 2.92Å; Y124-V126 VanDerWaalsContact C-N 3.3Å; Y124-V126 PolarHBondContact O-N 2.93Å; Y124-K127 PolarHBondContact O-N 2.88Å; Y124-K127 VanDerWaalsContact O-N 3.15Å; Y124-G128 PolarHBondContact O-N 3.31Å; Y124-L134 HydrophobicContact CD1-CD1 3.94Å; Y124-L134 HydrophobicContact CE1-CD1 3.65Å; Y124-C207 HydrophobicContact CE2-CB 4.48Å; Y124-C207 VanDerWaalsContact OH-CB 3.27Å; Y124-C207 WeakPolarHBondContact OH-CB 3.48Å; Y124-C207 PolarHBondContact OH-O 2.87Å; Y124-D208 VanDerWaalsContact CE1-OD1 3.28Å; Y124-D208 WeakPolarHBondContact CE1-OD1 3.42Å; Y124-D208 VanDerWaalsContact CZ-OD1 3.32Å; Y124-D208 WeakPolarHBondContact OH-CA 3.43Å; Y124-D208 PolarHBondContact OH-N 3.3Å; Y124-D208 VanDerWaalsContact OH-N 3.12Å; Y124-D208 PolarHBondContact OH-OD1 3.08Å; Y124-F211 HydrophobicContact CD1-CD2 4.25Å; Y124-F211 HydrophobicContact CD1-CG 4.2Å; Y124-F211 HydrophobicContact CD2-CB 3.98Å; Y124-F211 AromaticContact CD2-CD2 3.89Å; Y124-F211 HydrophobicContact CD2-CD2 3.89Å; Y124-F211 HydrophobicContact CD2-CG 4.13Å; Y124-F211 HydrophobicContact CE1-CB 4.48Å; Y124-F211 HydrophobicContact CE2-CB 3.91Å; Y124-F211 HydrophobicContact CE2-CG 4.46Å; Y124-F211 HydrophobicContact CG-CB 4.32Å; Y124-F211 AromaticContact CG-CD2 3.68Å; Y124-F211 HydrophobicContact CG-CD2 3.68Å; Y124-F211 HydrophobicContact CG-CE2 4.23Å; Y124-F211 HydrophobicContact CG-CG 4.01Å
125I96.7Very high94.9Very high2 Ų245.2 Ų45.21%0.0123%0.225CC..Hα-helixtrans-60.4-37.2176.9-64.3-52.1000112.3L60 R63 F64 Y121 Y122 H129 G130 T132L60-I125 HydrophobicContact CD2-CB 4.22Å; L60-I125 HydrophobicContact CD2-CG1 4.27Å; L60-I125 HydrophobicContact CD2-CG2 4.01Å; R63-I125 HydrophobicContact CB-CG2 4.38Å; F64-I125 HydrophobicContact CD1-CG2 4.4Å; F64-I125 HydrophobicContact CE1-CD1 3.84Å; F64-I125 HydrophobicContact CE1-CG1 4.19Å; F64-I125 HydrophobicContact CE1-CG2 3.6Å; F64-I125 HydrophobicContact CZ-CB 4.43Å; F64-I125 HydrophobicContact CZ-CD1 3.78Å; F64-I125 HydrophobicContact CZ-CG1 3.81Å; F64-I125 HydrophobicContact CZ-CG2 3.71Å; Y121-I125 HydrophobicContact CD1-CG1 4.13Å; Y121-I125 HydrophobicContact CD2-CG1 4.39Å; Y121-I125 HydrophobicContact CE1-CD1 4.49Å; Y121-I125 HydrophobicContact CE1-CG1 3.76Å; Y121-I125 HydrophobicContact CE2-CD1 4.05Å; Y121-I125 HydrophobicContact CE2-CG1 4.06Å; Y121-I125 HydrophobicContact CG-CG1 4.44Å; Y121-I125 WeakPolarHBondContact O-CG1 3.29Å; Y121-I125 PolarHBondContact O-N 3.11Å; Y122-I125 PolarHBondContact O-N 3.18Å; I125-H129 PolarHBondContact O-N 3.49Å; I125-G130 PolarHBondContact O-N 2.7Å; I125-T132 HydrophobicContact CD1-CG2 3.62Å
126V94.9Very high95Very high50 Ų5042.5 Ų42.530%0.30321%0.212SC..Hα-helixtrans-63.4-46.5175.1174.50000111.1Y122 S123 Y124 H129Y122-V126 HydrophobicContact CD1-CG2 3.93Å; Y122-V126 HydrophobicContact CE1-CG2 3.56Å; Y122-V126 HydrophobicContact CE2-CG2 4.23Å; Y122-V126 HydrophobicContact CG-CG2 4.41Å; Y122-V126 WeakPolarHBondContact O-CG2 3.38Å; Y122-V126 PolarHBondContact O-N 3.46Å; S123-V126 PolarHBondContact O-N 3.44Å; Y124-V126 VanDerWaalsContact C-N 3.3Å; Y124-V126 PolarHBondContact O-N 2.93Å; V126-H129 PolarHBondContact O-N 3.5Å
127K94.6Very high95.2Very high155 Ų15539 Ų3967%0.67420%0.196SC*.Hα-helixtrans-68.7-42.1-179.3-69.8166.8-175.9175.40112.5S123 Y124 H129S123-K127 VanDerWaalsContact O-CG 3.28Å; S123-K127 WeakPolarHBondContact O-CG 3.38Å; S123-K127 PolarHBondContact O-N 2.86Å; S123-K127 VanDerWaalsContact O-N 3.1Å; Y124-K127 PolarHBondContact O-N 2.88Å; Y124-K127 VanDerWaalsContact O-N 3.15Å; K127-H129 VanDerWaalsContact C-N 3.26Å; K127-H129 PolarHBondContact O-N 3.39Å
128G92Very high95.4Very high29 Ų2939 Ų3930%0.29920%0.196SC..THydrogen-bonded Turntrans-80.53.3178.700000114.6Y124 G130 Q131Y124-G128 PolarHBondContact O-N 3.31Å; G128-G130 PolarHBondContact O-N 2.76Å; G128-G130 VanDerWaalsContact O-N 3.13Å; G128-Q131 WeakPolarHBondContact O-CB 3.44Å; G128-Q131 PolarHBondContact O-N 2.79Å
129H92.7Very high95.5Very high161 Ų16139 Ų3975%0.74520%0.195SC*.THydrogen-bonded Turntrans50.336.1-175.3-61.1-82.9000113.7I125 V126 K127 Q131I125-H129 PolarHBondContact O-N 3.49Å; V126-H129 PolarHBondContact O-N 3.5Å; K127-H129 VanDerWaalsContact C-N 3.26Å; K127-H129 PolarHBondContact O-N 3.39Å; H129-Q131 PolarHBondContact O-N 3.45Å
130G89.6Confident95.6Very high3 Ų335.3 Ų35.33%0.03118%0.179CC..THydrogen-bonded Turntrans70.8-0.2-175.700000116I125 G128 T132 H391I125-G130 PolarHBondContact O-N 2.7Å; G128-G130 PolarHBondContact O-N 2.76Å; G128-G130 VanDerWaalsContact O-N 3.13Å; G130-T132 PolarHBondContact O-N 3.03Å; G130-H391 PolarHBondContact O-CE1 3.34Å; G130-H391 VanDerWaalsContact O-CE1 3.22Å
131Q91.9Very high95.7Very high99 Ų9931.2 Ų31.246%0.46316%0.159SC..  trans-79.896.5174.4-60.5-65.8-74.200109.8G128 H129G128-Q131 WeakPolarHBondContact O-CB 3.44Å; G128-Q131 PolarHBondContact O-N 2.79Å; H129-Q131 PolarHBondContact O-N 3.45Å
132T95.7Very high95.7Very high3 Ų333.5 Ų33.52%0.01817%0.168CC..  trans-154.8151.7-178.81760000110I125 G130 L134 D208 H391I125-T132 HydrophobicContact CD1-CG2 3.62Å; G130-T132 PolarHBondContact O-N 3.03Å; T132-L134 HydrophobicContact CG2-CB 4.31Å; T132-L134 VanDerWaalsContact OG1-CB 3.27Å; T132-L134 WeakPolarHBondContact OG1-CB 3.27Å; T132-L134 VanDerWaalsContact OG1-CG 3.27Å; T132-L134 WeakPolarHBondContact OG1-CG 3.18Å; T132-L134 PolarHBondContact OG1-N 2.86Å; T132-D208 WeakPolarHBondContact CB-OD1 3.35Å; T132-D208 PolarHBondContact OG1-OD1 3.2Å; T132-D208 PolarHBondContact OG1-OD2 2.66Å; T132-H391 PolarHBondContact O-NE2 3.22Å
133L96Very high95.7Very high14 Ų1435.3 Ų35.37%0.07318%0.179CC..SBendtrans-87.4-6.6168.4-54.7179.2000112.2M201 T204 L205 D208 A409 I410L133-M201 HydrophobicContact CD1-CG 4.17Å; L133-T204 HydrophobicContact CG-CG2 4.04Å; L133-L205 HydrophobicContact CD1-CB 3.97Å; L133-L205 HydrophobicContact CD1-CD1 4.21Å; L133-D208 WeakPolarHBondContact CA-OD2 3.36Å; L133-D208 VanDerWaalsContact CB-OD2 3.3Å; L133-D208 WeakPolarHBondContact CB-OD2 3.36Å; L133-D208 PolarHBondContact N-OD2 3.21Å; L133-A409 WeakPolarHBondContact O-CA 3.39Å; L133-I410 HydrophobicContact CB-CD1 4.45Å; L133-I410 HydrophobicContact CB-CG1 4.27Å; L133-I410 PolarHBondContact O-N 2.7Å
134L97Very high95.6Very high0 Ų033.1 Ų33.10%016%0.164CC..SBendtrans-62.6157.7172.6-62.1172.3000111.3Y124 T132 Q136 D208 F211 L212 Y392 I410 I413Y124-L134 HydrophobicContact CD1-CD1 3.94Å; Y124-L134 HydrophobicContact CE1-CD1 3.65Å; T132-L134 HydrophobicContact CG2-CB 4.31Å; T132-L134 VanDerWaalsContact OG1-CB 3.27Å; T132-L134 WeakPolarHBondContact OG1-CB 3.27Å; T132-L134 VanDerWaalsContact OG1-CG 3.27Å; T132-L134 WeakPolarHBondContact OG1-CG 3.18Å; T132-L134 PolarHBondContact OG1-N 2.86Å; L134-Q136 PolarHBondContact O-N 3.44Å; L134-D208 HydrophobicContact CD2-CB 4.19Å; L134-D208 HydrophobicContact CG-CB 4.02Å; L134-F211 HydrophobicContact CD1-CD1 3.58Å; L134-F211 HydrophobicContact CD1-CE1 3.95Å; L134-F211 HydrophobicContact CD1-CG 4.37Å; L134-L212 HydrophobicContact CD2-CD1 3.87Å; L134-L212 HydrophobicContact CD2-CD2 3.88Å; L134-L212 HydrophobicContact CD2-CG 3.94Å; L134-Y392 PolarHBondContact O-OH 2.97Å; L134-I410 HydrophobicContact CD2-CB 4.41Å; L134-I410 HydrophobicContact CD2-CD1 3.95Å; L134-I413 HydrophobicContact CD2-CD1 4.27Å; L134-I413 HydrophobicContact CD2-CG2 4.25Å
135P96.5Very high95.4Very high9 Ų933.8 Ų33.86%0.05817%0.172CC..  trans-59.7128.3172.2-2032.4000110.5Y121 F137 M155 I410 I413Y121-P135 PolarHBondContact OH-O 3.37Å; P135-F137 HydrophobicContact CB-CD1 4.21Å; P135-F137 HydrophobicContact CB-CE1 3.65Å; P135-F137 HydrophobicContact CB-CZ 3.92Å; P135-F137 HydrophobicContact CG-CE1 4.29Å; P135-F137 HydrophobicContact CG-CZ 4.2Å; P135-F137 PolarHBondContact O-N 3.19Å; P135-M155 HydrophobicContact CB-SD 4.26Å; P135-I410 VanDerWaalsContact CD-O 3.23Å; P135-I410 WeakPolarHBondContact CD-O 3.48Å; P135-I410 VanDerWaalsContact CG-O 3.28Å; P135-I410 WeakPolarHBondContact CG-O 3.22Å; P135-I413 HydrophobicContact CG-CD1 4.45Å; P135-I413 HydrophobicContact CG-CG1 4.36Å
136Q97.1Very high95Very high2 Ų239.5 Ų39.51%0.00920%0.203CC..  trans-79.5100.3172.3-67.1-174.3-4.300109.5F64 Y121 L134 L138 M155 R156 H391 Y392F64-Q136 HydrophobicContact CD1-CB 4.12Å; F64-Q136 HydrophobicContact CD1-CG 3.62Å; F64-Q136 HydrophobicContact CD2-CB 3.89Å; F64-Q136 HydrophobicContact CD2-CG 4.33Å; F64-Q136 HydrophobicContact CE1-CB 4.03Å; F64-Q136 HydrophobicContact CE1-CG 3.52Å; F64-Q136 HydrophobicContact CE2-CB 3.79Å; F64-Q136 HydrophobicContact CE2-CG 4.23Å; F64-Q136 HydrophobicContact CG-CB 4.05Å; F64-Q136 HydrophobicContact CG-CG 4.04Å; F64-Q136 HydrophobicContact CZ-CB 3.86Å; F64-Q136 HydrophobicContact CZ-CG 3.83Å; Y121-Q136 WeakPolarHBondContact OH-CA 3.25Å; L134-Q136 PolarHBondContact O-N 3.44Å; Q136-L138 WeakPolarHBondContact O-CG 3.36Å; Q136-M155 CarbonylContact O-C 3.52Å; Q136-M155 WeakPolarHBondContact O-CA 3.32Å; Q136-M155 WeakPolarHBondContact O-CB 3.42Å; Q136-R156 HydrophobicContact CB-CB 4.05Å; Q136-R156 PolarHBondContact O-N 3.35Å; Q136-H391 PolarHBondContact NE2-CD2 3.03Å; Q136-H391 PolarHBondContact NE2-CE1 3.18Å; Q136-H391 PolarHBondContact NE2-ND1 2.83Å; Q136-H391 PolarHBondContact NE2-NE2 3.05Å; Q136-Y392 PolarHBondContact N-OH 3.13Å
137F97.6Very high94.6Very high4 Ų442.8 Ų42.82%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-81.1129.9-179.1-56.1-57.8000111.8F57 M114 M117 Y121 P135 L153 M155 I413F57-F137 HydrophobicContact CE1-CB 3.98Å; M114-F137 HydrophobicContact CE-CD2 3.61Å; M114-F137 HydrophobicContact CE-CE2 4.05Å; M114-F137 HydrophobicContact CE-CG 4.23Å; M114-F137 HydrophobicContact SD-CD2 3.88Å; M114-F137 HydrophobicContact SD-CE2 3.85Å; M114-F137 HydrophobicContact SD-CG 4.34Å; M114-F137 HydrophobicContact SD-CZ 4.29Å; M117-F137 HydrophobicContact CE-CE2 3.7Å; M117-F137 HydrophobicContact CE-CZ 4.28Å; Y121-F137 HydrophobicContact CD1-CD2 4.35Å; Y121-F137 HydrophobicContact CD2-CD2 4.41Å; Y121-F137 HydrophobicContact CD2-CE2 4.42Å; Y121-F137 HydrophobicContact CE1-CB 4.42Å; Y121-F137 AromaticContact CE1-CD2 3.79Å; Y121-F137 HydrophobicContact CE1-CD2 3.79Å; Y121-F137 AromaticContact CE2-CD2 3.83Å; Y121-F137 HydrophobicContact CE2-CD2 3.83Å; Y121-F137 AromaticContact CE2-CE2 3.98Å; Y121-F137 HydrophobicContact CE2-CE2 3.98Å; Y121-F137 AromaticContact CZ-CD2 3.48Å; Y121-F137 VanDerWaalsContact CZ-CD2 3.48Å; Y121-F137 PolarHBondContact OH-N 3.45Å; Y121-F137 VanDerWaalsContact OH-N 3.08Å; P135-F137 HydrophobicContact CB-CD1 4.21Å; P135-F137 HydrophobicContact CB-CE1 3.65Å; P135-F137 HydrophobicContact CB-CZ 3.92Å; P135-F137 HydrophobicContact CG-CE1 4.29Å; P135-F137 HydrophobicContact CG-CZ 4.2Å; P135-F137 PolarHBondContact O-N 3.19Å; F137-L153 HydrophobicContact CB-CD1 4.41Å; F137-L153 HydrophobicContact CD1-CD1 3.89Å; F137-L153 HydrophobicContact CD1-CD2 3.76Å; F137-L153 HydrophobicContact CD1-CG 3.91Å; F137-L153 HydrophobicContact CE1-CD2 3.55Å; F137-L153 HydrophobicContact CE1-CG 4.2Å; F137-L153 HydrophobicContact CG-CD1 4.32Å; F137-L153 HydrophobicContact CZ-CD2 4.35Å; F137-M155 HydrophobicContact CD1-CB 4.23Å; F137-M155 HydrophobicContact CE1-CE 4.34Å; F137-I413 HydrophobicContact CE2-CD1 3.92Å; F137-I413 HydrophobicContact CE2-CG1 4.49Å; F137-I413 HydrophobicContact CZ-CD1 3.87Å; F137-I413 HydrophobicContact CZ-CG1 3.98Å
138L97.3Very high94.5Very high0 Ų042.5 Ų42.50%022%0.219CC..EExtended strand (participates in β ladder)trans-121-13.8-168.5-51.5179.6000114.1R61 F64 V66 Y71 F101 Q136 V154R61-L138 WeakPolarHBondContact CD-O 3.5Å; R61-L138 HydrophobicContact CG-CB 3.94Å; R61-L138 HydrophobicContact CG-CD2 3.98Å; R61-L138 HydrophobicContact CG-CG 4.47Å; R61-L138 PolarHBondContact NE-O 3.37Å; F64-L138 HydrophobicContact CB-CD2 4.47Å; F64-L138 HydrophobicContact CD2-CD2 3.61Å; F64-L138 HydrophobicContact CE2-CD2 4.3Å; F64-L138 HydrophobicContact CG-CD2 4.45Å; V66-L138 HydrophobicContact CG2-CD1 4.2Å; V66-L138 HydrophobicContact CG2-CD2 4.03Å; Y71-L138 HydrophobicContact CD2-CB 4.42Å; Y71-L138 HydrophobicContact CD2-CD1 4.19Å; Y71-L138 HydrophobicContact CE2-CB 3.63Å; Y71-L138 HydrophobicContact CE2-CD1 3.95Å; Y71-L138 HydrophobicContact CE2-CG 4.45Å; F101-L138 HydrophobicContact CD1-CD1 3.28Å; F101-L138 HydrophobicContact CE1-CD1 3.36Å; F101-L138 HydrophobicContact CG-CD1 4.36Å; F101-L138 HydrophobicContact CZ-CD1 4.48Å; Q136-L138 WeakPolarHBondContact O-CG 3.36Å; L138-V154 HydrophobicContact CB-CG1 4.27Å; L138-V154 PolarHBondContact N-O 2.55Å
139G97.5Very high94.6Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-178.8145.2176.800000112.3V154G139-V154 PolarHBondContact O-N 2.81Å
140L98.1Very high94.7Very high1 Ų139.7 Ų39.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-127.1123.6177.5176.462000109.7Y52 F57 I106 V111 M114 L153Y52-L140 HydrophobicContact CD2-CD2 4.34Å; Y52-L140 HydrophobicContact CD2-CG 3.94Å; Y52-L140 HydrophobicContact CG-CD2 4.23Å; Y52-L140 HydrophobicContact CG-CG 4.27Å; Y52-L140 PolarHBondContact N-O 3.06Å; F57-L140 HydrophobicContact CD2-CB 4.44Å; F57-L140 HydrophobicContact CE2-CB 3.56Å; F57-L140 HydrophobicContact CZ-CB 3.62Å; I106-L140 HydrophobicContact CD1-CD1 3.96Å; V111-L140 HydrophobicContact CG1-CD2 4.41Å; V111-L140 HydrophobicContact CG2-CD1 4.4Å; M114-L140 HydrophobicContact CB-CD2 4.42Å; M114-L140 HydrophobicContact CG-CD2 4.01Å; L140-L153 HydrophobicContact CB-CD1 4.33Å; L140-L153 HydrophobicContact CD1-CB 4.34Å; L140-L153 HydrophobicContact CD1-CD1 4.14Å
141Y97.8Very high95Very high5 Ų541.2 Ų41.22%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-131.4143.5-169.1-53-69.5000111.8I4 F49 K50 E51 Y71 Y151 I152 V154I4-Y141 HydrophobicContact CD1-CE2 4.36Å; I4-Y141 HydrophobicContact CG1-CE2 4.39Å; F49-Y141 HydrophobicContact CE1-CD1 4.46Å; F49-Y141 AromaticContact CE2-CD1 3.62Å; F49-Y141 HydrophobicContact CE2-CD1 3.62Å; F49-Y141 HydrophobicContact CE2-CE1 4.36Å; F49-Y141 HydrophobicContact CE2-CG 4.1Å; F49-Y141 AromaticContact CZ-CD1 3.37Å; F49-Y141 HydrophobicContact CZ-CD1 3.37Å; F49-Y141 AromaticContact CZ-CE1 3.77Å; F49-Y141 HydrophobicContact CZ-CE1 3.77Å; F49-Y141 HydrophobicContact CZ-CG 4.28Å; K50-Y141 CarbonylContact O-C 3.57Å; K50-Y141 VanDerWaalsContact O-CA 3.31Å; K50-Y141 WeakPolarHBondContact O-CA 3.47Å; E51-Y141 HydrophobicContact CB-CD1 3.92Å; E51-Y141 HydrophobicContact CB-CE1 3.95Å; E51-Y141 HydrophobicContact CG-CD1 3.95Å; E51-Y141 HydrophobicContact CG-CE1 3.57Å; E51-Y141 VanDerWaalsContact OE1-CE1 3.31Å; E51-Y141 WeakPolarHBondContact OE1-CE1 3.32Å; E51-Y141 PolarHBondContact OE1-OH 3.12Å; Y71-Y141 PolarHBondContact OH-OH 3.36Å; Y141-Y151 CarbonylContact O-C 3.59Å; Y141-Y151 WeakPolarHBondContact O-CA 3.18Å; Y141-I152 PolarHBondContact N-O 3.46Å; Y141-I152 PolarHBondContact O-N 2.96Å; Y141-V154 HydrophobicContact CD2-CG2 4.04Å; Y141-V154 HydrophobicContact CE2-CB 4.4Å; Y141-V154 HydrophobicContact CE2-CG2 3.71Å
142R97.6Very high95.3Very high47 Ų4737.5 Ų37.518%0.17719%0.193CC..EExtended strand (participates in β ladder)trans-113.4128.8161.3176175.677.5170.1-3.2109.6K50 Y52 E149 S150 Y151K50-R142 HydrophobicContact CB-CB 4.3Å; K50-R142 PolarHBondContact N-O 2.79Å; K50-R142 PolarHBondContact O-N 2.89Å; Y52-R142 HydrophobicContact CE2-CB 3.73Å; R142-E149 WeakPolarHBondContact CD-OE2 3.37Å; R142-E149 IonicContact CZ-OE1 3.9Å; R142-E149 IonicContact CZ-OE2 3.36Å; R142-E149 IonicContact NE-OE1 2.79Å; R142-E149 PolarHBondContact NE-OE1 2.9Å; R142-E149 IonicContact NE-OE2 2.7Å; R142-E149 VanDerWaalsContact NH1-CD 3.29Å; R142-E149 IonicContact NH1-OE1 3.05Å; R142-E149 PolarHBondContact NH1-OE1 3.34Å; R142-E149 IonicContact NH1-OE2 3.65Å; R142-E149 PolarHBondContact NH1-OE2 3.24Å; R142-E149 IonicContact NH2-OE1 2.87Å; R142-S150 WeakPolarHBondContact CA-O 3.48Å; R142-Y151 HydrophobicContact CB-CD1 3.87Å; R142-Y151 HydrophobicContact CB-CE1 3.91Å; R142-Y151 VanDerWaalsContact CD-CE1 3.45Å; R142-Y151 WeakPolarHBondContact CD-OH 3.45Å; R142-Y151 HydrophobicContact CG-CD1 4.1Å; R142-Y151 HydrophobicContact CG-CE1 3.83Å
143L96Very high95.3Very high68 Ų6837.4 Ų37.436%0.35619%0.192SC..EExtended strand (participates in β ladder)trans-104.9134.2170.9-50.4-178.7000107.7F49 E149 S150 I152F49-L143 HydrophobicContact CD2-CD2 3.62Å; F49-L143 HydrophobicContact CE2-CD2 4.14Å; L143-E149 CarbonylContact O-C 3.48Å; L143-E149 WeakPolarHBondContact O-CA 3.46Å; L143-S150 PolarHBondContact N-O 2.88Å; L143-S150 PolarHBondContact O-N 2.87Å; L143-I152 HydrophobicContact CD1-CG1 4.1Å; L143-I152 HydrophobicContact CG-CG1 4.45Å
144T95.5Very high95.4Very high4 Ų436.8 Ų36.83%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-121.6116.4166.2-43.40000108.1F47 K48 Q148 E149F47-T144 CarbonylContact C-O 3.55Å; F47-T144 WeakPolarHBondContact CA-O 3.47Å; F47-T144 WeakPolarHBondContact CB-O 3.26Å; K48-T144 HydrophobicContact CD-CG2 4.09Å; K48-T144 PolarHBondContact N-O 3.34Å; K48-T144 PolarHBondContact O-N 2.89Å; T144-Q148 VanDerWaalsContact CA-O 3.32Å; T144-Q148 WeakPolarHBondContact CA-O 3.46Å; T144-E149 HydrophobicContact CG2-CG 4.11Å; T144-E149 PolarHBondContact OG1-OE1 3.09Å
145V92Very high95.4Very high53 Ų5338 Ų3832%0.32120%0.195SC..EExtended strand (participates in β ladder)trans-132.1128.5179.2-179.20000107.9P44 F47 D147 Q148P44-V145 HydrophobicContact CB-CG1 3.88Å; P44-V145 HydrophobicContact CG-CG1 3.66Å; F47-V145 HydrophobicContact CB-CG2 4.08Å; V145-D147 PolarHBondContact O-N 3.26Å; V145-Q148 PolarHBondContact N-O 3.29Å; V145-Q148 PolarHBondContact O-N 2.94Å
146N87.2Confident95.3Very high123 Ų12338.1 Ų38.166%0.65819%0.194SC*.THydrogen-bonded Turntrans48.643.2-174.6-55.1-23.8000112.2Q148N146-Q148 PolarHBondContact O-N 3.12Å
147D86.4Confident95.2Very high119 Ų11939.2 Ų39.264%0.63620%0.2SC*.THydrogen-bonded Turntrans58.17.2-177.4-55.3-56.8000116.5V145V145-D147 PolarHBondContact O-N 3.26Å
148Q93.1Very high95Very high149 Ų14939.9 Ų39.970%0.69620%0.204SC*.EExtended strand (participates in β ladder)trans-84.6124.1165.8-62.7-171.7-20.400110.3T144 V145 N146T144-Q148 VanDerWaalsContact CA-O 3.32Å; T144-Q148 WeakPolarHBondContact CA-O 3.46Å; V145-Q148 PolarHBondContact N-O 3.29Å; V145-Q148 PolarHBondContact O-N 2.94Å; N146-Q148 PolarHBondContact O-N 3.12Å
149E94.7Very high94.7Very high76 Ų7641.2 Ų41.236%0.35521%0.21SC..EExtended strand (participates in β ladder)trans-87.8143.5173.2-54.6-146.5129.200111.6R142 L143 T144 Y151R142-E149 WeakPolarHBondContact CD-OE2 3.37Å; R142-E149 IonicContact CZ-OE1 3.9Å; R142-E149 IonicContact CZ-OE2 3.36Å; R142-E149 IonicContact NE-OE1 2.79Å; R142-E149 PolarHBondContact NE-OE1 2.9Å; R142-E149 IonicContact NE-OE2 2.7Å; R142-E149 VanDerWaalsContact NH1-CD 3.29Å; R142-E149 IonicContact NH1-OE1 3.05Å; R142-E149 PolarHBondContact NH1-OE1 3.34Å; R142-E149 IonicContact NH1-OE2 3.65Å; R142-E149 PolarHBondContact NH1-OE2 3.24Å; R142-E149 IonicContact NH2-OE1 2.87Å; L143-E149 CarbonylContact O-C 3.48Å; L143-E149 WeakPolarHBondContact O-CA 3.46Å; T144-E149 HydrophobicContact CG2-CG 4.11Å; T144-E149 PolarHBondContact OG1-OE1 3.09Å; E149-Y151 HydrophobicContact CB-CE2 4.27Å; E149-Y151 PolarHBondContact OE2-OH 3.22Å
150S94.5Very high94.2Very high54 Ų5441.5 Ų41.538%0.37821%0.212SC..EExtended strand (participates in β ladder)trans-144.9131.7174.6-70.80000110.1R142 L143R142-S150 WeakPolarHBondContact CA-O 3.48Å; L143-S150 PolarHBondContact N-O 2.88Å; L143-S150 PolarHBondContact O-N 2.87Å
151Y96.6Very high93.6Very high35 Ų3543 Ų4314%0.13722%0.222CC..EExtended strand (participates in β ladder)trans-105.7128.4-176.7-59.1-94.3000109.7T105 I106 V111 Y141 R142 E149T105-Y151 WeakPolarHBondContact CA-O 3.29Å; I106-Y151 PolarHBondContact N-O 3.06Å; V111-Y151 HydrophobicContact CB-CD1 4.36Å; V111-Y151 HydrophobicContact CG1-CD1 4.3Å; V111-Y151 HydrophobicContact CG1-CE1 4.46Å; V111-Y151 HydrophobicContact CG2-CD1 3.45Å; V111-Y151 VanDerWaalsContact CG2-CD1 3.45Å; V111-Y151 HydrophobicContact CG2-CE1 4.19Å; V111-Y151 HydrophobicContact CG2-CG 3.65Å; Y141-Y151 CarbonylContact O-C 3.59Å; Y141-Y151 WeakPolarHBondContact O-CA 3.18Å; R142-Y151 HydrophobicContact CB-CD1 3.87Å; R142-Y151 HydrophobicContact CB-CE1 3.91Å; R142-Y151 VanDerWaalsContact CD-CE1 3.45Å; R142-Y151 WeakPolarHBondContact CD-OH 3.45Å; R142-Y151 HydrophobicContact CG-CD1 4.1Å; R142-Y151 HydrophobicContact CG-CE1 3.83Å; E149-Y151 HydrophobicContact CB-CE2 4.27Å; E149-Y151 PolarHBondContact OE2-OH 3.22Å
152I96.4Very high93.1Very high21 Ų2146.7 Ų46.711%0.10824%0.236CC..EExtended strand (participates in β ladder)trans-122.7121.7-175.7-56.9-63.1000108.9A103 K104 T105 Y141 L143 V154A103-I152 HydrophobicContact CB-CG2 3.72Å; K104-I152 WeakPolarHBondContact O-CA 3.18Å; T105-I152 HydrophobicContact CG2-CD1 4.47Å; Y141-I152 PolarHBondContact N-O 3.46Å; Y141-I152 PolarHBondContact O-N 2.96Å; L143-I152 HydrophobicContact CD1-CG1 4.1Å; L143-I152 HydrophobicContact CG-CG1 4.45Å; I152-V154 HydrophobicContact CG2-CG2 4.32Å
153L97.1Very high92.6Very high1 Ų145.2 Ų45.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-107.3118.3172.9179.563.9000109.1K104 I106 M114 F137 L140 M155 L414K104-L153 PolarHBondContact N-O 2.82Å; K104-L153 PolarHBondContact O-N 3.19Å; I106-L153 HydrophobicContact CD1-CB 3.92Å; I106-L153 HydrophobicContact CD1-CD2 4.35Å; I106-L153 HydrophobicContact CG1-CB 4.33Å; I106-L153 HydrophobicContact CG2-CB 4.23Å; M114-L153 HydrophobicContact SD-CD1 4.45Å; F137-L153 HydrophobicContact CB-CD1 4.41Å; F137-L153 HydrophobicContact CD1-CD1 3.89Å; F137-L153 HydrophobicContact CD1-CD2 3.76Å; F137-L153 HydrophobicContact CD1-CG 3.91Å; F137-L153 HydrophobicContact CE1-CD2 3.55Å; F137-L153 HydrophobicContact CE1-CG 4.2Å; F137-L153 HydrophobicContact CG-CD1 4.32Å; F137-L153 HydrophobicContact CZ-CD2 4.35Å; L140-L153 HydrophobicContact CB-CD1 4.33Å; L140-L153 HydrophobicContact CD1-CB 4.34Å; L140-L153 HydrophobicContact CD1-CD1 4.14Å; L153-M155 HydrophobicContact CD2-CE 4.11Å; L153-M155 HydrophobicContact CG-CE 4.05Å; L153-L414 HydrophobicContact CD2-CD1 3.71Å
154V97.4Very high92.1Very high1 Ų144.6 Ų44.61%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-93133.1177.5179.50000110.2Y71 F75 F101 V102 A103 L138 G139 Y141 I152Y71-V154 HydrophobicContact CE2-CG1 3.87Å; Y71-V154 WeakPolarHBondContact OH-CG1 3.37Å; F75-V154 HydrophobicContact CE1-CG2 4.41Å; F75-V154 HydrophobicContact CE2-CG1 3.73Å; F75-V154 HydrophobicContact CZ-CB 4.41Å; F75-V154 HydrophobicContact CZ-CG1 3.47Å; F75-V154 VanDerWaalsContact CZ-CG1 3.47Å; F75-V154 HydrophobicContact CZ-CG2 3.98Å; F101-V154 HydrophobicContact CB-CG1 4.32Å; V102-V154 WeakPolarHBondContact O-CA 3.38Å; A103-V154 HydrophobicContact CB-CG2 4.1Å; L138-V154 HydrophobicContact CB-CG1 4.27Å; L138-V154 PolarHBondContact N-O 2.55Å; G139-V154 PolarHBondContact O-N 2.81Å; Y141-V154 HydrophobicContact CD2-CG2 4.04Å; Y141-V154 HydrophobicContact CE2-CB 4.4Å; Y141-V154 HydrophobicContact CE2-CG2 3.71Å; I152-V154 HydrophobicContact CG2-CG2 4.32Å
155M96.7Very high91.7Very high26 Ų2646 Ų4613%0.12824%0.243CC..EExtended strand (participates in β ladder)trans-138.3162.717664.2-159.576.400111.5F101 V102 K104 P135 Q136 F137 L153F101-M155 WeakPolarHBondContact CA-O 3.49Å; V102-M155 HydrophobicContact CB-CG 4.26Å; V102-M155 PolarHBondContact N-O 2.68Å; V102-M155 PolarHBondContact O-N 3.47Å; K104-M155 HydrophobicContact CB-CE 3.74Å; K104-M155 HydrophobicContact CD-CE 4.35Å; P135-M155 HydrophobicContact CB-SD 4.26Å; Q136-M155 CarbonylContact O-C 3.52Å; Q136-M155 WeakPolarHBondContact O-CA 3.32Å; Q136-M155 WeakPolarHBondContact O-CB 3.42Å; F137-M155 HydrophobicContact CD1-CB 4.23Å; F137-M155 HydrophobicContact CE1-CE 4.34Å; L153-M155 HydrophobicContact CD2-CE 4.11Å; L153-M155 HydrophobicContact CG-CE 4.05Å
156R95.9Very high91.3Very high12 Ų1246.5 Ų46.55%0.04524%0.242CC..EExtended strand (participates in β ladder)trans-61.2142.8168.3-171-179.4-69.9-78.313.7110.2F64 V66 Q136 T388F64-R156 PolarHBondContact O-NH2 2.87Å; V66-R156 VanDerWaalsContact CG2-NH2 3.27Å; Q136-R156 HydrophobicContact CB-CB 4.05Å; Q136-R156 PolarHBondContact O-N 3.35Å; R156-T388 PolarHBondContact NH1-O 3.12Å; R156-T388 PolarHBondContact NH2-O 3.46Å
157N93.6Very high91.2Very high24 Ų2445 Ų4513%0.12823%0.229CC..  trans-65.9138.3169.7-166.7-3.1000110.4R99 Q100 V102 F159R99-N157 VanDerWaalsContact O-CB 3.26Å; R99-N157 WeakPolarHBondContact O-CB 2.98Å; R99-N157 PolarHBondContact O-ND2 2.82Å; Q100-N157 WeakPolarHBondContact O-CB 3.25Å; Q100-N157 PolarHBondContact O-N 3.11Å; V102-N157 HydrophobicContact CG2-CB 3.82Å; N157-F159 VanDerWaalsContact C-N 3.32Å; N157-F159 PolarHBondContact ND2-O 2.64Å; N157-F159 PolarHBondContact OD1-N 2.93Å
158V93.2Very high91.1Very high18 Ų1844.8 Ų44.811%0.10922%0.223CC..SBendtrans-70.9-34.2175.9172.60000110.9L223 Y392 F407 A409 I411V158-L223 HydrophobicContact CB-CD2 4.07Å; V158-L223 HydrophobicContact CG1-CD2 4.05Å; V158-L223 HydrophobicContact CG1-CG 4.43Å; V158-L223 HydrophobicContact CG2-CD2 4.17Å; V158-Y392 HydrophobicContact CB-CD2 4.43Å; V158-Y392 HydrophobicContact CG1-CD2 4.5Å; V158-Y392 HydrophobicContact CG1-CG 4.47Å; V158-Y392 HydrophobicContact CG2-CE2 4.4Å; V158-F407 WeakPolarHBondContact O-CD1 3.25Å; V158-A409 HydrophobicContact CB-CB 4.15Å; V158-A409 HydrophobicContact CG1-CB 3.51Å; V158-A409 HydrophobicContact CG2-CB 3.54Å; V158-I411 HydrophobicContact CG2-CG2 4.44Å
159F91.2Very high90.6Very high28 Ų2838.6 Ų38.612%0.12319%0.193CC..SBendtrans-92.6147.1-178.8-53.5-45.5000111.2N157 I165 K168 L223 F407N157-F159 VanDerWaalsContact C-N 3.32Å; N157-F159 PolarHBondContact ND2-O 2.64Å; N157-F159 PolarHBondContact OD1-N 2.93Å; F159-I165 HydrophobicContact CB-CD1 4.1Å; F159-I165 HydrophobicContact CB-CG1 3.82Å; F159-I165 HydrophobicContact CD1-CD1 3.96Å; F159-I165 HydrophobicContact CD1-CG1 3.92Å; F159-I165 HydrophobicContact CD2-CG1 4.3Å; F159-I165 HydrophobicContact CG-CD1 4.17Å; F159-I165 HydrophobicContact CG-CG1 3.75Å; F159-K168 HydrophobicContact CE2-CD 4.05Å; F159-K168 HydrophobicContact CZ-CD 4.19Å; F159-K168 HydrophobicContact CZ-CG 4.18Å; F159-L223 HydrophobicContact CE1-CD2 4.26Å; F159-L223 HydrophobicContact CE1-CG 4.2Å; F159-L223 HydrophobicContact CE2-CD2 4.26Å; F159-L223 HydrophobicContact CZ-CD1 3.94Å; F159-L223 HydrophobicContact CZ-CD2 3.73Å; F159-L223 HydrophobicContact CZ-CG 3.83Å; F159-F407 HydrophobicContact CD1-CB 3.82Å; F159-F407 HydrophobicContact CD1-CG 4.31Å; F159-F407 HydrophobicContact CE1-CB 4.3Å
160S88.1Confident89.9Confident6 Ų636 Ų364%0.04218%0.182CC..  trans-54.2140.5173.1176.50000111.6R162 L163 E390 F407S160-R162 PolarHBondContact O-N 2.79Å; S160-R162 PolarHBondContact OG-N 2.82Å; S160-L163 PolarHBondContact OG-N 3.23Å; S160-E390 WeakPolarHBondContact CB-OE1 3.36Å; S160-E390 PolarHBondContact OG-OE1 3.09Å; S160-F407 VanDerWaalsContact CB-CZ 3.47Å
161P85.5Confident89Confident32 Ų3233.4 Ų33.421%0.20816%0.164CC..SBendtrans-68.8-17.6168.630-35.1000113N98 R99 Q100 L389N98-P161 WeakPolarHBondContact O-CB 3.46Å; R99-P161 HydrophobicContact CB-CB 4.03Å; Q100-P161 HydrophobicContact CG-CB 4.35Å; Q100-P161 HydrophobicContact CG-CG 4.29Å; P161-L389 HydrophobicContact CG-CB 4.48Å
162R86.4Confident87.9Confident84 Ų8434 Ų3432%0.31717%0.167SC..SBendtrans-103.5-27-173.9-68172.760.7-170.8-0.3114.4S160 Q379S160-R162 PolarHBondContact O-N 2.79Å; S160-R162 PolarHBondContact OG-N 2.82Å; R162-Q379 PolarHBondContact NH2-O 2.84Å
163L86.9Confident86.1Confident16 Ų1633.3 Ų33.38%0.08416%0.164CC..SBendtrans-103.9127.9-172.6-55.9-174.9000112.2S160 H227 F381 L385 I405 F407S160-L163 PolarHBondContact OG-N 3.23Å; L163-H227 HydrophobicContact CB-CB 4.3Å; L163-F381 HydrophobicContact CD1-CD2 4.38Å; L163-F381 HydrophobicContact CD1-CE2 4.2Å; L163-F381 HydrophobicContact CD2-CB 4.37Å; L163-F381 HydrophobicContact CD2-CD2 3.81Å; L163-F381 HydrophobicContact CD2-CE2 4.45Å; L163-F381 HydrophobicContact CD2-CG 4.22Å; L163-L385 HydrophobicContact CD1-CD2 4.15Å; L163-I405 HydrophobicContact CD1-CD1 3.9Å; L163-I405 HydrophobicContact CD1-CG2 4.29Å; L163-F407 HydrophobicContact CD1-CE2 4.28Å; L163-F407 HydrophobicContact CD1-CZ 4.07Å
164A85.6Confident84.2Confident54 Ų5438.3 Ų38.345%0.44619%0.186SC..  trans-67.3131.2174.600000111.2H166 H227A164-H166 PolarHBondContact O-CE1 2.98Å; A164-H227 WeakPolarHBondContact O-CB 3.49Å; A164-H227 PolarHBondContact O-ND1 3.22Å
165I86.5Confident81.8Confident33 Ų3342.1 Ų42.117%0.16921%0.21CC..  trans-99109.4179.3-54.2-62.5000109.1F159 K167 K168 H227 F407F159-I165 HydrophobicContact CB-CD1 4.1Å; F159-I165 HydrophobicContact CB-CG1 3.82Å; F159-I165 HydrophobicContact CD1-CD1 3.96Å; F159-I165 HydrophobicContact CD1-CG1 3.92Å; F159-I165 HydrophobicContact CD2-CG1 4.3Å; F159-I165 HydrophobicContact CG-CD1 4.17Å; F159-I165 HydrophobicContact CG-CG1 3.75Å; I165-K167 VanDerWaalsContact CG2-O 3.22Å; I165-K167 WeakPolarHBondContact CG2-O 3.23Å; I165-K168 HydrophobicContact CG2-CD 4.27Å; I165-K168 HydrophobicContact CG2-CG 3.52Å; I165-H227 HydrophobicContact CD1-CB 4.38Å; I165-F407 HydrophobicContact CD1-CD2 3.51Å; I165-F407 HydrophobicContact CD1-CE2 3.83Å; I165-F407 HydrophobicContact CD1-CG 4.37Å
166H84.4Confident79.2Confident65 Ų6547.1 Ų47.130%0.30124%0.237SC..  trans-85.6-33.8-175.3-51.5113.4000113A164 V226 H227 D228A164-H166 PolarHBondContact O-CE1 2.98Å; H166-V226 PolarHBondContact N-O 2.73Å; H166-H227 AromaticContact CE1-ND1 3.79Å; H166-D228 PolarHBondContact CE1-O 2.58Å; H166-D228 VanDerWaalsContact ND1-CB 3.35Å; H166-D228 WeakPolarHBondContact ND1-CB 3.28Å; H166-D228 PolarHBondContact ND1-N 3.21Å
167K84.5Confident76.6Confident90 Ų9051 Ų5139%0.39126%0.264SS..EExtended strand (participates in β ladder)trans-125.2141.5174.3-49.8-168.8-174.8-1750110.8I165 Y169 D187 G225 V226I165-K167 VanDerWaalsContact CG2-O 3.22Å; I165-K167 WeakPolarHBondContact CG2-O 3.23Å; K167-Y169 HydrophobicContact CB-CE2 3.68Å; K167-Y169 HydrophobicContact CD-CE2 4.47Å; K167-Y169 VanDerWaalsContact CD-OH 3.27Å; K167-Y169 WeakPolarHBondContact CD-OH 3.4Å; K167-D187 PolarHBondContact NZ-O 2.86Å; K167-G225 CarbonylContact O-C 3.54Å; K167-G225 WeakPolarHBondContact O-CA 3.27Å; K167-V226 HydrophobicContact CB-CB 4.11Å; K167-V226 HydrophobicContact CB-CG2 4.22Å; K167-V226 PolarHBondContact N-O 3.01Å; K167-V226 PolarHBondContact O-N 3.2Å
168K84.8Confident74Confident115 Ų11552.2 Ų52.250%0.527%0.272SS..EExtended strand (participates in β ladder)trans-136.7127.1179.9-68.1179.7-176.9171.60110.6F159 I165 I224F159-K168 HydrophobicContact CE2-CD 4.05Å; F159-K168 HydrophobicContact CZ-CD 4.19Å; F159-K168 HydrophobicContact CZ-CG 4.18Å; I165-K168 HydrophobicContact CG2-CD 4.27Å; I165-K168 HydrophobicContact CG2-CG 3.52Å; K168-I224 CarbonylContact C-O 3.56Å; K168-I224 WeakPolarHBondContact CA-O 3.3Å
169Y82.7Confident71.4Confident19 Ų1958.2 Ų58.28%0.07530%0.303CS..EExtended strand (participates in β ladder)trans-126.2145.5-179.8-51.6-90.1000110.7K167 F184 D187 L188 L223 I224 V226K167-Y169 HydrophobicContact CB-CE2 3.68Å; K167-Y169 HydrophobicContact CD-CE2 4.47Å; K167-Y169 VanDerWaalsContact CD-OH 3.27Å; K167-Y169 WeakPolarHBondContact CD-OH 3.4Å; Y169-F184 HydrophobicContact CD1-CB 3.94Å; Y169-F184 AromaticContact CD1-CD2 3.81Å; Y169-F184 HydrophobicContact CD1-CD2 3.81Å; Y169-F184 HydrophobicContact CD1-CG 4.37Å; Y169-F184 AromaticContact CD2-CD2 3.75Å; Y169-F184 HydrophobicContact CD2-CD2 3.75Å; Y169-F184 HydrophobicContact CD2-CE2 4.12Å; Y169-F184 HydrophobicContact CE1-CB 4.28Å; Y169-F184 HydrophobicContact CE1-CD2 4.23Å; Y169-F184 HydrophobicContact CE2-CD2 4.17Å; Y169-F184 HydrophobicContact CE2-CE2 4.5Å; Y169-F184 HydrophobicContact CG-CB 4.47Å; Y169-F184 AromaticContact CG-CD2 3.54Å; Y169-F184 HydrophobicContact CG-CD2 3.54Å; Y169-F184 HydrophobicContact CG-CE2 4.31Å; Y169-F184 HydrophobicContact CG-CG 4.48Å; Y169-D187 HydrophobicContact CE1-CB 4.41Å; Y169-D187 WeakPolarHBondContact OH-CB 3.35Å; Y169-L188 HydrophobicContact CD2-CD1 4.05Å; Y169-L188 HydrophobicContact CE2-CD1 3.36Å; Y169-L188 HydrophobicContact CE2-CG 4.1Å; Y169-L223 WeakPolarHBondContact O-CA 3.39Å; Y169-L223 WeakPolarHBondContact O-CD1 3.27Å; Y169-I224 PolarHBondContact N-O 2.7Å; Y169-I224 PolarHBondContact O-N 3Å; Y169-V226 HydrophobicContact CE2-CG2 4.12Å
170D81.1Confident69.9Low21 Ų2161.8 Ų61.811%0.11232%0.318CS..EExtended strand (participates in β ladder)trans-132.386.9-175.4166.839.9000107.3K180 S221D170-K180 HydrophobicContact CB-CD 4.19Å; D170-K180 WeakPolarHBondContact O-CD 3.21Å; D170-K180 IonicContact OD2-NZ 2.63Å; D170-K180 PolarHBondContact OD2-NZ 3.16Å; D170-S221 WeakPolarHBondContact OD1-CB 3.38Å; D170-S221 PolarHBondContact OD1-OG 2.62Å
171L74.6Confident68.5Low0 Ų061.7 Ų61.70%032%0.317CS..EExtended strand (participates in β ladder)trans-91.5133.4-165.2-55.9170000110.1D181 F184 S221 L222 I224 F451L171-D181 WeakPolarHBondContact CA-OD1 3.44Å; L171-F184 HydrophobicContact CD1-CD2 4.04Å; L171-F184 HydrophobicContact CD1-CE2 4.15Å; L171-F184 HydrophobicContact CD1-CG 4.36Å; L171-F184 HydrophobicContact CD2-CB 3.76Å; L171-F184 HydrophobicContact CD2-CD2 4.08Å; L171-F184 HydrophobicContact CD2-CG 3.95Å; L171-S221 CarbonylContact O-C 3.52Å; L171-S221 VanDerWaalsContact O-CA 3.29Å; L171-S221 WeakPolarHBondContact O-CA 3.3Å; L171-S221 WeakPolarHBondContact O-CB 3.32Å; L171-L222 HydrophobicContact CB-CB 4.43Å; L171-L222 PolarHBondContact N-O 2.97Å; L171-L222 PolarHBondContact O-N 3.15Å; L171-I224 HydrophobicContact CD1-CD1 3.5Å; L171-I224 VanDerWaalsContact CD1-CD1 3.5Å; L171-I224 HydrophobicContact CD1-CG1 3.96Å; L171-F451 HydrophobicContact CB-CE1 4.11Å; L171-F451 HydrophobicContact CD1-CE1 4.05Å; L171-F451 HydrophobicContact CD2-CE1 4.06Å; L171-F451 HydrophobicContact CD2-CZ 4.42Å; L171-F451 HydrophobicContact CG-CE1 4.28Å
172K72.6Confident67.1Low47 Ų4762 Ų6220%0.20432%0.322CS..  trans-133.7140.9179.1-65.1-168.3-176.2-114.30111K174 D181 D219 S221K172-K174 HydrophobicContact CB-CG 4.43Å; K172-K174 PolarHBondContact O-N 3.1Å; K172-D181 PolarHBondContact N-OD1 3.26Å; K172-D219 PolarHBondContact NZ-O 3.25Å; K172-S221 WeakPolarHBondContact CE-OG 3.41Å; K172-S221 PolarHBondContact NZ-OG 3.09Å
173S58.6Low66Low7 Ų761.4 Ų61.45%0.04933%0.326CS..  trans-74.745.8-177.458.30000115Y444S173-Y444 WeakPolarHBondContact OG-CD2 3.39Å; S173-Y444 WeakPolarHBondContact OG-CE1 3.46Å; S173-Y444 VanDerWaalsContact OG-CE2 3.23Å; S173-Y444 WeakPolarHBondContact OG-CE2 3.49Å; S173-Y444 VanDerWaalsContact OG-CZ 3.24Å; S173-Y444 PolarHBondContact OG-O 3.2Å
174K58.1Low64.8Low106 Ų10660.7 Ų60.746%0.46132%0.322SS..  trans-69.4149.7176.8-74.5178.2-175165.70110.9K172 L176 T178K172-K174 HydrophobicContact CB-CG 4.43Å; K172-K174 PolarHBondContact O-N 3.1Å; K174-L176 PolarHBondContact O-N 3Å; K174-L176 VanDerWaalsContact O-N 3.09Å; K174-T178 HydrophobicContact CD-CG2 3.57Å
175P46.2Very low63.6Low81 Ų8161.9 Ų61.953%0.52632%0.32SS..SBendtrans-69-6.4-17428.1-36.4000115.1
176L43Very low62.4Low132 Ų13265.2 Ų65.269%0.69134%0.343SS*.SBendtrans-134.3145.4170.3-67.4169.3000105.9K174 T178K174-L176 PolarHBondContact O-N 3Å; K174-L176 VanDerWaalsContact O-N 3.09Å; L176-T178 PolarHBondContact O-N 3.45Å
177P41.8Very low61.4Low93 Ų9366.4 Ų66.460%0.60435%0.351SS*.  trans-57.7111.5171.625.7-33.1000107.4D181 A182P177-D181 HydrophobicContact CB-CB 4.35Å; P177-A182 HydrophobicContact CB-CB 4.27Å
178T38.8Very low60.3Low49 Ų4963.2 Ų63.230%0.30134%0.338SS..  trans-69.4158.2165.234.50000108K174 L176 K180 D181 A182K174-T178 HydrophobicContact CD-CG2 3.57Å; L176-T178 PolarHBondContact O-N 3.45Å; T178-K180 PolarHBondContact O-N 3.42Å; T178-D181 WeakPolarHBondContact CA-OD2 3.28Å; T178-D181 WeakPolarHBondContact CB-OD2 3.48Å; T178-D181 PolarHBondContact N-OD2 3Å; T178-D181 WeakPolarHBondContact O-CA 3.4Å; T178-D181 PolarHBondContact O-N 3.32Å; T178-D181 PolarHBondContact OG1-OD2 3.12Å; T178-A182 PolarHBondContact O-N 2.58Å; T178-A182 VanDerWaalsContact O-N 3.16Å
179L38.1Very low59.1Low145 Ų14562.2 Ų62.276%0.75935%0.345SS*.Hα-helixtrans-39.4-51.9-175.5-73.2156.8000111.8D181 A182 D183L179-D181 VanDerWaalsContact C-N 3.33Å; L179-D181 PolarHBondContact O-N 3.44Å; L179-D181 VanDerWaalsContact O-N 3.16Å; L179-A182 WeakPolarHBondContact O-CB 3.27Å; L179-A182 PolarHBondContact O-N 2.92Å; L179-D183 VanDerWaalsContact C-CG 3.48Å; L179-D183 WeakPolarHBondContact O-CB 3.44Å; L179-D183 PolarHBondContact O-N 3.28Å; L179-D183 VanDerWaalsContact O-OD2 3.06Å
180K58.9Low58.8Low102 Ų10264.9 Ų64.944%0.44336%0.357SS..Hα-helixtrans-49.8-40.1175.1-59.7-166.7176.5-158.30116.9D170 T178 D183 F184D170-K180 HydrophobicContact CB-CD 4.19Å; D170-K180 WeakPolarHBondContact O-CD 3.21Å; D170-K180 IonicContact OD2-NZ 2.63Å; D170-K180 PolarHBondContact OD2-NZ 3.16Å; T178-K180 PolarHBondContact O-N 3.42Å; K180-D183 WeakPolarHBondContact CA-OD2 3.23Å; K180-D183 PolarHBondContact N-OD2 3.29Å; K180-F184 PolarHBondContact O-N 2.93Å
181D59.4Low58.8Low4 Ų464 Ų642%0.02135%0.352CS..Hα-helixtrans-81.1-31.1-176.8-39.8-67.7000110.3L171 K172 P177 T178 L179 F451L171-D181 WeakPolarHBondContact CA-OD1 3.44Å; K172-D181 PolarHBondContact N-OD1 3.26Å; P177-D181 HydrophobicContact CB-CB 4.35Å; T178-D181 WeakPolarHBondContact CA-OD2 3.28Å; T178-D181 WeakPolarHBondContact CB-OD2 3.48Å; T178-D181 PolarHBondContact N-OD2 3Å; T178-D181 WeakPolarHBondContact O-CA 3.4Å; T178-D181 PolarHBondContact O-N 3.32Å; T178-D181 PolarHBondContact OG1-OD2 3.12Å; L179-D181 VanDerWaalsContact C-N 3.33Å; L179-D181 PolarHBondContact O-N 3.44Å; L179-D181 VanDerWaalsContact O-N 3.16Å; D181-F451 HydrophobicContact CB-CZ 4.11Å
182A56.6Low59.4Low38 Ų3866.9 Ų66.931%0.31437%0.365SS..Hα-helixtrans-70.5-46170.400000111.4P177 T178 L179 F184 L185 T186P177-A182 HydrophobicContact CB-CB 4.27Å; T178-A182 PolarHBondContact O-N 2.58Å; T178-A182 VanDerWaalsContact O-N 3.16Å; L179-A182 WeakPolarHBondContact O-CB 3.27Å; L179-A182 PolarHBondContact O-N 2.92Å; A182-F184 PolarHBondContact O-N 2.86Å; A182-L185 PolarHBondContact O-N 3.13Å; A182-L185 VanDerWaalsContact O-N 3.1Å; A182-T186 PolarHBondContact O-N 3.34Å; A182-T186 VanDerWaalsContact O-N 3.07Å; A182-T186 PolarHBondContact O-OG1 2.94Å
183D63Low60.1Low73 Ų7364.9 Ų64.939%0.3936%0.357SS..Hα-helixtrans-54.1-38.6177.5-57.2-27.9000110.8L179 K180 T186 D187L179-D183 VanDerWaalsContact C-CG 3.48Å; L179-D183 WeakPolarHBondContact O-CB 3.44Å; L179-D183 PolarHBondContact O-N 3.28Å; L179-D183 VanDerWaalsContact O-OD2 3.06Å; K180-D183 WeakPolarHBondContact CA-OD2 3.23Å; K180-D183 PolarHBondContact N-OD2 3.29Å; D183-T186 WeakPolarHBondContact CA-OG1 3.41Å; D183-T186 PolarHBondContact O-N 3.49Å; D183-T186 PolarHBondContact O-OG1 2.79Å; D183-D187 WeakPolarHBondContact O-CB 3.35Å; D183-D187 PolarHBondContact O-N 2.86Å
184F60.8Low61.5Low0 Ų065.6 Ų65.60%037%0.365CS..Hα-helixtrans-62.3-48.6176.6-179.4-84.9000113Y169 L171 K180 A182 T186 D187 L188 M191 I224 C455Y169-F184 HydrophobicContact CD1-CB 3.94Å; Y169-F184 AromaticContact CD1-CD2 3.81Å; Y169-F184 HydrophobicContact CD1-CD2 3.81Å; Y169-F184 HydrophobicContact CD1-CG 4.37Å; Y169-F184 AromaticContact CD2-CD2 3.75Å; Y169-F184 HydrophobicContact CD2-CD2 3.75Å; Y169-F184 HydrophobicContact CD2-CE2 4.12Å; Y169-F184 HydrophobicContact CE1-CB 4.28Å; Y169-F184 HydrophobicContact CE1-CD2 4.23Å; Y169-F184 HydrophobicContact CE2-CD2 4.17Å; Y169-F184 HydrophobicContact CE2-CE2 4.5Å; Y169-F184 HydrophobicContact CG-CB 4.47Å; Y169-F184 AromaticContact CG-CD2 3.54Å; Y169-F184 HydrophobicContact CG-CD2 3.54Å; Y169-F184 HydrophobicContact CG-CE2 4.31Å; Y169-F184 HydrophobicContact CG-CG 4.48Å; L171-F184 HydrophobicContact CD1-CD2 4.04Å; L171-F184 HydrophobicContact CD1-CE2 4.15Å; L171-F184 HydrophobicContact CD1-CG 4.36Å; L171-F184 HydrophobicContact CD2-CB 3.76Å; L171-F184 HydrophobicContact CD2-CD2 4.08Å; L171-F184 HydrophobicContact CD2-CG 3.95Å; K180-F184 PolarHBondContact O-N 2.93Å; A182-F184 PolarHBondContact O-N 2.86Å; F184-T186 VanDerWaalsContact C-N 3.3Å; F184-T186 PolarHBondContact O-N 2.99Å; F184-D187 PolarHBondContact O-N 2.8Å; F184-L188 HydrophobicContact CD2-CD1 3.79Å; F184-L188 HydrophobicContact CE2-CD1 3.31Å; F184-L188 HydrophobicContact CZ-CD1 3.76Å; F184-L188 PolarHBondContact O-N 3.35Å; F184-L188 VanDerWaalsContact O-N 3.11Å; F184-M191 HydrophobicContact CE2-SD 4.33Å; F184-M191 HydrophobicContact CZ-CG 3.97Å; F184-M191 HydrophobicContact CZ-SD 3.78Å; F184-I224 HydrophobicContact CE2-CD1 3.89Å; F184-I224 HydrophobicContact CE2-CG2 4.42Å; F184-I224 HydrophobicContact CZ-CD1 4.2Å; F184-C455 HydrophobicContact CE1-CB 3.61Å; F184-C455 WeakPolarHBondContact CE1-SG 3.44Å; F184-C455 HydrophobicContact CZ-CB 4.15Å
185L61.4Low63.1Low79 Ų7968.4 Ų68.441%0.41438%0.38SS..Hα-helixtrans-68.8-30-178.1-68.6173.9000111.8A182 F451A182-L185 PolarHBondContact O-N 3.13Å; A182-L185 VanDerWaalsContact O-N 3.1Å; L185-F451 HydrophobicContact CD1-CE2 4.23Å
186T60.8Low65.3Low104 Ų10472.6 Ų72.664%0.63839%0.392SS*.Hα-helixtrans-75.8-38.6173.3540000113.1A182 D183 F184A182-T186 PolarHBondContact O-N 3.34Å; A182-T186 VanDerWaalsContact O-N 3.07Å; A182-T186 PolarHBondContact O-OG1 2.94Å; D183-T186 WeakPolarHBondContact CA-OG1 3.41Å; D183-T186 PolarHBondContact O-N 3.49Å; D183-T186 PolarHBondContact O-OG1 2.79Å; F184-T186 VanDerWaalsContact C-N 3.3Å; F184-T186 PolarHBondContact O-N 2.99Å
187D63.1Low67.6Low89 Ų8968.9 Ų68.948%0.47638%0.377SS..Hα-helixtrans-94.5-20.4-165.8-70.912.9000115.1K167 Y169 D183 F184K167-D187 PolarHBondContact NZ-O 2.86Å; Y169-D187 HydrophobicContact CE1-CB 4.41Å; Y169-D187 WeakPolarHBondContact OH-CB 3.35Å; D183-D187 WeakPolarHBondContact O-CB 3.35Å; D183-D187 PolarHBondContact O-N 2.86Å; F184-D187 PolarHBondContact O-N 2.8Å
188L62.8Low70Confident24 Ų2466.4 Ų66.413%0.12636%0.357CS..Hα-helixtrans-111.5-19.7175.9-84.7166.4000113.6Y169 F184 K190 V226Y169-L188 HydrophobicContact CD2-CD1 4.05Å; Y169-L188 HydrophobicContact CE2-CD1 3.36Å; Y169-L188 HydrophobicContact CE2-CG 4.1Å; F184-L188 HydrophobicContact CD2-CD1 3.79Å; F184-L188 HydrophobicContact CE2-CD1 3.31Å; F184-L188 HydrophobicContact CZ-CD1 3.76Å; F184-L188 PolarHBondContact O-N 3.35Å; F184-L188 VanDerWaalsContact O-N 3.11Å; L188-K190 PolarHBondContact O-N 2.95Å; L188-V226 HydrophobicContact CD1-CG2 4.05Å; L188-V226 HydrophobicContact CD2-CG2 4.26Å
189C59.6Low72.6Confident94 Ų9471.4 Ų71.464%0.63537%0.374SS*.SBendtrans59.9-66.5-165.3-1700000112.4
190K75.2Confident75.3Confident75 Ų7570.2 Ų70.233%0.32636%0.363SS..  trans-153.5154.9171.2-65.9-173-178.5-174.30112L188 H192 C455 D457L188-K190 PolarHBondContact O-N 2.95Å; K190-H192 PolarHBondContact O-N 3.21Å; K190-H192 PolarHBondContact O-ND1 2.97Å; K190-C455 WeakPolarHBondContact CA-O 3.11Å; K190-D457 HydrophobicContact CB-CB 3.99Å; K190-D457 HydrophobicContact CD-CB 3.55Å; K190-D457 VanDerWaalsContact CD-CG 3.41Å; K190-D457 WeakPolarHBondContact CD-OD1 3.4Å; K190-D457 WeakPolarHBondContact CE-OD1 3.26Å; K190-D457 HydrophobicContact CG-CB 4.46Å; K190-D457 IonicContact NZ-OD1 2.61Å; K190-D457 PolarHBondContact NZ-OD1 2.88Å
191M82.4Confident76.9Confident3 Ų365.7 Ų65.72%0.01534%0.344CS..BIsolated β-bridgetrans-80.2108.3168-68.9170.857.700109.9F184 I193 I224 Y406 V408 C455 I456 D457F184-M191 HydrophobicContact CE2-SD 4.33Å; F184-M191 HydrophobicContact CZ-CG 3.97Å; F184-M191 HydrophobicContact CZ-SD 3.78Å; M191-I193 HydrophobicContact CB-CD1 4.16Å; M191-I193 HydrophobicContact CB-CG1 4.39Å; M191-I193 HydrophobicContact CE-CD1 3.59Å; M191-I193 PolarHBondContact O-N 3.4Å; M191-I224 HydrophobicContact CE-CD1 4.42Å; M191-I224 HydrophobicContact CE-CG2 4.46Å; M191-I224 HydrophobicContact SD-CD1 3.65Å; M191-I224 HydrophobicContact SD-CG2 4.21Å; M191-Y406 HydrophobicContact CB-CE1 4.28Å; M191-Y406 HydrophobicContact CE-CD1 3.96Å; M191-Y406 HydrophobicContact CE-CD2 4.38Å; M191-Y406 HydrophobicContact CE-CG 3.81Å; M191-Y406 HydrophobicContact CG-CD1 4.08Å; M191-Y406 HydrophobicContact CG-CE1 3.9Å; M191-V408 HydrophobicContact CE-CG2 3.82Å; M191-C455 PolarHBondContact N-O 2.82Å; M191-I456 HydrophobicContact CB-CG1 4.47Å; M191-I456 WeakPolarHBondContact O-CA 3.05Å; M191-I456 WeakPolarHBondContact O-CG2 3.45Å; M191-D457 PolarHBondContact O-N 3.01Å
192H85.4Confident78.5Confident59 Ų5966.6 Ų66.627%0.27335%0.349SS..  trans-80.797.1178.4-59.484.9000109.9K190 S396 S397 Y406K190-H192 PolarHBondContact O-N 3.21Å; K190-H192 PolarHBondContact O-ND1 2.97Å; H192-S396 CarbonylContact O-C 3.58Å; H192-S396 WeakPolarHBondContact O-CA 3.34Å; H192-S396 WeakPolarHBondContact O-CB 3.29Å; H192-S397 PolarHBondContact O-N 2.99Å; H192-Y406 PolarHBondContact N-OH 2.82Å
193I88.2Confident80.4Confident6 Ų667.3 Ų67.33%0.03135%0.351CS..  trans-123.9131.2-175.7-66.1173.8000109.2M191 S197 K198 M201 I394 Y406 I456M191-I193 HydrophobicContact CB-CD1 4.16Å; M191-I193 HydrophobicContact CB-CG1 4.39Å; M191-I193 HydrophobicContact CE-CD1 3.59Å; M191-I193 PolarHBondContact O-N 3.4Å; I193-S197 VanDerWaalsContact CG2-CB 3.5Å; I193-K198 HydrophobicContact CG2-CB 4.33Å; I193-M201 HydrophobicContact CD1-CE 4.01Å; I193-I394 HydrophobicContact CD1-CG2 4.04Å; I193-I394 HydrophobicContact CG1-CG2 4.28Å; I193-I394 HydrophobicContact CG2-CG2 3.81Å; I193-Y406 HydrophobicContact CD1-CD2 4.01Å; I193-Y406 HydrophobicContact CD1-CE2 4.42Å; I193-Y406 HydrophobicContact CG1-CD2 3.89Å; I193-Y406 HydrophobicContact CG1-CE2 3.89Å; I193-I456 HydrophobicContact CB-CG2 4.15Å; I193-I456 HydrophobicContact CD1-CG2 4.49Å
194G89.1Confident81.9Confident21 Ų2165 Ų6522%0.21634%0.34CS..  trans-56.9143.7-18000000113.1E196 S197 K198G194-E196 VanDerWaalsContact C-N 3.3Å; G194-E196 PolarHBondContact O-N 3.38Å; G194-E196 VanDerWaalsContact O-N 3.11Å; G194-S197 WeakPolarHBondContact O-CA 3.46Å; G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 2.78Å; G194-K198 PolarHBondContact O-N 2.91Å
195E91Very high83.5Confident166 Ų16665 Ų6578%0.77634%0.34SS*.Hα-helixtrans-50.8-42.4-167.7-168.5-172.1162.500113.9S197 K198 K199E195-S197 PolarHBondContact O-N 3.04Å; E195-K198 PolarHBondContact O-N 3.41Å; E195-K199 VanDerWaalsContact O-CB 3.29Å; E195-K199 WeakPolarHBondContact O-CB 3.36Å; E195-K199 PolarHBondContact O-N 3.13Å
196E92.1Very high85.1Confident168 Ų16866.2 Ų66.279%0.78534%0.343SS*.Hα-helixtrans-61.5-44.2176.9-174.7-178.1-174.400112.2G194 K199 K200G194-E196 VanDerWaalsContact C-N 3.3Å; G194-E196 PolarHBondContact O-N 3.38Å; G194-E196 VanDerWaalsContact O-N 3.11Å; E196-K199 PolarHBondContact O-N 3.31Å; E196-K200 WeakPolarHBondContact O-CB 3.25Å; E196-K200 PolarHBondContact O-N 2.77Å
197S91.5Very high86.8Confident54 Ų5464.3 Ų64.338%0.37833%0.334SS..Hα-helixtrans-71-38.2178.2-69.90000111.7I193 G194 E195 K200 M201I193-S197 VanDerWaalsContact CG2-CB 3.5Å; G194-S197 WeakPolarHBondContact O-CA 3.46Å; G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 2.78Å; E195-S197 PolarHBondContact O-N 3.04Å; S197-K200 PolarHBondContact O-N 2.87Å; S197-M201 VanDerWaalsContact O-CB 3.29Å; S197-M201 WeakPolarHBondContact O-CB 3.44Å; S197-M201 PolarHBondContact O-N 3.07Å
198K92.2Very high88.4Confident41 Ų4160.1 Ų60.118%0.17831%0.311CS..Hα-helixtrans-58.7-50.6172.1177.4170.8-176.8162.40110.7I193 G194 E195 K200 M201 L202 I456 D457I193-K198 HydrophobicContact CG2-CB 4.33Å; G194-K198 PolarHBondContact O-N 2.91Å; E195-K198 PolarHBondContact O-N 3.41Å; K198-K200 PolarHBondContact O-N 2.87Å; K198-M201 PolarHBondContact O-N 2.88Å; K198-L202 HydrophobicContact CG-CD1 4.05Å; K198-L202 WeakPolarHBondContact O-CB 3.4Å; K198-L202 WeakPolarHBondContact O-CG 3.49Å; K198-L202 PolarHBondContact O-N 2.82Å; K198-I456 HydrophobicContact CB-CG2 4.4Å; K198-I456 HydrophobicContact CD-CB 4.4Å; K198-I456 HydrophobicContact CD-CG2 3.62Å; K198-I456 HydrophobicContact CG-CG2 3.88Å; K198-I456 PolarHBondContact NZ-O 2.85Å; K198-D457 VanDerWaalsContact NZ-C 3.29Å; K198-D457 PolarHBondContact NZ-OXT 3.23Å
199K93.6Very high89.9Confident154 Ų15459.2 Ų59.267%0.6731%0.306SS*.Hα-helixtrans-61.7-43.3177.8-174.8175.6-177.2174.80112.7E195 E196 S203E195-K199 VanDerWaalsContact O-CB 3.29Å; E195-K199 WeakPolarHBondContact O-CB 3.36Å; E195-K199 PolarHBondContact O-N 3.13Å; E196-K199 PolarHBondContact O-N 3.31Å; K199-S203 WeakPolarHBondContact O-CB 3.49Å; K199-S203 PolarHBondContact O-N 2.92Å; K199-S203 PolarHBondContact O-OG 3.33Å; K199-S203 VanDerWaalsContact O-OG 3.12Å
200K93.6Very high91.5Very high121 Ų12160 Ų6053%0.52630%0.3SS..Hα-helixtrans-64.6-42.5175.9-175-175175.4-1700111.9E196 S197 K198 S203 T204E196-K200 WeakPolarHBondContact O-CB 3.25Å; E196-K200 PolarHBondContact O-N 2.77Å; S197-K200 PolarHBondContact O-N 2.87Å; K198-K200 PolarHBondContact O-N 2.87Å; K200-S203 PolarHBondContact O-OG 2.87Å; K200-T204 WeakPolarHBondContact O-CB 3.32Å; K200-T204 PolarHBondContact O-N 2.93Å; K200-T204 VanDerWaalsContact O-N 3.1Å; K200-T204 PolarHBondContact O-OG1 3.24Å
201M93.3Very high92.5Very high7 Ų756.8 Ų56.83%0.03429%0.287CS..Hα-helixtrans-66.6-46.4179.3-175.8178.159.900111.3L133 I193 S197 K198 T204 L205 I394 V408 I456L133-M201 HydrophobicContact CD1-CG 4.17Å; I193-M201 HydrophobicContact CD1-CE 4.01Å; S197-M201 VanDerWaalsContact O-CB 3.29Å; S197-M201 WeakPolarHBondContact O-CB 3.44Å; S197-M201 PolarHBondContact O-N 3.07Å; K198-M201 PolarHBondContact O-N 2.88Å; M201-T204 PolarHBondContact O-N 3.01Å; M201-L205 VanDerWaalsContact O-CB 3.29Å; M201-L205 WeakPolarHBondContact O-CB 3.4Å; M201-L205 PolarHBondContact O-N 3.02Å; M201-I394 HydrophobicContact CB-CD1 4.09Å; M201-I394 HydrophobicContact CG-CD1 3.93Å; M201-I394 HydrophobicContact SD-CD1 3.37Å; M201-I394 WeakPolarHBondContact SD-CD1 3.38Å; M201-V408 HydrophobicContact SD-CB 4.28Å; M201-V408 HydrophobicContact SD-CG1 4.12Å; M201-V408 HydrophobicContact SD-CG2 4.16Å; M201-I456 HydrophobicContact CE-CD1 3.26Å; M201-I456 HydrophobicContact CE-CG1 3.96Å
202L93.9Very high93Very high23 Ų2356.6 Ų56.612%0.1229%0.286CS..Hα-helixtrans-63.2-45.3178.7-70.8173.3000112K198 T204 L205 E206 L449 V452 I456K198-L202 HydrophobicContact CG-CD1 4.05Å; K198-L202 WeakPolarHBondContact O-CB 3.4Å; K198-L202 WeakPolarHBondContact O-CG 3.49Å; K198-L202 PolarHBondContact O-N 2.82Å; L202-T204 VanDerWaalsContact C-N 3.3Å; L202-T204 PolarHBondContact O-N 2.83Å; L202-L205 PolarHBondContact O-N 2.86Å; L202-E206 WeakPolarHBondContact O-CB 3.35Å; L202-E206 WeakPolarHBondContact O-CG 3.13Å; L202-E206 PolarHBondContact O-N 3.22Å; L202-L449 HydrophobicContact CD2-CD1 4.26Å; L202-V452 HydrophobicContact CD2-CG1 4.35Å; L202-I456 HydrophobicContact CD2-CD1 4.17Å
203S95Very high93.3Very high53 Ų5355.9 Ų55.937%0.37128%0.282SS..Hα-helixtrans-66.8-30.817866.70000113.3K199 K200 C207K199-S203 WeakPolarHBondContact O-CB 3.49Å; K199-S203 PolarHBondContact O-N 2.92Å; K199-S203 PolarHBondContact O-OG 3.33Å; K199-S203 VanDerWaalsContact O-OG 3.12Å; K200-S203 PolarHBondContact O-OG 2.87Å; S203-C207 PolarHBondContact O-N 3.2Å; S203-C207 PolarHBondContact O-SG 2.73Å
204T95.5Very high93.5Very high24 Ų2461.5 Ų61.515%0.14731%0.309CS..Hα-helixtrans-69.1-45.6171.8-52.90000110.5L133 K200 M201 L202 E206 C207 D208L133-T204 HydrophobicContact CG-CG2 4.04Å; K200-T204 WeakPolarHBondContact O-CB 3.32Å; K200-T204 PolarHBondContact O-N 2.93Å; K200-T204 VanDerWaalsContact O-N 3.1Å; K200-T204 PolarHBondContact O-OG1 3.24Å; M201-T204 PolarHBondContact O-N 3.01Å; L202-T204 VanDerWaalsContact C-N 3.3Å; L202-T204 PolarHBondContact O-N 2.83Å; T204-E206 VanDerWaalsContact C-N 3.35Å; T204-E206 PolarHBondContact O-N 3.37Å; T204-C207 PolarHBondContact O-N 3.3Å; T204-D208 WeakPolarHBondContact O-CB 3.45Å; T204-D208 PolarHBondContact O-N 3.08Å
205L94.9Very high93.6Very high1 Ų161.5 Ų61.51%0.00530%0.304CS..Hα-helixtrans-62.9-38.2178.6-178.359.1000112.2L133 M201 L202 D208 I209 L222 I410 L449 V452L133-L205 HydrophobicContact CD1-CB 3.97Å; L133-L205 HydrophobicContact CD1-CD1 4.21Å; M201-L205 VanDerWaalsContact O-CB 3.29Å; M201-L205 WeakPolarHBondContact O-CB 3.4Å; M201-L205 PolarHBondContact O-N 3.02Å; L202-L205 PolarHBondContact O-N 2.86Å; L205-D208 PolarHBondContact O-N 3.21Å; L205-I209 HydrophobicContact CD1-CD1 3.73Å; L205-I209 HydrophobicContact CD1-CG1 4.05Å; L205-I209 HydrophobicContact CD2-CD1 4.5Å; L205-I209 HydrophobicContact CG-CD1 3.75Å; L205-I209 HydrophobicContact CG-CG1 4.43Å; L205-I209 VanDerWaalsContact O-CB 3.25Å; L205-I209 WeakPolarHBondContact O-CB 3.48Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å; L205-I209 PolarHBondContact O-N 3.21Å; L205-L222 HydrophobicContact CD1-CD1 4.49Å; L205-I410 HydrophobicContact CD1-CD1 3.88Å; L205-I410 HydrophobicContact CD1-CG1 4.22Å; L205-L449 HydrophobicContact CD2-CD1 4.01Å; L205-L449 HydrophobicContact CG-CD1 4.1Å; L205-V452 HydrophobicContact CD2-CB 3.94Å; L205-V452 HydrophobicContact CD2-CG1 3.66Å; L205-V452 HydrophobicContact CD2-CG2 4.08Å
206E95.1Very high93.5Very high104 Ų10456.8 Ų56.849%0.48628%0.284SS..Hα-helixtrans-59.4-51.5172.5-78.5173.4176.800111.7L202 T204 D208 I209 Q210 L449L202-E206 WeakPolarHBondContact O-CB 3.35Å; L202-E206 WeakPolarHBondContact O-CG 3.13Å; L202-E206 PolarHBondContact O-N 3.22Å; T204-E206 VanDerWaalsContact C-N 3.35Å; T204-E206 PolarHBondContact O-N 3.37Å; E206-D208 VanDerWaalsContact C-N 3.33Å; E206-D208 PolarHBondContact O-N 3.25Å; E206-I209 PolarHBondContact O-N 2.9Å; E206-Q210 WeakPolarHBondContact O-CB 3.34Å; E206-Q210 PolarHBondContact O-N 2.93Å; E206-L449 HydrophobicContact CG-CD1 3.84Å; E206-L449 HydrophobicContact CG-CD2 3.65Å; E206-L449 HydrophobicContact CG-CG 4.42Å
207C95.7Very high93.5Very high64 Ų6448.8 Ų48.843%0.43225%0.247SC..Hα-helixtrans-58.6-44.7176.5-65.40000111.8Y124 S203 T204 Q210 F211Y124-C207 HydrophobicContact CE2-CB 4.48Å; Y124-C207 VanDerWaalsContact OH-CB 3.27Å; Y124-C207 WeakPolarHBondContact OH-CB 3.48Å; Y124-C207 PolarHBondContact OH-O 2.87Å; S203-C207 PolarHBondContact O-N 3.2Å; S203-C207 PolarHBondContact O-SG 2.73Å; T204-C207 PolarHBondContact O-N 3.3Å; C207-Q210 PolarHBondContact O-N 3.22Å; C207-F211 PolarHBondContact O-N 3.35Å
208D96.5Very high93.3Very high0 Ų046.3 Ų46.30%023%0.229CC..Hα-helixtrans-66.4-42.8-179.4-69.7-25.8000111.5Y124 T132 L133 L134 T204 L205 E206 Q210 F211 L212 I410Y124-D208 VanDerWaalsContact CE1-OD1 3.28Å; Y124-D208 WeakPolarHBondContact CE1-OD1 3.42Å; Y124-D208 VanDerWaalsContact CZ-OD1 3.32Å; Y124-D208 WeakPolarHBondContact OH-CA 3.43Å; Y124-D208 PolarHBondContact OH-N 3.3Å; Y124-D208 VanDerWaalsContact OH-N 3.12Å; Y124-D208 PolarHBondContact OH-OD1 3.08Å; T132-D208 WeakPolarHBondContact CB-OD1 3.35Å; T132-D208 PolarHBondContact OG1-OD1 3.2Å; T132-D208 PolarHBondContact OG1-OD2 2.66Å; L133-D208 WeakPolarHBondContact CA-OD2 3.36Å; L133-D208 VanDerWaalsContact CB-OD2 3.3Å; L133-D208 WeakPolarHBondContact CB-OD2 3.36Å; L133-D208 PolarHBondContact N-OD2 3.21Å; L134-D208 HydrophobicContact CD2-CB 4.19Å; L134-D208 HydrophobicContact CG-CB 4.02Å; T204-D208 WeakPolarHBondContact O-CB 3.45Å; T204-D208 PolarHBondContact O-N 3.08Å; L205-D208 PolarHBondContact O-N 3.21Å; E206-D208 VanDerWaalsContact C-N 3.33Å; E206-D208 PolarHBondContact O-N 3.25Å; D208-Q210 VanDerWaalsContact C-N 3.34Å; D208-F211 PolarHBondContact O-N 3.39Å; D208-L212 VanDerWaalsContact O-CG 3.27Å; D208-L212 WeakPolarHBondContact O-CG 3.45Å; D208-L212 PolarHBondContact O-N 3.27Å; D208-I410 HydrophobicContact CB-CD1 3.7Å
209I94.2Very high92.9Very high6 Ų647.5 Ų47.53%0.03124%0.237CC..Hα-helixtrans-64.3-40.1175.9-75.5171.1000110.7L205 E206 L212 Q213 L448 L449L205-I209 HydrophobicContact CD1-CD1 3.73Å; L205-I209 HydrophobicContact CD1-CG1 4.05Å; L205-I209 HydrophobicContact CD2-CD1 4.5Å; L205-I209 HydrophobicContact CG-CD1 3.75Å; L205-I209 HydrophobicContact CG-CG1 4.43Å; L205-I209 VanDerWaalsContact O-CB 3.25Å; L205-I209 WeakPolarHBondContact O-CB 3.48Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å; L205-I209 PolarHBondContact O-N 3.21Å; E206-I209 PolarHBondContact O-N 2.9Å; I209-L212 PolarHBondContact O-N 2.98Å; I209-Q213 HydrophobicContact CG2-CG 4.41Å; I209-Q213 VanDerWaalsContact O-CG 3.26Å; I209-Q213 WeakPolarHBondContact O-CG 3.41Å; I209-Q213 PolarHBondContact O-N 3.47Å; I209-L448 HydrophobicContact CD1-CB 4.44Å; I209-L448 HydrophobicContact CD1-CD2 4.44Å; I209-L449 HydrophobicContact CD1-CB 3.99Å
210Q94.2Very high92.8Very high109 Ų10940.2 Ų40.251%0.50921%0.206SC..Hα-helixtrans-60.3-47.7174.3-177.7-177.9-2200111E206 C207 D208 L212 Q213 E214E206-Q210 WeakPolarHBondContact O-CB 3.34Å; E206-Q210 PolarHBondContact O-N 2.93Å; C207-Q210 PolarHBondContact O-N 3.22Å; D208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-L212 VanDerWaalsContact C-N 3.3Å; Q210-L212 PolarHBondContact O-N 3.27Å; Q210-Q213 WeakPolarHBondContact O-CB 3.4Å; Q210-Q213 PolarHBondContact O-N 3.44Å; Q210-Q213 VanDerWaalsContact O-N 3.12Å; Q210-E214 HydrophobicContact CG-CG 4.47Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.46Å; Q210-E214 PolarHBondContact NE2-OE1 3.16Å; Q210-E214 WeakPolarHBondContact O-CG 3.41Å; Q210-E214 PolarHBondContact O-N 3.44Å
211F94.7Very high92.6Very high8 Ų834.4 Ų34.44%0.03518%0.181CC..Hα-helixtrans-56.2-43.3175.4169.1-93.9000112.3E120 Y121 Y124 L134 C207 D208 E214 N215E120-F211 HydrophobicContact CB-CE2 4.1Å; Y121-F211 HydrophobicContact CD2-CE1 4.33Å; Y121-F211 HydrophobicContact CD2-CZ 4.19Å; Y124-F211 HydrophobicContact CD1-CD2 4.25Å; Y124-F211 HydrophobicContact CD1-CG 4.2Å; Y124-F211 HydrophobicContact CD2-CB 3.98Å; Y124-F211 AromaticContact CD2-CD2 3.89Å; Y124-F211 HydrophobicContact CD2-CD2 3.89Å; Y124-F211 HydrophobicContact CD2-CG 4.13Å; Y124-F211 HydrophobicContact CE1-CB 4.48Å; Y124-F211 HydrophobicContact CE2-CB 3.91Å; Y124-F211 HydrophobicContact CE2-CG 4.46Å; Y124-F211 HydrophobicContact CG-CB 4.32Å; Y124-F211 AromaticContact CG-CD2 3.68Å; Y124-F211 HydrophobicContact CG-CD2 3.68Å; Y124-F211 HydrophobicContact CG-CE2 4.23Å; Y124-F211 HydrophobicContact CG-CG 4.01Å; L134-F211 HydrophobicContact CD1-CD1 3.58Å; L134-F211 HydrophobicContact CD1-CE1 3.95Å; L134-F211 HydrophobicContact CD1-CG 4.37Å; C207-F211 PolarHBondContact O-N 3.35Å; D208-F211 PolarHBondContact O-N 3.39Å; F211-E214 PolarHBondContact O-N 3.03Å; F211-N215 WeakPolarHBondContact CE2-ND2 3.49Å; F211-N215 WeakPolarHBondContact CZ-ND2 3.13Å; F211-N215 PolarHBondContact O-N 3.2Å; F211-N215 VanDerWaalsContact O-N 3.13Å; F211-N215 PolarHBondContact O-ND2 2.81Å
212L94.2Very high92.5Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-65.7-37.1177.3-66.2170.8000112.3L134 D208 I209 Q210 N216 L217 Y220 I410 I413L134-L212 HydrophobicContact CD2-CD1 3.87Å; L134-L212 HydrophobicContact CD2-CD2 3.88Å; L134-L212 HydrophobicContact CD2-CG 3.94Å; D208-L212 VanDerWaalsContact O-CG 3.27Å; D208-L212 WeakPolarHBondContact O-CG 3.45Å; D208-L212 PolarHBondContact O-N 3.27Å; I209-L212 PolarHBondContact O-N 2.98Å; Q210-L212 VanDerWaalsContact C-N 3.3Å; Q210-L212 PolarHBondContact O-N 3.27Å; L212-N216 PolarHBondContact O-N 2.88Å; L212-L217 HydrophobicContact CB-CB 4.41Å; L212-L217 HydrophobicContact CD2-CB 4.14Å; L212-L217 HydrophobicContact CD2-CD1 3.67Å; L212-L217 PolarHBondContact O-N 3.25Å; L212-Y220 HydrophobicContact CB-CD1 4.38Å; L212-Y220 HydrophobicContact CB-CE1 3.76Å; L212-Y220 HydrophobicContact CD1-CD1 3.81Å; L212-Y220 HydrophobicContact CD1-CD2 3.95Å; L212-Y220 HydrophobicContact CD1-CE1 3.71Å; L212-Y220 HydrophobicContact CD1-CE2 3.87Å; L212-Y220 HydrophobicContact CD1-CG 3.92Å; L212-Y220 HydrophobicContact CG-CD1 4.48Å; L212-Y220 HydrophobicContact CG-CE1 4.27Å; L212-I410 HydrophobicContact CD1-CD1 4.14Å; L212-I410 HydrophobicContact CD1-CG2 4.1Å; L212-I413 HydrophobicContact CD1-CG2 4.31Å; L212-I413 HydrophobicContact CD2-CB 3.78Å; L212-I413 HydrophobicContact CD2-CD1 4.24Å; L212-I413 HydrophobicContact CD2-CG2 3.81Å
213Q91.9Very high92.3Very high43 Ų4333.6 Ų33.620%0.20118%0.176CC..Hα-helixtrans-66.1-47.7175.8-71.8173.91700111.8I209 Q210 N215 N216 P441I209-Q213 HydrophobicContact CG2-CG 4.41Å; I209-Q213 VanDerWaalsContact O-CG 3.26Å; I209-Q213 WeakPolarHBondContact O-CG 3.41Å; I209-Q213 PolarHBondContact O-N 3.47Å; Q210-Q213 WeakPolarHBondContact O-CB 3.4Å; Q210-Q213 PolarHBondContact O-N 3.44Å; Q210-Q213 VanDerWaalsContact O-N 3.12Å; Q213-N215 VanDerWaalsContact C-N 3.28Å; Q213-N215 PolarHBondContact O-N 3.23Å; Q213-N216 WeakPolarHBondContact O-CA 3.23Å; Q213-N216 PolarHBondContact O-N 3.29Å; Q213-P441 HydrophobicContact CG-CB 4.48Å
214E91.3Very high92.1Very high124 Ų12431.3 Ų31.358%0.57916%0.16SC*.Hα-helixtrans-57.5-41.3177.4-71.4174.6-17300111.4Q210 F211 N216Q210-E214 HydrophobicContact CG-CG 4.47Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.46Å; Q210-E214 PolarHBondContact NE2-OE1 3.16Å; Q210-E214 WeakPolarHBondContact O-CG 3.41Å; Q210-E214 PolarHBondContact O-N 3.44Å; F211-E214 PolarHBondContact O-N 3.03Å; E214-N216 PolarHBondContact O-N 2.84Å; E214-N216 PolarHBondContact O-ND2 2.83Å; E214-N216 VanDerWaalsContact O-ND2 3.09Å
215N90.4Very high91.8Very high22 Ų2230.1 Ų30.112%0.11815%0.153CC..THydrogen-bonded Turntrans-78.42.4176.1-73.8-88.5000114.3F211 Q213 L217F211-N215 WeakPolarHBondContact CE2-ND2 3.49Å; F211-N215 WeakPolarHBondContact CZ-ND2 3.13Å; F211-N215 PolarHBondContact O-N 3.2Å; F211-N215 VanDerWaalsContact O-N 3.13Å; F211-N215 PolarHBondContact O-ND2 2.81Å; Q213-N215 VanDerWaalsContact C-N 3.28Å; Q213-N215 PolarHBondContact O-N 3.23Å; N215-L217 VanDerWaalsContact C-N 3.27Å; N215-L217 HydrophobicContact CB-CD1 3.71Å; N215-L217 HydrophobicContact CB-CG 3.77Å; N215-L217 PolarHBondContact O-N 3.05Å
216N90.1Very high91.6Very high67 Ų6730.3 Ų30.336%0.35815%0.154SC..THydrogen-bonded Turntrans56.337-178.2-67.5-108.2000113.2L212 Q213 E214 Y417L212-N216 PolarHBondContact O-N 2.88Å; Q213-N216 WeakPolarHBondContact O-CA 3.23Å; Q213-N216 PolarHBondContact O-N 3.29Å; E214-N216 PolarHBondContact O-N 2.84Å; E214-N216 PolarHBondContact O-ND2 2.83Å; E214-N216 VanDerWaalsContact O-ND2 3.09Å; N216-Y417 WeakPolarHBondContact O-CB 3.47Å; N216-Y417 PolarHBondContact O-N 2.88Å
217L90.9Very high91.4Very high0 Ų025.6 Ų25.60%013%0.132CC..BIsolated β-bridgetrans-93.1141.3179.6-57.6172.4000110Q113 M117 L212 N215 Y220 I413Q113-L217 HydrophobicContact CG-CD2 4.14Å; M117-L217 HydrophobicContact SD-CD1 3.76Å; M117-L217 HydrophobicContact SD-CD2 4.45Å; L212-L217 HydrophobicContact CB-CB 4.41Å; L212-L217 HydrophobicContact CD2-CB 4.14Å; L212-L217 HydrophobicContact CD2-CD1 3.67Å; L212-L217 PolarHBondContact O-N 3.25Å; N215-L217 VanDerWaalsContact C-N 3.27Å; N215-L217 HydrophobicContact CB-CD1 3.71Å; N215-L217 HydrophobicContact CB-CG 3.77Å; N215-L217 PolarHBondContact O-N 3.05Å; L217-Y220 WeakPolarHBondContact O-CE1 3.35Å; L217-I413 WeakPolarHBondContact CD1-O 3.48Å; L217-I413 WeakPolarHBondContact CD2-O 3.31Å
218I87.5Confident91.1Very high1 Ų124.1 Ų24.11%0.00512%0.119CC..  trans-146.7-177.5177.363.4154.2000111.7Y220 T415 Y417 K421 P441 Y444I218-Y220 PolarHBondContact O-N 2.8Å; I218-Y220 VanDerWaalsContact O-N 3.1Å; I218-T415 PolarHBondContact N-O 2.7Å; I218-T415 WeakPolarHBondContact O-CB 3.4Å; I218-Y417 HydrophobicContact CD1-CD2 3.64Å; I218-Y417 HydrophobicContact CD1-CE2 4.24Å; I218-Y417 HydrophobicContact CG1-CD2 4.2Å; I218-K421 HydrophobicContact CD1-CD 3.66Å; I218-K421 HydrophobicContact CG1-CD 4.1Å; I218-P441 HydrophobicContact CG2-CB 3.83Å; I218-P441 HydrophobicContact CG2-CG 3.78Å; I218-Y444 HydrophobicContact CB-CD1 4.42Å; I218-Y444 HydrophobicContact CB-CG 4.35Å; I218-Y444 HydrophobicContact CG2-CG 4.38Å
219D85Confident90.6Very high67 Ų6725.8 Ų25.836%0.35813%0.13SC..SBendtrans61.45.4-175.5-67.17.3000115.7K172 K421 Y444K172-D219 PolarHBondContact NZ-O 3.25Å; D219-K421 IonicContact OD1-NZ 3.36Å; D219-K421 PolarHBondContact OD1-NZ 2.89Å; D219-K421 IonicContact OD2-NZ 2.63Å; D219-K421 PolarHBondContact OD2-NZ 3.41Å; D219-Y444 WeakPolarHBondContact CA-OH 3.45Å
220Y91.3Very high90.2Very high0 Ų030.8 Ų30.80%015%0.154CC..  trans-61151.7169.354-100.5000111.5L212 L217 I218 I410 I411 Y444 G445 L448L212-Y220 HydrophobicContact CB-CD1 4.38Å; L212-Y220 HydrophobicContact CB-CE1 3.76Å; L212-Y220 HydrophobicContact CD1-CD1 3.81Å; L212-Y220 HydrophobicContact CD1-CD2 3.95Å; L212-Y220 HydrophobicContact CD1-CE1 3.71Å; L212-Y220 HydrophobicContact CD1-CE2 3.87Å; L212-Y220 HydrophobicContact CD1-CG 3.92Å; L212-Y220 HydrophobicContact CG-CD1 4.48Å; L212-Y220 HydrophobicContact CG-CE1 4.27Å; L217-Y220 WeakPolarHBondContact O-CE1 3.35Å; I218-Y220 PolarHBondContact O-N 2.8Å; I218-Y220 VanDerWaalsContact O-N 3.1Å; Y220-I410 HydrophobicContact CD2-CG2 4.02Å; Y220-I410 HydrophobicContact CG-CG2 4.26Å; Y220-I411 VanDerWaalsContact CA-O 3.3Å; Y220-I411 WeakPolarHBondContact CA-O 3.44Å; Y220-I411 WeakPolarHBondContact CB-O 3.35Å; Y220-Y444 HydrophobicContact CD1-CD1 4.31Å; Y220-Y444 HydrophobicContact CD1-CE1 4.1Å; Y220-Y444 HydrophobicContact CD2-CD1 4.4Å; Y220-Y444 AromaticContact CD2-CE1 3.85Å; Y220-Y444 HydrophobicContact CD2-CE1 3.85Å; Y220-Y444 AromaticContact CE1-CD1 3.81Å; Y220-Y444 HydrophobicContact CE1-CD1 3.81Å; Y220-Y444 HydrophobicContact CE1-CE1 4.04Å; Y220-Y444 AromaticContact CE2-CD1 3.89Å; Y220-Y444 HydrophobicContact CE2-CD1 3.89Å; Y220-Y444 AromaticContact CE2-CE1 3.77Å; Y220-Y444 HydrophobicContact CE2-CE1 3.77Å; Y220-Y444 HydrophobicContact CG-CE1 4.02Å; Y220-Y444 AromaticContact CZ-CD1 3.59Å; Y220-Y444 AromaticContact CZ-CE1 3.89Å; Y220-Y444 PolarHBondContact O-OH 2.8Å; Y220-G445 WeakPolarHBondContact OH-CA 3.36Å; Y220-L448 HydrophobicContact CD2-CD2 3.88Å; Y220-L448 HydrophobicContact CE2-CD2 3.66Å
221S88.9Confident89.8Confident0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-126.2151-172.2-14.80000109.1D170 L171 K172 I410 I411D170-S221 WeakPolarHBondContact OD1-CB 3.38Å; D170-S221 PolarHBondContact OD1-OG 2.62Å; L171-S221 CarbonylContact O-C 3.52Å; L171-S221 VanDerWaalsContact O-CA 3.29Å; L171-S221 WeakPolarHBondContact O-CA 3.3Å; L171-S221 WeakPolarHBondContact O-CB 3.32Å; K172-S221 WeakPolarHBondContact CE-OG 3.41Å; K172-S221 PolarHBondContact NZ-OG 3.09Å; S221-I410 CarbonylContact O-C 3.59Å; S221-I410 WeakPolarHBondContact O-CA 3.31Å; S221-I411 PolarHBondContact N-O 2.7Å; S221-I411 WeakPolarHBondContact O-CG1 3.33Å; S221-I411 PolarHBondContact O-N 3.49Å
222L90.9Very high89.3Confident1 Ų129.9 Ų29.91%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-92.8116.1166.6-162.274.7000109.1L171 L205 I224 V408 I410 L448 V452L171-L222 HydrophobicContact CB-CB 4.43Å; L171-L222 PolarHBondContact N-O 2.97Å; L171-L222 PolarHBondContact O-N 3.15Å; L205-L222 HydrophobicContact CD1-CD1 4.49Å; L222-I224 HydrophobicContact CD2-CD1 4.03Å; L222-I224 HydrophobicContact CD2-CG1 4.19Å; L222-I224 HydrophobicContact CG-CG1 4.3Å; L222-V408 HydrophobicContact CD1-CG1 3.85Å; L222-V408 HydrophobicContact CD2-CG1 3.86Å; L222-V408 HydrophobicContact CG-CG1 3.98Å; L222-I410 HydrophobicContact CD1-CG1 3.92Å; L222-L448 HydrophobicContact CB-CD1 4.28Å; L222-V452 HydrophobicContact CD2-CG1 4.38Å; L222-V452 HydrophobicContact CD2-CG2 3.47Å; L222-V452 VanDerWaalsContact CD2-CG2 3.47Å
223L91Very high88.9Confident12 Ų1234.8 Ų34.86%0.06318%0.18CC..EExtended strand (participates in β ladder)trans-86.3122.5172.5-177.660.3000108.4V158 F159 Y169 V408 A409 I411V158-L223 HydrophobicContact CB-CD2 4.07Å; V158-L223 HydrophobicContact CG1-CD2 4.05Å; V158-L223 HydrophobicContact CG1-CG 4.43Å; V158-L223 HydrophobicContact CG2-CD2 4.17Å; F159-L223 HydrophobicContact CE1-CD2 4.26Å; F159-L223 HydrophobicContact CE1-CG 4.2Å; F159-L223 HydrophobicContact CE2-CD2 4.26Å; F159-L223 HydrophobicContact CZ-CD1 3.94Å; F159-L223 HydrophobicContact CZ-CD2 3.73Å; F159-L223 HydrophobicContact CZ-CG 3.83Å; Y169-L223 WeakPolarHBondContact O-CA 3.39Å; Y169-L223 WeakPolarHBondContact O-CD1 3.27Å; L223-V408 WeakPolarHBondContact O-CA 3.4Å; L223-A409 PolarHBondContact N-O 3.3Å; L223-A409 PolarHBondContact O-N 3.32Å; L223-I411 HydrophobicContact CB-CD1 4.01Å; L223-I411 HydrophobicContact CB-CG1 4.11Å; L223-I411 HydrophobicContact CB-CG2 3.84Å; L223-I411 HydrophobicContact CD2-CD1 4.47Å; L223-I411 HydrophobicContact CD2-CG2 3.98Å
224I90Very high88.6Confident4 Ų434.9 Ų34.92%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-119.3119.5173.9-53.9-168.6000108.9K168 Y169 L171 F184 M191 L222 F407 V408K168-I224 CarbonylContact C-O 3.56Å; K168-I224 WeakPolarHBondContact CA-O 3.3Å; Y169-I224 PolarHBondContact N-O 2.7Å; Y169-I224 PolarHBondContact O-N 3Å; L171-I224 HydrophobicContact CD1-CD1 3.5Å; L171-I224 VanDerWaalsContact CD1-CD1 3.5Å; L171-I224 HydrophobicContact CD1-CG1 3.96Å; F184-I224 HydrophobicContact CE2-CD1 3.89Å; F184-I224 HydrophobicContact CE2-CG2 4.42Å; F184-I224 HydrophobicContact CZ-CD1 4.2Å; M191-I224 HydrophobicContact CE-CD1 4.42Å; M191-I224 HydrophobicContact CE-CG2 4.46Å; M191-I224 HydrophobicContact SD-CD1 3.65Å; M191-I224 HydrophobicContact SD-CG2 4.21Å; L222-I224 HydrophobicContact CD2-CD1 4.03Å; L222-I224 HydrophobicContact CD2-CG1 4.19Å; L222-I224 HydrophobicContact CG-CG1 4.3Å; I224-F407 CarbonylContact C-O 3.57Å; I224-F407 VanDerWaalsContact CA-O 3.31Å; I224-F407 WeakPolarHBondContact CA-O 3.5Å; I224-V408 HydrophobicContact CG1-CG2 4.47Å; I224-V408 HydrophobicContact CG2-CG2 4.47Å
225G89.9Confident88.2Confident0 Ų031.5 Ų31.50%018%0.179CC..EExtended strand (participates in β ladder)trans-103.6141.816700000110.4K167 Y406 F407K167-G225 CarbonylContact O-C 3.54Å; K167-G225 WeakPolarHBondContact O-CA 3.27Å; G225-Y406 CarbonylContact O-C 3.6Å; G225-Y406 WeakPolarHBondContact O-CA 3.31Å; G225-F407 PolarHBondContact N-O 3.05Å; G225-F407 PolarHBondContact O-N 3.23Å
226V89.7Confident87.6Confident4 Ų433.7 Ų33.72%0.02420%0.195CC..EExtended strand (participates in β ladder)trans-117.9119.8173.3-169.20000108.7H166 K167 Y169 L188 L404 Y406H166-V226 PolarHBondContact N-O 2.73Å; K167-V226 HydrophobicContact CB-CB 4.11Å; K167-V226 HydrophobicContact CB-CG2 4.22Å; K167-V226 PolarHBondContact N-O 3.01Å; K167-V226 PolarHBondContact O-N 3.2Å; Y169-V226 HydrophobicContact CE2-CG2 4.12Å; L188-V226 HydrophobicContact CD1-CG2 4.05Å; L188-V226 HydrophobicContact CD2-CG2 4.26Å; V226-L404 HydrophobicContact CG1-CB 4.42Å; V226-L404 HydrophobicContact CG1-CD1 4.13Å; V226-L404 HydrophobicContact CG1-CD2 4.22Å; V226-Y406 HydrophobicContact CG1-CD1 4.39Å; V226-Y406 HydrophobicContact CG1-CE1 4.37Å; V226-Y406 HydrophobicContact CG2-CD1 4.22Å
227H90Very high87.1Confident6 Ų636.2 Ų36.23%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-95.3140.8162.8170.776000109.2L163 A164 I165 H166 I405 F407L163-H227 HydrophobicContact CB-CB 4.3Å; A164-H227 WeakPolarHBondContact O-CB 3.49Å; A164-H227 PolarHBondContact O-ND1 3.22Å; I165-H227 HydrophobicContact CD1-CB 4.38Å; H166-H227 AromaticContact CE1-ND1 3.79Å; H227-I405 HydrophobicContact CB-CB 4.18Å; H227-I405 PolarHBondContact N-O 3.14Å; H227-I405 PolarHBondContact O-N 2.88Å; H227-F407 HydrophobicContact CB-CE2 4.31Å
228D89.4Confident86.4Confident32 Ų3243.1 Ų43.117%0.17124%0.241CC..  trans-125.3106.7-178.7-175.4-43.2000106.6H166 E230 I231 A232 L404H166-D228 PolarHBondContact CE1-O 2.58Å; H166-D228 VanDerWaalsContact ND1-CB 3.35Å; H166-D228 WeakPolarHBondContact ND1-CB 3.28Å; H166-D228 PolarHBondContact ND1-N 3.21Å; D228-E230 PolarHBondContact O-N 3.31Å; D228-E230 WeakPolarHBondContact OD1-CB 3.04Å; D228-E230 PolarHBondContact OD1-N 3.28Å; D228-I231 HydrophobicContact CB-CB 4.15Å; D228-I231 HydrophobicContact CB-CD1 3.99Å; D228-I231 HydrophobicContact CB-CG1 4.15Å; D228-I231 PolarHBondContact O-N 2.92Å; D228-I231 PolarHBondContact OD1-N 3.23Å; D228-I231 VanDerWaalsContact OD1-N 3.11Å; D228-I231 WeakPolarHBondContact OD2-CD1 3.38Å; D228-A232 WeakPolarHBondContact O-CB 3.36Å; D228-A232 PolarHBondContact O-N 3.4Å; D228-L404 HydrophobicContact CB-CD2 3.85Å
229P86.8Confident85.6Confident36 Ų3649.7 Ų49.723%0.23428%0.276CS..Hα-helixtrans-62.8-29.3-177-22.934.5000113.5L233 P403P229-L233 VanDerWaalsContact O-CB 3.3Å; P229-L233 WeakPolarHBondContact O-CB 3.42Å; P229-L233 PolarHBondContact O-N 2.84Å; P229-P403 WeakPolarHBondContact CD-O 3.44Å
230E85.8Confident84.6Confident111 Ų11150 Ų5052%0.51929%0.287SS..Hα-helixtrans-72.5-46.6-178.5-62.3-179.2-17400110.2D228 L233 A234D228-E230 PolarHBondContact O-N 3.31Å; D228-E230 WeakPolarHBondContact OD1-CB 3.04Å; D228-E230 PolarHBondContact OD1-N 3.28Å; E230-L233 PolarHBondContact O-N 2.84Å; E230-A234 PolarHBondContact O-N 2.88Å
231I86Confident83Confident79 Ų7952.7 Ų52.741%0.40532%0.315SS..Hα-helixtrans-63-43.9174.9-61.6176.1000110.7D228 L233 A234 S235D228-I231 HydrophobicContact CB-CB 4.15Å; D228-I231 HydrophobicContact CB-CD1 3.99Å; D228-I231 HydrophobicContact CB-CG1 4.15Å; D228-I231 PolarHBondContact O-N 2.92Å; D228-I231 PolarHBondContact OD1-N 3.23Å; D228-I231 VanDerWaalsContact OD1-N 3.11Å; D228-I231 WeakPolarHBondContact OD2-CD1 3.38Å; I231-L233 VanDerWaalsContact C-N 3.33Å; I231-L233 PolarHBondContact O-N 2.93Å; I231-A234 PolarHBondContact O-N 2.82Å; I231-S235 PolarHBondContact O-N 2.84Å; I231-S235 PolarHBondContact O-OG 2.84Å
232A85Confident81.4Confident19 Ų1959.8 Ų59.816%0.15735%0.353CS..Hα-helixtrans-63.4-37.9178.800000112.8D228 S236D228-A232 WeakPolarHBondContact O-CB 3.36Å; D228-A232 PolarHBondContact O-N 3.4Å; A232-S236 WeakPolarHBondContact O-CB 3.1Å; A232-S236 PolarHBondContact O-N 3.32Å; A232-S236 VanDerWaalsContact O-N 3.09Å; A232-S236 PolarHBondContact O-OG 2.83Å
233L85.3Confident79.7Confident102 Ų10267.1 Ų67.153%0.53439%0.392SS..Hα-helixtrans-67.4-43.2175.9-179.161000111.3P229 E230 I231 S236 L237P229-L233 VanDerWaalsContact O-CB 3.3Å; P229-L233 WeakPolarHBondContact O-CB 3.42Å; P229-L233 PolarHBondContact O-N 2.84Å; E230-L233 PolarHBondContact O-N 2.84Å; I231-L233 VanDerWaalsContact C-N 3.33Å; I231-L233 PolarHBondContact O-N 2.93Å; L233-S236 PolarHBondContact O-N 2.87Å; L233-L237 HydrophobicContact CD1-CD1 4.47Å; L233-L237 HydrophobicContact CG-CD1 4.29Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.03Å; L233-L237 VanDerWaalsContact O-N 3.15Å
234A85.9Confident77.5Confident46 Ų4669.6 Ų69.638%0.3842%0.421SS..Hα-helixtrans-58.5-50.7176.100000111.7E230 I231 S236 L237 E238E230-A234 PolarHBondContact O-N 2.88Å; I231-A234 PolarHBondContact O-N 2.82Å; A234-S236 VanDerWaalsContact C-N 3.28Å; A234-S236 PolarHBondContact O-N 2.99Å; A234-L237 PolarHBondContact O-N 3.13Å; A234-E238 PolarHBondContact O-N 3.26Å; A234-E238 VanDerWaalsContact O-N 3.12Å
235S81.3Confident75.2Confident53 Ų5377.8 Ų77.837%0.37146%0.459SS..Hα-helixtrans-58.7-38.3176.5-55.50000112.8I231 L237 E238 D239I231-S235 PolarHBondContact O-N 2.84Å; I231-S235 PolarHBondContact O-OG 2.84Å; S235-L237 VanDerWaalsContact C-N 3.25Å; S235-L237 PolarHBondContact O-N 3.04Å; S235-E238 PolarHBondContact O-N 3.48Å; S235-D239 PolarHBondContact O-N 2.94Å; S235-D239 VanDerWaalsContact O-N 3.16Å
236S78.2Confident72.6Confident67 Ų6782 Ų8247%0.46950%0.503SS..Hα-helixtrans-68.7-21.9178.4-55.60000113.6A232 L233 A234A232-S236 WeakPolarHBondContact O-CB 3.1Å; A232-S236 PolarHBondContact O-N 3.32Å; A232-S236 VanDerWaalsContact O-N 3.09Å; A232-S236 PolarHBondContact O-OG 2.83Å; L233-S236 PolarHBondContact O-N 2.87Å; A234-S236 VanDerWaalsContact C-N 3.28Å; A234-S236 PolarHBondContact O-N 2.99Å
237L80.3Confident70.5Confident120 Ų12087.7 Ų87.763%0.62854%0.538SS*.Hα-helixtrans-87.4-30.5176.1-69.5168.7000112L233 A234 S235L233-L237 HydrophobicContact CD1-CD1 4.47Å; L233-L237 HydrophobicContact CG-CD1 4.29Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.03Å; L233-L237 VanDerWaalsContact O-N 3.15Å; A234-L237 PolarHBondContact O-N 3.13Å; S235-L237 VanDerWaalsContact C-N 3.25Å; S235-L237 PolarHBondContact O-N 3.04Å
238E76.9Confident67.9Low146 Ų14691.5 Ų91.568%0.68258%0.578SS**Hα-helixtrans-69-47.8174.9-70.2177177.600111.2A234 S235 A240 G241A234-E238 PolarHBondContact O-N 3.26Å; A234-E238 VanDerWaalsContact O-N 3.12Å; S235-E238 PolarHBondContact O-N 3.48Å; E238-A240 PolarHBondContact O-N 3.43Å; E238-G241 PolarHBondContact O-N 2.96Å
239D70.4Confident65.5Low139 Ų13993.9 Ų93.974%0.74361%0.611SS**THydrogen-bonded Turntrans-61.4-28.1177.6-77.7-20.1000112.9S235 G241S235-D239 PolarHBondContact O-N 2.94Å; S235-D239 VanDerWaalsContact O-N 3.16Å; D239-G241 VanDerWaalsContact C-N 3.32Å
240A63.7Low63.1Low72 Ų7296.9 Ų96.960%0.59564%0.638SS**THydrogen-bonded Turntrans-83.4-3.6178.300000114.1E238E238-A240 PolarHBondContact O-N 3.43Å
241G56.8Low60.9Low57 Ų57103.2 Ų103.259%0.58866%0.658SS**SBendtrans-93.6-19-173.500000115.9E238 D239E238-G241 PolarHBondContact O-N 2.96Å; D239-G241 VanDerWaalsContact C-N 3.32Å
242D55.8Low58.8Low150 Ų150106.8 Ų106.880%0.80268%0.682SS**THydrogen-bonded Turntrans-85.7-12.3-169.2-156.437.2000114G244D242-G244 PolarHBondContact O-N 3.37Å; D242-G244 VanDerWaalsContact O-N 3.12Å
243D55.4Low56.6Low155 Ų155109.6 Ų109.683%0.82971%0.714SS**THydrogen-bonded Turntrans-77.46.4-174.4-69.2-25000114.8
244G44.2Very low54.1Low64 Ų64108.3 Ų108.366%0.6673%0.725SS**SBendtrans-133.2-4.8-146.100000121.6D242D242-G244 PolarHBondContact O-N 3.37Å; D242-G244 VanDerWaalsContact O-N 3.12Å
245E42Very low51.8Low175 Ų175112 Ų11282%0.81875%0.746SS**  trans-143.647.2-175-139.4170.7-161.700117.7T247E245-T247 VanDerWaalsContact C-N 3.26Å; E245-T247 PolarHBondContact O-N 3.17Å
246G36.4Very low49.7Very low90 Ų90116.6 Ų116.693%0.92877%0.772SS**  trans-73.462.4168.400000114.7
247T44.9Very low47.7Very low123 Ų123117.2 Ų117.276%0.75579%0.789SS**  trans-126.7138.9178.669.20000115.1E245E245-T247 VanDerWaalsContact C-N 3.26Å; E245-T247 PolarHBondContact O-N 3.17Å
248G35.2Very low45.6Very low85 Ų85116.7 Ų116.788%0.87680%0.802SS**  trans92.434.3147.200000120.8
249G38.8Very low43.6Very low83 Ų83113.2 Ų113.286%0.85681%0.805SS**  trans-112.774177.700000115.7
250A37.4Very low42.1Very low98 Ų98114 Ų11481%0.8182%0.815SS**  trans-69.2132.7-172.700000115.3
251R38.8Very low40.8Very low245 Ų245114.2 Ų114.293%0.92582%0.824SS**  trans-158.989.2155.3-108.9161.3-162.1-149.53.5114.2
252V43Very low39.7Very low153 Ų153115.7 Ų115.793%0.92784%0.839SS**  trans31.1117.7144.3-171.20000120.1
253G37.7Very low38.7Very low79 Ų79112.3 Ų112.381%0.81484%0.839SS**  trans113.9121.9155.100000114.4
254G34.1Very low37.7Very low74 Ų74109.1 Ų109.176%0.76384%0.844SS**  cis177.5162.3-700000111.5
255C37.4Very low37.2Very low123 Ų123110.1 Ų110.183%0.83185%0.854SS**  trans73.289.2161.7-66.10000121.2
256V36.5Very low36.8Very low151 Ų151105.8 Ų105.892%0.91586%0.856SS**  62.8128126.2-67.50000124.4
257G35Very low36.8Very low80 Ų80106.9 Ų106.983%0.82585%0.849SS**  trans121.3126.1143.400000116.1
258A37.9Very low36.4Very low108 Ų108108.8 Ų108.889%0.89386%0.855SS**  cis169137.9-30.600000106.8
259G34.6Very low36.5Very low73 Ų73110.6 Ų110.675%0.75385%0.854SS**  trans111.6108.1177.800000113
260V39.2Very low36.2Very low156 Ų156110.1 Ų110.195%0.94585%0.849SS**  cis90.9119.126.1-1730000114.7
261G35.2Very low35.9Very low76 Ų76112.1 Ų112.178%0.78485%0.851SS**  trans116114.9-179.500000110.4
262G35.3Very low35.7Very low89 Ų89108.1 Ų108.192%0.91885%0.847SS**  cis99.5129.627.100000109.2
263G34Very low35.1Very low78 Ų78109.6 Ų109.680%0.80484%0.844SS**  cis170.9159.8-2.800000110.4
264G33.4Very low35.1Very low89 Ų89111.5 Ų111.592%0.91884%0.842SS**  trans73.4149.5177.700000115.1
265G34.1Very low34.9Very low85 Ų85114.7 Ų114.788%0.87684%0.842SS**  cis143.31430.500000110.6
266G34.7Very low34.4Very low83 Ų83113.4 Ų113.486%0.85683%0.834SS**  trans127.390.2169.300000115.6
267S35.2Very low34.2Very low113 Ų113117.9 Ų117.979%0.7983%0.834SS**  trans-72.9146.8162.4-43.40000110.8
268N37.3Very low33.9Very low164 Ų164117.4 Ų117.488%0.87783%0.829SS**  -170150.6124.3-102.2-14.5000114
269S36Very low33.5Very low122 Ų122122.4 Ų122.485%0.85383%0.831SS**  trans-68.6144.7-173.2-48.50000114.2
270G33.7Very low33.5Very low73 Ų73126.1 Ų126.175%0.75383%0.834SS**  trans-135.3108.3164.500000110.2
271V31.9Very low33Very low141 Ų141125.7 Ų125.786%0.85583%0.826SS**  trans-77.3118.9173.6173.20000108.8
272L33.9Very low32.7Very low161 Ų161133.5 Ų133.584%0.84383%0.832SS**  trans-145117.9169.6-72.7176.1000110.2
273E30.2Very low32.3Very low183 Ų183137.1 Ų137.186%0.85583%0.827SS**  trans-66.3156.2153.3-64.3-173.3107.400109.4
274P37.1Very low32.1Very low119 Ų119139.4 Ų139.477%0.77383%0.825SS**  -148.7132.8115.233.9-17000116.1
275N29.9Very low31.7Very low142 Ų142140.3 Ų140.376%0.75982%0.817SS**  25.3119.9120.1-115.7-21.1000120.5
276S28.2Very low31.4Very low95 Ų95142.1 Ų142.166%0.66482%0.817SS**  trans42.3103.8131.451.30000121.1
277R31.6Very low31.1Very low245 Ų245141.6 Ų141.693%0.92581%0.811SS**  trans-142.3132.8144.5-61.2-173.9-178.31533.4106.9
278G28.3Very low30.7Very low70 Ų70144.7 Ų144.772%0.72282%0.819SS**  cis86.577.627.800000108
279F30Very low30.7Very low214 Ų214139.3 Ų139.394%0.93980%0.802SS**  trans-102.8105.9-177.5-141.1-88000109.2
280D34Very low30.8Very low150 Ų150139.8 Ų139.880%0.80280%0.795SS**  trans-76.2144.3179.7-80.7-57000112.2R282D280-R282 PolarHBondContact O-N 3.4Å
281D28.4Very low31Very low148 Ų148138.9 Ų138.979%0.79179%0.785SS**  trans-55.4127.3168.1-106.4-55.5000111.8
282R30.2Very low32.1Very low240 Ų240135.4 Ų135.491%0.90677%0.767SS**  trans-148.991.7158.1-116.7171.1-170.5162.75.5112.4D280D280-R282 PolarHBondContact O-N 3.4Å
283M27.4Very low32.8Very low164 Ų164133.2 Ų133.281%0.80876%0.755SS**  trans-54.9135.3167.7-67.5-179.1170.600111.9
284V29.4Very low34.2Very low126 Ų126127.8 Ų127.876%0.76474%0.738SS**  trans-130.1123.3152.8-178.20000107.8
285S25.3Very low35Very low108 Ų108124.8 Ų124.876%0.75572%0.72SS**  trans-96.9137179.1172.80000110.6
286S26.7Very low36.6Very low124 Ų124120.8 Ų120.887%0.86770%0.696SS**  trans-177.4134.6151.2-81.70000111.4
287G28.6Very low37.8Very low71 Ų71121.2 Ų121.273%0.73268%0.683SS**  trans12686.9154.600000116.8G289G287-G289 PolarHBondContact O-N 2.9Å
288D27.8Very low39.1Very low179 Ų179113.4 Ų113.496%0.95766%0.657SS**  trans-72.8115.7168-52.7-57.2000110.3
289G35.9Very low40.1Very low51 Ų51113.2 Ų113.253%0.52665%0.645SS.*  trans-140.177.5-162.500000117.2G287 G291G287-G289 PolarHBondContact O-N 2.9Å; G289-G291 PolarHBondContact O-N 3.49Å; G289-G291 VanDerWaalsContact O-N 3.16Å
290L37.7Very low40.4Very low132 Ų132104.8 Ų104.869%0.69162%0.618SS**  trans20.274.6155.2-59178.5000118.9H36H36-L290 PolarHBondContact N-O 3.33Å
291G39.5Very low40.3Very low53 Ų53106.8 Ų106.855%0.54661%0.614SS.*EExtended strand (participates in β ladder)trans-151.6144.8166.100000111.8G289G289-G291 PolarHBondContact O-N 3.49Å; G289-G291 VanDerWaalsContact O-N 3.16Å
292S53.7Low40.3Very low69 Ų69106.5 Ų106.548%0.48361%0.612SS.*EExtended strand (participates in β ladder)trans-114.8120.4174.3175.20000110.4N34N34-S292 PolarHBondContact N-O 3.2Å; N34-S292 PolarHBondContact ND2-O 3.44Å; N34-S292 PolarHBondContact O-N 3.47Å; N34-S292 VanDerWaalsContact O-N 3.11Å
293L49.1Very low40.1Very low114 Ų114100.3 Ų100.360%0.59761%0.605SS**EExtended strand (participates in β ladder)trans-108130.5172.7-67.2171.5000108.7V33V33-L293 HydrophobicContact CB-CD2 4.09Å; V33-L293 HydrophobicContact CG1-CD2 3.8Å; V33-L293 HydrophobicContact CG2-CD2 3.63Å
294S59.2Low40Very low70 Ų70100.9 Ų100.949%0.4961%0.608SS.*EExtended strand (participates in β ladder)trans-127.6123.9171.2176.20000108.9V31 K32V31-S294 CarbonylContact C-O 3.57Å; V31-S294 WeakPolarHBondContact CA-O 3.36Å; K32-S294 PolarHBondContact N-O 2.63Å; K32-S294 PolarHBondContact O-N 2.82Å; K32-S294 VanDerWaalsContact O-N 3.08Å
295S54.9Low39.8Very low56 Ų5698.4 Ų98.439%0.39260%0.601SS.*EExtended strand (participates in β ladder)trans-124.8130.7-176.9-66.70000110.9Y6 K30 V31Y6-S295 WeakPolarHBondContact OH-CB 3.46Å; Y6-S295 PolarHBondContact OH-OG 3.18Å; K30-S295 WeakPolarHBondContact O-CA 3.32Å; V31-S295 WeakPolarHBondContact CG2-OG 3.21Å
296Q62.6Low39.9Very low58 Ų58104.9 Ų104.927%0.27161%0.609SS.*EExtended strand (participates in β ladder)trans-122.4125.8-178.7-171.9-177.818.200109.1K30K30-Q296 PolarHBondContact N-O 3.11Å; K30-Q296 PolarHBondContact O-N 3.17Å
297W53Low39.8Very low103 Ų103104.2 Ų104.239%0.3960%0.604SS.*EExtended strand (participates in β ladder)trans-113.6114.4172.5-78.494.2000108.7A10 L11 V14 M29 P54A10-W297 HydrophobicContact CB-CZ2 3.64Å; L11-W297 HydrophobicContact CD2-CH2 3.68Å; L11-W297 HydrophobicContact CD2-CZ3 4.12Å; L11-W297 HydrophobicContact CG-CH2 4.06Å; V14-W297 HydrophobicContact CG2-CH2 4.18Å; V14-W297 HydrophobicContact CG2-CZ3 4.49Å; M29-W297 HydrophobicContact CB-CD2 4.2Å; M29-W297 HydrophobicContact CB-CE3 3.94Å; M29-W297 HydrophobicContact CB-CH2 4.16Å; M29-W297 HydrophobicContact CB-CZ2 4.4Å; M29-W297 HydrophobicContact CB-CZ3 3.91Å; M29-W297 HydrophobicContact CE-CH2 3.73Å; M29-W297 HydrophobicContact CE-CZ2 4.08Å; M29-W297 HydrophobicContact CE-CZ3 4.36Å; M29-W297 HydrophobicContact CG-CD2 4.27Å; M29-W297 HydrophobicContact CG-CE3 4.45Å; M29-W297 HydrophobicContact CG-CH2 4.25Å; M29-W297 HydrophobicContact CG-CZ2 4.04Å; M29-W297 HydrophobicContact CG-CZ3 4.44Å; M29-W297 HydrophobicContact SD-CH2 3.54Å; M29-W297 VanDerWaalsContact SD-CH2 3.54Å; M29-W297 HydrophobicContact SD-CZ2 3.25Å; M29-W297 WeakPolarHBondContact SD-CZ2 3.35Å; M29-W297 HydrophobicContact SD-CZ3 4.28Å; P54-W297 HydrophobicContact CG-CZ3 4.14Å
298Q59.5Low40Very low81 Ų81105.8 Ų105.838%0.37960%0.604SS.*EExtended strand (participates in β ladder)trans-105.4104.3172.5-153.3178.630.500108.5A27 Y28A27-Q298 VanDerWaalsContact CA-O 3.26Å; A27-Q298 WeakPolarHBondContact CA-O 3.25Å; A27-Q298 VanDerWaalsContact CB-O 3.26Å; A27-Q298 WeakPolarHBondContact CB-O 3.32Å; Y28-Q298 HydrophobicContact CE1-CB 4.23Å; Y28-Q298 HydrophobicContact CE2-CB 4.38Å; Y28-Q298 PolarHBondContact N-O 3.15Å; Y28-Q298 PolarHBondContact O-N 2.9Å; Y28-Q298 VanDerWaalsContact O-N 3.09Å; Y28-Q298 PolarHBondContact OH-OE1 2.89Å; Y28-Q298 VanDerWaalsContact OH-OE1 3.13Å
299C50.3Low39.9Very low67 Ų67104.5 Ų104.545%0.45360%0.595SS.*  trans-121.8134.3167.9-179.10000107R301C299-R301 PolarHBondContact O-N 3.48Å
300G36.4Very low39.7Very low36 Ų36108.3 Ų108.337%0.37161%0.608SS.*  trans-52.3125-173.300000112.8L302G300-L302 PolarHBondContact O-N 3.4Å
301R30.4Very low39.2Very low192 Ų192110 Ų11073%0.72562%0.617SS**  trans-88105.4-177-153.9-175.9-142.5-158.69.1108.6C299 S303C299-R301 PolarHBondContact O-N 3.48Å; R301-S303 PolarHBondContact O-N 2.99Å
302L28.6Very low38.7Very low143 Ų143111 Ų11175%0.74963%0.628SS**  trans-62.7101170.3-82.7170.5000109.8G300 M304G300-L302 PolarHBondContact O-N 3.4Å; L302-M304 VanDerWaalsContact C-N 3.33Å; L302-M304 PolarHBondContact O-N 3.1Å
303S25.4Very low37.6Very low109 Ų109116 Ų11676%0.76265%0.648SS**  trans-67.490.7165.5179.60000109.1R301 A305R301-S303 PolarHBondContact O-N 2.99Å; S303-A305 PolarHBondContact O-N 2.99Å
304M25.7Very low36.8Very low176 Ų176115 Ų11587%0.86765%0.651SS**  trans-71.883.7161.4-86.8-161.6-79.900109L302 R306L302-M304 VanDerWaalsContact C-N 3.33Å; L302-M304 PolarHBondContact O-N 3.1Å; M304-R306 PolarHBondContact O-N 3.05Å
305A26Very low35.6Very low74 Ų74117.5 Ų117.561%0.61267%0.668SS**  trans-58.2123.4162.200000108.6S303 S307S303-A305 PolarHBondContact O-N 2.99Å; A305-S307 VanDerWaalsContact C-N 3.34Å; A305-S307 PolarHBondContact O-N 3.31Å
306R26.2Very low34.7Very low245 Ų245120.2 Ų120.293%0.92569%0.687SS**  trans-7487.4178.2-64.8175.678179.75.5109M304 S308M304-R306 PolarHBondContact O-N 3.05Å; R306-S308 PolarHBondContact O-N 2.79Å
307S26.4Very low33.3Very low110 Ų110121.6 Ų121.677%0.76971%0.709SS**  trans-66.794.9169.4-66.90000110.2A305 I309A305-S307 VanDerWaalsContact C-N 3.34Å; A305-S307 PolarHBondContact O-N 3.31Å; S307-I309 PolarHBondContact O-N 3.16Å
308S31.3Very low32.3Very low104 Ų104121.5 Ų121.573%0.72773%0.729SS**  trans-67110.1163.4510000108.9R306 V310R306-S308 PolarHBondContact O-N 2.79Å; S308-V310 PolarHBondContact O-N 2.93Å
309I27.2Very low31.1Very low152 Ų152121.7 Ų121.778%0.77975%0.745SS**  trans-62.3119170.4-69170.9000108.5S307S307-I309 PolarHBondContact O-N 3.16Å
310V30.9Very low30.3Very low131 Ų131127.7 Ų127.779%0.79477%0.766SS**  trans-127.2123.8162.5-178.20000107.3S308S308-V310 PolarHBondContact O-N 2.93Å
311L26.8Very low30Very low166 Ų166130 Ų13087%0.86978%0.782SS**  trans-79132.5-178.9-68161.8000110
312G29.2Very low30.1Very low76 Ų76125.8 Ų125.878%0.78479%0.788SS**  trans-168.395.1-178.200000114.1
313L30.7Very low30.3Very low173 Ų173124.9 Ų124.991%0.90679%0.794SS**  trans-41.1152.9161.7-61.1162.9000112.5
314S33.3Very low30.4Very low94 Ų94126 Ų12666%0.65780%0.8SS**  cis-176.5150.77.643.50000111.7
315S34Very low30.8Very low122 Ų122120.9 Ų120.985%0.85379%0.793SS**  trans60162.9155.888.70000117.6
316S35.1Very low31.3Very low113 Ų113124.7 Ų124.779%0.7981%0.808SS**  cis-174.6146.9-15.1152.60000107.1
317A33.2Very low31.5Very low87 Ų87116.9 Ų116.972%0.71980%0.804SS**  cis-169.6-168.1-12.500000108.6
318A32.8Very low31.9Very low100 Ų100115.5 Ų115.583%0.82681%0.807SS**  trans26.2150150.900000123
319A33.7Very low31.8Very low85 Ų85117.6 Ų117.670%0.70282%0.815SS**  cis-177.7177.8-13.800000109.3
320E32.7Very low32.1Very low193 Ų193114 Ų11490%0.90282%0.816SS**  trans69.4157.1158.6-53.6-150124.600119.3
321A31.3Very low32.1Very low85 Ų85113.8 Ų113.870%0.70282%0.815SS**  cis-165.2156.9-32.300000110.6
322A31.8Very low32.4Very low104 Ų104109.5 Ų109.586%0.8681%0.811SS**  trans15.3137.8157.300000123.3
323S33.5Very low32.4Very low124 Ų124115.9 Ų115.987%0.86782%0.817SS**  -169.5156.9127.6-167.30000113.1
324C27.7Very low32.5Very low131 Ų131111.2 Ų111.289%0.88581%0.811SS**  trans-102.3168.2-175.9-66.20000114.3
325G33.8Very low32.5Very low70 Ų70114 Ų11472%0.72282%0.824SS**  trans157.589.9165.900000111.8
326V36.1Very low32.5Very low153 Ų153111.8 Ų111.893%0.92782%0.821SS**  6511579.1-176.80000114.9
327G31.1Very low32.3Very low81 Ų81114.9 Ų114.984%0.83583%0.828SS**  trans107.9124.214400000117.6
328G33.4Very low32.4Very low82 Ų82115.5 Ų115.585%0.84583%0.834SS**  trans156.583.9168.200000114.7
329V29.8Very low32.4Very low147 Ų147116.2 Ų116.289%0.89183%0.833SS**  trans-90131.3169.6175.90000109.2V331V329-V331 HydrophobicContact CG1-CG2 4.4Å
330G32.5Very low32.5Very low78 Ų78117.9 Ų117.980%0.80484%0.835SS**  trans-147.7117.5171.900000110.6
331V31.1Very low32.4Very low126 Ų126112.4 Ų112.476%0.76483%0.83SS**  trans-107.2128.9179.3-165.90000108.4V329 F333V329-V331 HydrophobicContact CG1-CG2 4.4Å; V331-F333 HydrophobicContact CG1-CE2 4.41Å
332G33Very low32.6Very low76 Ų76114.6 Ų114.678%0.78483%0.83SS**  trans-148111.7177.500000111.1
333F30.1Very low32.9Very low209 Ų209117.2 Ų117.292%0.91783%0.829SS**  trans-81.8134.2170.9-78.6-94.5000110V331V331-F333 HydrophobicContact CG1-CE2 4.41Å
334G33.6Very low33.2Very low76 Ų76118.7 Ų118.778%0.78483%0.827SS**  trans-146.3109.617100000110
335T32.8Very low33.8Very low152 Ų152119.9 Ų119.993%0.93383%0.825SS**  trans-80.5129177.846.70000111
336G34.2Very low34.2Very low76 Ų76124.9 Ų124.978%0.78483%0.83SS**  trans-147.3114.2170.800000111
337N30.2Very low34.2Very low177 Ų177126.9 Ų126.995%0.94783%0.829SS**  trans-75.9126.8169.9-101.616.7000109.4
338A35.4Very low34.5Very low101 Ų101129.5 Ų129.584%0.83582%0.819SS**  trans-149.9131.6155.200000109.9
339S33.2Very low34.5Very low114 Ų114133.6 Ų133.680%0.79782%0.822SS**  trans-76.9133.7174.648.70000112.3
340T35.6Very low34.6Very low121 Ų121129 Ų12974%0.74281%0.805SS**  -160.6141.3119.7320000107.7
341G30.6Very low34.5Very low78 Ų78130.8 Ų130.880%0.80479%0.794SS**  trans-102.3114.7163.700000106.5
342D34.8Very low34.4Very low130 Ų130130 Ų13070%0.69579%0.794SS**  trans-106.2139.1174.8-73.5-61.4000108.9
343D38.3Very low34.3Very low159 Ų159133.4 Ų133.485%0.8579%0.793SS**  trans-84.8106.1-179.5-67.4-70.5000110.3D345D343-D345 VanDerWaalsContact C-N 3.34Å; D343-D345 PolarHBondContact O-N 2.89Å
344D39.9Very low34.4Very low155 Ų155128.9 Ų128.983%0.82979%0.785SS**  trans-8075.1174.3-73-45.1000111.8E346D344-E346 PolarHBondContact O-N 3.03Å
345D40.9Very low34.2Very low156 Ų156134.6 Ų134.683%0.83479%0.791SS**  trans-7887.4159-101.4-41000108.9D343 E347D343-D345 VanDerWaalsContact C-N 3.34Å; D343-D345 PolarHBondContact O-N 2.89Å; D345-E347 PolarHBondContact O-N 3.14Å; D345-E347 VanDerWaalsContact O-N 3.08Å
346E41.9Very low34.2Very low176 Ų176134.3 Ų134.382%0.82278%0.784SS**  trans-67.4105.1173.8-74.5-168.4156.500111.5D344 E348D344-E346 PolarHBondContact O-N 3.03Å; E346-E348 PolarHBondContact O-N 3.36Å
347E36.2Very low34Very low194 Ų194137.5 Ų137.591%0.90778%0.783SS**  trans-71.599167.3-67.9-163.214500111D345D345-E347 PolarHBondContact O-N 3.14Å; D345-E347 VanDerWaalsContact O-N 3.08Å
348E37.4Very low34Very low136 Ų136134 Ų13464%0.63677%0.768SS**  trans-81.2121.4165-86-156147.300111.9E346 G350E346-E348 PolarHBondContact O-N 3.36Å; E348-G350 PolarHBondContact O-N 3.3Å
349D33.4Very low33.7Very low169 Ų169137.7 Ų137.790%0.90477%0.768SS**  trans-55.1101.2176.4-85.7-51000113.8
350G31.5Very low33.8Very low51 Ų51137.9 Ų137.953%0.52676%0.764SS.*  trans-88.9112.6173.500000112.7E348 S352E348-G350 PolarHBondContact O-N 3.3Å; G350-S352 PolarHBondContact O-N 2.94Å; G350-S352 VanDerWaalsContact O-N 3.14Å
351I30.4Very low33.5Very low114 Ų114136.8 Ų136.859%0.58576%0.759SS**PPolyproline II helixtrans-60.1116.8173.3-65.5167.5000110.4
352S29Very low33.8Very low110 Ų110138.9 Ų138.977%0.76976%0.756SS**PPolyproline II helixtrans-68131.7172.9480000111.7G350G350-S352 PolarHBondContact O-N 2.94Å; G350-S352 VanDerWaalsContact O-N 3.14Å
353I31.7Very low33.9Very low147 Ų147136.7 Ų136.775%0.75475%0.751SS**PPolyproline II helixtrans-96.3130.6164.2-60.7179.6000106.3
354P30.6Very low33.8Very low114 Ų114137.8 Ų137.874%0.7475%0.751SS**PPolyproline II helixtrans-64.4141.8-178.826.7-34.8000111.2N356P354-N356 PolarHBondContact O-N 3.09Å
355E31.5Very low33.7Very low196 Ų196137 Ų13792%0.91675%0.746SS**  trans-62102.6176.2-62175.5128.300110
356N31.8Very low34Very low146 Ų146135.5 Ų135.578%0.78174%0.743SS**  trans-87.8109.6162.6-162.130.2000108.2P354 T358P354-N356 PolarHBondContact O-N 3.09Å; N356-T358 VanDerWaalsContact C-N 3.25Å; N356-T358 PolarHBondContact O-N 3.13Å
357N29Very low34.2Very low143 Ų143132.8 Ų132.877%0.76574%0.74SS**  trans-75.671.3-170-167.320000111.7
358T31.5Very low35Very low103 Ų103129.2 Ų129.263%0.63273%0.734SS**  trans-95.2103.7171.8-52.10000108.9N356 V360N356-T358 VanDerWaalsContact C-N 3.25Å; N356-T358 PolarHBondContact O-N 3.13Å; T358-V360 PolarHBondContact O-N 3.05Å; T358-V360 VanDerWaalsContact O-N 3.07Å
359Q28Very low35.4Very low180 Ų180130.5 Ų130.584%0.84175%0.745SS**  trans-59.8109.8172.5-72.1173.5-29.100110.1
360V35.9Very low36.3Very low117 Ų117127.2 Ų127.271%0.70974%0.735SS**  trans-94.1126.2165.9-169.30000106.9T358 T362T358-V360 PolarHBondContact O-N 3.05Å; T358-V360 VanDerWaalsContact O-N 3.07Å; V360-T362 PolarHBondContact O-N 3.03Å
361P28.9Very low37Very low98 Ų98129.5 Ų129.564%0.63674%0.741SS**  trans-59.6123.2-177.4-23.933.8000111.6S363P361-S363 PolarHBondContact O-N 3.35Å
362T37Very low37.4Very low122 Ų122130 Ų13075%0.74875%0.752SS**  trans-83.515-175.840.40000114.1V360V360-T362 PolarHBondContact O-N 3.03Å
363S37.2Very low37.5Very low84 Ų84128.3 Ų128.359%0.58775%0.751SS**  trans-87.9-0.2-166.3-50.50000116P361P361-S363 PolarHBondContact O-N 3.35Å
364E36.4Very low37.6Very low183 Ų183126 Ų12686%0.85576%0.755SS**  trans-116.757.3-178.9-73.5-169.5124.300113
365L38.4Very low37.9Very low138 Ų138128.5 Ų128.572%0.72376%0.756SS**  trans-136.227.6-179.7-72.5178.1000115.5
366T45.8Very low38.1Very low125 Ų125125.2 Ų125.277%0.76775%0.754SS**SBendtrans-104.8130163.6450000110.1
367P45.9Very low38.2Very low118 Ų118124.6 Ų124.677%0.76675%0.75SS**PPolyproline II helixtrans-60.3138.7171.4-18.831.4000110.2
368P53.1Low38.6Very low120 Ų120122.9 Ų122.978%0.77975%0.746SS**PPolyproline II helixtrans-65.6146.6171.928.1-33.9000110.6
369D47.5Very low38.9Very low162 Ų162124.6 Ų124.687%0.86675%0.747SS**PPolyproline II helixtrans-54.5141.7174.6-83.7-49.6000111.4P371D369-P371 WeakPolarHBondContact O-CD 3.06Å
370S50.9Low39.6Very low100 Ų100123.7 Ų123.770%0.69975%0.747SS**PPolyproline II helixtrans-67.2121.6-175.7-66.30000110.9
371P46.7Very low40.5Very low99 Ų99121.2 Ų121.264%0.64373%0.727SS**PPolyproline II helixtrans-64.6153.4169.128.1-33.4000110D369D369-P371 WeakPolarHBondContact O-CD 3.06Å
372P39.1Very low41.5Very low126 Ų126121.4 Ų121.482%0.81873%0.731SS**SBendtrans-57.2148174.4-18.130.1000110.6A374P372-A374 PolarHBondContact O-N 3.03Å
373G30.1Very low42.9Very low73 Ų73117.4 Ų117.475%0.75371%0.713SS**  trans-47.9107.4-166.900000114.4E375G373-E375 PolarHBondContact O-N 2.84Å
374A34Very low45Very low100 Ų100120.5 Ų120.583%0.82672%0.719SS**  trans-74.388156.100000107P372 C376P372-A374 PolarHBondContact O-N 3.03Å; A374-C376 PolarHBondContact O-N 3.22Å
375E36.7Very low47.2Very low165 Ų165113.4 Ų113.477%0.77169%0.686SS**  trans-53.3128.2166.8-62.7-167.113600108.3G373 L377G373-E375 PolarHBondContact O-N 2.84Å; E375-L377 PolarHBondContact O-N 3.08Å
376C36.2Very low49.4Very low127 Ų127110.8 Ų110.886%0.85867%0.67SS**  trans-72.782.5170.5-170.40000106.7A374A374-C376 PolarHBondContact O-N 3.22Å
377L33.9Very low51.1Low133 Ų133109.6 Ų109.670%0.69667%0.665SS**  trans-46.8128.3179-80.1171.5000108.6E375 Q379E375-L377 PolarHBondContact O-N 3.08Å; L377-Q379 PolarHBondContact O-N 3.43Å
378P36.5Very low52.8Low107 Ų107106.7 Ų106.770%0.69565%0.645SS**  trans-57.3102.1177.5-24.133.7000109.4L380P378-L380 PolarHBondContact O-N 3.02Å
379Q37.9Very low54.4Low140 Ų140103 Ų10365%0.65462%0.618SS**  trans-63103.8173.3-80.9-171.2-21.500107.4R162 L377 F381R162-Q379 PolarHBondContact NH2-O 2.84Å; L377-Q379 PolarHBondContact O-N 3.43Å; Q379-F381 PolarHBondContact O-N 2.87Å
380L42.9Very low56.4Low160 Ų16095.6 Ų95.684%0.83858%0.578SS**  trans-39124.8-179.9-136.781.5000109.4P378 S382P378-L380 PolarHBondContact O-N 3.02Å; L380-S382 PolarHBondContact O-N 3.15Å
381F54.6Low58.3Low65 Ų6592.8 Ų92.829%0.28555%0.554SS.*  trans-62.5109.2-169176.4-113.8000110.3L163 Q379 G383 E384 L385 I405L163-F381 HydrophobicContact CD1-CD2 4.38Å; L163-F381 HydrophobicContact CD1-CE2 4.2Å; L163-F381 HydrophobicContact CD2-CB 4.37Å; L163-F381 HydrophobicContact CD2-CD2 3.81Å; L163-F381 HydrophobicContact CD2-CE2 4.45Å; L163-F381 HydrophobicContact CD2-CG 4.22Å; Q379-F381 PolarHBondContact O-N 2.87Å; F381-G383 VanDerWaalsContact CE1-CA 3.49Å; F381-G383 VanDerWaalsContact CZ-C 3.48Å; F381-G383 WeakPolarHBondContact CZ-O 3.36Å; F381-G383 PolarHBondContact O-N 2.89Å; F381-E384 WeakPolarHBondContact CE2-O 3.45Å; F381-L385 HydrophobicContact CE2-CD2 4.18Å; F381-L385 HydrophobicContact CZ-CD2 4.41Å; F381-I405 HydrophobicContact CE1-CD1 3.65Å; F381-I405 HydrophobicContact CE2-CD1 4.07Å; F381-I405 HydrophobicContact CZ-CD1 3.36Å
382S51.5Low60.5Low103 Ų10388.2 Ų88.272%0.7252%0.524SS*.  trans-73.924-174-171.70000113.4L380 E384L380-S382 PolarHBondContact O-N 3.15Å; S382-E384 PolarHBondContact O-N 2.83Å
383G65.9Low63.1Low37 Ų3783 Ų8338%0.38149%0.494SS..SBendtrans70.7-26.2-174.800000115.3F381 K395F381-G383 VanDerWaalsContact CE1-CA 3.49Å; F381-G383 VanDerWaalsContact CZ-C 3.48Å; F381-G383 WeakPolarHBondContact CZ-O 3.36Å; F381-G383 PolarHBondContact O-N 2.89Å; G383-K395 WeakPolarHBondContact O-CE 3.34Å; G383-K395 PolarHBondContact O-NZ 2.9Å
384E80.5Confident66.1Low150 Ų15080.8 Ų80.870%0.70146%0.464SS*.SBendtrans-99.4140.6-178.1-65.7-168.5167.300113.7F381 S382F381-E384 WeakPolarHBondContact CE2-O 3.45Å; S382-E384 PolarHBondContact O-N 2.83Å
385L84.2Confident68.8Low33 Ų3380.3 Ų80.317%0.17344%0.443CS..  trans-85.3133174.5-69.8172.2000109.5L163 F381 P387 E390 K395 I405L163-L385 HydrophobicContact CD1-CD2 4.15Å; F381-L385 HydrophobicContact CE2-CD2 4.18Å; F381-L385 HydrophobicContact CZ-CD2 4.41Å; L385-P387 WeakPolarHBondContact O-CD 3.28Å; L385-E390 VanDerWaalsContact CA-OE2 3.25Å; L385-E390 WeakPolarHBondContact CA-OE2 3.4Å; L385-E390 HydrophobicContact CB-CB 4.33Å; L385-E390 HydrophobicContact CD2-CB 4.16Å; L385-E390 HydrophobicContact CD2-CG 4.47Å; L385-E390 WeakPolarHBondContact CD2-OE2 3.41Å; L385-K395 HydrophobicContact CD1-CG 3.84Å; L385-K395 HydrophobicContact CG-CG 4.37Å; L385-I405 HydrophobicContact CD1-CG2 4.28Å; L385-I405 HydrophobicContact CD2-CD1 4.21Å; L385-I405 HydrophobicContact CD2-CG2 3.97Å
386H84.5Confident71.4Confident84 Ų8473.4 Ų73.439%0.38941%0.413SS..  trans-79.4113.9179.9-169.4-90.6000110.5T388 L389 E390H386-T388 PolarHBondContact CE1-OG1 3.42Å; H386-T388 PolarHBondContact ND1-OG1 3.49Å; H386-T388 VanDerWaalsContact ND1-OG1 3.15Å; H386-T388 PolarHBondContact O-N 2.87Å; H386-L389 HydrophobicContact CB-CB 4.22Å; H386-L389 HydrophobicContact CB-CD1 4.31Å; H386-L389 PolarHBondContact O-N 3.25Å; H386-E390 PolarHBondContact N-OE2 3.27Å; H386-E390 PolarHBondContact O-N 2.99Å
387P80.9Confident73.9Confident99 Ų9968.8 Ų68.864%0.64338%0.382SS*.THydrogen-bonded Turntrans-61.7-26.6-162.622.5-34.3000114.6L385L385-P387 WeakPolarHBondContact O-CD 3.28Å
388T82.2Confident76.3Confident57 Ų5770.2 Ų70.235%0.3539%0.389SS..THydrogen-bonded Turntrans-91.5-24.1177.565.70000114.2R156 H386R156-T388 PolarHBondContact NH1-O 3.12Å; R156-T388 PolarHBondContact NH2-O 3.46Å; H386-T388 PolarHBondContact CE1-OG1 3.42Å; H386-T388 PolarHBondContact ND1-OG1 3.49Å; H386-T388 VanDerWaalsContact ND1-OG1 3.15Å; H386-T388 PolarHBondContact O-N 2.87Å
389L85.5Confident78.6Confident42 Ų4271.6 Ų71.622%0.2239%0.391CS..THydrogen-bonded Turntrans-91.7-30.6-179.6-67174.2000111.3Q100 P161 H386Q100-L389 HydrophobicContact CG-CD2 4.15Å; P161-L389 HydrophobicContact CG-CB 4.48Å; H386-L389 HydrophobicContact CB-CB 4.22Å; H386-L389 HydrophobicContact CB-CD1 4.31Å; H386-L389 PolarHBondContact O-N 3.25Å
390E89.5Confident80.7Confident7 Ų765.7 Ų65.73%0.03337%0.365CS..SBendtrans-121.737.7-170.2-59.3175.8132.100109.7S160 L385 H386 Y392 G393 F407S160-E390 WeakPolarHBondContact CB-OE1 3.36Å; S160-E390 PolarHBondContact OG-OE1 3.09Å; L385-E390 VanDerWaalsContact CA-OE2 3.25Å; L385-E390 WeakPolarHBondContact CA-OE2 3.4Å; L385-E390 HydrophobicContact CB-CB 4.33Å; L385-E390 HydrophobicContact CD2-CB 4.16Å; L385-E390 HydrophobicContact CD2-CG 4.47Å; L385-E390 WeakPolarHBondContact CD2-OE2 3.41Å; H386-E390 PolarHBondContact N-OE2 3.27Å; H386-E390 PolarHBondContact O-N 2.99Å; E390-Y392 PolarHBondContact O-N 2.9Å; E390-Y392 VanDerWaalsContact O-N 3.11Å; E390-G393 WeakPolarHBondContact O-CA 3.48Å; E390-G393 PolarHBondContact O-N 3.06Å; E390-F407 HydrophobicContact CB-CE1 4.15Å; E390-F407 HydrophobicContact CG-CE1 4.4Å
391H91Very high82.4Confident41 Ų4162.7 Ų62.719%0.1936%0.355CS..THydrogen-bonded Turntrans-50.2-34.7-178172.591.5000113.9G130 T132 Q136G130-H391 PolarHBondContact O-CE1 3.34Å; G130-H391 VanDerWaalsContact O-CE1 3.22Å; T132-H391 PolarHBondContact O-NE2 3.22Å; Q136-H391 PolarHBondContact NE2-CD2 3.03Å; Q136-H391 PolarHBondContact NE2-CE1 3.18Å; Q136-H391 PolarHBondContact NE2-ND1 2.83Å; Q136-H391 PolarHBondContact NE2-NE2 3.05Å
392Y93.4Very high83.8Confident4 Ų464.6 Ų64.62%0.01636%0.364CS..THydrogen-bonded Turntrans-90.41.5179-58.9-73.2000113.8L134 Q136 V158 E390 F407 V408 A409L134-Y392 PolarHBondContact O-OH 2.97Å; Q136-Y392 PolarHBondContact N-OH 3.13Å; V158-Y392 HydrophobicContact CB-CD2 4.43Å; V158-Y392 HydrophobicContact CG1-CD2 4.5Å; V158-Y392 HydrophobicContact CG1-CG 4.47Å; V158-Y392 HydrophobicContact CG2-CE2 4.4Å; E390-Y392 PolarHBondContact O-N 2.9Å; E390-Y392 VanDerWaalsContact O-N 3.11Å; Y392-F407 WeakPolarHBondContact O-CA 3.35Å; Y392-V408 WeakPolarHBondContact CD1-O 3.22Å; Y392-V408 PolarHBondContact O-N 3.24Å; Y392-A409 HydrophobicContact CD1-CB 3.54Å; Y392-A409 HydrophobicContact CE1-CB 3.68Å; Y392-A409 HydrophobicContact CG-CB 4.01Å
393G93.1Very high85.5Confident17 Ų1762.9 Ų62.918%0.17535%0.351CS..EExtended strand (participates in β ladder)trans-84.7131.4-174.400000113.1E390 Y406E390-G393 WeakPolarHBondContact O-CA 3.48Å; E390-G393 PolarHBondContact O-N 3.06Å; G393-Y406 CarbonylContact C-O 3.57Å; G393-Y406 WeakPolarHBondContact CA-O 3.18Å
394I92.7Very high86.6Confident26 Ų2662.2 Ų62.213%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-131.9125.9178.2-57.2173.1000107.6I193 M201 Y406I193-I394 HydrophobicContact CD1-CG2 4.04Å; I193-I394 HydrophobicContact CG1-CG2 4.28Å; I193-I394 HydrophobicContact CG2-CG2 3.81Å; M201-I394 HydrophobicContact CB-CD1 4.09Å; M201-I394 HydrophobicContact CG-CD1 3.93Å; M201-I394 HydrophobicContact SD-CD1 3.37Å; M201-I394 WeakPolarHBondContact SD-CD1 3.38Å; I394-Y406 PolarHBondContact N-O 2.93Å; I394-Y406 PolarHBondContact O-N 3.24Å
395K91.9Very high87.2Confident90 Ų9055.3 Ų55.339%0.39131%0.306SS..EExtended strand (participates in β ladder)trans-77.1151.8174.5-56.2-175.8-166.5176.40110.4G383 L385G383-K395 WeakPolarHBondContact O-CE 3.34Å; G383-K395 PolarHBondContact O-NZ 2.9Å; L385-K395 HydrophobicContact CD1-CG 3.84Å; L385-K395 HydrophobicContact CG-CG 4.37Å
396S90.1Very high87.5Confident20 Ų2053.8 Ų53.814%0.1430%0.298CS..PPolyproline II helixtrans-61.6163.4167.963.50000112.2H192 P403 L404H192-S396 CarbonylContact O-C 3.58Å; H192-S396 WeakPolarHBondContact O-CA 3.34Å; H192-S396 WeakPolarHBondContact O-CB 3.29Å; S396-P403 WeakPolarHBondContact OG-CA 3.31Å; S396-L404 WeakPolarHBondContact CB-O 3.36Å; S396-L404 PolarHBondContact N-O 3.2Å; S396-L404 PolarHBondContact OG-N 3.02Å; S396-L404 PolarHBondContact OG-O 2.82Å
397S88.9Confident88Confident29 Ų2949.8 Ų49.820%0.20328%0.28CS..PPolyproline II helixtrans-57.8155.1166.9-162.90000111.1H192 D399 S400H192-S397 PolarHBondContact O-N 2.99Å; S397-D399 PolarHBondContact O-N 3.46Å; S397-D399 PolarHBondContact OG-OD2 2.89Å; S397-S400 WeakPolarHBondContact O-CB 3.44Å; S397-S400 PolarHBondContact O-N 3.11Å
398I84.9Confident88.6Confident163 Ų16345.2 Ų45.284%0.83625%0.25SC*.THydrogen-bonded Turntrans-65.8-25.8172.3-164.6166.7000112S400I398-S400 VanDerWaalsContact C-N 3.28Å; I398-S400 PolarHBondContact O-N 2.83Å
399D83.7Confident89.1Confident137 Ų13742.5 Ų42.573%0.73323%0.233SC*.THydrogen-bonded Turntrans-83.80.2176.5-42-73.3000113.1S397S397-D399 PolarHBondContact O-N 3.46Å; S397-D399 PolarHBondContact OG-OD2 2.89Å
400S83.1Confident89.6Confident16 Ų1640.5 Ų40.511%0.11222%0.223CC..  trans-66.1131.9177.4-173.70000110S397 I398 H402S397-S400 WeakPolarHBondContact O-CB 3.44Å; S397-S400 PolarHBondContact O-N 3.11Å; I398-S400 VanDerWaalsContact C-N 3.28Å; I398-S400 PolarHBondContact O-N 2.83Å; S400-H402 WeakPolarHBondContact CB-O 3.44Å; S400-H402 PolarHBondContact O-N 3.09Å; S400-H402 PolarHBondContact OG-O 3.36Å
401P79.4Confident89.7Confident96 Ų9641.1 Ų41.162%0.62323%0.226SC*.SBendtrans-63.6-23.6179.526.6-35.2000112.9
402H82.6Confident89.6Confident105 Ų10541.3 Ų41.349%0.48623%0.228SC..SBendtrans-128.4126.3172.2-61.4-70.9000109.1S400 L404S400-H402 WeakPolarHBondContact CB-O 3.44Å; S400-H402 PolarHBondContact O-N 3.09Å; S400-H402 PolarHBondContact OG-O 3.36Å; H402-L404 HydrophobicContact CB-CG 4.5Å; H402-L404 PolarHBondContact O-N 3.08Å
403P86.9Confident89.6Confident67 Ų6741.2 Ų41.244%0.43523%0.228SC..  trans-74.1112.2177.829.2-32.5000109.8P229 S396P229-P403 WeakPolarHBondContact CD-O 3.44Å; S396-P403 WeakPolarHBondContact OG-CA 3.31Å
404L90.4Very high89.4Confident23 Ų2340.9 Ų40.912%0.1222%0.222CC..  trans-121.1157.2-176.9-66.4178.6000111.6V226 D228 S396 H402 Y406V226-L404 HydrophobicContact CG1-CB 4.42Å; V226-L404 HydrophobicContact CG1-CD1 4.13Å; V226-L404 HydrophobicContact CG1-CD2 4.22Å; D228-L404 HydrophobicContact CB-CD2 3.85Å; S396-L404 WeakPolarHBondContact CB-O 3.36Å; S396-L404 PolarHBondContact N-O 3.2Å; S396-L404 PolarHBondContact OG-N 3.02Å; S396-L404 PolarHBondContact OG-O 2.82Å; H402-L404 HydrophobicContact CB-CG 4.5Å; H402-L404 PolarHBondContact O-N 3.08Å; L404-Y406 HydrophobicContact CB-CE1 4.23Å; L404-Y406 HydrophobicContact CB-CE2 4.3Å; L404-Y406 HydrophobicContact CD1-CE1 4.28Å
405I91.6Very high89Confident6 Ų642 Ų423%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-122.3117.1174.3-60.4179.1000108.6L163 H227 F381 L385 F407L163-I405 HydrophobicContact CD1-CD1 3.9Å; L163-I405 HydrophobicContact CD1-CG2 4.29Å; H227-I405 HydrophobicContact CB-CB 4.18Å; H227-I405 PolarHBondContact N-O 3.14Å; H227-I405 PolarHBondContact O-N 2.88Å; F381-I405 HydrophobicContact CE1-CD1 3.65Å; F381-I405 HydrophobicContact CE2-CD1 4.07Å; F381-I405 HydrophobicContact CZ-CD1 3.36Å; L385-I405 HydrophobicContact CD1-CG2 4.28Å; L385-I405 HydrophobicContact CD2-CD1 4.21Å; L385-I405 HydrophobicContact CD2-CG2 3.97Å; I405-F407 HydrophobicContact CG2-CD2 4.38Å; I405-F407 HydrophobicContact CG2-CE2 3.68Å; I405-F407 HydrophobicContact CG2-CZ 3.96Å
406Y92.1Very high88.5Confident1 Ų143.6 Ų43.60%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-98133.1-178.7-50.7-77.7000110M191 H192 I193 G225 V226 G393 I394 L404M191-Y406 HydrophobicContact CB-CE1 4.28Å; M191-Y406 HydrophobicContact CE-CD1 3.96Å; M191-Y406 HydrophobicContact CE-CD2 4.38Å; M191-Y406 HydrophobicContact CE-CG 3.81Å; M191-Y406 HydrophobicContact CG-CD1 4.08Å; M191-Y406 HydrophobicContact CG-CE1 3.9Å; H192-Y406 PolarHBondContact N-OH 2.82Å; I193-Y406 HydrophobicContact CD1-CD2 4.01Å; I193-Y406 HydrophobicContact CD1-CE2 4.42Å; I193-Y406 HydrophobicContact CG1-CD2 3.89Å; I193-Y406 HydrophobicContact CG1-CE2 3.89Å; G225-Y406 CarbonylContact O-C 3.6Å; G225-Y406 WeakPolarHBondContact O-CA 3.31Å; V226-Y406 HydrophobicContact CG1-CD1 4.39Å; V226-Y406 HydrophobicContact CG1-CE1 4.37Å; V226-Y406 HydrophobicContact CG2-CD1 4.22Å; G393-Y406 CarbonylContact C-O 3.57Å; G393-Y406 WeakPolarHBondContact CA-O 3.18Å; I394-Y406 PolarHBondContact N-O 2.93Å; I394-Y406 PolarHBondContact O-N 3.24Å; L404-Y406 HydrophobicContact CB-CE1 4.23Å; L404-Y406 HydrophobicContact CB-CE2 4.3Å; L404-Y406 HydrophobicContact CD1-CE1 4.28Å
407F93.4Very high87.9Confident0 Ų043.8 Ų43.80%023%0.232CC..EExtended strand (participates in β ladder)trans-110112171.7-72-85.2000108.9V158 F159 S160 L163 I165 I224 G225 H227 E390 Y392 I405V158-F407 WeakPolarHBondContact O-CD1 3.25Å; F159-F407 HydrophobicContact CD1-CB 3.82Å; F159-F407 HydrophobicContact CD1-CG 4.31Å; F159-F407 HydrophobicContact CE1-CB 4.3Å; S160-F407 VanDerWaalsContact CB-CZ 3.47Å; L163-F407 HydrophobicContact CD1-CE2 4.28Å; L163-F407 HydrophobicContact CD1-CZ 4.07Å; I165-F407 HydrophobicContact CD1-CD2 3.51Å; I165-F407 HydrophobicContact CD1-CE2 3.83Å; I165-F407 HydrophobicContact CD1-CG 4.37Å; I224-F407 CarbonylContact C-O 3.57Å; I224-F407 VanDerWaalsContact CA-O 3.31Å; I224-F407 WeakPolarHBondContact CA-O 3.5Å; G225-F407 PolarHBondContact N-O 3.05Å; G225-F407 PolarHBondContact O-N 3.23Å; H227-F407 HydrophobicContact CB-CE2 4.31Å; E390-F407 HydrophobicContact CB-CE1 4.15Å; E390-F407 HydrophobicContact CG-CE1 4.4Å; Y392-F407 WeakPolarHBondContact O-CA 3.35Å; I405-F407 HydrophobicContact CG2-CD2 4.38Å; I405-F407 HydrophobicContact CG2-CE2 3.68Å; I405-F407 HydrophobicContact CG2-CZ 3.96Å
408V93.4Very high87Confident2 Ų243.6 Ų43.61%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-121.2122.1-171-176.60000110.3M191 M201 L222 L223 I224 Y392M191-V408 HydrophobicContact CE-CG2 3.82Å; M201-V408 HydrophobicContact SD-CB 4.28Å; M201-V408 HydrophobicContact SD-CG1 4.12Å; M201-V408 HydrophobicContact SD-CG2 4.16Å; L222-V408 HydrophobicContact CD1-CG1 3.85Å; L222-V408 HydrophobicContact CD2-CG1 3.86Å; L222-V408 HydrophobicContact CG-CG1 3.98Å; L223-V408 WeakPolarHBondContact O-CA 3.4Å; I224-V408 HydrophobicContact CG1-CG2 4.47Å; I224-V408 HydrophobicContact CG2-CG2 4.47Å; Y392-V408 WeakPolarHBondContact CD1-O 3.22Å; Y392-V408 PolarHBondContact O-N 3.24Å
409A94.7Very high85.7Confident0 Ų042.5 Ų42.50%023%0.228CC..EExtended strand (participates in β ladder)trans-150.9151.2175.700000112.8L133 V158 L223 Y392L133-A409 WeakPolarHBondContact O-CA 3.39Å; V158-A409 HydrophobicContact CB-CB 4.15Å; V158-A409 HydrophobicContact CG1-CB 3.51Å; V158-A409 HydrophobicContact CG2-CB 3.54Å; L223-A409 PolarHBondContact N-O 3.3Å; L223-A409 PolarHBondContact O-N 3.32Å; Y392-A409 HydrophobicContact CD1-CB 3.54Å; Y392-A409 HydrophobicContact CE1-CB 3.68Å; Y392-A409 HydrophobicContact CG-CB 4.01Å
410I94.3Very high84.8Confident0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-81.2134.9170.6-54.1170000108.7L133 L134 P135 L205 D208 L212 Y220 S221 L222 I413L133-I410 HydrophobicContact CB-CD1 4.45Å; L133-I410 HydrophobicContact CB-CG1 4.27Å; L133-I410 PolarHBondContact O-N 2.7Å; L134-I410 HydrophobicContact CD2-CB 4.41Å; L134-I410 HydrophobicContact CD2-CD1 3.95Å; P135-I410 VanDerWaalsContact CD-O 3.23Å; P135-I410 WeakPolarHBondContact CD-O 3.48Å; P135-I410 VanDerWaalsContact CG-O 3.28Å; P135-I410 WeakPolarHBondContact CG-O 3.22Å; L205-I410 HydrophobicContact CD1-CD1 3.88Å; L205-I410 HydrophobicContact CD1-CG1 4.22Å; D208-I410 HydrophobicContact CB-CD1 3.7Å; L212-I410 HydrophobicContact CD1-CD1 4.14Å; L212-I410 HydrophobicContact CD1-CG2 4.1Å; Y220-I410 HydrophobicContact CD2-CG2 4.02Å; Y220-I410 HydrophobicContact CG-CG2 4.26Å; S221-I410 CarbonylContact O-C 3.59Å; S221-I410 WeakPolarHBondContact O-CA 3.31Å; L222-I410 HydrophobicContact CD1-CG1 3.92Å; I410-I413 HydrophobicContact CG2-CG2 3.59Å
411I92.3Very high83.9Confident20 Ų2045.2 Ų45.210%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-128.3161.7-179.861.2161.4000112.6V158 Y220 S221 L223 I413V158-I411 HydrophobicContact CG2-CG2 4.44Å; Y220-I411 VanDerWaalsContact CA-O 3.3Å; Y220-I411 WeakPolarHBondContact CA-O 3.44Å; Y220-I411 WeakPolarHBondContact CB-O 3.35Å; S221-I411 PolarHBondContact N-O 2.7Å; S221-I411 WeakPolarHBondContact O-CG1 3.33Å; S221-I411 PolarHBondContact O-N 3.49Å; L223-I411 HydrophobicContact CB-CD1 4.01Å; L223-I411 HydrophobicContact CB-CG1 4.11Å; L223-I411 HydrophobicContact CB-CG2 3.84Å; L223-I411 HydrophobicContact CD2-CD1 4.47Å; L223-I411 HydrophobicContact CD2-CG2 3.98Å; I411-I413 PolarHBondContact O-N 3.37Å
412D88.7Confident83.1Confident45 Ų4547 Ų4724%0.24122%0.22CC..  trans58.638.5177.3-70.7-30.6000115.6K104 L414K104-D412 IonicContact NZ-OD1 3.7Å; K104-D412 PolarHBondContact NZ-OD1 2.94Å; D412-L414 VanDerWaalsContact C-N 3.26Å; D412-L414 PolarHBondContact O-N 3.08Å
413I92.7Very high82.3Confident2 Ų246.5 Ų46.51%0.0123%0.225CC..THydrogen-bonded Turntrans-71.1-5.6-176.367.6165.2000116.1M117 L134 P135 F137 L212 L217 I410 I411 T415M117-I413 HydrophobicContact CE-CD1 3.9Å; M117-I413 HydrophobicContact CE-CG1 4.34Å; L134-I413 HydrophobicContact CD2-CD1 4.27Å; L134-I413 HydrophobicContact CD2-CG2 4.25Å; P135-I413 HydrophobicContact CG-CD1 4.45Å; P135-I413 HydrophobicContact CG-CG1 4.36Å; F137-I413 HydrophobicContact CE2-CD1 3.92Å; F137-I413 HydrophobicContact CE2-CG1 4.49Å; F137-I413 HydrophobicContact CZ-CD1 3.87Å; F137-I413 HydrophobicContact CZ-CG1 3.98Å; L212-I413 HydrophobicContact CD1-CG2 4.31Å; L212-I413 HydrophobicContact CD2-CB 3.78Å; L212-I413 HydrophobicContact CD2-CD1 4.24Å; L212-I413 HydrophobicContact CD2-CG2 3.81Å; L217-I413 WeakPolarHBondContact CD1-O 3.48Å; L217-I413 WeakPolarHBondContact CD2-O 3.31Å; I410-I413 HydrophobicContact CG2-CG2 3.59Å; I411-I413 PolarHBondContact O-N 3.37Å; I413-T415 PolarHBondContact O-N 2.96Å
414L89.4Confident81.1Confident10 Ų1045.3 Ų45.35%0.05222%0.22CC..THydrogen-bonded Turntrans-81.410.9-173.1-62.2178.4000114.8I106 E110 Q113 M114 M117 L153 D412 R416I106-L414 HydrophobicContact CD1-CD1 4.43Å; E110-L414 HydrophobicContact CB-CB 4.23Å; E110-L414 HydrophobicContact CB-CD1 3.94Å; E110-L414 HydrophobicContact CG-CB 3.92Å; E110-L414 HydrophobicContact CG-CD1 4.29Å; Q113-L414 WeakPolarHBondContact CG-O 3.2Å; M114-L414 HydrophobicContact CB-CD2 4.19Å; M114-L414 HydrophobicContact SD-CD2 3.93Å; M117-L414 HydrophobicContact CE-CD2 3.43Å; M117-L414 VanDerWaalsContact CE-CD2 3.43Å; M117-L414 HydrophobicContact SD-CD2 3.96Å; L153-L414 HydrophobicContact CD2-CD1 3.71Å; D412-L414 VanDerWaalsContact C-N 3.26Å; D412-L414 PolarHBondContact O-N 3.08Å; L414-R416 PolarHBondContact O-N 2.83Å
415T84.9Confident79.7Confident50 Ų5046.7 Ų46.731%0.30723%0.226SC..  trans-97.992.7-175.8-420000112.3I218 I413 K421I218-T415 PolarHBondContact N-O 2.7Å; I218-T415 WeakPolarHBondContact O-CB 3.4Å; I413-T415 PolarHBondContact O-N 2.96Å; T415-K421 VanDerWaalsContact CG2-CE 3.49Å
416R82Confident78.3Confident124 Ų12450.7 Ų50.747%0.46825%0.251SS..BIsolated β-bridgetrans-62.7147.5178.3-152.7-168.5-180175.1-5.1113.4Q113 L414 G418Q113-R416 HydrophobicContact CG-CB 4.44Å; Q113-R416 VanDerWaalsContact OE1-CB 3.27Å; L414-R416 PolarHBondContact O-N 2.83Å; R416-G418 PolarHBondContact O-N 3.39Å
417Y76.8Confident77Confident24 Ų2457.4 Ų57.49%0.09428%0.277CS..  trans-74.964167-164.4-117.2000112.4N216 I218 K421 R422 Q425 P441N216-Y417 WeakPolarHBondContact O-CB 3.47Å; N216-Y417 PolarHBondContact O-N 2.88Å; I218-Y417 HydrophobicContact CD1-CD2 3.64Å; I218-Y417 HydrophobicContact CD1-CE2 4.24Å; I218-Y417 HydrophobicContact CG1-CD2 4.2Å; Y417-K421 HydrophobicContact CD2-CB 3.83Å; Y417-K421 HydrophobicContact CD2-CD 4.32Å; Y417-K421 HydrophobicContact CE2-CB 3.83Å; Y417-R422 HydrophobicContact CD1-CG 4.24Å; Y417-R422 HydrophobicContact CE1-CG 3.57Å; Y417-Q425 VanDerWaalsContact OH-CD 3.3Å; Y417-Q425 PolarHBondContact OH-OE1 2.76Å; Y417-P441 HydrophobicContact CD1-CG 4.45Å; Y417-P441 HydrophobicContact CG-CG 4.31Å
418G69.1Low75.5Confident25 Ų2562.1 Ų62.126%0.25830%0.298SS..  trans-77.2179.9-178.300000115R416 R420 K421 R422R416-G418 PolarHBondContact O-N 3.39Å; G418-R420 VanDerWaalsContact C-N 3.29Å; G418-R420 PolarHBondContact O-N 3.11Å; G418-K421 PolarHBondContact O-N 2.91Å; G418-K421 VanDerWaalsContact O-N 3.09Å; G418-R422 PolarHBondContact O-N 3.15Å; G418-R422 VanDerWaalsContact O-N 3.07Å
419M59.4Low74Confident140 Ų14064.8 Ų64.869%0.6931%0.314SS*.Hα-helixtrans-55.3-41.7176.8-68.4177.881.600112.3K421 R422 T423M419-K421 PolarHBondContact O-N 3.03Å; M419-R422 VanDerWaalsContact CG-NH2 3.34Å; M419-R422 PolarHBondContact O-N 2.82Å; M419-R422 VanDerWaalsContact O-N 3.09Å; M419-T423 PolarHBondContact O-N 3.33Å; M419-T423 PolarHBondContact O-OG1 2.99Å; M419-T423 VanDerWaalsContact O-OG1 3.12Å
420R64Low72.8Confident176 Ų17670.4 Ų70.466%0.66435%0.348SS*.Hα-helixtrans-52.4-42.4176.3-60.9-176.5-172.2161.33.3112.4E109 G418 A424E109-R420 IonicContact OE1-CZ 3.74Å; E109-R420 IonicContact OE1-NH1 2.76Å; E109-R420 PolarHBondContact OE1-NH1 2.73Å; E109-R420 IonicContact OE1-NH2 3.95Å; E109-R420 PolarHBondContact OE1-NH2 3.45Å; E109-R420 IonicContact OE2-CZ 2.76Å; E109-R420 IonicContact OE2-NH1 2.7Å; E109-R420 PolarHBondContact OE2-NH1 2.73Å; E109-R420 IonicContact OE2-NH2 3.2Å; G418-R420 VanDerWaalsContact C-N 3.29Å; G418-R420 PolarHBondContact O-N 3.11Å; R420-A424 WeakPolarHBondContact O-CB 3.37Å; R420-A424 PolarHBondContact O-N 3.44Å
421K64.1Low71.3Confident34 Ų3476.4 Ų76.415%0.14837%0.374CS..Hα-helixtrans-76.3-36.7178.2-66.7-157176.2-175.80112.8I218 D219 T415 Y417 G418 M419 A424 Q425 S438I218-K421 HydrophobicContact CD1-CD 3.66Å; I218-K421 HydrophobicContact CG1-CD 4.1Å; D219-K421 IonicContact OD1-NZ 3.36Å; D219-K421 PolarHBondContact OD1-NZ 2.89Å; D219-K421 IonicContact OD2-NZ 2.63Å; D219-K421 PolarHBondContact OD2-NZ 3.41Å; T415-K421 VanDerWaalsContact CG2-CE 3.49Å; Y417-K421 HydrophobicContact CD2-CB 3.83Å; Y417-K421 HydrophobicContact CD2-CD 4.32Å; Y417-K421 HydrophobicContact CE2-CB 3.83Å; G418-K421 PolarHBondContact O-N 2.91Å; G418-K421 VanDerWaalsContact O-N 3.09Å; M419-K421 PolarHBondContact O-N 3.03Å; K421-A424 CarbonylContact O-C 3.46Å; K421-A424 PolarHBondContact O-N 3.04Å; K421-Q425 PolarHBondContact O-N 2.8Å; K421-S438 PolarHBondContact O-OG 3.08Å
422R62.8Low69.7Low133 Ų13382.1 Ų82.150%0.50240%0.401SS..Hα-helixtrans-59.9-45.7170.7-71.7-174.2-80.8168.4-5.6111.8Y417 G418 M419 A424 Q425 T426Y417-R422 HydrophobicContact CD1-CG 4.24Å; Y417-R422 HydrophobicContact CE1-CG 3.57Å; G418-R422 PolarHBondContact O-N 3.15Å; G418-R422 VanDerWaalsContact O-N 3.07Å; M419-R422 VanDerWaalsContact CG-NH2 3.34Å; M419-R422 PolarHBondContact O-N 2.82Å; M419-R422 VanDerWaalsContact O-N 3.09Å; R422-A424 PolarHBondContact O-N 2.85Å; R422-Q425 WeakPolarHBondContact O-CA 3.23Å; R422-Q425 WeakPolarHBondContact O-CB 3.36Å; R422-Q425 PolarHBondContact O-N 2.56Å; R422-Q425 VanDerWaalsContact O-N 3.13Å; R422-T426 PolarHBondContact O-N 2.92Å; R422-T426 PolarHBondContact O-OG1 3.09Å; R422-T426 VanDerWaalsContact O-OG1 3.13Å
423T64.8Low68Low95 Ų9581.8 Ų81.858%0.58341%0.408SS*.Hα-helixtrans-63.2-40.2174.7-53.80000111.8M419 Q425 T426 Y427M419-T423 PolarHBondContact O-N 3.33Å; M419-T423 PolarHBondContact O-OG1 2.99Å; M419-T423 VanDerWaalsContact O-OG1 3.12Å; T423-Q425 VanDerWaalsContact C-N 3.32Å; T423-Q425 PolarHBondContact O-N 2.83Å; T423-T426 PolarHBondContact O-N 3.25Å; T423-Y427 WeakPolarHBondContact O-CB 3.49Å; T423-Y427 PolarHBondContact O-N 3.01Å
424A63.2Low66.2Low41 Ų4185.3 Ų85.334%0.33944%0.437SS..Hα-helixtrans-64.3-34.1172.800000112.7R420 K421 R422 K428R420-A424 WeakPolarHBondContact O-CB 3.37Å; R420-A424 PolarHBondContact O-N 3.44Å; K421-A424 CarbonylContact O-C 3.46Å; K421-A424 PolarHBondContact O-N 3.04Å; R422-A424 PolarHBondContact O-N 2.85Å; A424-K428 WeakPolarHBondContact O-CB 3.46Å; A424-K428 VanDerWaalsContact O-CG 3.32Å; A424-K428 WeakPolarHBondContact O-CG 3.21Å; A424-K428 PolarHBondContact O-N 3.31Å
425Q59.8Low64.3Low53 Ų5391.9 Ų91.925%0.24847%0.472CS..Hα-helixtrans-60-58.4170.5-160.1-177.625.600109.8Y417 K421 R422 T423 Y427 K428 T429 S438Y417-Q425 VanDerWaalsContact OH-CD 3.3Å; Y417-Q425 PolarHBondContact OH-OE1 2.76Å; K421-Q425 PolarHBondContact O-N 2.8Å; R422-Q425 WeakPolarHBondContact O-CA 3.23Å; R422-Q425 WeakPolarHBondContact O-CB 3.36Å; R422-Q425 PolarHBondContact O-N 2.56Å; R422-Q425 VanDerWaalsContact O-N 3.13Å; T423-Q425 VanDerWaalsContact C-N 3.32Å; T423-Q425 PolarHBondContact O-N 2.83Å; Q425-Y427 VanDerWaalsContact C-N 3.31Å; Q425-Y427 PolarHBondContact O-N 3Å; Q425-K428 PolarHBondContact O-N 2.82Å; Q425-K428 VanDerWaalsContact O-N 3.12Å; Q425-T429 WeakPolarHBondContact O-CB 3.38Å; Q425-T429 PolarHBondContact O-N 2.94Å; Q425-T429 PolarHBondContact O-OG1 3.2Å; Q425-T429 VanDerWaalsContact O-OG1 3.11Å; Q425-S438 WeakPolarHBondContact CA-OG 3.46Å; Q425-S438 WeakPolarHBondContact CB-OG 3.2Å; Q425-S438 WeakPolarHBondContact CG-O 3.24Å; Q425-S438 PolarHBondContact NE2-O 3.41Å
426T63.3Low62.5Low90 Ų9091.2 Ų91.255%0.55248%0.475SS*.Hα-helixtrans-55-46.5-178.6-50.60000111.3R422 T423 K428 T429 V430R422-T426 PolarHBondContact O-N 2.92Å; R422-T426 PolarHBondContact O-OG1 3.09Å; R422-T426 VanDerWaalsContact O-OG1 3.13Å; T423-T426 PolarHBondContact O-N 3.25Å; T426-K428 PolarHBondContact O-N 2.69Å; T426-T429 PolarHBondContact O-N 3.17Å; T426-V430 HydrophobicContact CG2-CG2 4.48Å; T426-V430 WeakPolarHBondContact O-CB 3.35Å; T426-V430 WeakPolarHBondContact O-CG2 3.34Å; T426-V430 PolarHBondContact O-N 3.22Å
427Y64.5Low60.7Low142 Ų14286 Ų8656%0.55746%0.46SS*.Hα-helixtrans-62.2-43.5178.2-175.4-96.9000113T423 Q425 K431T423-Y427 WeakPolarHBondContact O-CB 3.49Å; T423-Y427 PolarHBondContact O-N 3.01Å; Q425-Y427 VanDerWaalsContact C-N 3.31Å; Q425-Y427 PolarHBondContact O-N 3Å; Y427-K431 HydrophobicContact CD1-CD 4.37Å; Y427-K431 HydrophobicContact CE1-CD 3.71Å; Y427-K431 HydrophobicContact CE2-CD 4.47Å; Y427-K431 WeakPolarHBondContact O-CB 3.17Å; Y427-K431 PolarHBondContact O-N 3.13Å; Y427-K431 VanDerWaalsContact O-N 3.08Å; Y427-K431 VanDerWaalsContact OH-CE 3.29Å; Y427-K431 WeakPolarHBondContact OH-CE 3.25Å; Y427-K431 PolarHBondContact OH-NZ 3.49Å
428K61.1Low59.6Low98 Ų9886 Ų8643%0.42646%0.464SS..Hα-helixtrans-68.4-43.1177.7-76-175.6178.6-172.30112A424 Q425 T426 V430 K431 H432 G436A424-K428 WeakPolarHBondContact O-CB 3.46Å; A424-K428 VanDerWaalsContact O-CG 3.32Å; A424-K428 WeakPolarHBondContact O-CG 3.21Å; A424-K428 PolarHBondContact O-N 3.31Å; Q425-K428 PolarHBondContact O-N 2.82Å; Q425-K428 VanDerWaalsContact O-N 3.12Å; T426-K428 PolarHBondContact O-N 2.69Å; K428-V430 VanDerWaalsContact C-N 3.33Å; K428-V430 PolarHBondContact O-N 3.18Å; K428-K431 PolarHBondContact O-N 2.82Å; K428-K431 VanDerWaalsContact O-N 3.16Å; K428-H432 PolarHBondContact O-N 3.11Å; K428-G436 WeakPolarHBondContact CD-O 3.39Å
429T61.5Low59.4Low58 Ų5886 Ų8636%0.35646%0.458SS..Hα-helixtrans-62.1-39.6176.8-61.50000111.9Q425 T426 G433Q425-T429 WeakPolarHBondContact O-CB 3.38Å; Q425-T429 PolarHBondContact O-N 2.94Å; Q425-T429 PolarHBondContact O-OG1 3.2Å; Q425-T429 VanDerWaalsContact O-OG1 3.11Å; T426-T429 PolarHBondContact O-N 3.17Å; T429-G433 WeakPolarHBondContact CA-O 3.29Å; T429-G433 WeakPolarHBondContact O-CA 3.31Å; T429-G433 PolarHBondContact O-N 3.47Å
430V69.4Low60.1Low119 Ų11984.4 Ų84.472%0.72145%0.448SS*.Hα-helixtrans-67.1-34.3174.11680000112.3T426 K428T426-V430 HydrophobicContact CG2-CG2 4.48Å; T426-V430 WeakPolarHBondContact O-CB 3.35Å; T426-V430 WeakPolarHBondContact O-CG2 3.34Å; T426-V430 PolarHBondContact O-N 3.22Å; K428-V430 VanDerWaalsContact C-N 3.33Å; K428-V430 PolarHBondContact O-N 3.18Å
431K64.5Low60.8Low125 Ų12576.1 Ų76.154%0.54342%0.417SS..Hα-helixtrans-87.4-33-177.7-82.6-163.2163.9-172.10116.1Y427 K428Y427-K431 HydrophobicContact CD1-CD 4.37Å; Y427-K431 HydrophobicContact CE1-CD 3.71Å; Y427-K431 HydrophobicContact CE2-CD 4.47Å; Y427-K431 WeakPolarHBondContact O-CB 3.17Å; Y427-K431 PolarHBondContact O-N 3.13Å; Y427-K431 VanDerWaalsContact O-N 3.08Å; Y427-K431 VanDerWaalsContact OH-CE 3.29Å; Y427-K431 WeakPolarHBondContact OH-CE 3.25Å; Y427-K431 PolarHBondContact OH-NZ 3.49Å; K428-K431 PolarHBondContact O-N 2.82Å; K428-K431 VanDerWaalsContact O-N 3.16Å
432H58Low61.6Low141 Ų14178.1 Ų78.165%0.65343%0.426SS*.Hα-helixtrans-129.510.5-167.8-55.193.1000113.6K428K428-H432 PolarHBondContact O-N 3.11Å
433G53Low62.5Low38 Ų3876.6 Ų76.639%0.39242%0.424SS..  trans73.3-178.7-169.400000112.6T429 D435T429-G433 WeakPolarHBondContact CA-O 3.29Å; T429-G433 WeakPolarHBondContact O-CA 3.31Å; T429-G433 PolarHBondContact O-N 3.47Å; G433-D435 PolarHBondContact O-N 3.23Å
434A54.4Low63.5Low75 Ų7572.8 Ų72.862%0.6240%0.399SS*.G310 helixtrans-62.8-28.2-171.100000114.1G436A434-G436 VanDerWaalsContact C-N 3.34Å; A434-G436 PolarHBondContact O-N 2.94Å
435D49.7Very low64.5Low149 Ų14970.8 Ų70.880%0.79738%0.383SS*.G310 helixtrans-80.3-10.4-161-54.9-43000114.9G433G433-D435 PolarHBondContact O-N 3.23Å
436G46.9Very low65.8Low36 Ų3673.9 Ų73.937%0.37139%0.392SS..G310 helixtrans-105.70.1179.300000116.1K428 A434K428-G436 WeakPolarHBondContact CD-O 3.39Å; A434-G436 VanDerWaalsContact C-N 3.34Å; A434-G436 PolarHBondContact O-N 2.94Å
437G45.2Very low66.8Low15 Ų1574.1 Ų74.116%0.15538%0.383CS..SBendtrans-71.3159.3-173.900000114.5V439G437-V439 PolarHBondContact O-N 3.41Å
438S53.6Low67.9Low23 Ų2367.3 Ų67.316%0.16136%0.356CS..PPolyproline II helixtrans-61.6124.1167.750.30000109.5K421 Q425K421-S438 PolarHBondContact O-OG 3.08Å; Q425-S438 WeakPolarHBondContact CA-OG 3.46Å; Q425-S438 WeakPolarHBondContact CB-OG 3.2Å; Q425-S438 WeakPolarHBondContact CG-O 3.24Å; Q425-S438 PolarHBondContact NE2-O 3.41Å
439V63.5Low69.2Low25 Ų2564.2 Ų64.215%0.15234%0.344CS..PPolyproline II helixtrans-72.1136.3-173.3-175.60000109G437 F443 Y444G437-V439 PolarHBondContact O-N 3.41Å; V439-F443 HydrophobicContact CG1-CB 3.25Å; V439-F443 HydrophobicContact CG1-CG 4.48Å; V439-Y444 HydrophobicContact CB-CD2 4.47Å
440K74.9Confident70.4Confident106 Ų10666 Ų6646%0.46135%0.348SS..PPolyproline II helixtrans-61.9153174-56.5-176.7176.9-177.80109.9E442 F443 Y444K440-E442 WeakPolarHBondContact CB-OE2 3.33Å; K440-E442 PolarHBondContact O-N 3.34Å; K440-E442 VanDerWaalsContact O-N 3.08Å; K440-F443 HydrophobicContact CB-CD2 4.23Å; K440-F443 PolarHBondContact O-N 3.48Å; K440-Y444 PolarHBondContact O-N 3.14Å
441P79.4Confident71.1Confident2 Ų262 Ų621%0.01332%0.321CS..Hα-helixtrans-50.3-40.6-175-25.332.4000114.3Q213 I218 Y417 F443 Y444 G445Q213-P441 HydrophobicContact CG-CB 4.48Å; I218-P441 HydrophobicContact CG2-CB 3.83Å; I218-P441 HydrophobicContact CG2-CG 3.78Å; Y417-P441 HydrophobicContact CD1-CG 4.45Å; Y417-P441 HydrophobicContact CG-CG 4.31Å; P441-F443 VanDerWaalsContact C-N 3.28Å; P441-F443 PolarHBondContact O-N 3.11Å; P441-Y444 PolarHBondContact O-N 3.2Å; P441-G445 PolarHBondContact O-N 2.69Å
442E79.7Confident72.2Confident76 Ų7656.3 Ų56.336%0.35530%0.297SS..Hα-helixtrans-69.4-24.8-175.8-40.877.9-170.400113K440 R446K440-E442 WeakPolarHBondContact CB-OE2 3.33Å; K440-E442 PolarHBondContact O-N 3.34Å; K440-E442 VanDerWaalsContact O-N 3.08Å; E442-R446 PolarHBondContact O-NE 3.36Å; E442-R446 PolarHBondContact O-NH2 3.42Å
443F83.2Confident73.5Confident102 Ų10255 Ų5545%0.44729%0.291SS..Hα-helixtrans-92.4-28.6173.7-70-90.9000111.6V439 K440 P441 R446 R447V439-F443 HydrophobicContact CG1-CB 3.25Å; V439-F443 HydrophobicContact CG1-CG 4.48Å; K440-F443 HydrophobicContact CB-CD2 4.23Å; K440-F443 PolarHBondContact O-N 3.48Å; P441-F443 VanDerWaalsContact C-N 3.28Å; P441-F443 PolarHBondContact O-N 3.11Å; F443-R446 VanDerWaalsContact CD1-NH2 3.31Å; F443-R447 VanDerWaalsContact O-CG 3.31Å; F443-R447 WeakPolarHBondContact O-CG 3.25Å; F443-R447 PolarHBondContact O-N 3.15Å
444Y84.1Confident75Confident14 Ų1459.6 Ų59.66%0.05530%0.302CS..Hα-helixtrans-66.6-44.6178.4-172.9-90.3000111.2S173 I218 D219 Y220 V439 K440 P441 L448S173-Y444 WeakPolarHBondContact OG-CD2 3.39Å; S173-Y444 WeakPolarHBondContact OG-CE1 3.46Å; S173-Y444 VanDerWaalsContact OG-CE2 3.23Å; S173-Y444 WeakPolarHBondContact OG-CE2 3.49Å; S173-Y444 VanDerWaalsContact OG-CZ 3.24Å; S173-Y444 PolarHBondContact OG-O 3.2Å; I218-Y444 HydrophobicContact CB-CD1 4.42Å; I218-Y444 HydrophobicContact CB-CG 4.35Å; I218-Y444 HydrophobicContact CG2-CG 4.38Å; D219-Y444 WeakPolarHBondContact CA-OH 3.45Å; Y220-Y444 HydrophobicContact CD1-CD1 4.31Å; Y220-Y444 HydrophobicContact CD1-CE1 4.1Å; Y220-Y444 HydrophobicContact CD2-CD1 4.4Å; Y220-Y444 AromaticContact CD2-CE1 3.85Å; Y220-Y444 HydrophobicContact CD2-CE1 3.85Å; Y220-Y444 AromaticContact CE1-CD1 3.81Å; Y220-Y444 HydrophobicContact CE1-CD1 3.81Å; Y220-Y444 HydrophobicContact CE1-CE1 4.04Å; Y220-Y444 AromaticContact CE2-CD1 3.89Å; Y220-Y444 HydrophobicContact CE2-CD1 3.89Å; Y220-Y444 AromaticContact CE2-CE1 3.77Å; Y220-Y444 HydrophobicContact CE2-CE1 3.77Å; Y220-Y444 HydrophobicContact CG-CE1 4.02Å; Y220-Y444 AromaticContact CZ-CD1 3.59Å; Y220-Y444 AromaticContact CZ-CE1 3.89Å; Y220-Y444 PolarHBondContact O-OH 2.8Å; V439-Y444 HydrophobicContact CB-CD2 4.47Å; K440-Y444 PolarHBondContact O-N 3.14Å; P441-Y444 PolarHBondContact O-N 3.2Å; Y444-L448 PolarHBondContact O-N 3.48Å
445G85Confident76.4Confident0 Ų056.1 Ų56.10%027%0.274CS..Hα-helixtrans-68.6-47.5178.400000113.4Y220 P441 R447 L448 L449Y220-G445 WeakPolarHBondContact OH-CA 3.36Å; P441-G445 PolarHBondContact O-N 2.69Å; G445-R447 VanDerWaalsContact C-N 3.32Å; G445-R447 PolarHBondContact O-N 2.74Å; G445-L448 WeakPolarHBondContact O-CB 3.28Å; G445-L448 PolarHBondContact O-N 3.09Å; G445-L449 PolarHBondContact O-N 3.14Å
446R86.7Confident78Confident117 Ų11749.2 Ų49.244%0.44224%0.237SC..Hα-helixtrans-56.5-43.7177.6-80.4-175.5-71.5159.2-1.1112.7E442 F443 L448 L449 E450E442-R446 PolarHBondContact O-NE 3.36Å; E442-R446 PolarHBondContact O-NH2 3.42Å; F443-R446 VanDerWaalsContact CD1-NH2 3.31Å; R446-L448 VanDerWaalsContact C-N 3.29Å; R446-L448 PolarHBondContact O-N 3.23Å; R446-L449 PolarHBondContact O-N 3.42Å; R446-E450 WeakPolarHBondContact O-CB 3.29Å; R446-E450 VanDerWaalsContact O-CG 3.29Å; R446-E450 WeakPolarHBondContact O-CG 3.03Å; R446-E450 PolarHBondContact O-N 3.26Å
447R85.5Confident79.6Confident95 Ų9552.4 Ų52.436%0.35825%0.245SC..Hα-helixtrans-61.6-33.5174.8-73.7176.4178.4-170.1-0.5113.6F443 G445 F451F443-R447 VanDerWaalsContact O-CG 3.31Å; F443-R447 WeakPolarHBondContact O-CG 3.25Å; F443-R447 PolarHBondContact O-N 3.15Å; G445-R447 VanDerWaalsContact C-N 3.32Å; G445-R447 PolarHBondContact O-N 2.74Å; R447-F451 VanDerWaalsContact O-CB 3.24Å; R447-F451 WeakPolarHBondContact O-CB 3.33Å; R447-F451 PolarHBondContact O-N 3.43Å; R447-F451 VanDerWaalsContact O-N 3.14Å
448L86.7Confident81.3Confident0 Ų054.3 Ų54.30%025%0.25CC..Hα-helixtrans-70-43.7175-174.765.5000110.5I209 Y220 L222 Y444 G445 R446 F451 V452I209-L448 HydrophobicContact CD1-CB 4.44Å; I209-L448 HydrophobicContact CD1-CD2 4.44Å; Y220-L448 HydrophobicContact CD2-CD2 3.88Å; Y220-L448 HydrophobicContact CE2-CD2 3.66Å; L222-L448 HydrophobicContact CB-CD1 4.28Å; Y444-L448 PolarHBondContact O-N 3.48Å; G445-L448 WeakPolarHBondContact O-CB 3.28Å; G445-L448 PolarHBondContact O-N 3.09Å; R446-L448 VanDerWaalsContact C-N 3.29Å; R446-L448 PolarHBondContact O-N 3.23Å; L448-F451 PolarHBondContact O-N 2.9Å; L448-V452 HydrophobicContact CD1-CG2 4.38Å; L448-V452 HydrophobicContact CG-CG2 4.43Å; L448-V452 WeakPolarHBondContact O-CB 3.26Å; L448-V452 WeakPolarHBondContact O-CG2 3.4Å; L448-V452 PolarHBondContact O-N 3.14Å
449L88.9Confident82.8Confident33 Ų3355.9 Ų55.917%0.17325%0.254CS..Hα-helixtrans-60.8-51.4177.2-175.367.4000111.7L202 L205 E206 I209 G445 R446 F451 V452 E453L202-L449 HydrophobicContact CD2-CD1 4.26Å; L205-L449 HydrophobicContact CD2-CD1 4.01Å; L205-L449 HydrophobicContact CG-CD1 4.1Å; E206-L449 HydrophobicContact CG-CD1 3.84Å; E206-L449 HydrophobicContact CG-CD2 3.65Å; E206-L449 HydrophobicContact CG-CG 4.42Å; I209-L449 HydrophobicContact CD1-CB 3.99Å; G445-L449 PolarHBondContact O-N 3.14Å; R446-L449 PolarHBondContact O-N 3.42Å; L449-F451 VanDerWaalsContact C-N 3.29Å; L449-F451 PolarHBondContact O-N 3.4Å; L449-V452 PolarHBondContact O-N 3.35Å; L449-E453 WeakPolarHBondContact O-CB 3.43Å; L449-E453 PolarHBondContact O-N 2.97Å
450E87Confident83.8Confident96 Ų9657.7 Ų57.745%0.44926%0.26SS..Hα-helixtrans-56.7-41.3177-71.3162.3-16600112R446 Q454R446-E450 WeakPolarHBondContact O-CB 3.29Å; R446-E450 VanDerWaalsContact O-CG 3.29Å; R446-E450 WeakPolarHBondContact O-CG 3.03Å; R446-E450 PolarHBondContact O-N 3.26Å; E450-Q454 VanDerWaalsContact O-CG 3.28Å; E450-Q454 WeakPolarHBondContact O-CG 3.31Å; E450-Q454 PolarHBondContact O-N 2.95Å; E450-Q454 PolarHBondContact O-NE2 3.07Å
451F84Confident84.4Confident34 Ų3454.8 Ų54.815%0.14925%0.248CC..Hα-helixtrans-68.4-42177.4179.6-106.6000112.1L171 D181 L185 R447 L448 L449 Q454 C455L171-F451 HydrophobicContact CB-CE1 4.11Å; L171-F451 HydrophobicContact CD1-CE1 4.05Å; L171-F451 HydrophobicContact CD2-CE1 4.06Å; L171-F451 HydrophobicContact CD2-CZ 4.42Å; L171-F451 HydrophobicContact CG-CE1 4.28Å; D181-F451 HydrophobicContact CB-CZ 4.11Å; L185-F451 HydrophobicContact CD1-CE2 4.23Å; R447-F451 VanDerWaalsContact O-CB 3.24Å; R447-F451 WeakPolarHBondContact O-CB 3.33Å; R447-F451 PolarHBondContact O-N 3.43Å; R447-F451 VanDerWaalsContact O-N 3.14Å; L448-F451 PolarHBondContact O-N 2.9Å; L449-F451 VanDerWaalsContact C-N 3.29Å; L449-F451 PolarHBondContact O-N 3.4Å; F451-Q454 PolarHBondContact O-N 3.16Å; F451-C455 PolarHBondContact O-N 3.25Å; F451-C455 VanDerWaalsContact O-N 3.12Å; F451-C455 PolarHBondContact O-SG 2.94Å
452V86.3Confident84.7Confident6 Ų658.1 Ų58.14%0.03626%0.263CS..Hα-helixtrans-66.9-40178.2171.80000111.3L202 L205 L222 L448 L449 Q454 C455 I456L202-V452 HydrophobicContact CD2-CG1 4.35Å; L205-V452 HydrophobicContact CD2-CB 3.94Å; L205-V452 HydrophobicContact CD2-CG1 3.66Å; L205-V452 HydrophobicContact CD2-CG2 4.08Å; L222-V452 HydrophobicContact CD2-CG1 4.38Å; L222-V452 HydrophobicContact CD2-CG2 3.47Å; L222-V452 VanDerWaalsContact CD2-CG2 3.47Å; L448-V452 HydrophobicContact CD1-CG2 4.38Å; L448-V452 HydrophobicContact CG-CG2 4.43Å; L448-V452 WeakPolarHBondContact O-CB 3.26Å; L448-V452 WeakPolarHBondContact O-CG2 3.4Å; L448-V452 PolarHBondContact O-N 3.14Å; L449-V452 PolarHBondContact O-N 3.35Å; V452-Q454 VanDerWaalsContact C-N 3.3Å; V452-Q454 PolarHBondContact O-N 3.22Å; V452-C455 WeakPolarHBondContact O-CB 3.3Å; V452-C455 PolarHBondContact O-N 3.28Å; V452-C455 VanDerWaalsContact O-N 3.08Å; V452-I456 HydrophobicContact CG1-CD1 3.81Å; V452-I456 VanDerWaalsContact O-CD1 3.23Å; V452-I456 WeakPolarHBondContact O-CD1 3.26Å; V452-I456 VanDerWaalsContact O-CG1 3.3Å; V452-I456 WeakPolarHBondContact O-CG1 3.35Å; V452-I456 PolarHBondContact O-N 3.23Å
453E86.8Confident85Confident114 Ų11456.9 Ų56.953%0.53326%0.257SS..Hα-helixtrans-59.6-40.4174.5-172.7176.6-157.200111.9L449 C455 I456L449-E453 WeakPolarHBondContact O-CB 3.43Å; L449-E453 PolarHBondContact O-N 2.97Å; E453-C455 VanDerWaalsContact C-N 3.3Å; E453-C455 PolarHBondContact O-N 2.93Å; E453-I456 PolarHBondContact O-N 3.44Å
454Q84.3Confident85.1Confident134 Ų13453.7 Ų53.763%0.62624%0.243SC*.Hα-helixtrans-67.8-26.7174.6-69.9166.732.100113.5E450 F451 V452 I456E450-Q454 VanDerWaalsContact O-CG 3.28Å; E450-Q454 WeakPolarHBondContact O-CG 3.31Å; E450-Q454 PolarHBondContact O-N 2.95Å; E450-Q454 PolarHBondContact O-NE2 3.07Å; F451-Q454 PolarHBondContact O-N 3.16Å; V452-Q454 VanDerWaalsContact C-N 3.3Å; V452-Q454 PolarHBondContact O-N 3.22Å; Q454-I456 VanDerWaalsContact C-N 3.34Å
455C82.8Confident85.2Confident2 Ų256.8 Ų56.81%0.01426%0.258CS..THydrogen-bonded Turntrans-79.7-9.9-178.8-71.70000114.3F184 K190 M191 F451 V452 E453F184-C455 HydrophobicContact CE1-CB 3.61Å; F184-C455 WeakPolarHBondContact CE1-SG 3.44Å; F184-C455 HydrophobicContact CZ-CB 4.15Å; K190-C455 WeakPolarHBondContact CA-O 3.11Å; M191-C455 PolarHBondContact N-O 2.82Å; F451-C455 PolarHBondContact O-N 3.25Å; F451-C455 VanDerWaalsContact O-N 3.12Å; F451-C455 PolarHBondContact O-SG 2.94Å; V452-C455 WeakPolarHBondContact O-CB 3.3Å; V452-C455 PolarHBondContact O-N 3.28Å; V452-C455 VanDerWaalsContact O-N 3.08Å; E453-C455 VanDerWaalsContact C-N 3.3Å; E453-C455 PolarHBondContact O-N 2.93Å
456I84.3Confident85.2Confident4 Ų461.5 Ų61.52%0.02128%0.279CS..BIsolated β-bridgetrans-114.8127.2-174.3-52.6151.7000109.4M191 I193 K198 M201 L202 V452 E453 Q454M191-I456 HydrophobicContact CB-CG1 4.47Å; M191-I456 WeakPolarHBondContact O-CA 3.05Å; M191-I456 WeakPolarHBondContact O-CG2 3.45Å; I193-I456 HydrophobicContact CB-CG2 4.15Å; I193-I456 HydrophobicContact CD1-CG2 4.49Å; K198-I456 HydrophobicContact CB-CG2 4.4Å; K198-I456 HydrophobicContact CD-CB 4.4Å; K198-I456 HydrophobicContact CD-CG2 3.62Å; K198-I456 HydrophobicContact CG-CG2 3.88Å; K198-I456 PolarHBondContact NZ-O 2.85Å; M201-I456 HydrophobicContact CE-CD1 3.26Å; M201-I456 HydrophobicContact CE-CG1 3.96Å; L202-I456 HydrophobicContact CD2-CD1 4.17Å; V452-I456 HydrophobicContact CG1-CD1 3.81Å; V452-I456 VanDerWaalsContact O-CD1 3.23Å; V452-I456 WeakPolarHBondContact O-CD1 3.26Å; V452-I456 VanDerWaalsContact O-CG1 3.3Å; V452-I456 WeakPolarHBondContact O-CG1 3.35Å; V452-I456 PolarHBondContact O-N 3.23Å; E453-I456 PolarHBondContact O-N 3.44Å; Q454-I456 VanDerWaalsContact C-N 3.34Å
457D79.5Confident85.1Confident103 Ų10356.5 Ų56.555%0.55126%0.264SS*.  trans-82.20168.5-136.423.4000110K190 M191 K198K190-D457 HydrophobicContact CB-CB 3.99Å; K190-D457 HydrophobicContact CD-CB 3.55Å; K190-D457 VanDerWaalsContact CD-CG 3.41Å; K190-D457 WeakPolarHBondContact CD-OD1 3.4Å; K190-D457 WeakPolarHBondContact CE-OD1 3.26Å; K190-D457 HydrophobicContact CG-CB 4.46Å; K190-D457 IonicContact NZ-OD1 2.61Å; K190-D457 PolarHBondContact NZ-OD1 2.88Å; M191-D457 PolarHBondContact O-N 3.01Å; K198-D457 VanDerWaalsContact NZ-C 3.29Å; K198-D457 PolarHBondContact NZ-OXT 3.23Å

Retrieved 457 of 457 residues in 679.9 ms (Link to these results)

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