A0A5K4F544_SCHMA Loading...

tRNA-synt_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F544, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 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
1M58.4Low85.8Confident219 Ų21999 Ų99100%1.07953%0.529SS*.  0114.20-67165.9-171.600107.1
2A72Confident86.6Confident94 Ų9498.7 Ų98.778%0.77753%0.526SS*.  trans-89-9.6-17200000114.1
3F83.5Confident87.3Confident189 Ų18994.9 Ų94.983%0.82951%0.505SS*.SBendtrans-133.383.3-179.7-57.5-77.2000108
4I88.4Confident88Confident87 Ų8789.4 Ų89.445%0.44648%0.475SS..  trans-80.4133.8176.3-162158.1000109.1D8 I9 I12I4-D8 HydrophobicContact CD1-CB 4.13Å; I4-D8 HydrophobicContact CG1-CB 3.49Å; I4-D8 VanDerWaalsContact CG1-CB 3.49Å; I4-I9 HydrophobicContact CD1-CD1 3.34Å; I4-I9 HydrophobicContact CD1-CG1 4.03Å; I4-I9 HydrophobicContact CG1-CD1 3.86Å; I4-I9 HydrophobicContact CG1-CG1 4.03Å; I4-I9 HydrophobicContact CG2-CD1 4.24Å; I4-I12 HydrophobicContact CD1-CD1 3.87Å
5T89.9Confident88.5Confident63 Ų6389.1 Ų89.139%0.38747%0.473SS..  trans-91162.5174.267.80000110.3D7 D8 I9T5-D7 PolarHBondContact O-N 3.34Å; T5-D8 WeakPolarHBondContact CB-OD2 3.32Å; T5-D8 PolarHBondContact N-OD2 2.76Å; T5-D8 PolarHBondContact O-N 2.88Å; T5-D8 PolarHBondContact OG1-N 3.43Å; T5-D8 PolarHBondContact OG1-OD2 3.09Å; T5-I9 PolarHBondContact O-N 3.31Å
6P88.8Confident89Confident73 Ų7389.7 Ų89.747%0.47447%0.474SS..Hα-helixtrans-56.1-36.7172.1-26.335.9000112.9I9 Y10P6-I9 WeakPolarHBondContact O-CB 3.28Å; P6-I9 PolarHBondContact O-N 3.29Å; P6-I9 VanDerWaalsContact O-N 3.17Å; P6-Y10 HydrophobicContact CB-CE2 4.24Å; P6-Y10 WeakPolarHBondContact O-CD1 3.34Å; P6-Y10 WeakPolarHBondContact O-CD2 3.32Å; P6-Y10 VanDerWaalsContact O-CG 3.25Å; P6-Y10 PolarHBondContact O-N 3.03Å
7D90.9Very high89.3Confident109 Ų10985.7 Ų85.758%0.58345%0.453SS*.Hα-helixtrans-67.4-38.9-179.8-59.9-39.5000111.8T5 I9 Y10 E11T5-D7 PolarHBondContact O-N 3.34Å; D7-I9 VanDerWaalsContact C-N 3.26Å; D7-I9 PolarHBondContact O-N 3.37Å; D7-Y10 PolarHBondContact O-N 2.98Å; D7-E11 PolarHBondContact O-N 3.28Å
8D91.9Very high89.6Confident55 Ų5584.3 Ų84.329%0.29445%0.445SS..Hα-helixtrans-60.6-37.2172.8-59.9-48.3000111.4I4 T5 I12I4-D8 HydrophobicContact CD1-CB 4.13Å; I4-D8 HydrophobicContact CG1-CB 3.49Å; I4-D8 VanDerWaalsContact CG1-CB 3.49Å; T5-D8 WeakPolarHBondContact CB-OD2 3.32Å; T5-D8 PolarHBondContact N-OD2 2.76Å; T5-D8 PolarHBondContact O-N 2.88Å; T5-D8 PolarHBondContact OG1-N 3.43Å; T5-D8 PolarHBondContact OG1-OD2 3.09Å; D8-I12 WeakPolarHBondContact O-CD1 3.45Å; D8-I12 WeakPolarHBondContact O-CG1 3.27Å; D8-I12 PolarHBondContact O-N 2.91Å; D8-I12 VanDerWaalsContact O-N 3.09Å
9I92.2Very high89.9Confident69 Ų6990.3 Ų90.335%0.35446%0.463SS..Hα-helixtrans-67.9-43.9176.4-62.8-69.9000110.8I4 T5 P6 D7 E11 I12 I13I4-I9 HydrophobicContact CD1-CD1 3.34Å; I4-I9 HydrophobicContact CD1-CG1 4.03Å; I4-I9 HydrophobicContact CG1-CD1 3.86Å; I4-I9 HydrophobicContact CG1-CG1 4.03Å; I4-I9 HydrophobicContact CG2-CD1 4.24Å; T5-I9 PolarHBondContact O-N 3.31Å; P6-I9 WeakPolarHBondContact O-CB 3.28Å; P6-I9 PolarHBondContact O-N 3.29Å; P6-I9 VanDerWaalsContact O-N 3.17Å; D7-I9 VanDerWaalsContact C-N 3.26Å; D7-I9 PolarHBondContact O-N 3.37Å; I9-E11 VanDerWaalsContact C-N 3.33Å; I9-E11 PolarHBondContact O-N 3.19Å; I9-I12 PolarHBondContact O-N 2.95Å; I9-I13 HydrophobicContact CG2-CG1 4.33Å; I9-I13 WeakPolarHBondContact O-CG1 3.29Å; I9-I13 PolarHBondContact O-N 3.46Å
10Y93.8Very high90.2Very high16 Ų1689.4 Ų89.46%0.06346%0.458CS..Hα-helixtrans-59-48.9177.6-55-29.2000110.4P6 D7 I12 I13 E14 L39 W171 N173 S196P6-Y10 HydrophobicContact CB-CE2 4.24Å; P6-Y10 WeakPolarHBondContact O-CD1 3.34Å; P6-Y10 WeakPolarHBondContact O-CD2 3.32Å; P6-Y10 VanDerWaalsContact O-CG 3.25Å; P6-Y10 PolarHBondContact O-N 3.03Å; D7-Y10 PolarHBondContact O-N 2.98Å; Y10-I12 VanDerWaalsContact C-N 3.35Å; Y10-I12 PolarHBondContact O-N 3.49Å; Y10-I13 PolarHBondContact O-N 2.87Å; Y10-E14 WeakPolarHBondContact O-CB 3.35Å; Y10-E14 VanDerWaalsContact O-CG 3.25Å; Y10-E14 WeakPolarHBondContact O-CG 3.32Å; Y10-E14 PolarHBondContact O-N 3.29Å; Y10-L39 HydrophobicContact CD2-CD1 4.32Å; Y10-L39 HydrophobicContact CE2-CD1 3.66Å; Y10-W171 AromaticContact CD1-CD2 3.5Å; Y10-W171 HydrophobicContact CD1-CD2 3.5Å; Y10-W171 AromaticContact CD1-CE2 3.56Å; Y10-W171 AromaticContact CD1-CE3 3.73Å; Y10-W171 HydrophobicContact CD1-CE3 3.73Å; Y10-W171 AromaticContact CD1-CG 3.99Å; Y10-W171 HydrophobicContact CD1-CG 3.99Å; Y10-W171 HydrophobicContact CD1-CH2 4.06Å; Y10-W171 AromaticContact CD1-CZ2 3.87Å; Y10-W171 HydrophobicContact CD1-CZ2 3.87Å; Y10-W171 AromaticContact CD1-CZ3 3.99Å; Y10-W171 HydrophobicContact CD1-CZ3 3.99Å; Y10-W171 AromaticContact CE1-CD2 3.8Å; Y10-W171 HydrophobicContact CE1-CD2 3.8Å; Y10-W171 AromaticContact CE1-CE3 3.72Å; Y10-W171 HydrophobicContact CE1-CE3 3.72Å; Y10-W171 HydrophobicContact CE1-CG 4.15Å; Y10-W171 HydrophobicContact CE1-CZ3 4.19Å; Y10-W171 HydrophobicContact CG-CD2 4.26Å; Y10-W171 HydrophobicContact CG-CG 4.41Å; Y10-N173 WeakPolarHBondContact OH-CB 3.38Å; Y10-S196 VanDerWaalsContact OH-CB 3.29Å; Y10-S196 WeakPolarHBondContact OH-CB 3.48Å; Y10-S196 PolarHBondContact OH-OG 3.03Å
11E94.6Very high90.4Very high115 Ų11585.8 Ų85.854%0.53744%0.439SS..Hα-helixtrans-58.1-45.1179.2-178.1178-18000111.9D7 I9 I13 N15D7-E11 PolarHBondContact O-N 3.28Å; I9-E11 VanDerWaalsContact C-N 3.33Å; I9-E11 PolarHBondContact O-N 3.19Å; E11-I13 PolarHBondContact O-N 2.96Å; E11-N15 VanDerWaalsContact CG-ND2 3.32Å; E11-N15 WeakPolarHBondContact CG-ND2 3.46Å; E11-N15 VanDerWaalsContact O-CB 3.22Å; E11-N15 WeakPolarHBondContact O-CB 3.42Å; E11-N15 VanDerWaalsContact O-CG 3.25Å; E11-N15 PolarHBondContact O-N 3.29Å; E11-N15 PolarHBondContact O-ND2 2.94Å; E11-N15 VanDerWaalsContact O-ND2 3.16Å
12I95Very high92.1Very high95 Ų9579 Ų7949%0.48741%0.411SS..Hα-helixtrans-61-47.5178.6-70.7164.9000111.1I4 D8 I9 Y10 M16I4-I12 HydrophobicContact CD1-CD1 3.87Å; D8-I12 WeakPolarHBondContact O-CD1 3.45Å; D8-I12 WeakPolarHBondContact O-CG1 3.27Å; D8-I12 PolarHBondContact O-N 2.91Å; D8-I12 VanDerWaalsContact O-N 3.09Å; I9-I12 PolarHBondContact O-N 2.95Å; Y10-I12 VanDerWaalsContact C-N 3.35Å; Y10-I12 PolarHBondContact O-N 3.49Å; I12-M16 VanDerWaalsContact O-CB 3.29Å; I12-M16 WeakPolarHBondContact O-CB 3.36Å; I12-M16 PolarHBondContact O-N 3.17Å
13I95.5Very high93.2Very high50 Ų5079 Ų7926%0.25640%0.401SS..Hα-helixtrans-69.8-41.4-177.3-64.6-64.1000111.2I9 Y10 E11 M16 L17 W171 L198I9-I13 HydrophobicContact CG2-CG1 4.33Å; I9-I13 WeakPolarHBondContact O-CG1 3.29Å; I9-I13 PolarHBondContact O-N 3.46Å; Y10-I13 PolarHBondContact O-N 2.87Å; E11-I13 PolarHBondContact O-N 2.96Å; I13-M16 HydrophobicContact CD1-CE 4.3Å; I13-M16 PolarHBondContact O-N 2.83Å; I13-L17 HydrophobicContact CG2-CD1 3.96Å; I13-L17 WeakPolarHBondContact O-CB 3.22Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 3.14Å; I13-W171 HydrophobicContact CB-CH2 4Å; I13-W171 HydrophobicContact CB-CZ2 3.91Å; I13-W171 HydrophobicContact CG1-CH2 4.18Å; I13-W171 HydrophobicContact CG2-CH2 3.85Å; I13-W171 HydrophobicContact CG2-CZ2 3.8Å; I13-L198 HydrophobicContact CG2-CD2 4.05Å
14E96.5Very high93.6Very high18 Ų1872.2 Ų72.28%0.08438%0.375CS..Hα-helixtrans-63.3-46.9177.2-78.7-176.6-168.500111.8Y10 M16 L17 L18 T35 P36 F37 W171Y10-E14 WeakPolarHBondContact O-CB 3.35Å; Y10-E14 VanDerWaalsContact O-CG 3.25Å; Y10-E14 WeakPolarHBondContact O-CG 3.32Å; Y10-E14 PolarHBondContact O-N 3.29Å; E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 2.86Å; E14-L17 PolarHBondContact O-N 3.33Å; E14-L18 WeakPolarHBondContact O-CB 3.39Å; E14-L18 WeakPolarHBondContact O-CG 3.45Å; E14-L18 PolarHBondContact O-N 3.25Å; E14-T35 HydrophobicContact CB-CG2 3.68Å; E14-T35 HydrophobicContact CG-CG2 3.98Å; E14-T35 WeakPolarHBondContact OE2-CB 3.36Å; E14-P36 WeakPolarHBondContact OE2-CA 3.45Å; E14-F37 HydrophobicContact CG-CD2 3.53Å; E14-F37 HydrophobicContact CG-CE2 3.67Å; E14-F37 HydrophobicContact CG-CG 4.05Å; E14-F37 HydrophobicContact CG-CZ 4.29Å; E14-F37 WeakPolarHBondContact OE1-CB 3.47Å; E14-F37 PolarHBondContact OE1-N 3.28Å; E14-F37 VanDerWaalsContact OE1-N 3.07Å; E14-W171 PolarHBondContact OE1-NE1 3.33Å
15N96.3Very high93.7Very high84 Ų8470.9 Ų70.945%0.44937%0.367SS..Hα-helixtrans-64.6-38.2176-75.2-31.1000112E11 Y19E11-N15 VanDerWaalsContact CG-ND2 3.32Å; E11-N15 WeakPolarHBondContact CG-ND2 3.46Å; E11-N15 VanDerWaalsContact O-CB 3.22Å; E11-N15 WeakPolarHBondContact O-CB 3.42Å; E11-N15 VanDerWaalsContact O-CG 3.25Å; E11-N15 PolarHBondContact O-N 3.29Å; E11-N15 PolarHBondContact O-ND2 2.94Å; E11-N15 VanDerWaalsContact O-ND2 3.16Å; N15-Y19 WeakPolarHBondContact O-CB 3.36Å; N15-Y19 PolarHBondContact O-N 3.16Å
16M96.1Very high93.8Very high99 Ų9972.6 Ų72.649%0.48838%0.382SS..Hα-helixtrans-62.2-46174-177.5-168.971.500111I12 I13 E14 Y19 I20I12-M16 VanDerWaalsContact O-CB 3.29Å; I12-M16 WeakPolarHBondContact O-CB 3.36Å; I12-M16 PolarHBondContact O-N 3.17Å; I13-M16 HydrophobicContact CD1-CE 4.3Å; I13-M16 PolarHBondContact O-N 2.83Å; E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 2.86Å; M16-Y19 PolarHBondContact O-N 3.45Å; M16-I20 PolarHBondContact O-N 3.46Å; M16-I20 VanDerWaalsContact O-N 3.14Å
17L95.1Very high94Very high22 Ų2274.8 Ų74.812%0.11539%0.394CS..Hα-helixtrans-63.8-46.1178.3-77.2167.5000111.2I13 E14 Y19 I20 W21 I33 F37 F169 L198I13-L17 HydrophobicContact CG2-CD1 3.96Å; I13-L17 WeakPolarHBondContact O-CB 3.22Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 3.14Å; E14-L17 PolarHBondContact O-N 3.33Å; L17-Y19 VanDerWaalsContact C-N 3.26Å; L17-Y19 PolarHBondContact O-N 2.85Å; L17-I20 HydrophobicContact CD2-CD1 4.2Å; L17-I20 WeakPolarHBondContact O-CG1 3.46Å; L17-I20 PolarHBondContact O-N 3.37Å; L17-W21 VanDerWaalsContact O-CB 3.29Å; L17-W21 WeakPolarHBondContact O-CB 3.44Å; L17-W21 PolarHBondContact O-N 2.98Å; L17-I33 HydrophobicContact CB-CD1 3.96Å; L17-F37 HydrophobicContact CB-CZ 4.29Å; L17-F37 HydrophobicContact CD1-CE2 3.55Å; L17-F37 HydrophobicContact CD1-CZ 3.86Å; L17-F169 HydrophobicContact CD1-CD1 4.47Å; L17-F169 HydrophobicContact CD1-CE1 4.14Å; L17-L198 HydrophobicContact CD1-CD2 3.81Å
18L94.2Very high93.8Very high60 Ų6073 Ų7331%0.31439%0.39SS..Hα-helixtrans-56.9-40.1174.4-78.9176.1000112.5E14 P22 I33 T35E14-L18 WeakPolarHBondContact O-CB 3.39Å; E14-L18 WeakPolarHBondContact O-CG 3.45Å; E14-L18 PolarHBondContact O-N 3.25Å; L18-P22 VanDerWaalsContact O-CD 3.28Å; L18-P22 WeakPolarHBondContact O-CD 3.48Å; L18-I33 HydrophobicContact CD2-CD1 4.3Å; L18-I33 HydrophobicContact CD2-CG1 4.04Å; L18-T35 HydrophobicContact CD1-CG2 3.6Å; L18-T35 WeakPolarHBondContact CD1-OG1 3.4Å; L18-T35 HydrophobicContact CD2-CG2 4.11Å; L18-T35 HydrophobicContact CG-CG2 3.67Å
19Y95.9Very high93.6Very high199 Ų19973.4 Ų73.478%0.7841%0.408SS*.Hα-helixtrans-65.9-41.2179.7179.5-99.7000112.5N15 M16 L17N15-Y19 WeakPolarHBondContact O-CB 3.36Å; N15-Y19 PolarHBondContact O-N 3.16Å; M16-Y19 PolarHBondContact O-N 3.45Å; L17-Y19 VanDerWaalsContact C-N 3.26Å; L17-Y19 PolarHBondContact O-N 2.85Å
20I95.3Very high93.3Very high72 Ų7271.3 Ų71.337%0.36940%0.399SS..Hα-helixtrans-85.4-18.9-179.568.5174000113.2M16 L17 P22 T23 V24M16-I20 PolarHBondContact O-N 3.46Å; M16-I20 VanDerWaalsContact O-N 3.14Å; L17-I20 HydrophobicContact CD2-CD1 4.2Å; L17-I20 WeakPolarHBondContact O-CG1 3.46Å; L17-I20 PolarHBondContact O-N 3.37Å; I20-P22 VanDerWaalsContact C-CD 3.46Å; I20-T23 VanDerWaalsContact O-CB 3.32Å; I20-T23 WeakPolarHBondContact O-CB 3.49Å; I20-T23 PolarHBondContact O-N 3.25Å; I20-V24 PolarHBondContact O-N 3.07Å
21W95.2Very high93.1Very high14 Ų1476.1 Ų76.15%0.05342%0.422CS..Hα-helixtrans-59.2-36.2-172-151.7-109000114.9L17 T23 V24 Q25 Q31 I33 F167 F169L17-W21 VanDerWaalsContact O-CB 3.29Å; L17-W21 WeakPolarHBondContact O-CB 3.44Å; L17-W21 PolarHBondContact O-N 2.98Å; W21-T23 PolarHBondContact O-N 2.89Å; W21-V24 HydrophobicContact CD2-CB 4.41Å; W21-V24 HydrophobicContact CE3-CB 4.45Å; W21-V24 HydrophobicContact CE3-CG2 4.37Å; W21-V24 WeakPolarHBondContact O-CB 3.32Å; W21-V24 PolarHBondContact O-N 2.92Å; W21-V24 VanDerWaalsContact O-N 3.09Å; W21-Q25 VanDerWaalsContact CD1-NE2 3.3Å; W21-Q25 HydrophobicContact CG-CG 4.43Å; W21-Q25 WeakPolarHBondContact O-CG 3.49Å; W21-Q25 PolarHBondContact O-N 3.24Å; W21-Q25 PolarHBondContact O-NE2 3.05Å; W21-Q31 PolarHBondContact NE1-O 2.88Å; W21-I33 HydrophobicContact CB-CD1 3.99Å; W21-I33 HydrophobicContact CB-CG1 4.01Å; W21-I33 HydrophobicContact CD2-CB 4.27Å; W21-I33 HydrophobicContact CD2-CD1 3.56Å; W21-I33 HydrophobicContact CD2-CG1 3.63Å; W21-I33 HydrophobicContact CD2-CG2 3.78Å; W21-I33 HydrophobicContact CE3-CD1 3.59Å; W21-I33 HydrophobicContact CE3-CG1 4.2Å; W21-I33 HydrophobicContact CE3-CG2 4.25Å; W21-I33 HydrophobicContact CG-CB 4.43Å; W21-I33 HydrophobicContact CG-CD1 3.74Å; W21-I33 HydrophobicContact CG-CG1 3.5Å; W21-I33 HydrophobicContact CG-CG2 4.38Å; W21-I33 HydrophobicContact CH2-CG2 3.76Å; W21-I33 HydrophobicContact CZ2-CB 4.46Å; W21-I33 HydrophobicContact CZ2-CG2 3.21Å; W21-I33 HydrophobicContact CZ3-CD1 4.26Å; W21-I33 HydrophobicContact CZ3-CG2 4.24Å; W21-F167 HydrophobicContact CH2-CB 4.05Å; W21-F167 HydrophobicContact CH2-CD1 4.34Å; W21-F167 AromaticContact CH2-CD2 3.69Å; W21-F167 HydrophobicContact CH2-CD2 3.69Å; W21-F167 HydrophobicContact CH2-CE2 4.11Å; W21-F167 AromaticContact CH2-CG 3.77Å; W21-F167 HydrophobicContact CH2-CG 3.77Å; W21-F167 HydrophobicContact CZ2-CB 4.04Å; W21-F167 AromaticContact CZ2-CD2 3.38Å; W21-F167 HydrophobicContact CZ2-CD2 3.38Å; W21-F167 AromaticContact CZ2-CE2 3.93Å; W21-F167 HydrophobicContact CZ2-CE2 3.93Å; W21-F167 AromaticContact CZ2-CG 3.84Å; W21-F167 HydrophobicContact CZ2-CG 3.84Å; W21-F169 AromaticContact CH2-CE2 3.54Å; W21-F169 HydrophobicContact CH2-CE2 3.54Å; W21-F169 AromaticContact CH2-CZ 3.66Å; W21-F169 HydrophobicContact CH2-CZ 3.66Å; W21-F169 HydrophobicContact CZ2-CE2 4.27Å; W21-F169 AromaticContact CZ3-CE2 3.81Å; W21-F169 HydrophobicContact CZ3-CE2 3.81Å; W21-F169 AromaticContact CZ3-CZ 3.64Å; W21-F169 HydrophobicContact CZ3-CZ 3.64Å
22P93.9Very high92.9Very high75 Ų7574.6 Ų74.649%0.48742%0.422SS..Hα-helixtrans-55.7-38.6173.6-28.236.6000113L18 I20 Q25 S26L18-P22 VanDerWaalsContact O-CD 3.28Å; L18-P22 WeakPolarHBondContact O-CD 3.48Å; I20-P22 VanDerWaalsContact C-CD 3.46Å; P22-Q25 PolarHBondContact O-N 2.9Å; P22-S26 WeakPolarHBondContact O-CB 3.25Å; P22-S26 PolarHBondContact O-N 3.35Å; P22-S26 PolarHBondContact O-OG 2.93Å
23T93.9Very high92.7Very high94 Ų9471.1 Ų71.158%0.57740%0.404SS*.Hα-helixtrans-65.3-43.8175.2-52.90000110.9I20 W21 S26 T27I20-T23 VanDerWaalsContact O-CB 3.32Å; I20-T23 WeakPolarHBondContact O-CB 3.49Å; I20-T23 PolarHBondContact O-N 3.25Å; W21-T23 PolarHBondContact O-N 2.89Å; T23-S26 PolarHBondContact O-N 3.09Å; T23-S26 PolarHBondContact O-OG 3.28Å; T23-T27 PolarHBondContact O-N 2.85Å; T23-T27 PolarHBondContact O-OG1 3.03Å
24V91.2Very high92.5Very high47 Ų4773.4 Ų73.429%0.28543%0.425SS..Hα-helixtrans-60.6-50.9176.5-178.80000110.4I20 W21 S26 T27 S28I20-V24 PolarHBondContact O-N 3.07Å; W21-V24 HydrophobicContact CD2-CB 4.41Å; W21-V24 HydrophobicContact CE3-CB 4.45Å; W21-V24 HydrophobicContact CE3-CG2 4.37Å; W21-V24 WeakPolarHBondContact O-CB 3.32Å; W21-V24 PolarHBondContact O-N 2.92Å; W21-V24 VanDerWaalsContact O-N 3.09Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.49Å; V24-T27 PolarHBondContact O-N 3.29Å; V24-S28 PolarHBondContact O-N 3.36Å; V24-S28 PolarHBondContact O-OG 2.82Å
25Q91.3Very high92.2Very high60 Ų6074.7 Ų74.728%0.2843%0.433SS..Hα-helixtrans-55.7-44.5177.6-72.4174.888.100112.2W21 P22 T27 G29W21-Q25 VanDerWaalsContact CD1-NE2 3.3Å; W21-Q25 HydrophobicContact CG-CG 4.43Å; W21-Q25 WeakPolarHBondContact O-CG 3.49Å; W21-Q25 PolarHBondContact O-N 3.24Å; W21-Q25 PolarHBondContact O-NE2 3.05Å; P22-Q25 PolarHBondContact O-N 2.9Å; Q25-T27 PolarHBondContact O-N 3.38Å; Q25-G29 VanDerWaalsContact O-CA 3.27Å; Q25-G29 WeakPolarHBondContact O-CA 3.2Å; Q25-G29 PolarHBondContact O-N 3.49Å
26S92.2Very high92.1Very high99 Ų9976 Ų7669%0.69245%0.447SS*.Hα-helixtrans-65.4-25.3179.571.90000113.5P22 T23 V24P22-S26 WeakPolarHBondContact O-CB 3.25Å; P22-S26 PolarHBondContact O-N 3.35Å; P22-S26 PolarHBondContact O-OG 2.93Å; T23-S26 PolarHBondContact O-N 3.09Å; T23-S26 PolarHBondContact O-OG 3.28Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.49Å
27T92.3Very high92Very high118 Ų11872 Ų7272%0.72443%0.427SS*.Hα-helixtrans-92.8-42.5-177.5-550000112.1T23 V24 Q25T23-T27 PolarHBondContact O-N 2.85Å; T23-T27 PolarHBondContact O-OG1 3.03Å; V24-T27 PolarHBondContact O-N 3.29Å; Q25-T27 PolarHBondContact O-N 3.38Å
28S87.4Confident91.9Very high72 Ų7275.8 Ų75.850%0.50345%0.446SS..Hα-helixtrans-99.8-13.9-174.164.30000114V24 C30V24-S28 PolarHBondContact O-N 3.36Å; V24-S28 PolarHBondContact O-OG 2.82Å; S28-C30 PolarHBondContact O-N 2.87Å; S28-C30 WeakPolarHBondContact OG-CB 3.34Å; S28-C30 PolarHBondContact OG-N 3.47Å; S28-C30 PolarHBondContact OG-SG 3.18Å
29G87.2Confident91.9Very high64 Ų6476.8 Ų76.866%0.6645%0.452SS*.  trans66.616.7-171.300000113.6Q25Q25-G29 VanDerWaalsContact O-CA 3.27Å; Q25-G29 WeakPolarHBondContact O-CA 3.2Å; Q25-G29 PolarHBondContact O-N 3.49Å
30C86.1Confident91.8Very high25 Ų2568.1 Ų68.117%0.16942%0.419CS..PPolyproline II helixtrans-72.4164.4-17871.80000112.9S28 F167S28-C30 PolarHBondContact O-N 2.87Å; S28-C30 WeakPolarHBondContact OG-CB 3.34Å; S28-C30 PolarHBondContact OG-N 3.47Å; S28-C30 PolarHBondContact OG-SG 3.18Å; C30-F167 HydrophobicContact CB-CD2 4.07Å; C30-F167 HydrophobicContact CB-CE2 3.54Å
31Q89Confident91.7Very high116 Ų11668.9 Ų68.954%0.54242%0.42SS..PPolyproline II helixtrans-65.6153.7175.1-64.6-60.9-57.600111.9W21W21-Q31 PolarHBondContact NE1-O 2.88Å
32P90.9Very high91.5Very high84 Ų8471 Ų7155%0.54543%0.429SS..PPolyproline II helixtrans-62.8149.317027.1-34.4000110.7
33I92.2Very high91.4Very high22 Ų2270.7 Ų70.711%0.11343%0.428CS..PPolyproline II helixtrans-93.1154.1168.458.4172.9000109.9L17 L18 W21 F37 F167 F169L17-I33 HydrophobicContact CB-CD1 3.96Å; L18-I33 HydrophobicContact CD2-CD1 4.3Å; L18-I33 HydrophobicContact CD2-CG1 4.04Å; W21-I33 HydrophobicContact CB-CD1 3.99Å; W21-I33 HydrophobicContact CB-CG1 4.01Å; W21-I33 HydrophobicContact CD2-CB 4.27Å; W21-I33 HydrophobicContact CD2-CD1 3.56Å; W21-I33 HydrophobicContact CD2-CG1 3.63Å; W21-I33 HydrophobicContact CD2-CG2 3.78Å; W21-I33 HydrophobicContact CE3-CD1 3.59Å; W21-I33 HydrophobicContact CE3-CG1 4.2Å; W21-I33 HydrophobicContact CE3-CG2 4.25Å; W21-I33 HydrophobicContact CG-CB 4.43Å; W21-I33 HydrophobicContact CG-CD1 3.74Å; W21-I33 HydrophobicContact CG-CG1 3.5Å; W21-I33 HydrophobicContact CG-CG2 4.38Å; W21-I33 HydrophobicContact CH2-CG2 3.76Å; W21-I33 HydrophobicContact CZ2-CB 4.46Å; W21-I33 HydrophobicContact CZ2-CG2 3.21Å; W21-I33 HydrophobicContact CZ3-CD1 4.26Å; W21-I33 HydrophobicContact CZ3-CG2 4.24Å; I33-F37 HydrophobicContact CB-CE1 4.39Å; I33-F37 HydrophobicContact CD1-CE1 4.21Å; I33-F37 HydrophobicContact CD1-CZ 4.01Å; I33-F167 HydrophobicContact CG2-CB 4.41Å; I33-F169 HydrophobicContact CG2-CD2 3.95Å; I33-F169 HydrophobicContact CG2-CE2 3.62Å
34S90.1Very high91.3Very high98 Ų9868.3 Ų68.369%0.68541%0.412SS*.  trans-122.7143.1171.6-170.40000109.3F37S34-F37 WeakPolarHBondContact O-CD1 3.37Å; S34-F37 WeakPolarHBondContact O-CE1 3.2Å
35T90.2Very high91.4Very high44 Ų4466.1 Ų66.127%0.2740%0.398SS..SBendtrans-108.2159.8168.861.90000109.1E14 L18 F37E14-T35 HydrophobicContact CB-CG2 3.68Å; E14-T35 HydrophobicContact CG-CG2 3.98Å; E14-T35 WeakPolarHBondContact OE2-CB 3.36Å; L18-T35 HydrophobicContact CD1-CG2 3.6Å; L18-T35 WeakPolarHBondContact CD1-OG1 3.4Å; L18-T35 HydrophobicContact CD2-CG2 4.11Å; L18-T35 HydrophobicContact CG-CG2 3.67Å; T35-F37 HydrophobicContact CG2-CD1 4.15Å; T35-F37 HydrophobicContact CG2-CE1 3.79Å; T35-F37 HydrophobicContact CG2-CZ 4.2Å
36P93.7Very high91.5Very high113 Ų11365 Ų6573%0.73439%0.394SS*.SBendcis-67.3146.5-4.230.3-35000111.9E14E14-P36 WeakPolarHBondContact OE2-CA 3.45Å
37F94.2Very high91.6Very high15 Ų1563.5 Ų63.57%0.06638%0.383CS..PPolyproline II helixtrans-68.2157.8173-62.4-28.5000110.4E14 L17 I33 S34 T35 L39 F169 W171 L198E14-F37 HydrophobicContact CG-CD2 3.53Å; E14-F37 HydrophobicContact CG-CE2 3.67Å; E14-F37 HydrophobicContact CG-CG 4.05Å; E14-F37 HydrophobicContact CG-CZ 4.29Å; E14-F37 WeakPolarHBondContact OE1-CB 3.47Å; E14-F37 PolarHBondContact OE1-N 3.28Å; E14-F37 VanDerWaalsContact OE1-N 3.07Å; L17-F37 HydrophobicContact CB-CZ 4.29Å; L17-F37 HydrophobicContact CD1-CE2 3.55Å; L17-F37 HydrophobicContact CD1-CZ 3.86Å; I33-F37 HydrophobicContact CB-CE1 4.39Å; I33-F37 HydrophobicContact CD1-CE1 4.21Å; I33-F37 HydrophobicContact CD1-CZ 4.01Å; S34-F37 WeakPolarHBondContact O-CD1 3.37Å; S34-F37 WeakPolarHBondContact O-CE1 3.2Å; T35-F37 HydrophobicContact CG2-CD1 4.15Å; T35-F37 HydrophobicContact CG2-CE1 3.79Å; T35-F37 HydrophobicContact CG2-CZ 4.2Å; F37-L39 PolarHBondContact O-N 2.87Å; F37-F169 HydrophobicContact CB-CB 4.05Å; F37-F169 HydrophobicContact CD1-CB 3.65Å; F37-F169 HydrophobicContact CD1-CD2 4.46Å; F37-F169 HydrophobicContact CD1-CG 4.29Å; F37-F169 HydrophobicContact CD2-CB 3.55Å; F37-F169 HydrophobicContact CD2-CD1 4.5Å; F37-F169 HydrophobicContact CD2-CG 4.11Å; F37-F169 HydrophobicContact CE1-CB 3.91Å; F37-F169 AromaticContact CE1-CD2 3.92Å; F37-F169 HydrophobicContact CE1-CD2 3.92Å; F37-F169 HydrophobicContact CE1-CG 4.03Å; F37-F169 HydrophobicContact CE2-CB 3.8Å; F37-F169 HydrophobicContact CE2-CD1 4.06Å; F37-F169 HydrophobicContact CE2-CD2 4.37Å; F37-F169 AromaticContact CE2-CG 3.82Å; F37-F169 HydrophobicContact CE2-CG 3.82Å; F37-F169 HydrophobicContact CG-CB 3.48Å; F37-F169 VanDerWaalsContact CG-CB 3.48Å; F37-F169 HydrophobicContact CG-CG 4.34Å; F37-F169 HydrophobicContact CZ-CB 3.98Å; F37-F169 HydrophobicContact CZ-CD1 4.32Å; F37-F169 AromaticContact CZ-CD2 3.86Å; F37-F169 HydrophobicContact CZ-CD2 3.86Å; F37-F169 HydrophobicContact CZ-CE2 4.46Å; F37-F169 AromaticContact CZ-CG 3.79Å; F37-F169 HydrophobicContact CZ-CG 3.79Å; F37-W171 AromaticContact CD2-NE1 3.83Å; F37-L198 HydrophobicContact CD2-CD1 3.82Å; F37-L198 HydrophobicContact CE2-CD1 4.28Å; F37-L198 HydrophobicContact CE2-CD2 4.46Å
38L93.7Very high91.7Very high100 Ų10063.3 Ų63.352%0.52437%0.369SS..EExtended strand (participates in β ladder)trans-60.9142.3177.3-177.264.8000109.1F169 L170 W171L38-F169 PolarHBondContact N-O 2.72Å; L38-L170 HydrophobicContact CB-CD1 3.78Å; L38-L170 HydrophobicContact CD2-CD1 3.79Å; L38-L170 HydrophobicContact CG-CD1 3.58Å; L38-L170 CarbonylContact O-C 3.54Å; L38-L170 WeakPolarHBondContact O-CA 3.43Å; L38-L170 VanDerWaalsContact O-CD1 3.32Å; L38-L170 WeakPolarHBondContact O-CD1 3.38Å; L38-W171 PolarHBondContact O-N 2.84Å
39L93.9Very high92.1Very high81 Ų8161.1 Ų61.142%0.42435%0.35SS..EExtended strand (participates in β ladder)trans-121.2130.5175.9178.5145.9000109.4Y10 F37 W171Y10-L39 HydrophobicContact CD2-CD1 4.32Å; Y10-L39 HydrophobicContact CE2-CD1 3.66Å; F37-L39 PolarHBondContact O-N 2.87Å; L39-W171 CarbonylContact C-O 3.58Å; L39-W171 WeakPolarHBondContact CA-O 3.44Å; L39-W171 HydrophobicContact CB-CB 4.4Å; L39-W171 HydrophobicContact CG-CB 4.44Å
40M93.9Very high92.3Very high18 Ų1858.4 Ų58.49%0.08932%0.322CS..EExtended strand (participates in β ladder)trans-136.6141.3-178.9-177.7-175.9-53.900110.1D44 A45 Y49 P54 V56 L170 W171 I172 N173M40-D44 HydrophobicContact CG-CB 3.67Å; M40-D44 HydrophobicContact SD-CB 4.38Å; M40-A45 HydrophobicContact CG-CB 4.38Å; M40-A45 VanDerWaalsContact SD-CA 3.53Å; M40-A45 HydrophobicContact SD-CB 3.71Å; M40-Y49 HydrophobicContact CE-CD2 4.46Å; M40-Y49 HydrophobicContact CE-CE2 3.59Å; M40-Y49 HydrophobicContact SD-CD2 4.15Å; M40-Y49 HydrophobicContact SD-CE2 3.81Å; M40-P54 HydrophobicContact SD-CG 4.32Å; M40-V56 HydrophobicContact CE-CG1 4.27Å; M40-L170 HydrophobicContact CB-CD1 3.71Å; M40-L170 HydrophobicContact CB-CD2 4.46Å; M40-L170 HydrophobicContact CB-CG 4.49Å; M40-L170 HydrophobicContact CE-CD1 4.31Å; M40-L170 HydrophobicContact CE-CD2 3.96Å; M40-L170 HydrophobicContact SD-CD2 4.38Å; M40-W171 PolarHBondContact N-O 3.47Å; M40-I172 HydrophobicContact CB-CD1 3.9Å; M40-I172 HydrophobicContact CG-CD1 4.26Å; M40-I172 CarbonylContact O-C 3.47Å; M40-I172 VanDerWaalsContact O-CA 3.25Å; M40-I172 WeakPolarHBondContact O-CA 3.32Å; M40-I172 HydrophobicContact SD-CD1 4.24Å; M40-N173 PolarHBondContact O-N 3.42Å; M40-N173 PolarHBondContact O-OD1 3.22Å
41Q93.2Very high92.6Very high87 Ų8758.5 Ų58.541%0.40732%0.323SS..EExtended strand (participates in β ladder)trans-74.8147.9174.3-57.3-167.8-11.700110.5C43 D44 A45 N173 Q174Q41-C43 PolarHBondContact O-N 3.16Å; Q41-C43 PolarHBondContact OE1-SG 3.47Å; Q41-D44 HydrophobicContact CB-CB 4.44Å; Q41-D44 WeakPolarHBondContact O-CA 3.42Å; Q41-D44 WeakPolarHBondContact O-CB 3.42Å; Q41-D44 PolarHBondContact O-N 3.17Å; Q41-A45 PolarHBondContact O-N 2.89Å; Q41-N173 VanDerWaalsContact CA-OD1 3.28Å; Q41-N173 WeakPolarHBondContact CA-OD1 3.41Å; Q41-N173 WeakPolarHBondContact CG-OD1 3.49Å; Q41-Q174 HydrophobicContact CG-CG 4.48Å
42Y91.2Very high92.6Very high58 Ų5854.9 Ų54.923%0.22731%0.308CS..Hα-helixtrans-52.4-41.7174.7173.7-90.3000112.5D44 A45 M46 D52 I172 N173 F175 P176Y42-D44 VanDerWaalsContact C-N 3.33Å; Y42-D44 PolarHBondContact O-N 3.23Å; Y42-A45 PolarHBondContact O-N 3.35Å; Y42-M46 HydrophobicContact CD1-CG 4.09Å; Y42-M46 HydrophobicContact CD2-CG 4.36Å; Y42-M46 HydrophobicContact CE1-CG 3.59Å; Y42-M46 HydrophobicContact CE2-CG 3.92Å; Y42-M46 HydrophobicContact CE2-SD 4.23Å; Y42-M46 HydrophobicContact CG-CG 4.45Å; Y42-M46 WeakPolarHBondContact O-CG 3.4Å; Y42-M46 PolarHBondContact O-N 2.69Å; Y42-D52 HydrophobicContact CD2-CB 4.17Å; Y42-D52 HydrophobicContact CE2-CB 3.82Å; Y42-I172 HydrophobicContact CD2-CG2 4.42Å; Y42-N173 PolarHBondContact N-O 2.68Å; Y42-F175 AromaticContact CD2-CD2 3.5Å; Y42-F175 HydrophobicContact CD2-CD2 3.5Å; Y42-F175 AromaticContact CD2-CE2 3.68Å; Y42-F175 HydrophobicContact CD2-CE2 3.68Å; Y42-F175 HydrophobicContact CD2-CG 4.05Å; Y42-F175 HydrophobicContact CD2-CZ 4.32Å; Y42-F175 AromaticContact CE2-CD2 3.99Å; Y42-F175 HydrophobicContact CE2-CD2 3.99Å; Y42-F175 AromaticContact CE2-CE2 3.69Å; Y42-F175 HydrophobicContact CE2-CE2 3.69Å; Y42-F175 AromaticContact CE2-CZ 3.95Å; Y42-F175 HydrophobicContact CE2-CZ 3.95Å; Y42-F175 HydrophobicContact CG-CD2 4.46Å; Y42-P176 HydrophobicContact CD1-CG 3.79Å; Y42-P176 HydrophobicContact CD2-CG 4.42Å; Y42-P176 HydrophobicContact CE1-CG 3.5Å; Y42-P176 VanDerWaalsContact CE1-CG 3.5Å; Y42-P176 HydrophobicContact CE2-CG 4.15Å; Y42-P176 HydrophobicContact CG-CG 4.24Å
43C90.7Very high92.7Very high70 Ų7057 Ų5747%0.47331%0.308SS..Hα-helixtrans-64.9-35.6177.557.50000112.7Q41 S47Q41-C43 PolarHBondContact O-N 3.16Å; Q41-C43 PolarHBondContact OE1-SG 3.47Å; C43-S47 WeakPolarHBondContact O-CB 3.41Å; C43-S47 PolarHBondContact O-N 2.77Å; C43-S47 PolarHBondContact O-OG 3Å
44D93.4Very high92.8Very high44 Ų4456 Ų5624%0.23530%0.303CS..Hα-helixtrans-67.3-43.6173-78.9-55.1000111.2M40 Q41 Y42 M46 S47 R48M40-D44 HydrophobicContact CG-CB 3.67Å; M40-D44 HydrophobicContact SD-CB 4.38Å; Q41-D44 HydrophobicContact CB-CB 4.44Å; Q41-D44 WeakPolarHBondContact O-CA 3.42Å; Q41-D44 WeakPolarHBondContact O-CB 3.42Å; Q41-D44 PolarHBondContact O-N 3.17Å; Y42-D44 VanDerWaalsContact C-N 3.33Å; Y42-D44 PolarHBondContact O-N 3.23Å; D44-M46 PolarHBondContact O-N 2.77Å; D44-S47 WeakPolarHBondContact CA-OG 3.37Å; D44-S47 PolarHBondContact O-N 3.28Å; D44-S47 PolarHBondContact O-OG 3.17Å; D44-R48 VanDerWaalsContact O-CB 3.24Å; D44-R48 WeakPolarHBondContact O-CB 3.24Å; D44-R48 VanDerWaalsContact O-CG 3.28Å; D44-R48 WeakPolarHBondContact O-CG 3.5Å; D44-R48 PolarHBondContact O-N 3.21Å; D44-R48 IonicContact OD1-CZ 2.87Å; D44-R48 IonicContact OD1-NE 3.45Å; D44-R48 PolarHBondContact OD1-NE 3.25Å; D44-R48 IonicContact OD1-NH2 3.97Å; D44-R48 PolarHBondContact OD1-NH2 2.88Å
45A93.3Very high93Very high0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-60.2-48.6177.700000111.3M40 Q41 Y42 Y49 G50 S51 P54 I172M40-A45 HydrophobicContact CG-CB 4.38Å; M40-A45 VanDerWaalsContact SD-CA 3.53Å; M40-A45 HydrophobicContact SD-CB 3.71Å; Q41-A45 PolarHBondContact O-N 2.89Å; Y42-A45 PolarHBondContact O-N 3.35Å; A45-Y49 WeakPolarHBondContact O-CA 3.5Å; A45-Y49 WeakPolarHBondContact O-CB 3.44Å; A45-Y49 PolarHBondContact O-N 3.18Å; A45-G50 PolarHBondContact O-N 2.97Å; A45-S51 CarbonylContact C-O 3.54Å; A45-S51 WeakPolarHBondContact CB-O 3.4Å; A45-P54 HydrophobicContact CB-CG 4.27Å; A45-I172 HydrophobicContact CB-CD1 3.84Å
46M93.1Very high93.3Very high38 Ų3851.4 Ų51.419%0.18727%0.27CS..Hα-helixtrans-66.2-41.7177.5-67.2-55.1-6300112.7Y42 D44 G50 D52Y42-M46 HydrophobicContact CD1-CG 4.09Å; Y42-M46 HydrophobicContact CD2-CG 4.36Å; Y42-M46 HydrophobicContact CE1-CG 3.59Å; Y42-M46 HydrophobicContact CE2-CG 3.92Å; Y42-M46 HydrophobicContact CE2-SD 4.23Å; Y42-M46 HydrophobicContact CG-CG 4.45Å; Y42-M46 WeakPolarHBondContact O-CG 3.4Å; Y42-M46 PolarHBondContact O-N 2.69Å; D44-M46 PolarHBondContact O-N 2.77Å; M46-G50 WeakPolarHBondContact O-CA 3.33Å; M46-G50 PolarHBondContact O-N 3.49Å; M46-D52 HydrophobicContact SD-CB 4.35Å; M46-D52 PolarHBondContact SD-N 3.09Å
47S93.1Very high93.3Very high67 Ų6748.9 Ų48.947%0.46925%0.246SC..Hα-helixtrans-73.2-34.9-178.258.90000113.5C43 D44C43-S47 WeakPolarHBondContact O-CB 3.41Å; C43-S47 PolarHBondContact O-N 2.77Å; C43-S47 PolarHBondContact O-OG 3Å; D44-S47 WeakPolarHBondContact CA-OG 3.37Å; D44-S47 PolarHBondContact O-N 3.28Å; D44-S47 PolarHBondContact O-OG 3.17Å
48R94.5Very high93.4Very high113 Ų11348.7 Ų48.743%0.42625%0.245SC..Hα-helixtrans-94.1-27.6-175.5-60.4179.2-165.6-165.57.9113.7D44 L61 F62D44-R48 VanDerWaalsContact O-CB 3.24Å; D44-R48 WeakPolarHBondContact O-CB 3.24Å; D44-R48 VanDerWaalsContact O-CG 3.28Å; D44-R48 WeakPolarHBondContact O-CG 3.5Å; D44-R48 PolarHBondContact O-N 3.21Å; D44-R48 IonicContact OD1-CZ 2.87Å; D44-R48 IonicContact OD1-NE 3.45Å; D44-R48 PolarHBondContact OD1-NE 3.25Å; D44-R48 IonicContact OD1-NH2 3.97Å; D44-R48 PolarHBondContact OD1-NH2 2.88Å; R48-L61 HydrophobicContact CB-CD2 4.41Å; R48-L61 CarbonylContact O-C 3.6Å; R48-L61 WeakPolarHBondContact O-CA 3.49Å; R48-F62 PolarHBondContact O-N 3.27Å
49Y95.7Very high93.3Very high26 Ų2645.8 Ų45.810%0.10224%0.24CC..Hα-helixtrans-124.7-11.2-175.5-58-91.8000113.3M40 A45 S51 P54 V56 L61 F62 V145M40-Y49 HydrophobicContact CE-CD2 4.46Å; M40-Y49 HydrophobicContact CE-CE2 3.59Å; M40-Y49 HydrophobicContact SD-CD2 4.15Å; M40-Y49 HydrophobicContact SD-CE2 3.81Å; A45-Y49 WeakPolarHBondContact O-CA 3.5Å; A45-Y49 WeakPolarHBondContact O-CB 3.44Å; A45-Y49 PolarHBondContact O-N 3.18Å; Y49-S51 PolarHBondContact O-N 3.16Å; Y49-P54 HydrophobicContact CD1-CB 3.71Å; Y49-P54 HydrophobicContact CD2-CB 3.52Å; Y49-P54 HydrophobicContact CD2-CG 4.26Å; Y49-P54 HydrophobicContact CE1-CB 4.25Å; Y49-P54 HydrophobicContact CE2-CB 4.11Å; Y49-P54 HydrophobicContact CG-CB 3.3Å; Y49-P54 HydrophobicContact CG-CG 4.47Å; Y49-V56 HydrophobicContact CE1-CG1 4.37Å; Y49-L61 HydrophobicContact CD1-CD2 4.25Å; Y49-L61 HydrophobicContact CE1-CD2 3.56Å; Y49-L61 HydrophobicContact CE2-CD2 4.13Å; Y49-L61 VanDerWaalsContact CZ-CD2 3.49Å; Y49-F62 WeakPolarHBondContact O-CE2 3.36Å; Y49-V145 WeakPolarHBondContact O-CG2 3.46Å
50G92.7Very high93.4Very high8 Ų842.7 Ų42.78%0.08222%0.223CC..SBendtrans69.49.4-175.100000114.5A45 M46 V145A45-G50 PolarHBondContact O-N 2.97Å; M46-G50 WeakPolarHBondContact O-CA 3.33Å; M46-G50 PolarHBondContact O-N 3.49Å; G50-V145 VanDerWaalsContact O-CG2 3.26Å; G50-V145 WeakPolarHBondContact O-CG2 3.49Å
51S91.4Very high93.6Very high27 Ų2745.4 Ų45.419%0.18924%0.237CC..SBendtrans-143.8146.7-175.3-177.10000111.5A45 Y49 K53A45-S51 CarbonylContact C-O 3.54Å; A45-S51 WeakPolarHBondContact CB-O 3.4Å; Y49-S51 PolarHBondContact O-N 3.16Å; S51-K53 PolarHBondContact O-N 2.99Å; S51-K53 PolarHBondContact OG-N 3.37Å; S51-K53 VanDerWaalsContact OG-N 3.09Å
52D89.7Confident93.7Very high40 Ų4041.7 Ų41.721%0.21422%0.22CC..SBendtrans-77.8-5.3170.474.9-35.8000113.1Y42 M46 P54 F175Y42-D52 HydrophobicContact CD2-CB 4.17Å; Y42-D52 HydrophobicContact CE2-CB 3.82Å; M46-D52 HydrophobicContact SD-CB 4.35Å; M46-D52 PolarHBondContact SD-N 3.09Å; D52-P54 VanDerWaalsContact C-CD 3.42Å; D52-F175 HydrophobicContact CB-CE2 3.81Å; D52-F175 WeakPolarHBondContact OD2-CE2 3.24Å
53K92.7Very high94Very high128 Ų12840.5 Ų40.556%0.55722%0.22SC*.SBendtrans-126.565174.8-64.7172.8-16466.80109S51 D55 V199S51-K53 PolarHBondContact O-N 2.99Å; S51-K53 PolarHBondContact OG-N 3.37Å; S51-K53 VanDerWaalsContact OG-N 3.09Å; K53-D55 PolarHBondContact O-N 3.15Å; K53-V199 HydrophobicContact CB-CG1 4.06Å; K53-V199 HydrophobicContact CG-CG1 4.4Å; K53-V199 HydrophobicContact CG-CG2 4.22Å
54P94.1Very high94.2Very high1 Ų142.1 Ų42.11%0.00622%0.217CC..  trans-69.6129.4-172.930.2-35.8000110.6M40 A45 Y49 D52 V56 L170 I172 C201M40-P54 HydrophobicContact SD-CG 4.32Å; A45-P54 HydrophobicContact CB-CG 4.27Å; Y49-P54 HydrophobicContact CD1-CB 3.71Å; Y49-P54 HydrophobicContact CD2-CB 3.52Å; Y49-P54 HydrophobicContact CD2-CG 4.26Å; Y49-P54 HydrophobicContact CE1-CB 4.25Å; Y49-P54 HydrophobicContact CE2-CB 4.11Å; Y49-P54 HydrophobicContact CG-CB 3.3Å; Y49-P54 HydrophobicContact CG-CG 4.47Å; D52-P54 VanDerWaalsContact C-CD 3.42Å; P54-V56 HydrophobicContact CB-CG1 4.29Å; P54-V56 HydrophobicContact CG-CG1 4.19Å; P54-V56 PolarHBondContact O-N 3.4Å; P54-V56 VanDerWaalsContact O-N 3.09Å; P54-L170 HydrophobicContact CG-CD2 3.49Å; P54-L170 VanDerWaalsContact CG-CD2 3.49Å; P54-I172 HydrophobicContact CG-CD1 4.25Å; P54-C201 PolarHBondContact O-SG 2.79Å
55D94.9Very high94.2Very high22 Ų2240 Ų4012%0.11821%0.206CC..  trans-72.999.7166.5-169.9-15.8000109.1K53 R57 F58 R148K53-D55 PolarHBondContact O-N 3.15Å; D55-R57 VanDerWaalsContact C-N 3.35Å; D55-R57 WeakPolarHBondContact OD1-CB 3.35Å; D55-R57 WeakPolarHBondContact OD1-CG 3.45Å; D55-R57 IonicContact OD1-CZ 3.52Å; D55-R57 PolarHBondContact OD1-N 3.41Å; D55-R57 VanDerWaalsContact OD1-N 3.16Å; D55-R57 IonicContact OD1-NE 3.49Å; D55-R57 PolarHBondContact OD1-NE 2.96Å; D55-R57 IonicContact OD1-NH2 2.74Å; D55-R57 IonicContact OD2-CZ 3.72Å; D55-R57 IonicContact OD2-NE 2.87Å; D55-R57 PolarHBondContact OD2-NE 3.15Å; D55-R57 IonicContact OD2-NH2 3.42Å; D55-R57 PolarHBondContact OD2-NH2 3.47Å; D55-F58 HydrophobicContact CB-CE1 3.87Å; D55-F58 WeakPolarHBondContact OD2-CE1 3.5Å; D55-R148 PolarHBondContact O-NH1 3.07Å; D55-R148 PolarHBondContact O-NH2 2.86Å
56V95.1Very high94.1Very high23 Ų2343.8 Ų43.814%0.13924%0.237CC..THydrogen-bonded Turntrans-86.8-1.3-176.9-65.20000114M40 Y49 P54 F58 H168 L170M40-V56 HydrophobicContact CE-CG1 4.27Å; Y49-V56 HydrophobicContact CE1-CG1 4.37Å; P54-V56 HydrophobicContact CB-CG1 4.29Å; P54-V56 HydrophobicContact CG-CG1 4.19Å; P54-V56 PolarHBondContact O-N 3.4Å; P54-V56 VanDerWaalsContact O-N 3.09Å; V56-F58 PolarHBondContact O-N 2.89Å; V56-H168 HydrophobicContact CG2-CB 3.8Å; V56-L170 HydrophobicContact CG1-CD2 3.78Å
57R95Very high94.1Very high61 Ų6147.6 Ų47.623%0.2326%0.261CS..THydrogen-bonded Turntrans-69.3-12.1-179.5-60.8175.9-63.8175.311.6113.3D55 Y163 E164 H168 C201D55-R57 VanDerWaalsContact C-N 3.35Å; D55-R57 WeakPolarHBondContact OD1-CB 3.35Å; D55-R57 WeakPolarHBondContact OD1-CG 3.45Å; D55-R57 IonicContact OD1-CZ 3.52Å; D55-R57 PolarHBondContact OD1-N 3.41Å; D55-R57 VanDerWaalsContact OD1-N 3.16Å; D55-R57 IonicContact OD1-NE 3.49Å; D55-R57 PolarHBondContact OD1-NE 2.96Å; D55-R57 IonicContact OD1-NH2 2.74Å; D55-R57 IonicContact OD2-CZ 3.72Å; D55-R57 IonicContact OD2-NE 2.87Å; D55-R57 PolarHBondContact OD2-NE 3.15Å; D55-R57 IonicContact OD2-NH2 3.42Å; D55-R57 PolarHBondContact OD2-NH2 3.47Å; R57-Y163 HydrophobicContact CB-CD1 4.15Å; R57-E164 WeakPolarHBondContact O-CG 3.47Å; R57-E164 PolarHBondContact O-N 3.38Å; R57-H168 HydrophobicContact CG-CB 4.17Å; R57-C201 WeakPolarHBondContact CD-OXT 3.49Å; R57-C201 HydrophobicContact CG-CB 4.03Å; R57-C201 PolarHBondContact NE-OXT 2.96Å; R57-C201 PolarHBondContact NH1-OXT 3.21Å
58F95.3Very high93.8Very high10 Ų1045.9 Ų45.94%0.04425%0.247CC..SBendtrans-145.6163.217869.2-86.3000110.6D55 V56 F60 R148 A152 I162 Y163D55-F58 HydrophobicContact CB-CE1 3.87Å; D55-F58 WeakPolarHBondContact OD2-CE1 3.5Å; V56-F58 PolarHBondContact O-N 2.89Å; F58-F60 AromaticContact CD2-CD2 3.85Å; F58-F60 HydrophobicContact CD2-CD2 3.85Å; F58-F60 HydrophobicContact CD2-CE2 4.21Å; F58-F60 HydrophobicContact CD2-CG 4.28Å; F58-F60 AromaticContact CE2-CD2 3.76Å; F58-F60 HydrophobicContact CE2-CD2 3.76Å; F58-F60 HydrophobicContact CE2-CE2 4.35Å; F58-F60 HydrophobicContact CE2-CG 4.4Å; F58-R148 HydrophobicContact CE2-CG 3.65Å; F58-R148 HydrophobicContact CZ-CG 3.96Å; F58-R148 VanDerWaalsContact CZ-NH1 3.27Å; F58-R148 PolarHBondContact O-NH2 3.01Å; F58-A152 HydrophobicContact CD1-CB 4.22Å; F58-A152 HydrophobicContact CD2-CB 4.01Å; F58-A152 HydrophobicContact CE1-CB 3.83Å; F58-A152 HydrophobicContact CE2-CB 3.6Å; F58-A152 HydrophobicContact CG-CB 4.29Å; F58-A152 HydrophobicContact CZ-CB 3.49Å; F58-A152 VanDerWaalsContact CZ-CB 3.49Å; F58-I162 HydrophobicContact CB-CD1 4.44Å; F58-I162 HydrophobicContact CB-CG1 3.75Å; F58-I162 WeakPolarHBondContact CB-O 3.38Å; F58-I162 HydrophobicContact CD2-CD1 4.31Å; F58-I162 HydrophobicContact CD2-CG1 4.49Å; F58-I162 HydrophobicContact CG-CG1 4.26Å; F58-Y163 AromaticContact CD1-CD1 3.74Å; F58-Y163 HydrophobicContact CD1-CD1 3.74Å; F58-Y163 AromaticContact CD1-CE1 3.5Å; F58-Y163 HydrophobicContact CD1-CE1 3.5Å; F58-Y163 HydrophobicContact CE1-CD1 4.37Å; F58-Y163 AromaticContact CE1-CE1 3.7Å; F58-Y163 HydrophobicContact CE1-CE1 3.7Å; F58-Y163 HydrophobicContact CG-CE1 4.46Å
59G92.4Very high93.8Very high40 Ų4041.5 Ų41.541%0.41224%0.237SC..  trans-75.1-132.2-177.900000114.4R148G59-R148 VanDerWaalsContact O-CZ 3.31Å; G59-R148 PolarHBondContact O-NE 3.43Å; G59-R148 VanDerWaalsContact O-NE 3.07Å; G59-R148 PolarHBondContact O-NH2 2.85Å
60F96.4Very high93.7Very high16 Ų1641.6 Ų41.67%0.0724%0.239CC..  trans66.256.1-176.9-49.4-15.8000112.5F58 F73 N74 I75 Y79 R148 V151 I155 I162F58-F60 AromaticContact CD2-CD2 3.85Å; F58-F60 HydrophobicContact CD2-CD2 3.85Å; F58-F60 HydrophobicContact CD2-CE2 4.21Å; F58-F60 HydrophobicContact CD2-CG 4.28Å; F58-F60 AromaticContact CE2-CD2 3.76Å; F58-F60 HydrophobicContact CE2-CD2 3.76Å; F58-F60 HydrophobicContact CE2-CE2 4.35Å; F58-F60 HydrophobicContact CE2-CG 4.4Å; F60-F73 HydrophobicContact CB-CB 4.41Å; F60-F73 HydrophobicContact CB-CD2 3.68Å; F60-F73 HydrophobicContact CB-CE2 4.21Å; F60-F73 HydrophobicContact CB-CG 4.22Å; F60-F73 HydrophobicContact CD2-CD2 4.48Å; F60-F73 HydrophobicContact CD2-CE2 4.26Å; F60-F73 HydrophobicContact CG-CD2 4.15Å; F60-F73 HydrophobicContact CG-CE2 4.39Å; F60-N74 VanDerWaalsContact CD1-O 3.3Å; F60-N74 WeakPolarHBondContact CD1-O 3.43Å; F60-I75 HydrophobicContact CE1-CG2 4.47Å; F60-I75 HydrophobicContact CZ-CG2 4.16Å; F60-Y79 AromaticContact CE1-CD2 3.85Å; F60-Y79 HydrophobicContact CE1-CD2 3.85Å; F60-Y79 AromaticContact CE1-CE2 3.87Å; F60-Y79 HydrophobicContact CE1-CE2 3.87Å; F60-Y79 AromaticContact CZ-CD2 3.62Å; F60-Y79 HydrophobicContact CZ-CD2 3.62Å; F60-Y79 AromaticContact CZ-CE2 3.82Å; F60-Y79 HydrophobicContact CZ-CE2 3.82Å; F60-R148 HydrophobicContact CB-CG 4.09Å; F60-R148 HydrophobicContact CD2-CG 4.45Å; F60-R148 WeakPolarHBondContact O-CD 3.34Å; F60-R148 PolarHBondContact O-NE 2.94Å; F60-V151 HydrophobicContact CE2-CG1 4.1Å; F60-I155 HydrophobicContact CE2-CD1 3.95Å; F60-I155 HydrophobicContact CZ-CD1 3.87Å; F60-I162 HydrophobicContact CE1-CD1 4.49Å; F60-I162 HydrophobicContact CE2-CD1 3.49Å; F60-I162 VanDerWaalsContact CE2-CD1 3.49Å; F60-I162 HydrophobicContact CZ-CD1 3.44Å; F60-I162 VanDerWaalsContact CZ-CD1 3.44Å
61L96.7Very high93.9Very high75 Ų7541.3 Ų41.339%0.39324%0.235SC..  trans-73.9145.4177.9-53.8-177.9000110.8R48 Y49 F73R48-L61 HydrophobicContact CB-CD2 4.41Å; R48-L61 CarbonylContact O-C 3.6Å; R48-L61 WeakPolarHBondContact O-CA 3.49Å; Y49-L61 HydrophobicContact CD1-CD2 4.25Å; Y49-L61 HydrophobicContact CE1-CD2 3.56Å; Y49-L61 HydrophobicContact CE2-CD2 4.13Å; Y49-L61 VanDerWaalsContact CZ-CD2 3.49Å; L61-F73 WeakPolarHBondContact O-CB 3.45Å
62F96.8Very high94.2Very high9 Ų940 Ų404%0.03923%0.226CC..EExtended strand (participates in β ladder)trans-80.4150.2179.6-65.92.4000110.5R48 Y49 T71 G72 F73 L141 L144 V145 R148R48-F62 PolarHBondContact O-N 3.27Å; Y49-F62 WeakPolarHBondContact O-CE2 3.36Å; F62-T71 HydrophobicContact CB-CG2 4.26Å; F62-T71 HydrophobicContact CD2-CG2 4.41Å; F62-G72 CarbonylContact C-O 3.55Å; F62-G72 VanDerWaalsContact CA-O 3.3Å; F62-G72 WeakPolarHBondContact CA-O 3.38Å; F62-F73 HydrophobicContact CD1-CB 3.85Å; F62-F73 AromaticContact CD1-CD1 3.83Å; F62-F73 HydrophobicContact CD1-CD1 3.83Å; F62-F73 HydrophobicContact CD1-CG 4.23Å; F62-F73 HydrophobicContact CE1-CB 4.25Å; F62-F73 AromaticContact CE1-CD1 3.42Å; F62-F73 HydrophobicContact CE1-CD1 3.42Å; F62-F73 VanDerWaalsContact CE1-CD1 3.42Å; F62-F73 HydrophobicContact CE1-CE1 4.05Å; F62-F73 HydrophobicContact CE1-CG 4.12Å; F62-F73 HydrophobicContact CZ-CD1 4.36Å; F62-L141 HydrophobicContact CD2-CD2 3.92Å; F62-L141 HydrophobicContact CE2-CD2 4.19Å; F62-L144 HydrophobicContact CD1-CD2 4.01Å; F62-L144 HydrophobicContact CD1-CG 4.4Å; F62-L144 HydrophobicContact CD2-CD2 3.7Å; F62-L144 HydrophobicContact CD2-CG 4.37Å; F62-L144 HydrophobicContact CE1-CD2 3.94Å; F62-L144 HydrophobicContact CE1-CG 3.83Å; F62-L144 HydrophobicContact CE2-CB 3.84Å; F62-L144 HydrophobicContact CE2-CD2 3.63Å; F62-L144 HydrophobicContact CE2-CG 3.8Å; F62-L144 HydrophobicContact CG-CD2 3.89Å; F62-L144 HydrophobicContact CZ-CB 3.79Å; F62-L144 HydrophobicContact CZ-CD2 3.76Å; F62-L144 HydrophobicContact CZ-CG 3.51Å; F62-V145 HydrophobicContact CE2-CG2 4.03Å; F62-V145 HydrophobicContact CZ-CG2 4.2Å; F62-R148 HydrophobicContact CE1-CB 4.12Å; F62-R148 HydrophobicContact CE1-CG 4.42Å; F62-R148 HydrophobicContact CZ-CB 4.35Å
63S96.1Very high94.6Very high33 Ų3338.1 Ų38.123%0.23122%0.216CC..EExtended strand (participates in β ladder)trans-134.5137.5165.2-67.70000108.7T71 G72 L118S63-T71 WeakPolarHBondContact O-CA 3.29Å; S63-G72 PolarHBondContact N-O 3.02Å; S63-G72 PolarHBondContact O-N 3.36Å; S63-L118 VanDerWaalsContact O-CD1 3.24Å; S63-L118 WeakPolarHBondContact O-CD1 3.37Å
64Y95.1Very high94.7Very high104 Ų10433.3 Ų33.341%0.40820%0.197SC..EExtended strand (participates in β ladder)trans-110.6124.1177.1171.8-118.5000109.9A66 H70 T71 L121 N136Y64-A66 HydrophobicContact CE1-CB 4.05Å; Y64-H70 WeakPolarHBondContact CD2-O 3.48Å; Y64-T71 WeakPolarHBondContact CD2-OG1 3.28Å; Y64-L121 WeakPolarHBondContact O-CD1 3.45Å; Y64-N136 HydrophobicContact CD1-CB 4.46Å; Y64-N136 HydrophobicContact CD2-CB 3.59Å; Y64-N136 HydrophobicContact CE1-CB 4.44Å; Y64-N136 HydrophobicContact CE2-CB 3.56Å; Y64-N136 HydrophobicContact CG-CB 4.04Å
65S93.9Very high94.9Very high0 Ų033.3 Ų33.30%020%0.196CC..EExtended strand (participates in β ladder)trans-95.8117.3168.7171.70000109.6V67 D68 G69 H70 D117S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact OG-N 3.2Å; S65-D68 PolarHBondContact OG-N 2.74Å; S65-G69 WeakPolarHBondContact O-CA 3.3Å; S65-G69 PolarHBondContact O-N 2.92Å; S65-H70 PolarHBondContact N-O 2.99Å; S65-H70 PolarHBondContact O-N 3.37Å; S65-D117 VanDerWaalsContact CB-OD2 3.24Å; S65-D117 WeakPolarHBondContact CB-OD2 3.25Å; S65-D117 WeakPolarHBondContact OG-CB 3.36Å; S65-D117 PolarHBondContact OG-OD2 3.49Å
66A91.8Very high94.9Very high79 Ų7934.1 Ų34.165%0.65320%0.203SC*.THydrogen-bonded Turntrans-71.8-23.6171.500000112.5Y64Y64-A66 HydrophobicContact CE1-CB 4.05Å
67V91.5Very high94.9Very high117 Ų11740.3 Ų40.371%0.70922%0.224SC*.THydrogen-bonded Turntrans-75-51.6179.6179.60000110.3S65 G69 D117S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact OG-N 3.2Å; V67-G69 VanDerWaalsContact C-N 3.33Å; V67-D117 HydrophobicContact CB-CB 4.11Å
68D88.8Confident94.8Very high32 Ų3243.5 Ų43.517%0.17124%0.239CC..THydrogen-bonded Turntrans-79.8-22.6179.6-59.9-26.4000111.1S65 H70 Q115 L116 D117 L118S65-D68 PolarHBondContact OG-N 2.74Å; D68-H70 VanDerWaalsContact C-N 3.32Å; D68-H70 HydrophobicContact CB-CB 4.47Å; D68-H70 WeakPolarHBondContact CB-ND1 3.13Å; D68-H70 PolarHBondContact O-CE1 2.92Å; D68-H70 PolarHBondContact O-ND1 2.65Å; D68-Q115 VanDerWaalsContact OD2-CA 3.24Å; D68-Q115 WeakPolarHBondContact OD2-CA 3.44Å; D68-L116 PolarHBondContact OD2-N 3.27Å; D68-D117 WeakPolarHBondContact OD2-CA 3.43Å; D68-D117 WeakPolarHBondContact OD2-CB 3.25Å; D68-D117 PolarHBondContact OD2-N 2.8Å; D68-L118 PolarHBondContact OD2-N 2.93Å
69G93.2Very high94.8Very high21 Ų2144.1 Ų44.122%0.21624%0.241CC..THydrogen-bonded Turntrans67.732.8-173.300000112.2S65 V67 G135S65-G69 WeakPolarHBondContact O-CA 3.3Å; S65-G69 PolarHBondContact O-N 2.92Å; V67-G69 VanDerWaalsContact C-N 3.33Å; G69-G135 PolarHBondContact O-N 3.29Å
70H94.9Very high94.8Very high28 Ų2842.8 Ų42.813%0.1323%0.226CC..EExtended strand (participates in β ladder)trans-122.4145-179.1-62.994.7000111.1Y64 S65 D68 L118 F132 I133Y64-H70 WeakPolarHBondContact CD2-O 3.48Å; S65-H70 PolarHBondContact N-O 2.99Å; S65-H70 PolarHBondContact O-N 3.37Å; D68-H70 VanDerWaalsContact C-N 3.32Å; D68-H70 HydrophobicContact CB-CB 4.47Å; D68-H70 WeakPolarHBondContact CB-ND1 3.13Å; D68-H70 PolarHBondContact O-CE1 2.92Å; D68-H70 PolarHBondContact O-ND1 2.65Å; H70-L118 HydrophobicContact CB-CD2 3.84Å; H70-F132 HydrophobicContact CB-CD2 4.21Å; H70-F132 AromaticContact CD2-CD2 3.57Å; H70-F132 AromaticContact CD2-CE2 3.65Å; H70-I133 CarbonylContact C-O 3.59Å; H70-I133 VanDerWaalsContact CA-O 3.3Å; H70-I133 WeakPolarHBondContact CA-O 3.29Å
71T96.3Very high94.6Very high2 Ų246 Ų461%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-117.2136170.2-50.10000108.7F62 S63 Y64 F132 I133 G135 N136 L141 L144F62-T71 HydrophobicContact CB-CG2 4.26Å; F62-T71 HydrophobicContact CD2-CG2 4.41Å; S63-T71 WeakPolarHBondContact O-CA 3.29Å; Y64-T71 WeakPolarHBondContact CD2-OG1 3.28Å; T71-F132 CarbonylContact O-C 3.51Å; T71-F132 VanDerWaalsContact O-CA 3.23Å; T71-F132 WeakPolarHBondContact O-CA 3.31Å; T71-F132 WeakPolarHBondContact O-CB 3.46Å; T71-I133 PolarHBondContact N-O 3.42Å; T71-I133 PolarHBondContact O-N 2.96Å; T71-G135 WeakPolarHBondContact CB-O 3.04Å; T71-G135 PolarHBondContact OG1-O 2.99Å; T71-N136 WeakPolarHBondContact OG1-CB 3.32Å; T71-L141 HydrophobicContact CG2-CD2 4.09Å; T71-L144 HydrophobicContact CG2-CD2 3.75Å
72G97Very high94.5Very high0 Ų046.1 Ų46.10%025%0.251CS..EExtended strand (participates in β ladder)trans-160.5177179.900000113.4F62 S63 V131F62-G72 CarbonylContact C-O 3.55Å; F62-G72 VanDerWaalsContact CA-O 3.3Å; F62-G72 WeakPolarHBondContact CA-O 3.38Å; S63-G72 PolarHBondContact N-O 3.02Å; S63-G72 PolarHBondContact O-N 3.36Å; G72-V131 CarbonylContact C-O 3.58Å; G72-V131 WeakPolarHBondContact CA-O 3.36Å
73F97.6Very high94.4Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-138.7161.1173.563.4-92.9000111.4F60 L61 F62 I75 V131 L144 A147 R148F60-F73 HydrophobicContact CB-CB 4.41Å; F60-F73 HydrophobicContact CB-CD2 3.68Å; F60-F73 HydrophobicContact CB-CE2 4.21Å; F60-F73 HydrophobicContact CB-CG 4.22Å; F60-F73 HydrophobicContact CD2-CD2 4.48Å; F60-F73 HydrophobicContact CD2-CE2 4.26Å; F60-F73 HydrophobicContact CG-CD2 4.15Å; F60-F73 HydrophobicContact CG-CE2 4.39Å; L61-F73 WeakPolarHBondContact O-CB 3.45Å; F62-F73 HydrophobicContact CD1-CB 3.85Å; F62-F73 AromaticContact CD1-CD1 3.83Å; F62-F73 HydrophobicContact CD1-CD1 3.83Å; F62-F73 HydrophobicContact CD1-CG 4.23Å; F62-F73 HydrophobicContact CE1-CB 4.25Å; F62-F73 AromaticContact CE1-CD1 3.42Å; F62-F73 HydrophobicContact CE1-CD1 3.42Å; F62-F73 VanDerWaalsContact CE1-CD1 3.42Å; F62-F73 HydrophobicContact CE1-CE1 4.05Å; F62-F73 HydrophobicContact CE1-CG 4.12Å; F62-F73 HydrophobicContact CZ-CD1 4.36Å; F73-I75 HydrophobicContact CD2-CG1 4.08Å; F73-I75 HydrophobicContact CE2-CD1 4.02Å; F73-I75 HydrophobicContact CE2-CG1 3.7Å; F73-V131 HydrophobicContact CD1-CB 4.31Å; F73-V131 HydrophobicContact CD2-CB 4.43Å; F73-V131 HydrophobicContact CE1-CB 3.82Å; F73-V131 HydrophobicContact CE1-CG1 3.9Å; F73-V131 HydrophobicContact CE2-CB 3.97Å; F73-V131 HydrophobicContact CE2-CG2 3.93Å; F73-V131 HydrophobicContact CZ-CB 3.64Å; F73-V131 HydrophobicContact CZ-CG1 3.92Å; F73-V131 HydrophobicContact CZ-CG2 3.86Å; F73-V131 PolarHBondContact N-O 2.73Å; F73-V131 PolarHBondContact O-N 3.32Å; F73-L144 HydrophobicContact CD1-CD1 3.81Å; F73-L144 HydrophobicContact CD1-CD2 4.32Å; F73-L144 HydrophobicContact CD1-CG 3.85Å; F73-L144 HydrophobicContact CE1-CD1 3.68Å; F73-L144 HydrophobicContact CE1-CG 3.93Å; F73-A147 HydrophobicContact CE1-CB 4.45Å; F73-R148 HydrophobicContact CD1-CB 4.46Å; F73-R148 HydrophobicContact CE1-CB 3.85Å; F73-R148 HydrophobicContact CZ-CB 3.93Å
74N96.4Very high94.3Very high27 Ų2747.6 Ų47.614%0.14426%0.261CS..EExtended strand (participates in β ladder)trans-101.9136.9179.4-174.242.5000111.7F60 P124 D128 L129F60-N74 VanDerWaalsContact CD1-O 3.3Å; F60-N74 WeakPolarHBondContact CD1-O 3.43Å; N74-P124 HydrophobicContact CB-CB 4.42Å; N74-P124 VanDerWaalsContact OD1-CB 3.31Å; N74-P124 WeakPolarHBondContact OD1-CB 3.42Å; N74-D128 PolarHBondContact ND2-OD2 2.94Å; N74-D128 WeakPolarHBondContact OD1-CB 3.35Å; N74-L129 PolarHBondContact OD1-O 3.06Å
75I96.9Very high94.2Very high0 Ų046.9 Ų46.90%028%0.277CS..EExtended strand (participates in β ladder)trans-109.8108.8171-56164.2000107.5F60 F73 Y79 D128 L129 V131 V151 I155F60-I75 HydrophobicContact CE1-CG2 4.47Å; F60-I75 HydrophobicContact CZ-CG2 4.16Å; F73-I75 HydrophobicContact CD2-CG1 4.08Å; F73-I75 HydrophobicContact CE2-CD1 4.02Å; F73-I75 HydrophobicContact CE2-CG1 3.7Å; I75-Y79 HydrophobicContact CG2-CD2 4.47Å; I75-D128 WeakPolarHBondContact O-CA 3.47Å; I75-D128 WeakPolarHBondContact O-CB 3.23Å; I75-L129 HydrophobicContact CB-CB 4.17Å; I75-L129 HydrophobicContact CD1-CB 4.25Å; I75-L129 PolarHBondContact N-O 2.78Å; I75-L129 PolarHBondContact O-N 3.4Å; I75-V131 HydrophobicContact CD1-CG2 3.59Å; I75-V131 HydrophobicContact CG1-CG2 4.41Å; I75-V151 HydrophobicContact CD1-CG1 3.69Å; I75-V151 HydrophobicContact CD1-CG2 4.29Å; I75-V151 HydrophobicContact CG1-CG1 4.25Å; I75-I155 HydrophobicContact CG2-CD1 4.33Å
76P95.7Very high94.2Very high39 Ų3954.3 Ų54.325%0.25331%0.312SS..  trans-58.2151.5-179.3-27.736.8000114K78 Y79 S80 D128P76-K78 HydrophobicContact CB-CG 3.98Å; P76-K78 PolarHBondContact O-N 2.71Å; P76-Y79 PolarHBondContact O-N 2.82Å; P76-S80 PolarHBondContact O-N 3.19Å; P76-S80 VanDerWaalsContact O-N 3.15Å; P76-D128 WeakPolarHBondContact CA-OD1 3.18Å
77R94.5Very high94.4Very high154 Ų15451.6 Ų51.658%0.58129%0.286SS*.Hα-helixtrans-52.4-33.4-177.6-173.7178.1175.2179.8-2.8114.7Y79 S80 S81 C126 D128R77-Y79 PolarHBondContact O-N 2.63Å; R77-Y79 VanDerWaalsContact O-N 3.12Å; R77-S80 VanDerWaalsContact CA-OG 3.28Å; R77-S80 WeakPolarHBondContact CA-OG 3.35Å; R77-S80 PolarHBondContact O-N 3.18Å; R77-S80 PolarHBondContact O-OG 3.4Å; R77-S81 PolarHBondContact O-N 3.4Å; R77-S81 PolarHBondContact O-OG 3.12Å; R77-C126 WeakPolarHBondContact CD-O 3.44Å; R77-D128 WeakPolarHBondContact CB-OD1 3.42Å; R77-D128 PolarHBondContact N-OD1 3.05Å
78K93.4Very high94.6Very high127 Ų12747.4 Ų47.455%0.55226%0.26SS*.Hα-helixtrans-54.6-29.317657.2161.3169.5169.50112.9P76P76-K78 HydrophobicContact CB-CG 3.98Å; P76-K78 PolarHBondContact O-N 2.71Å
79Y95.8Very high95Very high23 Ų2347.2 Ų47.29%0.0927%0.265CS..Hα-helixtrans-101.5-42.6177.7-53.8-49.8000111.9F60 I75 P76 R77 S81 N82 I155 L160 I162F60-Y79 AromaticContact CE1-CD2 3.85Å; F60-Y79 HydrophobicContact CE1-CD2 3.85Å; F60-Y79 AromaticContact CE1-CE2 3.87Å; F60-Y79 HydrophobicContact CE1-CE2 3.87Å; F60-Y79 AromaticContact CZ-CD2 3.62Å; F60-Y79 HydrophobicContact CZ-CD2 3.62Å; F60-Y79 AromaticContact CZ-CE2 3.82Å; F60-Y79 HydrophobicContact CZ-CE2 3.82Å; I75-Y79 HydrophobicContact CG2-CD2 4.47Å; P76-Y79 PolarHBondContact O-N 2.82Å; R77-Y79 PolarHBondContact O-N 2.63Å; R77-Y79 VanDerWaalsContact O-N 3.12Å; Y79-S81 PolarHBondContact O-N 3.15Å; Y79-N82 PolarHBondContact O-N 2.89Å; Y79-I155 HydrophobicContact CD1-CG2 3.53Å; Y79-I155 HydrophobicContact CD2-CD1 4.26Å; Y79-I155 HydrophobicContact CE1-CG2 4.05Å; Y79-I155 HydrophobicContact CG-CD1 3.93Å; Y79-I155 HydrophobicContact CG-CG2 4.01Å; Y79-L160 HydrophobicContact CD1-CB 4.42Å; Y79-L160 HydrophobicContact CD1-CD1 4.17Å; Y79-I162 HydrophobicContact CE1-CB 4.46Å; Y79-I162 HydrophobicContact CE2-CD1 4.25Å; Y79-I162 HydrophobicContact CE2-CG1 4.47Å
80S92.7Very high95.2Very high13 Ų1349.2 Ų49.29%0.09128%0.276CS..Hα-helixtrans-59.2-32.7-175.869.40000113.8P76 R77 N82 L83 G127 L129P76-S80 PolarHBondContact O-N 3.19Å; P76-S80 VanDerWaalsContact O-N 3.15Å; R77-S80 VanDerWaalsContact CA-OG 3.28Å; R77-S80 WeakPolarHBondContact CA-OG 3.35Å; R77-S80 PolarHBondContact O-N 3.18Å; R77-S80 PolarHBondContact O-OG 3.4Å; S80-N82 PolarHBondContact O-N 2.76Å; S80-N82 VanDerWaalsContact O-N 3.15Å; S80-L83 PolarHBondContact O-N 2.88Å; S80-G127 PolarHBondContact OG-O 2.69Å; S80-L129 VanDerWaalsContact CB-CD1 3.46Å
81S91.8Very high95.3Very high83 Ų8348.3 Ų48.358%0.5827%0.272SS*.THydrogen-bonded Turntrans-61.5-19.8178.448.70000114.4R77 Y79R77-S81 PolarHBondContact O-N 3.4Å; R77-S81 PolarHBondContact O-OG 3.12Å; Y79-S81 PolarHBondContact O-N 3.15Å
82N93.7Very high95.3Very high78 Ų7851.3 Ų51.342%0.41729%0.286SS..THydrogen-bonded Turntrans-101.42.1178.2-68.1-85.6000112.9Y79 S80 L160Y79-N82 PolarHBondContact O-N 2.89Å; S80-N82 PolarHBondContact O-N 2.76Å; S80-N82 VanDerWaalsContact O-N 3.15Å; N82-L160 HydrophobicContact CB-CD1 3.81Å
83L94.3Very high95.3Very high19 Ų1955.2 Ų55.210%0.09931%0.306CS..  trans-99.4118.4178.2-62.4177.7000109.7S80 L88 L129 L154 I155S80-L83 PolarHBondContact O-N 2.88Å; L83-L88 HydrophobicContact CB-CD2 4.28Å; L83-L88 HydrophobicContact CD1-CD2 4.3Å; L83-L129 HydrophobicContact CD1-CD1 4.11Å; L83-L154 HydrophobicContact CD2-CD2 3.52Å; L83-L154 HydrophobicContact CD2-CG 3.93Å; L83-I155 HydrophobicContact CD1-CG1 4.44Å; L83-I155 HydrophobicContact CD2-CG1 4.27Å
84S94Very high95.3Very high54 Ų5457.2 Ų57.238%0.37832%0.317SS..  trans-81.8166.1176.970.30000112.1E86 D87 L88S84-E86 PolarHBondContact O-N 2.76Å; S84-D87 WeakPolarHBondContact CB-OD2 3.27Å; S84-D87 PolarHBondContact N-OD2 3.42Å; S84-D87 WeakPolarHBondContact O-CB 3.24Å; S84-D87 PolarHBondContact O-N 3.07Å; S84-D87 PolarHBondContact OG-N 3.21Å; S84-D87 PolarHBondContact OG-OD2 3.11Å; S84-L88 WeakPolarHBondContact O-CG 3.29Å; S84-L88 PolarHBondContact O-N 3.19Å; S84-L88 VanDerWaalsContact O-N 3.14Å
85A93.4Very high95.4Very high89 Ų8955.9 Ų55.974%0.73631%0.31SS*.Hα-helixtrans-61.9-32.2174.200000112.7L88 G89A85-L88 PolarHBondContact O-N 3.24Å; A85-G89 PolarHBondContact O-N 2.98Å
86E95.1Very high95.4Very high156 Ų15659.5 Ų59.573%0.72933%0.326SS*.Hα-helixtrans-67.1-41.3175.6-178.4177-173.300111.6S84 L88 G89 S90S84-E86 PolarHBondContact O-N 2.76Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 3.28Å; E86-G89 PolarHBondContact O-N 2.84Å; E86-S90 VanDerWaalsContact O-CB 3.27Å; E86-S90 WeakPolarHBondContact O-CB 3.28Å; E86-S90 PolarHBondContact O-N 2.88Å; E86-S90 PolarHBondContact O-OG 3.09Å
87D96.1Very high95.5Very high22 Ų2265.7 Ų65.712%0.11834%0.344CS..Hα-helixtrans-59.8-45.7175.3-69.8-51000111.1S84 S90 L91 L154 K158S84-D87 WeakPolarHBondContact CB-OD2 3.27Å; S84-D87 PolarHBondContact N-OD2 3.42Å; S84-D87 WeakPolarHBondContact O-CB 3.24Å; S84-D87 PolarHBondContact O-N 3.07Å; S84-D87 PolarHBondContact OG-N 3.21Å; S84-D87 PolarHBondContact OG-OD2 3.11Å; D87-S90 PolarHBondContact O-N 3.04Å; D87-L91 PolarHBondContact O-N 3.15Å; D87-L154 HydrophobicContact CB-CD2 3.75Å; D87-K158 IonicContact OD1-NZ 3.74Å; D87-K158 PolarHBondContact OD1-NZ 3.16Å; D87-K158 IonicContact OD2-NZ 2.92Å; D87-K158 PolarHBondContact OD2-NZ 3.44Å
88L95.9Very high95.6Very high29 Ų2963.9 Ų63.915%0.15235%0.345CS..Hα-helixtrans-68-42.6179-61.2-177.2000112.1L83 S84 A85 E86 S90 L91 E92 I105 L129L83-L88 HydrophobicContact CB-CD2 4.28Å; L83-L88 HydrophobicContact CD1-CD2 4.3Å; S84-L88 WeakPolarHBondContact O-CG 3.29Å; S84-L88 PolarHBondContact O-N 3.19Å; S84-L88 VanDerWaalsContact O-N 3.14Å; A85-L88 PolarHBondContact O-N 3.24Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 3.28Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-S90 PolarHBondContact O-N 3.25Å; L88-L91 WeakPolarHBondContact O-CB 3.43Å; L88-L91 PolarHBondContact O-N 3.48Å; L88-E92 WeakPolarHBondContact O-CG 3.39Å; L88-E92 PolarHBondContact O-N 2.65Å; L88-I105 HydrophobicContact CB-CD1 4.32Å; L88-I105 HydrophobicContact CD1-CG2 4.16Å; L88-I105 HydrophobicContact CD2-CD1 4.21Å; L88-I105 HydrophobicContact CD2-CG2 4.3Å; L88-L129 HydrophobicContact CD1-CD1 4.09Å; L88-L129 HydrophobicContact CD1-CD2 4.28Å; L88-L129 HydrophobicContact CD2-CD1 4.11Å
89G96.8Very high95.7Very high28 Ų2859.3 Ų59.329%0.28933%0.328SS..Hα-helixtrans-63-41.3175.500000112.3A85 E86 L91 E92 D93A85-G89 PolarHBondContact O-N 2.98Å; E86-G89 PolarHBondContact O-N 2.84Å; G89-L91 VanDerWaalsContact C-N 3.28Å; G89-L91 PolarHBondContact O-N 3.21Å; G89-E92 PolarHBondContact O-N 2.89Å; G89-D93 WeakPolarHBondContact O-CB 3.43Å; G89-D93 PolarHBondContact O-N 3.14Å
90S96.5Very high95.6Very high63 Ų6360.4 Ų60.444%0.44135%0.347SS..Hα-helixtrans-61.4-38.4175.9-62.50000112.1E86 D87 L88 L94E86-S90 VanDerWaalsContact O-CB 3.27Å; E86-S90 WeakPolarHBondContact O-CB 3.28Å; E86-S90 PolarHBondContact O-N 2.88Å; E86-S90 PolarHBondContact O-OG 3.09Å; D87-S90 PolarHBondContact O-N 3.04Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-S90 PolarHBondContact O-N 3.25Å; S90-L94 WeakPolarHBondContact O-CB 3.48Å; S90-L94 PolarHBondContact O-N 3.41Å
91L96.8Very high95.8Very high9 Ų962.5 Ų62.55%0.04736%0.355CS..Hα-helixtrans-66.2-48.4175.2178.673.5000112D87 L88 G89 D93 L94 V95 I103 I105 E150 V151D87-L91 PolarHBondContact O-N 3.15Å; L88-L91 WeakPolarHBondContact O-CB 3.43Å; L88-L91 PolarHBondContact O-N 3.48Å; G89-L91 VanDerWaalsContact C-N 3.28Å; G89-L91 PolarHBondContact O-N 3.21Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 3.23Å; L91-L94 PolarHBondContact O-N 2.93Å; L91-V95 HydrophobicContact CD1-CG2 4.37Å; L91-V95 WeakPolarHBondContact O-CG2 3.43Å; L91-V95 PolarHBondContact O-N 2.77Å; L91-I103 HydrophobicContact CD2-CD1 4.35Å; L91-I103 HydrophobicContact CG-CD1 4.28Å; L91-I105 HydrophobicContact CD2-CD1 3.72Å; L91-E150 HydrophobicContact CD1-CB 3.68Å; L91-V151 HydrophobicContact CD1-CG2 4.04Å; L91-V151 HydrophobicContact CD2-CG2 3.17Å; L91-V151 HydrophobicContact CG-CG2 4.23Å
92E97.3Very high96Very high64 Ų6466 Ų6630%0.29936%0.355SS..Hα-helixtrans-57.6-45.3177.3-70-172.2164.200111.1L88 G89 F96 I103 I105L88-E92 WeakPolarHBondContact O-CG 3.39Å; L88-E92 PolarHBondContact O-N 2.65Å; G89-E92 PolarHBondContact O-N 2.89Å; E92-F96 WeakPolarHBondContact O-CB 3.28Å; E92-F96 PolarHBondContact O-N 3.06Å; E92-I103 HydrophobicContact CG-CD1 4.41Å; E92-I103 HydrophobicContact CG-CG1 4.12Å; E92-I105 HydrophobicContact CG-CD1 3.83Å; E92-I105 HydrophobicContact CG-CG1 4.18Å; E92-I105 PolarHBondContact OE1-N 3.21Å
93D97.6Very high96.1Very high82 Ų8262.5 Ų62.544%0.43934%0.337SS..Hα-helixtrans-64.7-42177.3-79.2-17.7000112.3G89 L91 F96 R97G89-D93 WeakPolarHBondContact O-CB 3.43Å; G89-D93 PolarHBondContact O-N 3.14Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 3.23Å; D93-F96 PolarHBondContact O-N 3.47Å; D93-R97 WeakPolarHBondContact O-CB 3.42Å; D93-R97 VanDerWaalsContact O-CG 3.23Å; D93-R97 WeakPolarHBondContact O-CG 3.18Å; D93-R97 PolarHBondContact O-N 3.33Å
94L97.4Very high96.2Very high42 Ų4264.2 Ų64.222%0.2235%0.35CS..Hα-helixtrans-62.4-48.1178.7-179.3156.4000111.2S90 L91 F96 R97 L98 M146 E150S90-L94 WeakPolarHBondContact O-CB 3.48Å; S90-L94 PolarHBondContact O-N 3.41Å; L91-L94 PolarHBondContact O-N 2.93Å; L94-F96 VanDerWaalsContact C-N 3.35Å; L94-R97 PolarHBondContact O-N 3.5Å; L94-L98 HydrophobicContact CD2-CD1 3.85Å; L94-L98 HydrophobicContact CG-CD1 4.06Å; L94-L98 WeakPolarHBondContact O-CG 3.25Å; L94-L98 PolarHBondContact O-N 2.91Å; L94-L98 VanDerWaalsContact O-N 3.13Å; L94-M146 HydrophobicContact CD2-CE 3.87Å; L94-M146 HydrophobicContact CD2-CG 4.36Å; L94-M146 HydrophobicContact CD2-SD 4.17Å; L94-E150 HydrophobicContact CD2-CG 3.96Å
95V97.7Very high96.2Very high0 Ų063 Ų630%034%0.339CS..Hα-helixtrans-63.4-43.9179174.60000110.3L91 L98 T99 I103 A143 M146 A147L91-V95 HydrophobicContact CD1-CG2 4.37Å; L91-V95 WeakPolarHBondContact O-CG2 3.43Å; L91-V95 PolarHBondContact O-N 2.77Å; V95-L98 PolarHBondContact O-N 3.43Å; V95-T99 WeakPolarHBondContact O-CB 3.36Å; V95-T99 PolarHBondContact O-N 2.87Å; V95-T99 PolarHBondContact O-OG1 3.06Å; V95-I103 HydrophobicContact CB-CD1 4.28Å; V95-I103 HydrophobicContact CB-CG1 4.45Å; V95-I103 HydrophobicContact CG1-CG1 4.44Å; V95-I103 HydrophobicContact CG1-CG2 3.94Å; V95-I103 HydrophobicContact CG2-CD1 4.05Å; V95-A143 HydrophobicContact CG1-CB 3.87Å; V95-M146 HydrophobicContact CG2-CG 4.35Å; V95-A147 HydrophobicContact CG2-CB 3.94Å
96F97.5Very high96.1Very high76 Ų7660.2 Ų60.233%0.33331%0.311SS..Hα-helixtrans-62-45.3177.1-179.8-110.1000112.5E92 D93 L94 L98 G100 Q101 R102E92-F96 WeakPolarHBondContact O-CB 3.28Å; E92-F96 PolarHBondContact O-N 3.06Å; D93-F96 PolarHBondContact O-N 3.47Å; L94-F96 VanDerWaalsContact C-N 3.35Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.2Å; F96-G100 WeakPolarHBondContact CE2-O 3.44Å; F96-G100 WeakPolarHBondContact O-CA 3.49Å; F96-G100 PolarHBondContact O-N 2.87Å; F96-Q101 VanDerWaalsContact CA-O 3.28Å; F96-Q101 WeakPolarHBondContact CA-O 3.35Å; F96-R102 HydrophobicContact CD2-CG 3.51Å; F96-R102 HydrophobicContact CE2-CG 3.94Å; F96-R102 HydrophobicContact CG-CG 4.27Å
97R97.3Very high95.9Very high169 Ų16955 Ų5564%0.63829%0.29SS*.Hα-helixtrans-60.4-38.6178.4-76.7-172.6-54.9-109.81.2112.9D93 L94D93-R97 WeakPolarHBondContact O-CB 3.42Å; D93-R97 VanDerWaalsContact O-CG 3.23Å; D93-R97 WeakPolarHBondContact O-CG 3.18Å; D93-R97 PolarHBondContact O-N 3.33Å; L94-R97 PolarHBondContact O-N 3.5Å
98L96.4Very high95.3Very high115 Ų11555 Ų5560%0.60229%0.29SS*.Hα-helixtrans-93.4-22.4-171.2-66.8171.2000113.6L94 V95 F96 M146L94-L98 HydrophobicContact CD2-CD1 3.85Å; L94-L98 HydrophobicContact CG-CD1 4.06Å; L94-L98 WeakPolarHBondContact O-CG 3.25Å; L94-L98 PolarHBondContact O-N 2.91Å; L94-L98 VanDerWaalsContact O-N 3.13Å; V95-L98 PolarHBondContact O-N 3.43Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.2Å; L98-M146 HydrophobicContact CB-CE 3.94Å; L98-M146 HydrophobicContact CB-SD 3.82Å; L98-M146 HydrophobicContact CD1-CE 3.21Å; L98-M146 HydrophobicContact CD1-SD 4.12Å; L98-M146 HydrophobicContact CG-CE 4.16Å
99T94.8Very high94.5Very high32 Ų3260 Ų6020%0.19631%0.313CS..Hα-helixtrans-120.5-14.9-176.670.70000114.1V95 Q101 A143 M146V95-T99 WeakPolarHBondContact O-CB 3.36Å; V95-T99 PolarHBondContact O-N 2.87Å; V95-T99 PolarHBondContact O-OG1 3.06Å; T99-Q101 PolarHBondContact O-N 2.84Å; T99-Q101 PolarHBondContact OG1-N 2.77Å; T99-A143 HydrophobicContact CG2-CB 4.17Å; T99-A143 WeakPolarHBondContact OG1-CB 3.48Å; T99-M146 HydrophobicContact CG2-SD 3.91Å
100G95.4Very high93.3Very high46 Ų4664.4 Ų64.447%0.47433%0.329SS..SBendtrans71.3-0.7-170.900000113.9F96F96-G100 WeakPolarHBondContact CE2-O 3.44Å; F96-G100 WeakPolarHBondContact O-CA 3.49Å; F96-G100 PolarHBondContact O-N 2.87Å
101Q96.4Very high92.1Very high57 Ų5765.8 Ų65.827%0.26633%0.331SS..  trans-98.1143.5-178.1-61.7-56-40.400111.7F96 T99 I133 I139 A143F96-Q101 VanDerWaalsContact CA-O 3.28Å; F96-Q101 WeakPolarHBondContact CA-O 3.35Å; T99-Q101 PolarHBondContact O-N 2.84Å; T99-Q101 PolarHBondContact OG1-N 2.77Å; Q101-I133 HydrophobicContact CB-CD1 3.75Å; Q101-I133 HydrophobicContact CG-CD1 4.29Å; Q101-I139 HydrophobicContact CG-CG2 3.75Å; Q101-I139 VanDerWaalsContact NE2-CG2 3.28Å; Q101-A143 HydrophobicContact CB-CB 3.61Å; Q101-A143 HydrophobicContact CG-CB 4.01Å
102R95.4Very high90.8Very high155 Ų15572.3 Ų72.359%0.58536%0.359SS*.  trans-100.6115.1174.7-69.6-171.6173.4-82.8-3.7109.9F96F96-R102 HydrophobicContact CD2-CG 3.51Å; F96-R102 HydrophobicContact CE2-CG 3.94Å; F96-R102 HydrophobicContact CG-CG 4.27Å
103I97Very high89.5Confident6 Ų674.1 Ų74.13%0.03138%0.378CS..  trans-81.3162.5164.661.1169.9000109.3L91 E92 V95 I105 V131 I133 A147L91-I103 HydrophobicContact CD2-CD1 4.35Å; L91-I103 HydrophobicContact CG-CD1 4.28Å; E92-I103 HydrophobicContact CG-CD1 4.41Å; E92-I103 HydrophobicContact CG-CG1 4.12Å; V95-I103 HydrophobicContact CB-CD1 4.28Å; V95-I103 HydrophobicContact CB-CG1 4.45Å; V95-I103 HydrophobicContact CG1-CG1 4.44Å; V95-I103 HydrophobicContact CG1-CG2 3.94Å; V95-I103 HydrophobicContact CG2-CD1 4.05Å; I103-I105 HydrophobicContact CD1-CD1 4.21Å; I103-I105 HydrophobicContact CD1-CG1 4.4Å; I103-V131 HydrophobicContact CB-CG1 4.39Å; I103-V131 HydrophobicContact CD1-CG1 3.99Å; I103-I133 HydrophobicContact CG2-CB 4.46Å; I103-I133 HydrophobicContact CG2-CD1 4.42Å; I103-A147 HydrophobicContact CD1-CB 3.76Å
104S94.7Very high88.9Confident55 Ų5575.5 Ų75.539%0.38539%0.386SS..EExtended strand (participates in β ladder)trans-129.6136.4173.4-70.40000109.2F132S104-F132 PolarHBondContact N-O 3.31Å; S104-F132 WeakPolarHBondContact O-CD1 3.42Å; S104-F132 WeakPolarHBondContact O-CE1 3.35Å; S104-F132 PolarHBondContact O-N 3.38Å
105I94.5Very high88.3Confident28 Ų2874.3 Ų74.314%0.14438%0.379CS..EExtended strand (participates in β ladder)trans-122132-177.8-48.6177.5000108.9L88 L91 E92 I103 L129 V130 V131L88-I105 HydrophobicContact CB-CD1 4.32Å; L88-I105 HydrophobicContact CD1-CG2 4.16Å; L88-I105 HydrophobicContact CD2-CD1 4.21Å; L88-I105 HydrophobicContact CD2-CG2 4.3Å; L91-I105 HydrophobicContact CD2-CD1 3.72Å; E92-I105 HydrophobicContact CG-CD1 3.83Å; E92-I105 HydrophobicContact CG-CG1 4.18Å; E92-I105 PolarHBondContact OE1-N 3.21Å; I103-I105 HydrophobicContact CD1-CD1 4.21Å; I103-I105 HydrophobicContact CD1-CG1 4.4Å; I105-L129 HydrophobicContact CG2-CB 4.47Å; I105-L129 HydrophobicContact CG2-CD2 4.28Å; I105-V130 WeakPolarHBondContact CA-O 3.24Å; I105-V131 HydrophobicContact CD1-CG2 4.39Å; I105-V131 HydrophobicContact CG1-CG1 4.26Å; I105-V131 HydrophobicContact CG1-CG2 4.09Å; I105-V131 HydrophobicContact CG2-CG2 4.16Å
106F90.8Very high87.9Confident31 Ų3179 Ų7914%0.13640%0.404CS..EExtended strand (participates in β ladder)trans-145.8154.2172.570.7-76.5000112L119 L129 V130 F132F106-L119 HydrophobicContact CE2-CD1 4.38Å; F106-L119 HydrophobicContact CE2-CD2 4.25Å; F106-L119 HydrophobicContact CZ-CD1 4.2Å; F106-L119 HydrophobicContact CZ-CD2 3.84Å; F106-L119 HydrophobicContact CZ-CG 4.34Å; F106-L129 WeakPolarHBondContact O-CA 3.47Å; F106-V130 HydrophobicContact CD1-CB 4.18Å; F106-V130 HydrophobicContact CE1-CB 3.71Å; F106-V130 HydrophobicContact CE1-CG1 3.8Å; F106-V130 HydrophobicContact CZ-CB 3.92Å; F106-V130 HydrophobicContact CZ-CG1 4.15Å; F106-V130 HydrophobicContact CZ-CG2 4.37Å; F106-V130 PolarHBondContact N-O 2.99Å; F106-V130 VanDerWaalsContact N-O 3.1Å; F106-V130 PolarHBondContact O-N 2.94Å; F106-F132 AromaticContact CD1-CD1 3.88Å; F106-F132 HydrophobicContact CD1-CD1 3.88Å; F106-F132 AromaticContact CD1-CE1 3.49Å; F106-F132 HydrophobicContact CD1-CE1 3.49Å; F106-F132 VanDerWaalsContact CD1-CE1 3.49Å; F106-F132 AromaticContact CE1-CD1 3.61Å; F106-F132 HydrophobicContact CE1-CD1 3.61Å; F106-F132 AromaticContact CE1-CE1 3.5Å; F106-F132 HydrophobicContact CE1-CE1 3.5Å
107T90.8Very high87.7Confident47 Ų4777.9 Ų77.929%0.28840%0.401SS..EExtended strand (participates in β ladder)trans-84.9139.4169.7-44.60000109.6Q109 N110 D128 L129T107-Q109 HydrophobicContact CG2-CG 4.23Å; T107-Q109 PolarHBondContact O-N 3.49Å; T107-N110 PolarHBondContact O-N 2.93Å; T107-D128 WeakPolarHBondContact CA-O 3.37Å; T107-L129 VanDerWaalsContact OG1-CD2 3.25Å; T107-L129 WeakPolarHBondContact OG1-CD2 3.2Å
108V85Confident87.5Confident20 Ų2069.9 Ų69.912%0.12137%0.371CS..G310 helixtrans-58.2-7-179-179.70000114.1N110 I111 P124 D128 V130V108-N110 VanDerWaalsContact C-N 3.25Å; V108-N110 PolarHBondContact O-N 2.92Å; V108-I111 HydrophobicContact CG1-CD1 4Å; V108-I111 HydrophobicContact CG1-CG1 4.31Å; V108-I111 VanDerWaalsContact O-CG1 3.29Å; V108-I111 WeakPolarHBondContact O-CG1 3.34Å; V108-P124 HydrophobicContact CG1-CG 4.26Å; V108-P124 HydrophobicContact CG2-CB 3.64Å; V108-P124 HydrophobicContact CG2-CG 3.6Å; V108-D128 HydrophobicContact CG2-CB 4.19Å; V108-D128 WeakPolarHBondContact CG2-O 3.49Å; V108-D128 PolarHBondContact N-O 3.49Å; V108-D128 VanDerWaalsContact N-O 3.14Å; V108-V130 HydrophobicContact CG2-CG2 3.99Å
109Q78.2Confident87.3Confident135 Ų13564.9 Ų64.963%0.63135%0.345SS*.G310 helixtrans-69.6-23.2170.6-63174.79.900112.8T107T107-Q109 HydrophobicContact CG2-CG 4.23Å; T107-Q109 PolarHBondContact O-N 3.49Å
110N72.4Confident87.3Confident120 Ų12068.1 Ų68.164%0.64236%0.361SS*.G310 helixtrans-115.451.4-174.7-69.2-26.9000112.1T107 V108 K112T107-N110 PolarHBondContact O-N 2.93Å; V108-N110 VanDerWaalsContact C-N 3.25Å; V108-N110 PolarHBondContact O-N 2.92Å; N110-K112 PolarHBondContact O-N 2.97Å
111I69.8Low87.2Confident92 Ų9269.9 Ų69.947%0.47236%0.359SS..  trans-64.2128.4-179.6-64167.7000110.5V108 L119V108-I111 HydrophobicContact CG1-CD1 4Å; V108-I111 HydrophobicContact CG1-CG1 4.31Å; V108-I111 VanDerWaalsContact O-CG1 3.29Å; V108-I111 WeakPolarHBondContact O-CG1 3.34Å; I111-L119 HydrophobicContact CB-CD1 4.18Å; I111-L119 HydrophobicContact CD1-CD1 4.25Å; I111-L119 HydrophobicContact CG1-CD1 3.84Å; I111-L119 HydrophobicContact CG2-CD1 3.42Å; I111-L119 VanDerWaalsContact CG2-CD1 3.42Å
112K69.7Low87.1Confident147 Ų14768.2 Ų68.264%0.63935%0.352SS*.  trans-97.1151.5170-65.5180-178.4175.10110.3N110 N114N110-K112 PolarHBondContact O-N 2.97Å; K112-N114 PolarHBondContact O-N 3.14Å; K112-N114 VanDerWaalsContact O-N 3.14Å
113S71.6Confident87.1Confident101 Ų10169 Ų6971%0.70636%0.36SS*.G310 helixtrans-59.1-25.3179.449.60000114.5Q115S113-Q115 VanDerWaalsContact C-N 3.27Å; S113-Q115 PolarHBondContact O-N 2.76Å
114N84.8Confident86.9Confident112 Ų11269.8 Ų69.860%0.59937%0.365SS*.G310 helixtrans-84.53.3-169-56.87.6000114K112K112-N114 PolarHBondContact O-N 3.14Å; K112-N114 VanDerWaalsContact O-N 3.14Å
115Q85.1Confident86.7Confident17 Ų1774.1 Ų74.18%0.07938%0.379CS..G310 helixtrans-13114.5-173.4-65.3161.7-8.400111.6D68 S113 D117 L118 L119 F132D68-Q115 VanDerWaalsContact OD2-CA 3.24Å; D68-Q115 WeakPolarHBondContact OD2-CA 3.44Å; S113-Q115 VanDerWaalsContact C-N 3.27Å; S113-Q115 PolarHBondContact O-N 2.76Å; Q115-D117 VanDerWaalsContact C-N 3.32Å; Q115-D117 PolarHBondContact O-N 2.9Å; Q115-L118 PolarHBondContact O-N 3.35Å; Q115-L119 HydrophobicContact CB-CD1 4.35Å; Q115-L119 WeakPolarHBondContact O-CB 3.45Å; Q115-L119 VanDerWaalsContact O-CG 3.22Å; Q115-L119 WeakPolarHBondContact O-CG 3.26Å; Q115-L119 PolarHBondContact O-N 3.27Å; Q115-F132 VanDerWaalsContact NE2-CE2 3.26Å
116L89.1Confident86.5Confident99 Ų9977 Ų7752%0.51840%0.401SS..Hα-helixtrans-64.5-39-169.4-176.661.6000111.4D68 L119 N120D68-L116 PolarHBondContact OD2-N 3.27Å; L116-L119 PolarHBondContact O-N 3.39Å; L116-N120 PolarHBondContact O-N 3.12Å; L116-N120 PolarHBondContact O-ND2 3.35Å; L116-N120 VanDerWaalsContact O-ND2 3.15Å
117D92.7Very high86.5Confident51 Ų5175.8 Ų75.827%0.27340%0.398SS..Hα-helixtrans-71.3-42.8179.9-173.467.8000111S65 V67 D68 Q115 L119 N120 L121S65-D117 VanDerWaalsContact CB-OD2 3.24Å; S65-D117 WeakPolarHBondContact CB-OD2 3.25Å; S65-D117 WeakPolarHBondContact OG-CB 3.36Å; S65-D117 PolarHBondContact OG-OD2 3.49Å; V67-D117 HydrophobicContact CB-CB 4.11Å; D68-D117 WeakPolarHBondContact OD2-CA 3.43Å; D68-D117 WeakPolarHBondContact OD2-CB 3.25Å; D68-D117 PolarHBondContact OD2-N 2.8Å; Q115-D117 VanDerWaalsContact C-N 3.32Å; Q115-D117 PolarHBondContact O-N 2.9Å; D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 2.89Å; D117-N120 WeakPolarHBondContact O-CB 3.03Å; D117-N120 PolarHBondContact O-N 3.06Å; D117-N120 VanDerWaalsContact O-N 3.16Å; D117-L121 WeakPolarHBondContact O-CG 3.05Å; D117-L121 PolarHBondContact O-N 3.46Å
118L93.3Very high86.7Confident1 Ų173.8 Ų73.81%0.00539%0.385CS..Hα-helixtrans-57.6-42.9172.9179.963.8000111.7S63 D68 H70 Q115 L121 L122 F132S63-L118 VanDerWaalsContact O-CD1 3.24Å; S63-L118 WeakPolarHBondContact O-CD1 3.37Å; D68-L118 PolarHBondContact OD2-N 2.93Å; H70-L118 HydrophobicContact CB-CD2 3.84Å; Q115-L118 PolarHBondContact O-N 3.35Å; L118-L121 PolarHBondContact O-N 3.29Å; L118-L122 HydrophobicContact CD1-CD1 4.02Å; L118-L122 HydrophobicContact CD1-CG 4.21Å; L118-L122 HydrophobicContact CD2-CD1 4.46Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.47Å; L118-L122 WeakPolarHBondContact O-CG 3.45Å; L118-L122 PolarHBondContact O-N 3.34Å; L118-F132 HydrophobicContact CD2-CB 3.75Å; L118-F132 HydrophobicContact CD2-CG 4.2Å
119L92.8Very high87.2Confident11 Ų1173.2 Ų73.26%0.05838%0.381CS..Hα-helixtrans-67-36.2178-72170.7000112.5F106 I111 Q115 L116 D117 L121 L122 K123 P124 V130F106-L119 HydrophobicContact CE2-CD1 4.38Å; F106-L119 HydrophobicContact CE2-CD2 4.25Å; F106-L119 HydrophobicContact CZ-CD1 4.2Å; F106-L119 HydrophobicContact CZ-CD2 3.84Å; F106-L119 HydrophobicContact CZ-CG 4.34Å; I111-L119 HydrophobicContact CB-CD1 4.18Å; I111-L119 HydrophobicContact CD1-CD1 4.25Å; I111-L119 HydrophobicContact CG1-CD1 3.84Å; I111-L119 HydrophobicContact CG2-CD1 3.42Å; I111-L119 VanDerWaalsContact CG2-CD1 3.42Å; Q115-L119 HydrophobicContact CB-CD1 4.35Å; Q115-L119 WeakPolarHBondContact O-CB 3.45Å; Q115-L119 VanDerWaalsContact O-CG 3.22Å; Q115-L119 WeakPolarHBondContact O-CG 3.26Å; Q115-L119 PolarHBondContact O-N 3.27Å; L116-L119 PolarHBondContact O-N 3.39Å; D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 2.89Å; L119-L121 VanDerWaalsContact C-N 3.28Å; L119-L121 PolarHBondContact O-N 2.83Å; L119-L122 PolarHBondContact O-N 2.87Å; L119-K123 WeakPolarHBondContact O-CA 3.42Å; L119-K123 PolarHBondContact O-N 3.33Å; L119-P124 HydrophobicContact CD2-CG 3.65Å; L119-P124 VanDerWaalsContact O-CD 3.24Å; L119-P124 WeakPolarHBondContact O-CD 3.18Å; L119-V130 HydrophobicContact CD2-CG2 3.95Å
120N92.9Very high88Confident99 Ų9966.8 Ų66.853%0.52935%0.351SS..Hα-helixtrans-64.6-33.5174-70.5-27.2000112.4L116 D117 K123L116-N120 PolarHBondContact O-N 3.12Å; L116-N120 PolarHBondContact O-ND2 3.35Å; L116-N120 VanDerWaalsContact O-ND2 3.15Å; D117-N120 WeakPolarHBondContact O-CB 3.03Å; D117-N120 PolarHBondContact O-N 3.06Å; D117-N120 VanDerWaalsContact O-N 3.16Å; N120-K123 WeakPolarHBondContact O-CG 3.49Å
121L94.5Very high89.2Confident84 Ų8461 Ų6144%0.4432%0.321SS..Hα-helixtrans-73.7-47.2176-67170.3000111.7Y64 D117 L118 L119 K123Y64-L121 WeakPolarHBondContact O-CD1 3.45Å; D117-L121 WeakPolarHBondContact O-CG 3.05Å; D117-L121 PolarHBondContact O-N 3.46Å; L118-L121 PolarHBondContact O-N 3.29Å; L119-L121 VanDerWaalsContact C-N 3.28Å; L119-L121 PolarHBondContact O-N 2.83Å; L121-K123 VanDerWaalsContact C-N 3.34Å
122L94.9Very high90.4Very high22 Ų2257.3 Ų57.312%0.11530%0.301CS..Hα-helixtrans-72.6-25.9-178.5-71.7176.6000113.5L118 L119 V130L118-L122 HydrophobicContact CD1-CD1 4.02Å; L118-L122 HydrophobicContact CD1-CG 4.21Å; L118-L122 HydrophobicContact CD2-CD1 4.46Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.47Å; L118-L122 WeakPolarHBondContact O-CG 3.45Å; L118-L122 PolarHBondContact O-N 3.34Å; L119-L122 PolarHBondContact O-N 2.87Å; L122-V130 HydrophobicContact CD1-CG1 3.78Å
123K93.9Very high91.7Very high170 Ų17050.6 Ų50.674%0.73927%0.272SS*.  trans46.453.6-177.3-58.2179.6-178.2175.90113.2L119 N120 L121L119-K123 WeakPolarHBondContact O-CA 3.42Å; L119-K123 PolarHBondContact O-N 3.33Å; N120-K123 WeakPolarHBondContact O-CG 3.49Å; L121-K123 VanDerWaalsContact C-N 3.34Å
124P92.8Very high92.8Very high24 Ų2453.1 Ų53.116%0.15627%0.27CS..PPolyproline II helixtrans-76.2150-17537.8-39.1000111.1N74 V108 L119 D128 V130N74-P124 HydrophobicContact CB-CB 4.42Å; N74-P124 VanDerWaalsContact OD1-CB 3.31Å; N74-P124 WeakPolarHBondContact OD1-CB 3.42Å; V108-P124 HydrophobicContact CG1-CG 4.26Å; V108-P124 HydrophobicContact CG2-CB 3.64Å; V108-P124 HydrophobicContact CG2-CG 3.6Å; L119-P124 HydrophobicContact CD2-CG 3.65Å; L119-P124 VanDerWaalsContact O-CD 3.24Å; L119-P124 WeakPolarHBondContact O-CD 3.18Å; P124-D128 HydrophobicContact CB-CB 4.19Å; P124-V130 HydrophobicContact CB-CG2 4.03Å; P124-V130 HydrophobicContact CG-CG2 4.03Å
125E92Very high93.1Very high145 Ų14548.6 Ų48.668%0.67825%0.25SC*.PPolyproline II helixtrans-90.2166.4179.1-64.3-174.2177.400111.9G127 D128E125-G127 PolarHBondContact O-N 3.46Å; E125-D128 PolarHBondContact N-OD2 3.28Å; E125-D128 VanDerWaalsContact O-CB 3.29Å; E125-D128 WeakPolarHBondContact O-CB 3.46Å; E125-D128 PolarHBondContact O-N 3.47Å
126C89.9Confident93.4Very high88 Ų8850.8 Ų50.860%0.59526%0.262SS*.THydrogen-bonded Turntrans-64.1121.3178.6-176.20000111.3R77R77-C126 WeakPolarHBondContact CD-O 3.44Å
127G89.9Confident93.6Very high7 Ų749.5 Ų49.57%0.07226%0.259CS..THydrogen-bonded Turntrans96.3-3.6-177.300000113.8S80 E125S80-G127 PolarHBondContact OG-O 2.69Å; E125-G127 PolarHBondContact O-N 3.46Å
128D95Very high93.4Very high5 Ų554 Ų543%0.02728%0.278CS..  trans-70.1154.4169.4-65.6-2000111.1N74 I75 P76 R77 T107 V108 P124 E125N74-D128 PolarHBondContact ND2-OD2 2.94Å; N74-D128 WeakPolarHBondContact OD1-CB 3.35Å; I75-D128 WeakPolarHBondContact O-CA 3.47Å; I75-D128 WeakPolarHBondContact O-CB 3.23Å; P76-D128 WeakPolarHBondContact CA-OD1 3.18Å; R77-D128 WeakPolarHBondContact CB-OD1 3.42Å; R77-D128 PolarHBondContact N-OD1 3.05Å; T107-D128 WeakPolarHBondContact CA-O 3.37Å; V108-D128 HydrophobicContact CG2-CB 4.19Å; V108-D128 WeakPolarHBondContact CG2-O 3.49Å; V108-D128 PolarHBondContact N-O 3.49Å; V108-D128 VanDerWaalsContact N-O 3.14Å; P124-D128 HydrophobicContact CB-CB 4.19Å; E125-D128 PolarHBondContact N-OD2 3.28Å; E125-D128 VanDerWaalsContact O-CB 3.29Å; E125-D128 WeakPolarHBondContact O-CB 3.46Å; E125-D128 PolarHBondContact O-N 3.47Å
129L95.2Very high93.3Very high7 Ų758.8 Ų58.84%0.03730%0.303CS..EExtended strand (participates in β ladder)trans-103.2135.2170.1-69.1167000109.4N74 I75 S80 L83 L88 I105 F106 T107N74-L129 PolarHBondContact OD1-O 3.06Å; I75-L129 HydrophobicContact CB-CB 4.17Å; I75-L129 HydrophobicContact CD1-CB 4.25Å; I75-L129 PolarHBondContact N-O 2.78Å; I75-L129 PolarHBondContact O-N 3.4Å; S80-L129 VanDerWaalsContact CB-CD1 3.46Å; L83-L129 HydrophobicContact CD1-CD1 4.11Å; L88-L129 HydrophobicContact CD1-CD1 4.09Å; L88-L129 HydrophobicContact CD1-CD2 4.28Å; L88-L129 HydrophobicContact CD2-CD1 4.11Å; I105-L129 HydrophobicContact CG2-CB 4.47Å; I105-L129 HydrophobicContact CG2-CD2 4.28Å; F106-L129 WeakPolarHBondContact O-CA 3.47Å; T107-L129 VanDerWaalsContact OG1-CD2 3.25Å; T107-L129 WeakPolarHBondContact OG1-CD2 3.2Å
130V95.7Very high93.4Very high0 Ų060.1 Ų60.10%031%0.308CS..EExtended strand (participates in β ladder)trans-107.4124.2172.5177.40000108.3I105 F106 V108 L119 L122 P124 F132I105-V130 WeakPolarHBondContact CA-O 3.24Å; F106-V130 HydrophobicContact CD1-CB 4.18Å; F106-V130 HydrophobicContact CE1-CB 3.71Å; F106-V130 HydrophobicContact CE1-CG1 3.8Å; F106-V130 HydrophobicContact CZ-CB 3.92Å; F106-V130 HydrophobicContact CZ-CG1 4.15Å; F106-V130 HydrophobicContact CZ-CG2 4.37Å; F106-V130 PolarHBondContact N-O 2.99Å; F106-V130 VanDerWaalsContact N-O 3.1Å; F106-V130 PolarHBondContact O-N 2.94Å; V108-V130 HydrophobicContact CG2-CG2 3.99Å; L119-V130 HydrophobicContact CD2-CG2 3.95Å; L122-V130 HydrophobicContact CD1-CG1 3.78Å; P124-V130 HydrophobicContact CB-CG2 4.03Å; P124-V130 HydrophobicContact CG-CG2 4.03Å; V130-F132 HydrophobicContact CG1-CD1 4.34Å
131V96.8Very high93.6Very high0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-105.6124.7172.5-1770000107.4G72 F73 I75 I103 I105 L144 A147G72-V131 CarbonylContact C-O 3.58Å; G72-V131 WeakPolarHBondContact CA-O 3.36Å; F73-V131 HydrophobicContact CD1-CB 4.31Å; F73-V131 HydrophobicContact CD2-CB 4.43Å; F73-V131 HydrophobicContact CE1-CB 3.82Å; F73-V131 HydrophobicContact CE1-CG1 3.9Å; F73-V131 HydrophobicContact CE2-CB 3.97Å; F73-V131 HydrophobicContact CE2-CG2 3.93Å; F73-V131 HydrophobicContact CZ-CB 3.64Å; F73-V131 HydrophobicContact CZ-CG1 3.92Å; F73-V131 HydrophobicContact CZ-CG2 3.86Å; F73-V131 PolarHBondContact N-O 2.73Å; F73-V131 PolarHBondContact O-N 3.32Å; I75-V131 HydrophobicContact CD1-CG2 3.59Å; I75-V131 HydrophobicContact CG1-CG2 4.41Å; I103-V131 HydrophobicContact CB-CG1 4.39Å; I103-V131 HydrophobicContact CD1-CG1 3.99Å; I105-V131 HydrophobicContact CD1-CG2 4.39Å; I105-V131 HydrophobicContact CG1-CG1 4.26Å; I105-V131 HydrophobicContact CG1-CG2 4.09Å; I105-V131 HydrophobicContact CG2-CG2 4.16Å; V131-L144 HydrophobicContact CG1-CD1 4.06Å; V131-A147 HydrophobicContact CG1-CB 4.28Å
132F96.3Very high93.6Very high14 Ų1458.9 Ų58.96%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-146.7162-177.472.9-77000112H70 T71 S104 F106 Q115 L118 V130H70-F132 HydrophobicContact CB-CD2 4.21Å; H70-F132 AromaticContact CD2-CD2 3.57Å; H70-F132 AromaticContact CD2-CE2 3.65Å; T71-F132 CarbonylContact O-C 3.51Å; T71-F132 VanDerWaalsContact O-CA 3.23Å; T71-F132 WeakPolarHBondContact O-CA 3.31Å; T71-F132 WeakPolarHBondContact O-CB 3.46Å; S104-F132 PolarHBondContact N-O 3.31Å; S104-F132 WeakPolarHBondContact O-CD1 3.42Å; S104-F132 WeakPolarHBondContact O-CE1 3.35Å; S104-F132 PolarHBondContact O-N 3.38Å; F106-F132 AromaticContact CD1-CD1 3.88Å; F106-F132 HydrophobicContact CD1-CD1 3.88Å; F106-F132 AromaticContact CD1-CE1 3.49Å; F106-F132 HydrophobicContact CD1-CE1 3.49Å; F106-F132 VanDerWaalsContact CD1-CE1 3.49Å; F106-F132 AromaticContact CE1-CD1 3.61Å; F106-F132 HydrophobicContact CE1-CD1 3.61Å; F106-F132 AromaticContact CE1-CE1 3.5Å; F106-F132 HydrophobicContact CE1-CE1 3.5Å; Q115-F132 VanDerWaalsContact NE2-CE2 3.26Å; L118-F132 HydrophobicContact CD2-CB 3.75Å; L118-F132 HydrophobicContact CD2-CG 4.2Å; V130-F132 HydrophobicContact CG1-CD1 4.34Å
133I96.1Very high93.7Very high5 Ų557.9 Ų57.93%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-136.4150.9176.6-170163000108.9H70 T71 Q101 I103 E140 A143 L144H70-I133 CarbonylContact C-O 3.59Å; H70-I133 VanDerWaalsContact CA-O 3.3Å; H70-I133 WeakPolarHBondContact CA-O 3.29Å; T71-I133 PolarHBondContact N-O 3.42Å; T71-I133 PolarHBondContact O-N 2.96Å; Q101-I133 HydrophobicContact CB-CD1 3.75Å; Q101-I133 HydrophobicContact CG-CD1 4.29Å; I103-I133 HydrophobicContact CG2-CB 4.46Å; I103-I133 HydrophobicContact CG2-CD1 4.42Å; I133-E140 HydrophobicContact CD1-CB 3.93Å; I133-E140 HydrophobicContact CD1-CG 4.03Å; I133-E140 HydrophobicContact CG1-CB 4.29Å; I133-E140 HydrophobicContact CG1-CG 4.29Å; I133-E140 HydrophobicContact CG2-CB 4.1Å; I133-A143 HydrophobicContact CD1-CB 4.07Å; I133-L144 HydrophobicContact CG2-CB 4.33Å; I133-L144 HydrophobicContact CG2-CD1 4.38Å; I133-L144 HydrophobicContact CG2-CD2 4.36Å
134K94.4Very high93.8Very high155 Ų15549.8 Ų49.867%0.67426%0.255SS*.EExtended strand (participates in β ladder)trans-78.7132.7172.3-172.3178.6-179179.80109.2E140K134-E140 WeakPolarHBondContact O-CG 3.21Å
135G92.4Very high94Very high16 Ų1649.9 Ų49.917%0.16526%0.255CS..  trans94.4178.3-178.400000114G69 T71 E140G69-G135 PolarHBondContact O-N 3.29Å; T71-G135 WeakPolarHBondContact CB-O 3.04Å; T71-G135 PolarHBondContact OG1-O 2.99Å; G135-E140 VanDerWaalsContact CA-OE2 3.24Å; G135-E140 WeakPolarHBondContact CA-OE2 3.3Å
136N91.6Very high94.3Very high63 Ų6345.2 Ų45.234%0.33723%0.234SC..  trans-151.230.3-176.1-171.124.5000111.6Y64 T71 E140 L141Y64-N136 HydrophobicContact CD1-CB 4.46Å; Y64-N136 HydrophobicContact CD2-CB 3.59Å; Y64-N136 HydrophobicContact CE1-CB 4.44Å; Y64-N136 HydrophobicContact CE2-CB 3.56Å; Y64-N136 HydrophobicContact CG-CB 4.04Å; T71-N136 WeakPolarHBondContact OG1-CB 3.32Å; N136-E140 PolarHBondContact N-OE2 3.38Å; N136-L141 WeakPolarHBondContact OD1-CD1 3.21Å; N136-L141 WeakPolarHBondContact OD1-CD2 3.23Å
137T91.6Very high94.7Very high73 Ų7341 Ų4145%0.44821%0.206SC..SBendtrans-82167.9172.866.30000110.1I139 E140 L141T137-I139 PolarHBondContact O-N 2.92Å; T137-E140 VanDerWaalsContact CB-OE2 3.31Å; T137-E140 WeakPolarHBondContact CB-OE2 3.14Å; T137-E140 WeakPolarHBondContact CG2-OE2 3.46Å; T137-E140 PolarHBondContact N-OE2 3.26Å; T137-E140 PolarHBondContact O-N 3.5Å; T137-E140 PolarHBondContact OG1-OE2 2.95Å; T137-L141 WeakPolarHBondContact O-CB 3.41Å; T137-L141 WeakPolarHBondContact O-CG 3.38Å; T137-L141 PolarHBondContact O-N 3.25Å
138E89Confident95Very high145 Ų14540.9 Ų40.968%0.67820%0.203SC*.Hα-helixtrans-56.6-35.8178.1-170.2-176.6162.400112.8K142E138-K142 WeakPolarHBondContact O-CB 3.4Å; E138-K142 PolarHBondContact O-N 3.38Å
139I92.3Very high95.1Very high102 Ų10242.3 Ų42.352%0.52321%0.212SC..Hα-helixtrans-67-45-179.7-55.7175.2000110.5Q101 T137 A143Q101-I139 HydrophobicContact CG-CG2 3.75Å; Q101-I139 VanDerWaalsContact NE2-CG2 3.28Å; T137-I139 PolarHBondContact O-N 2.92Å; I139-A143 PolarHBondContact O-N 3.13Å
140E94.8Very high95.2Very high38 Ų3844.3 Ų44.318%0.17822%0.221CC..Hα-helixtrans-70.2-41.5179.8-67.1142.6172.500111I133 K134 G135 N136 T137 A143 L144I133-E140 HydrophobicContact CD1-CB 3.93Å; I133-E140 HydrophobicContact CD1-CG 4.03Å; I133-E140 HydrophobicContact CG1-CB 4.29Å; I133-E140 HydrophobicContact CG1-CG 4.29Å; I133-E140 HydrophobicContact CG2-CB 4.1Å; K134-E140 WeakPolarHBondContact O-CG 3.21Å; G135-E140 VanDerWaalsContact CA-OE2 3.24Å; G135-E140 WeakPolarHBondContact CA-OE2 3.3Å; N136-E140 PolarHBondContact N-OE2 3.38Å; T137-E140 VanDerWaalsContact CB-OE2 3.31Å; T137-E140 WeakPolarHBondContact CB-OE2 3.14Å; T137-E140 WeakPolarHBondContact CG2-OE2 3.46Å; T137-E140 PolarHBondContact N-OE2 3.26Å; T137-E140 PolarHBondContact O-N 3.5Å; T137-E140 PolarHBondContact OG1-OE2 2.95Å; E140-A143 WeakPolarHBondContact O-CB 3.4Å; E140-A143 PolarHBondContact O-N 2.88Å; E140-L144 PolarHBondContact O-N 2.87Å
141L95.3Very high95.3Very high13 Ų1344.3 Ų44.37%0.06822%0.221CC..Hα-helixtrans-63.5-42175.5-72.2172.4000111.6F62 T71 N136 T137 A143 L144 V145F62-L141 HydrophobicContact CD2-CD2 3.92Å; F62-L141 HydrophobicContact CE2-CD2 4.19Å; T71-L141 HydrophobicContact CG2-CD2 4.09Å; N136-L141 WeakPolarHBondContact OD1-CD1 3.21Å; N136-L141 WeakPolarHBondContact OD1-CD2 3.23Å; T137-L141 WeakPolarHBondContact O-CB 3.41Å; T137-L141 WeakPolarHBondContact O-CG 3.38Å; T137-L141 PolarHBondContact O-N 3.25Å; L141-A143 VanDerWaalsContact C-N 3.29Å; L141-A143 PolarHBondContact O-N 3.36Å; L141-L144 CarbonylContact O-C 3.43Å; L141-L144 PolarHBondContact O-N 2.95Å; L141-L144 VanDerWaalsContact O-N 3.11Å; L141-V145 WeakPolarHBondContact O-CG2 3.49Å; L141-V145 PolarHBondContact O-N 2.76Å
142K94.6Very high95.3Very high145 Ų14544.3 Ų44.363%0.6322%0.221SC*.Hα-helixtrans-59.4-40.3176.2-174.8175.8-178.2177.10112E138 M146E138-K142 WeakPolarHBondContact O-CB 3.4Å; E138-K142 PolarHBondContact O-N 3.38Å; K142-M146 WeakPolarHBondContact O-CB 3.22Å; K142-M146 PolarHBondContact O-N 3.19Å
143A97.4Very high95.3Very high0 Ų048.5 Ų48.50%024%0.239CC..Hα-helixtrans-64.8-42.5174.100000112.2V95 T99 Q101 I133 I139 E140 L141 M146 A147V95-A143 HydrophobicContact CG1-CB 3.87Å; T99-A143 HydrophobicContact CG2-CB 4.17Å; T99-A143 WeakPolarHBondContact OG1-CB 3.48Å; Q101-A143 HydrophobicContact CB-CB 3.61Å; Q101-A143 HydrophobicContact CG-CB 4.01Å; I133-A143 HydrophobicContact CD1-CB 4.07Å; I139-A143 PolarHBondContact O-N 3.13Å; E140-A143 WeakPolarHBondContact O-CB 3.4Å; E140-A143 PolarHBondContact O-N 2.88Å; L141-A143 VanDerWaalsContact C-N 3.29Å; L141-A143 PolarHBondContact O-N 3.36Å; A143-M146 PolarHBondContact O-N 3.45Å; A143-A147 WeakPolarHBondContact O-CB 3.35Å; A143-A147 PolarHBondContact O-N 3.47Å
144L97.4Very high95.3Very high0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-69.8-37.6179.1-161.366.7000112.3F62 T71 F73 V131 I133 E140 L141 M146 A147 R148F62-L144 HydrophobicContact CD1-CD2 4.01Å; F62-L144 HydrophobicContact CD1-CG 4.4Å; F62-L144 HydrophobicContact CD2-CD2 3.7Å; F62-L144 HydrophobicContact CD2-CG 4.37Å; F62-L144 HydrophobicContact CE1-CD2 3.94Å; F62-L144 HydrophobicContact CE1-CG 3.83Å; F62-L144 HydrophobicContact CE2-CB 3.84Å; F62-L144 HydrophobicContact CE2-CD2 3.63Å; F62-L144 HydrophobicContact CE2-CG 3.8Å; F62-L144 HydrophobicContact CG-CD2 3.89Å; F62-L144 HydrophobicContact CZ-CB 3.79Å; F62-L144 HydrophobicContact CZ-CD2 3.76Å; F62-L144 HydrophobicContact CZ-CG 3.51Å; T71-L144 HydrophobicContact CG2-CD2 3.75Å; F73-L144 HydrophobicContact CD1-CD1 3.81Å; F73-L144 HydrophobicContact CD1-CD2 4.32Å; F73-L144 HydrophobicContact CD1-CG 3.85Å; F73-L144 HydrophobicContact CE1-CD1 3.68Å; F73-L144 HydrophobicContact CE1-CG 3.93Å; V131-L144 HydrophobicContact CG1-CD1 4.06Å; I133-L144 HydrophobicContact CG2-CB 4.33Å; I133-L144 HydrophobicContact CG2-CD1 4.38Å; I133-L144 HydrophobicContact CG2-CD2 4.36Å; E140-L144 PolarHBondContact O-N 2.87Å; L141-L144 CarbonylContact O-C 3.43Å; L141-L144 PolarHBondContact O-N 2.95Å; L141-L144 VanDerWaalsContact O-N 3.11Å; L144-M146 VanDerWaalsContact C-N 3.34Å; L144-A147 PolarHBondContact O-N 3.48Å; L144-R148 WeakPolarHBondContact O-CB 3.43Å; L144-R148 PolarHBondContact O-N 3.45Å
145V96.7Very high95.5Very high27 Ų2742.7 Ų42.716%0.16422%0.215CC..Hα-helixtrans-60.8-46173.2177.10000110.2Y49 G50 F62 L141 R148 V149Y49-V145 WeakPolarHBondContact O-CG2 3.46Å; G50-V145 VanDerWaalsContact O-CG2 3.26Å; G50-V145 WeakPolarHBondContact O-CG2 3.49Å; F62-V145 HydrophobicContact CE2-CG2 4.03Å; F62-V145 HydrophobicContact CZ-CG2 4.2Å; L141-V145 WeakPolarHBondContact O-CG2 3.49Å; L141-V145 PolarHBondContact O-N 2.76Å; V145-R148 WeakPolarHBondContact O-CB 3.19Å; V145-R148 PolarHBondContact O-N 3.42Å; V145-V149 WeakPolarHBondContact O-CG2 3.48Å; V145-V149 PolarHBondContact O-N 2.88Å
146M97.1Very high95.6Very high47 Ų4745.6 Ų45.623%0.23223%0.227CC..Hα-helixtrans-59.9-49.3176.2-178.7166.6-139.300110.9L94 V95 L98 T99 K142 A143 L144 R148 V149 E150L94-M146 HydrophobicContact CD2-CE 3.87Å; L94-M146 HydrophobicContact CD2-CG 4.36Å; L94-M146 HydrophobicContact CD2-SD 4.17Å; V95-M146 HydrophobicContact CG2-CG 4.35Å; L98-M146 HydrophobicContact CB-CE 3.94Å; L98-M146 HydrophobicContact CB-SD 3.82Å; L98-M146 HydrophobicContact CD1-CE 3.21Å; L98-M146 HydrophobicContact CD1-SD 4.12Å; L98-M146 HydrophobicContact CG-CE 4.16Å; T99-M146 HydrophobicContact CG2-SD 3.91Å; K142-M146 WeakPolarHBondContact O-CB 3.22Å; K142-M146 PolarHBondContact O-N 3.19Å; A143-M146 PolarHBondContact O-N 3.45Å; L144-M146 VanDerWaalsContact C-N 3.34Å; M146-R148 VanDerWaalsContact C-N 3.28Å; M146-R148 PolarHBondContact O-N 2.84Å; M146-V149 PolarHBondContact O-N 3.04Å; M146-E150 HydrophobicContact CG-CG 4.2Å; M146-E150 WeakPolarHBondContact O-CB 3.41Å; M146-E150 WeakPolarHBondContact O-CG 3.28Å; M146-E150 PolarHBondContact O-N 2.98Å
147A97.8Very high95.8Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-56.1-45176.900000111.6F73 V95 I103 V131 A143 L144 E150 V151F73-A147 HydrophobicContact CE1-CB 4.45Å; V95-A147 HydrophobicContact CG2-CB 3.94Å; I103-A147 HydrophobicContact CD1-CB 3.76Å; V131-A147 HydrophobicContact CG1-CB 4.28Å; A143-A147 WeakPolarHBondContact O-CB 3.35Å; A143-A147 PolarHBondContact O-N 3.47Å; L144-A147 PolarHBondContact O-N 3.48Å; A147-E150 PolarHBondContact O-N 2.9Å; A147-V151 WeakPolarHBondContact O-CB 3.39Å; A147-V151 WeakPolarHBondContact O-CG2 3.45Å; A147-V151 PolarHBondContact O-N 3.12Å
148R97.7Very high96Very high3 Ų347.7 Ų47.71%0.01124%0.238CC..Hα-helixtrans-57.8-50.3177.5176.5-178.4175.1-88.8-2.3112.1D55 F58 G59 F60 F62 F73 L144 V145 M146 A152D55-R148 PolarHBondContact O-NH1 3.07Å; D55-R148 PolarHBondContact O-NH2 2.86Å; F58-R148 HydrophobicContact CE2-CG 3.65Å; F58-R148 HydrophobicContact CZ-CG 3.96Å; F58-R148 VanDerWaalsContact CZ-NH1 3.27Å; F58-R148 PolarHBondContact O-NH2 3.01Å; G59-R148 VanDerWaalsContact O-CZ 3.31Å; G59-R148 PolarHBondContact O-NE 3.43Å; G59-R148 VanDerWaalsContact O-NE 3.07Å; G59-R148 PolarHBondContact O-NH2 2.85Å; F60-R148 HydrophobicContact CB-CG 4.09Å; F60-R148 HydrophobicContact CD2-CG 4.45Å; F60-R148 WeakPolarHBondContact O-CD 3.34Å; F60-R148 PolarHBondContact O-NE 2.94Å; F62-R148 HydrophobicContact CE1-CB 4.12Å; F62-R148 HydrophobicContact CE1-CG 4.42Å; F62-R148 HydrophobicContact CZ-CB 4.35Å; F73-R148 HydrophobicContact CD1-CB 4.46Å; F73-R148 HydrophobicContact CE1-CB 3.85Å; F73-R148 HydrophobicContact CZ-CB 3.93Å; L144-R148 WeakPolarHBondContact O-CB 3.43Å; L144-R148 PolarHBondContact O-N 3.45Å; V145-R148 WeakPolarHBondContact O-CB 3.19Å; V145-R148 PolarHBondContact O-N 3.42Å; M146-R148 VanDerWaalsContact C-N 3.28Å; M146-R148 PolarHBondContact O-N 2.84Å; R148-A152 PolarHBondContact O-N 2.99Å; R148-A152 VanDerWaalsContact O-N 3.15Å
149V96.9Very high96.2Very high36 Ų3643.9 Ų43.922%0.21824%0.238CC..Hα-helixtrans-68.5-42.5-177.91720000111.4V145 M146 A152 K153V145-V149 WeakPolarHBondContact O-CG2 3.48Å; V145-V149 PolarHBondContact O-N 2.88Å; M146-V149 PolarHBondContact O-N 3.04Å; V149-A152 PolarHBondContact O-N 3.21Å; V149-K153 HydrophobicContact CG1-CD 4.48Å; V149-K153 WeakPolarHBondContact O-CG 3.24Å; V149-K153 PolarHBondContact O-N 3Å
150E97.1Very high96.2Very high48 Ų4841.1 Ų41.122%0.22422%0.224CC..Hα-helixtrans-68.7-38.8-179.6-68.4-54.613400112.3L91 L94 M146 A147 A152 K153 L154L91-E150 HydrophobicContact CD1-CB 3.68Å; L94-E150 HydrophobicContact CD2-CG 3.96Å; M146-E150 HydrophobicContact CG-CG 4.2Å; M146-E150 WeakPolarHBondContact O-CB 3.41Å; M146-E150 WeakPolarHBondContact O-CG 3.28Å; M146-E150 PolarHBondContact O-N 2.98Å; A147-E150 PolarHBondContact O-N 2.9Å; E150-A152 VanDerWaalsContact C-N 3.29Å; E150-A152 PolarHBondContact O-N 3.38Å; E150-K153 PolarHBondContact O-N 3.11Å; E150-K153 IonicContact OE1-NZ 2.99Å; E150-K153 PolarHBondContact OE1-NZ 3.29Å; E150-K153 IonicContact OE2-NZ 2.73Å; E150-L154 WeakPolarHBondContact O-CB 3.41Å; E150-L154 PolarHBondContact O-N 3.36Å
151V97.4Very high96.1Very high1 Ų144.6 Ų44.61%0.00625%0.252CS..Hα-helixtrans-59.3-42.4170.8166.80000110.9F60 I75 L91 A147 L154 I155F60-V151 HydrophobicContact CE2-CG1 4.1Å; I75-V151 HydrophobicContact CD1-CG1 3.69Å; I75-V151 HydrophobicContact CD1-CG2 4.29Å; I75-V151 HydrophobicContact CG1-CG1 4.25Å; L91-V151 HydrophobicContact CD1-CG2 4.04Å; L91-V151 HydrophobicContact CD2-CG2 3.17Å; L91-V151 HydrophobicContact CG-CG2 4.23Å; A147-V151 WeakPolarHBondContact O-CB 3.39Å; A147-V151 WeakPolarHBondContact O-CG2 3.45Å; A147-V151 PolarHBondContact O-N 3.12Å; V151-L154 PolarHBondContact O-N 3.1Å; V151-I155 HydrophobicContact CG1-CD1 3.55Å; V151-I155 HydrophobicContact CG1-CG1 4.26Å; V151-I155 WeakPolarHBondContact O-CD1 3.35Å; V151-I155 VanDerWaalsContact O-CG1 3.24Å; V151-I155 WeakPolarHBondContact O-CG1 3.2Å; V151-I155 PolarHBondContact O-N 3.23Å
152A97.2Very high96.1Very high0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-64.3-44.9179.700000112F58 R148 V149 E150 L154 I155 D156 I162 Y163F58-A152 HydrophobicContact CD1-CB 4.22Å; F58-A152 HydrophobicContact CD2-CB 4.01Å; F58-A152 HydrophobicContact CE1-CB 3.83Å; F58-A152 HydrophobicContact CE2-CB 3.6Å; F58-A152 HydrophobicContact CG-CB 4.29Å; F58-A152 HydrophobicContact CZ-CB 3.49Å; F58-A152 VanDerWaalsContact CZ-CB 3.49Å; R148-A152 PolarHBondContact O-N 2.99Å; R148-A152 VanDerWaalsContact O-N 3.15Å; V149-A152 PolarHBondContact O-N 3.21Å; E150-A152 VanDerWaalsContact C-N 3.29Å; E150-A152 PolarHBondContact O-N 3.38Å; A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 2.87Å; A152-I155 PolarHBondContact O-N 2.88Å; A152-D156 WeakPolarHBondContact O-CB 3.3Å; A152-D156 PolarHBondContact O-N 3.45Å; A152-I162 HydrophobicContact CB-CD1 3.88Å; A152-I162 WeakPolarHBondContact O-CG2 3.31Å; A152-Y163 HydrophobicContact CB-CE1 4.2Å; A152-Y163 WeakPolarHBondContact CB-OH 3.22Å
153K96.6Very high96.1Very high101 Ų10139.9 Ų39.944%0.43923%0.231SC..Hα-helixtrans-59.1-41.3174-69.6174-175.2168.30111.9V149 E150 D156 S157 Y163V149-K153 HydrophobicContact CG1-CD 4.48Å; V149-K153 WeakPolarHBondContact O-CG 3.24Å; V149-K153 PolarHBondContact O-N 3Å; E150-K153 PolarHBondContact O-N 3.11Å; E150-K153 IonicContact OE1-NZ 2.99Å; E150-K153 PolarHBondContact OE1-NZ 3.29Å; E150-K153 IonicContact OE2-NZ 2.73Å; K153-D156 PolarHBondContact O-N 3.22Å; K153-S157 WeakPolarHBondContact O-CB 3.42Å; K153-S157 PolarHBondContact O-N 2.94Å; K153-Y163 PolarHBondContact N-OH 3.04Å
154L96.5Very high95.9Very high38 Ų3845.4 Ų45.420%0.19926%0.256CS..Hα-helixtrans-64.5-47.2178.5178.966.6000111.1L83 D87 E150 V151 A152 D156 S157 K158L83-L154 HydrophobicContact CD2-CD2 3.52Å; L83-L154 HydrophobicContact CD2-CG 3.93Å; D87-L154 HydrophobicContact CB-CD2 3.75Å; E150-L154 WeakPolarHBondContact O-CB 3.41Å; E150-L154 PolarHBondContact O-N 3.36Å; V151-L154 PolarHBondContact O-N 3.1Å; A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 2.87Å; L154-D156 VanDerWaalsContact C-N 3.29Å; L154-D156 PolarHBondContact O-N 3.24Å; L154-S157 PolarHBondContact O-N 3.36Å; L154-S157 VanDerWaalsContact O-N 3.17Å; L154-S157 PolarHBondContact O-OG 2.84Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 2.97Å; L154-K158 VanDerWaalsContact O-N 3.16Å
155I97.4Very high95.6Very high1 Ų150.9 Ų50.91%0.00529%0.292CS..Hα-helixtrans-56.9-45.6175.9-70.9163.8000110.6F60 I75 Y79 L83 V151 A152 S157 K158 L160 I162F60-I155 HydrophobicContact CE2-CD1 3.95Å; F60-I155 HydrophobicContact CZ-CD1 3.87Å; I75-I155 HydrophobicContact CG2-CD1 4.33Å; Y79-I155 HydrophobicContact CD1-CG2 3.53Å; Y79-I155 HydrophobicContact CD2-CD1 4.26Å; Y79-I155 HydrophobicContact CE1-CG2 4.05Å; Y79-I155 HydrophobicContact CG-CD1 3.93Å; Y79-I155 HydrophobicContact CG-CG2 4.01Å; L83-I155 HydrophobicContact CD1-CG1 4.44Å; L83-I155 HydrophobicContact CD2-CG1 4.27Å; V151-I155 HydrophobicContact CG1-CD1 3.55Å; V151-I155 HydrophobicContact CG1-CG1 4.26Å; V151-I155 WeakPolarHBondContact O-CD1 3.35Å; V151-I155 VanDerWaalsContact O-CG1 3.24Å; V151-I155 WeakPolarHBondContact O-CG1 3.2Å; V151-I155 PolarHBondContact O-N 3.23Å; A152-I155 PolarHBondContact O-N 2.88Å; I155-S157 VanDerWaalsContact C-N 3.35Å; I155-S157 PolarHBondContact O-N 2.9Å; I155-K158 PolarHBondContact O-N 2.97Å; I155-K158 VanDerWaalsContact O-N 3.15Å; I155-L160 HydrophobicContact CG2-CB 3.7Å; I155-L160 HydrophobicContact CG2-CD1 4.1Å; I155-L160 PolarHBondContact O-N 3.34Å; I155-I162 HydrophobicContact CB-CD1 4.22Å; I155-I162 HydrophobicContact CD1-CD1 3.75Å; I155-I162 HydrophobicContact CG2-CB 3.95Å; I155-I162 HydrophobicContact CG2-CD1 4.06Å; I155-I162 HydrophobicContact CG2-CG2 4.21Å
156D96Very high95.2Very high77 Ų7751.1 Ų51.141%0.41230%0.3SS..Hα-helixtrans-61.3-42.4177-168.461.6000111.9A152 K153 L154 K158 G159 I162 Y163A152-D156 WeakPolarHBondContact O-CB 3.3Å; A152-D156 PolarHBondContact O-N 3.45Å; K153-D156 PolarHBondContact O-N 3.22Å; L154-D156 VanDerWaalsContact C-N 3.29Å; L154-D156 PolarHBondContact O-N 3.24Å; D156-K158 PolarHBondContact O-N 2.67Å; D156-G159 WeakPolarHBondContact O-CA 3.48Å; D156-G159 PolarHBondContact O-N 3.43Å; D156-I162 HydrophobicContact CB-CG2 3.91Å; D156-Y163 HydrophobicContact CB-CD2 4.09Å; D156-Y163 HydrophobicContact CB-CE2 3.68Å
157S95.4Very high94.9Very high87 Ų8752.9 Ų52.961%0.60831%0.306SS*.Hα-helixtrans-63.7-22176.879.30000114K153 L154 I155 G159K153-S157 WeakPolarHBondContact O-CB 3.42Å; K153-S157 PolarHBondContact O-N 2.94Å; L154-S157 PolarHBondContact O-N 3.36Å; L154-S157 VanDerWaalsContact O-N 3.17Å; L154-S157 PolarHBondContact O-OG 2.84Å; I155-S157 VanDerWaalsContact C-N 3.35Å; I155-S157 PolarHBondContact O-N 2.9Å; S157-G159 PolarHBondContact O-N 2.95Å
158K94.6Very high94.6Very high93 Ų9354.8 Ų54.840%0.40432%0.315SS..THydrogen-bonded Turntrans-83.64.3173-56.8-75.3178.6169.90112.2D87 L154 I155 D156D87-K158 IonicContact OD1-NZ 3.74Å; D87-K158 PolarHBondContact OD1-NZ 3.16Å; D87-K158 IonicContact OD2-NZ 2.92Å; D87-K158 PolarHBondContact OD2-NZ 3.44Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 2.97Å; L154-K158 VanDerWaalsContact O-N 3.16Å; I155-K158 PolarHBondContact O-N 2.97Å; I155-K158 VanDerWaalsContact O-N 3.15Å; D156-K158 PolarHBondContact O-N 2.67Å
159G93.3Very high94.5Very high65 Ų6555.7 Ų55.767%0.6732%0.319SS*.THydrogen-bonded Turntrans83.515.4178.300000114.4D156 S157D156-G159 WeakPolarHBondContact O-CA 3.48Å; D156-G159 PolarHBondContact O-N 3.43Å; S157-G159 PolarHBondContact O-N 2.95Å
160L93.5Very high94.4Very high44 Ų4454 Ų5423%0.2331%0.309CS..  trans-96.2119.8177.1-62.3173.8000109.9Y79 N82 I155 I162Y79-L160 HydrophobicContact CD1-CB 4.42Å; Y79-L160 HydrophobicContact CD1-CD1 4.17Å; N82-L160 HydrophobicContact CB-CD1 3.81Å; I155-L160 HydrophobicContact CG2-CB 3.7Å; I155-L160 HydrophobicContact CG2-CD1 4.1Å; I155-L160 PolarHBondContact O-N 3.34Å; L160-I162 PolarHBondContact O-N 3.26Å
161S91.7Very high94.3Very high111 Ų11152.3 Ų52.378%0.77630%0.3SS*.  trans-66.299.7176.7-54.20000111
162I95.6Very high94.1Very high10 Ų1052.3 Ų52.35%0.05130%0.3CS..  trans-101.5-33.4176-177.1160.4000112.7F58 F60 Y79 A152 I155 D156 L160F58-I162 HydrophobicContact CB-CD1 4.44Å; F58-I162 HydrophobicContact CB-CG1 3.75Å; F58-I162 WeakPolarHBondContact CB-O 3.38Å; F58-I162 HydrophobicContact CD2-CD1 4.31Å; F58-I162 HydrophobicContact CD2-CG1 4.49Å; F58-I162 HydrophobicContact CG-CG1 4.26Å; F60-I162 HydrophobicContact CE1-CD1 4.49Å; F60-I162 HydrophobicContact CE2-CD1 3.49Å; F60-I162 VanDerWaalsContact CE2-CD1 3.49Å; F60-I162 HydrophobicContact CZ-CD1 3.44Å; F60-I162 VanDerWaalsContact CZ-CD1 3.44Å; Y79-I162 HydrophobicContact CE1-CB 4.46Å; Y79-I162 HydrophobicContact CE2-CD1 4.25Å; Y79-I162 HydrophobicContact CE2-CG1 4.47Å; A152-I162 HydrophobicContact CB-CD1 3.88Å; A152-I162 WeakPolarHBondContact O-CG2 3.31Å; I155-I162 HydrophobicContact CB-CD1 4.22Å; I155-I162 HydrophobicContact CD1-CD1 3.75Å; I155-I162 HydrophobicContact CG2-CB 3.95Å; I155-I162 HydrophobicContact CG2-CD1 4.06Å; I155-I162 HydrophobicContact CG2-CG2 4.21Å; D156-I162 HydrophobicContact CB-CG2 3.91Å; L160-I162 PolarHBondContact O-N 3.26Å
163Y95.2Very high93.8Very high49 Ų4953.3 Ų53.319%0.19231%0.306CS..SBendtrans-84.5129.1-179.7-59.8-69.4000110.9R57 F58 A152 K153 D156R57-Y163 HydrophobicContact CB-CD1 4.15Å; F58-Y163 AromaticContact CD1-CD1 3.74Å; F58-Y163 HydrophobicContact CD1-CD1 3.74Å; F58-Y163 AromaticContact CD1-CE1 3.5Å; F58-Y163 HydrophobicContact CD1-CE1 3.5Å; F58-Y163 HydrophobicContact CE1-CD1 4.37Å; F58-Y163 AromaticContact CE1-CE1 3.7Å; F58-Y163 HydrophobicContact CE1-CE1 3.7Å; F58-Y163 HydrophobicContact CG-CE1 4.46Å; A152-Y163 HydrophobicContact CB-CE1 4.2Å; A152-Y163 WeakPolarHBondContact CB-OH 3.22Å; K153-Y163 PolarHBondContact N-OH 3.04Å; D156-Y163 HydrophobicContact CB-CD2 4.09Å; D156-Y163 HydrophobicContact CB-CE2 3.68Å
164E92.9Very high93.4Very high116 Ų11652.2 Ų52.254%0.54230%0.302SS..PPolyproline II helixtrans-65.1129.2166-69.9-178.6-173.200109.6R57 H168R57-E164 WeakPolarHBondContact O-CG 3.47Å; R57-E164 PolarHBondContact O-N 3.38Å; E164-H168 WeakPolarHBondContact CB-NE2 3.41Å; E164-H168 PolarHBondContact O-CE1 2.9Å; E164-H168 VanDerWaalsContact O-CE1 3.28Å; E164-H168 IonicContact OE2-NE2 3.31Å
165P90.2Very high92.8Very high115 Ų11553.2 Ų53.275%0.74731%0.305SS*.SBendtrans-73.2149.4-17630.1-35.3000111.6H168P165-H168 PolarHBondContact O-CE1 2.88Å
166G89.3Confident91.9Very high32 Ų3255 Ų5533%0.3332%0.317SS..SBendtrans97.7-179.5178.900000113.2H168G166-H168 PolarHBondContact O-ND1 2.69Å
167F90.7Very high90.9Very high84 Ų8456 Ų5637%0.36832%0.321SS..  trans-90126.4-177.2-72.3-85000110.6W21 C30 I33 F169 L200W21-F167 HydrophobicContact CH2-CB 4.05Å; W21-F167 HydrophobicContact CH2-CD1 4.34Å; W21-F167 AromaticContact CH2-CD2 3.69Å; W21-F167 HydrophobicContact CH2-CD2 3.69Å; W21-F167 HydrophobicContact CH2-CE2 4.11Å; W21-F167 AromaticContact CH2-CG 3.77Å; W21-F167 HydrophobicContact CH2-CG 3.77Å; W21-F167 HydrophobicContact CZ2-CB 4.04Å; W21-F167 AromaticContact CZ2-CD2 3.38Å; W21-F167 HydrophobicContact CZ2-CD2 3.38Å; W21-F167 AromaticContact CZ2-CE2 3.93Å; W21-F167 HydrophobicContact CZ2-CE2 3.93Å; W21-F167 AromaticContact CZ2-CG 3.84Å; W21-F167 HydrophobicContact CZ2-CG 3.84Å; C30-F167 HydrophobicContact CB-CD2 4.07Å; C30-F167 HydrophobicContact CB-CE2 3.54Å; I33-F167 HydrophobicContact CG2-CB 4.41Å; F167-F169 HydrophobicContact CB-CD2 4.24Å; F167-F169 HydrophobicContact CB-CE2 3.74Å; F167-L200 HydrophobicContact CB-CD1 3.95Å; F167-L200 HydrophobicContact CD1-CD1 3.56Å; F167-L200 HydrophobicContact CD1-CD2 3.98Å; F167-L200 HydrophobicContact CD1-CG 4.06Å; F167-L200 HydrophobicContact CE1-CD2 4.16Å; F167-L200 HydrophobicContact CG-CD1 4.22Å
168H92.2Very high89.6Confident40 Ų4056.9 Ų56.919%0.18532%0.315CS..  trans-110.493.6-178.1-65.669.2000109.4V56 R57 E164 P165 G166 C201V56-H168 HydrophobicContact CG2-CB 3.8Å; R57-H168 HydrophobicContact CG-CB 4.17Å; E164-H168 WeakPolarHBondContact CB-NE2 3.41Å; E164-H168 PolarHBondContact O-CE1 2.9Å; E164-H168 VanDerWaalsContact O-CE1 3.28Å; E164-H168 IonicContact OE2-NE2 3.31Å; P165-H168 PolarHBondContact O-CE1 2.88Å; G166-H168 PolarHBondContact O-ND1 2.69Å; H168-C201 PolarHBondContact N-O 3.42Å; H168-C201 PolarHBondContact O-N 2.81Å
169F94.9Very high88.1Confident21 Ų2159.9 Ų59.99%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-80.2135.8177.1-71.4-83.8000111.1L17 W21 I33 F37 L38 F167 L198 L200L17-F169 HydrophobicContact CD1-CD1 4.47Å; L17-F169 HydrophobicContact CD1-CE1 4.14Å; W21-F169 AromaticContact CH2-CE2 3.54Å; W21-F169 HydrophobicContact CH2-CE2 3.54Å; W21-F169 AromaticContact CH2-CZ 3.66Å; W21-F169 HydrophobicContact CH2-CZ 3.66Å; W21-F169 HydrophobicContact CZ2-CE2 4.27Å; W21-F169 AromaticContact CZ3-CE2 3.81Å; W21-F169 HydrophobicContact CZ3-CE2 3.81Å; W21-F169 AromaticContact CZ3-CZ 3.64Å; W21-F169 HydrophobicContact CZ3-CZ 3.64Å; I33-F169 HydrophobicContact CG2-CD2 3.95Å; I33-F169 HydrophobicContact CG2-CE2 3.62Å; F37-F169 HydrophobicContact CB-CB 4.05Å; F37-F169 HydrophobicContact CD1-CB 3.65Å; F37-F169 HydrophobicContact CD1-CD2 4.46Å; F37-F169 HydrophobicContact CD1-CG 4.29Å; F37-F169 HydrophobicContact CD2-CB 3.55Å; F37-F169 HydrophobicContact CD2-CD1 4.5Å; F37-F169 HydrophobicContact CD2-CG 4.11Å; F37-F169 HydrophobicContact CE1-CB 3.91Å; F37-F169 AromaticContact CE1-CD2 3.92Å; F37-F169 HydrophobicContact CE1-CD2 3.92Å; F37-F169 HydrophobicContact CE1-CG 4.03Å; F37-F169 HydrophobicContact CE2-CB 3.8Å; F37-F169 HydrophobicContact CE2-CD1 4.06Å; F37-F169 HydrophobicContact CE2-CD2 4.37Å; F37-F169 AromaticContact CE2-CG 3.82Å; F37-F169 HydrophobicContact CE2-CG 3.82Å; F37-F169 HydrophobicContact CG-CB 3.48Å; F37-F169 VanDerWaalsContact CG-CB 3.48Å; F37-F169 HydrophobicContact CG-CG 4.34Å; F37-F169 HydrophobicContact CZ-CB 3.98Å; F37-F169 HydrophobicContact CZ-CD1 4.32Å; F37-F169 AromaticContact CZ-CD2 3.86Å; F37-F169 HydrophobicContact CZ-CD2 3.86Å; F37-F169 HydrophobicContact CZ-CE2 4.46Å; F37-F169 AromaticContact CZ-CG 3.79Å; F37-F169 HydrophobicContact CZ-CG 3.79Å; L38-F169 PolarHBondContact N-O 2.72Å; F167-F169 HydrophobicContact CB-CD2 4.24Å; F167-F169 HydrophobicContact CB-CE2 3.74Å; F169-L198 HydrophobicContact CB-CD1 4.11Å; F169-L198 HydrophobicContact CD1-CD1 3.97Å; F169-L198 HydrophobicContact CD1-CD2 3.87Å; F169-L198 HydrophobicContact CD1-CG 4Å; F169-L198 HydrophobicContact CE1-CD2 4.23Å; F169-L200 HydrophobicContact CD1-CD1 3.71Å; F169-L200 HydrophobicContact CD2-CD1 4.07Å; F169-L200 HydrophobicContact CE1-CB 4.33Å; F169-L200 HydrophobicContact CE1-CD1 3.4Å; F169-L200 VanDerWaalsContact CE1-CD1 3.4Å; F169-L200 HydrophobicContact CE1-CD2 4.23Å; F169-L200 HydrophobicContact CE1-CG 4.19Å; F169-L200 HydrophobicContact CE2-CD1 3.75Å; F169-L200 HydrophobicContact CG-CD1 4.04Å; F169-L200 HydrophobicContact CZ-CD1 3.42Å; F169-L200 VanDerWaalsContact CZ-CD1 3.42Å; F169-L200 HydrophobicContact CZ-CD2 4.3Å; F169-L200 HydrophobicContact CZ-CG 4.42Å
170L94.3Very high86.7Confident0 Ų064 Ų640%033%0.33CS..EExtended strand (participates in β ladder)trans-139.6126.1-179.517463.4000110.9L38 M40 P54 V56 I172 V199L38-L170 HydrophobicContact CB-CD1 3.78Å; L38-L170 HydrophobicContact CD2-CD1 3.79Å; L38-L170 HydrophobicContact CG-CD1 3.58Å; L38-L170 CarbonylContact O-C 3.54Å; L38-L170 WeakPolarHBondContact O-CA 3.43Å; L38-L170 VanDerWaalsContact O-CD1 3.32Å; L38-L170 WeakPolarHBondContact O-CD1 3.38Å; M40-L170 HydrophobicContact CB-CD1 3.71Å; M40-L170 HydrophobicContact CB-CD2 4.46Å; M40-L170 HydrophobicContact CB-CG 4.49Å; M40-L170 HydrophobicContact CE-CD1 4.31Å; M40-L170 HydrophobicContact CE-CD2 3.96Å; M40-L170 HydrophobicContact SD-CD2 4.38Å; P54-L170 HydrophobicContact CG-CD2 3.49Å; P54-L170 VanDerWaalsContact CG-CD2 3.49Å; V56-L170 HydrophobicContact CG1-CD2 3.78Å; L170-I172 HydrophobicContact CD1-CD1 4.43Å; L170-I172 HydrophobicContact CD2-CD1 3.55Å; L170-I172 HydrophobicContact CD2-CG1 4.42Å; L170-I172 HydrophobicContact CG-CD1 3.79Å; L170-I172 HydrophobicContact CG-CG1 4.46Å; L170-V199 PolarHBondContact N-O 3.21Å; L170-V199 PolarHBondContact O-N 2.98Å
171W95.6Very high84.9Confident13 Ų1365 Ų655%0.04934%0.335CS..EExtended strand (participates in β ladder)trans-82.2120.4164.2-68.8112.1000110.3Y10 I13 E14 F37 L38 L39 M40 A197 L198Y10-W171 AromaticContact CD1-CD2 3.5Å; Y10-W171 HydrophobicContact CD1-CD2 3.5Å; Y10-W171 AromaticContact CD1-CE2 3.56Å; Y10-W171 AromaticContact CD1-CE3 3.73Å; Y10-W171 HydrophobicContact CD1-CE3 3.73Å; Y10-W171 AromaticContact CD1-CG 3.99Å; Y10-W171 HydrophobicContact CD1-CG 3.99Å; Y10-W171 HydrophobicContact CD1-CH2 4.06Å; Y10-W171 AromaticContact CD1-CZ2 3.87Å; Y10-W171 HydrophobicContact CD1-CZ2 3.87Å; Y10-W171 AromaticContact CD1-CZ3 3.99Å; Y10-W171 HydrophobicContact CD1-CZ3 3.99Å; Y10-W171 AromaticContact CE1-CD2 3.8Å; Y10-W171 HydrophobicContact CE1-CD2 3.8Å; Y10-W171 AromaticContact CE1-CE3 3.72Å; Y10-W171 HydrophobicContact CE1-CE3 3.72Å; Y10-W171 HydrophobicContact CE1-CG 4.15Å; Y10-W171 HydrophobicContact CE1-CZ3 4.19Å; Y10-W171 HydrophobicContact CG-CD2 4.26Å; Y10-W171 HydrophobicContact CG-CG 4.41Å; I13-W171 HydrophobicContact CB-CH2 4Å; I13-W171 HydrophobicContact CB-CZ2 3.91Å; I13-W171 HydrophobicContact CG1-CH2 4.18Å; I13-W171 HydrophobicContact CG2-CH2 3.85Å; I13-W171 HydrophobicContact CG2-CZ2 3.8Å; E14-W171 PolarHBondContact OE1-NE1 3.33Å; F37-W171 AromaticContact CD2-NE1 3.83Å; L38-W171 PolarHBondContact O-N 2.84Å; L39-W171 CarbonylContact C-O 3.58Å; L39-W171 WeakPolarHBondContact CA-O 3.44Å; L39-W171 HydrophobicContact CB-CB 4.4Å; L39-W171 HydrophobicContact CG-CB 4.44Å; M40-W171 PolarHBondContact N-O 3.47Å; W171-A197 CarbonylContact C-O 3.59Å; W171-A197 WeakPolarHBondContact CA-O 3.24Å; W171-L198 HydrophobicContact CD2-CB 4.42Å; W171-L198 HydrophobicContact CD2-CD1 3.91Å; W171-L198 HydrophobicContact CE3-CB 3.88Å; W171-L198 HydrophobicContact CE3-CD1 4.23Å; W171-L198 HydrophobicContact CG-CD1 4.4Å; W171-L198 HydrophobicContact CH2-CB 3.78Å; W171-L198 HydrophobicContact CH2-CD1 4.35Å; W171-L198 HydrophobicContact CH2-CD2 4.34Å; W171-L198 HydrophobicContact CH2-CG 4.39Å; W171-L198 HydrophobicContact CZ2-CB 4.31Å; W171-L198 HydrophobicContact CZ2-CD1 4.02Å; W171-L198 HydrophobicContact CZ2-CD2 4.34Å; W171-L198 HydrophobicContact CZ2-CG 4.47Å; W171-L198 HydrophobicContact CZ3-CB 3.54Å; W171-L198 HydrophobicContact CZ3-CD1 4.46Å; W171-L198 HydrophobicContact CZ3-CG 4.5Å
172I92.7Very high83.3Confident1 Ų168.2 Ų68.21%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-93.1115.1162.7-58.5-54.5000108.1M40 Y42 A45 P54 L170 F175 S196 A197 V199M40-I172 HydrophobicContact CB-CD1 3.9Å; M40-I172 HydrophobicContact CG-CD1 4.26Å; M40-I172 CarbonylContact O-C 3.47Å; M40-I172 VanDerWaalsContact O-CA 3.25Å; M40-I172 WeakPolarHBondContact O-CA 3.32Å; M40-I172 HydrophobicContact SD-CD1 4.24Å; Y42-I172 HydrophobicContact CD2-CG2 4.42Å; A45-I172 HydrophobicContact CB-CD1 3.84Å; P54-I172 HydrophobicContact CG-CD1 4.25Å; L170-I172 HydrophobicContact CD1-CD1 4.43Å; L170-I172 HydrophobicContact CD2-CD1 3.55Å; L170-I172 HydrophobicContact CD2-CG1 4.42Å; L170-I172 HydrophobicContact CG-CD1 3.79Å; L170-I172 HydrophobicContact CG-CG1 4.46Å; I172-F175 HydrophobicContact CG2-CD2 4.3Å; I172-S196 CarbonylContact O-C 3.37Å; I172-S196 WeakPolarHBondContact O-CA 3.49Å; I172-A197 PolarHBondContact N-O 3.24Å; I172-A197 PolarHBondContact O-N 2.9Å; I172-V199 HydrophobicContact CG1-CG2 3.95Å
173N91.9Very high81.4Confident22 Ų2274.7 Ų74.712%0.11838%0.377CS..EExtended strand (participates in β ladder)trans-107.6179.1175.379.3-6.2000111.4Y10 M40 Q41 Y42 F175Y10-N173 WeakPolarHBondContact OH-CB 3.38Å; M40-N173 PolarHBondContact O-N 3.42Å; M40-N173 PolarHBondContact O-OD1 3.22Å; Q41-N173 VanDerWaalsContact CA-OD1 3.28Å; Q41-N173 WeakPolarHBondContact CA-OD1 3.41Å; Q41-N173 WeakPolarHBondContact CG-OD1 3.49Å; Y42-N173 PolarHBondContact N-O 2.68Å; N173-F175 PolarHBondContact O-N 3.19Å; N173-F175 VanDerWaalsContact O-N 3.12Å
174Q87.3Confident79.3Confident77 Ų7774.8 Ų74.836%0.3639%0.394SS..EExtended strand (participates in β ladder)trans57.327.7-178.1-58.2-61.3-43.300112.4Q41 Y194 C195Q41-Q174 HydrophobicContact CG-CG 4.48Å; Q174-Y194 HydrophobicContact CB-CD1 4.2Å; Q174-Y194 WeakPolarHBondContact O-CD1 3.21Å; Q174-Y194 VanDerWaalsContact OE1-CE2 3.26Å; Q174-C195 PolarHBondContact N-O 3.15Å
175F84.2Confident76.7Confident59 Ų5975.2 Ų75.226%0.25940%0.397SS..EExtended strand (participates in β ladder)trans-65.1125.2-179.2-162.1-76.9000109.2Y42 D52 I172 N173 L177 C195Y42-F175 AromaticContact CD2-CD2 3.5Å; Y42-F175 HydrophobicContact CD2-CD2 3.5Å; Y42-F175 AromaticContact CD2-CE2 3.68Å; Y42-F175 HydrophobicContact CD2-CE2 3.68Å; Y42-F175 HydrophobicContact CD2-CG 4.05Å; Y42-F175 HydrophobicContact CD2-CZ 4.32Å; Y42-F175 AromaticContact CE2-CD2 3.99Å; Y42-F175 HydrophobicContact CE2-CD2 3.99Å; Y42-F175 AromaticContact CE2-CE2 3.69Å; Y42-F175 HydrophobicContact CE2-CE2 3.69Å; Y42-F175 AromaticContact CE2-CZ 3.95Å; Y42-F175 HydrophobicContact CE2-CZ 3.95Å; Y42-F175 HydrophobicContact CG-CD2 4.46Å; D52-F175 HydrophobicContact CB-CE2 3.81Å; D52-F175 WeakPolarHBondContact OD2-CE2 3.24Å; I172-F175 HydrophobicContact CG2-CD2 4.3Å; N173-F175 PolarHBondContact O-N 3.19Å; N173-F175 VanDerWaalsContact O-N 3.12Å; F175-L177 PolarHBondContact O-N 3.4Å; F175-C195 HydrophobicContact CB-CB 4.26Å; F175-C195 VanDerWaalsContact CB-O 3.25Å; F175-C195 WeakPolarHBondContact CB-O 3.24Å; F175-C195 PolarHBondContact N-O 3.48Å; F175-C195 PolarHBondContact O-N 3.01Å
176P79.1Confident74.6Confident39 Ų3973.1 Ų73.125%0.25339%0.385SS..  trans-68.3127.5-178.528.5-34.1000109.2Y42 F178Y42-P176 HydrophobicContact CD1-CG 3.79Å; Y42-P176 HydrophobicContact CD2-CG 4.42Å; Y42-P176 HydrophobicContact CE1-CG 3.5Å; Y42-P176 VanDerWaalsContact CE1-CG 3.5Å; Y42-P176 HydrophobicContact CE2-CG 4.15Å; Y42-P176 HydrophobicContact CG-CG 4.24Å; P176-F178 PolarHBondContact O-N 2.88Å
177L74.1Confident72.6Confident97 Ų9774.9 Ų74.951%0.50839%0.391SS..SBendtrans-65.6-21.4178.9-168.964.7000112.7F175F175-L177 PolarHBondContact O-N 3.4Å
178F68.4Low70.1Confident106 Ų10680.4 Ų80.447%0.46542%0.415SS..SBendtrans-136.6142.6-177.4-56.5-68.9000111.3P176P176-F178 PolarHBondContact O-N 2.88Å
179E63.4Low67.6Low156 Ų15684 Ų8473%0.72943%0.432SS*.PPolyproline II helixtrans-78.2152171-68.7168.8-169.300110.9
180K63.9Low64.6Low152 Ų15291.9 Ų91.966%0.66147%0.466SS*.BIsolated β-bridgetrans-72.6132.6169.9-70.2-179.8-178.9176.10108.1
181N54.6Low62Low64 Ų64103.1 Ų103.134%0.34251%0.508SS..PPolyproline II helixtrans-70.2169.2170.664.417.7000110.8L183 G184 M185N181-L183 PolarHBondContact O-N 3.39Å; N181-L183 WeakPolarHBondContact OD1-CB 3.37Å; N181-L183 PolarHBondContact OD1-N 2.52Å; N181-G184 PolarHBondContact O-N 3.14Å; N181-G184 PolarHBondContact OD1-N 3.38Å; N181-M185 PolarHBondContact N-O 3.29Å; N181-M185 PolarHBondContact OD1-N 3.32Å; N181-M185 PolarHBondContact OD1-O 2.88Å
182N58.5Low59.4Low180 Ų180108.8 Ų108.896%0.96354%0.54SS*.THydrogen-bonded Turntrans-55.9-15.4179.5-64.3-19000114.5G184N182-G184 VanDerWaalsContact C-N 3.32Å
183L55.2Low57.3Low145 Ų145112.8 Ų112.876%0.75956%0.564SS**THydrogen-bonded Turntrans-90.25.3177.2-63.7167.8000112.7N181 M185N181-L183 PolarHBondContact O-N 3.39Å; N181-L183 WeakPolarHBondContact OD1-CB 3.37Å; N181-L183 PolarHBondContact OD1-N 2.52Å; L183-M185 HydrophobicContact CB-CG 4.31Å; L183-M185 PolarHBondContact O-N 2.96Å
184G52.2Low55.5Low52 Ų52116.1 Ų116.154%0.53658%0.576SS.*SBendtrans69.87.5-176.300000113.9N181 N182N181-G184 PolarHBondContact O-N 3.14Å; N181-G184 PolarHBondContact OD1-N 3.38Å; N182-G184 VanDerWaalsContact C-N 3.32Å
185M39Very low54.3Low125 Ų125115.3 Ų115.362%0.61658%0.578SS**  trans-90.1126.6179.3-58.6-172.58100109.7N181 L183 C187N181-M185 PolarHBondContact N-O 3.29Å; N181-M185 PolarHBondContact OD1-N 3.32Å; N181-M185 PolarHBondContact OD1-O 2.88Å; L183-M185 HydrophobicContact CB-CG 4.31Å; L183-M185 PolarHBondContact O-N 2.96Å; M185-C187 PolarHBondContact O-N 3.3Å
186C45.5Very low53.3Low71 Ų71114.6 Ų114.648%0.4858%0.58SS.*BIsolated β-bridgetrans-64.9129.7166-68.40000109.1K188C186-K188 PolarHBondContact O-N 3.2Å
187C46.1Very low52.8Low69 Ų69114.8 Ų114.847%0.46659%0.585SS.*  trans-60.2112.8160.9-66.80000107.1M185 Q189M185-C187 PolarHBondContact O-N 3.3Å; C187-Q189 PolarHBondContact O-N 2.89Å
188K39.5Very low52.5Low200 Ų200113 Ų11387%0.8758%0.576SS**  trans-33.5127.1-163.6-71.9178.3175.6177.30116C186C186-K188 PolarHBondContact O-N 3.2Å
189Q38.9Very low52.6Low116 Ų116108.6 Ų108.654%0.54256%0.557SS.*  trans-73.8132.9175.6-165.1162.513.400112C187 Y194C187-Q189 PolarHBondContact O-N 2.89Å; Q189-Y194 PolarHBondContact NE2-OH 2.86Å
190K33.2Very low52.8Low186 Ų186105.4 Ų105.481%0.80955%0.545SS*.  trans-88133.7151.8-92.8-177.1177.81770107.6N192K190-N192 PolarHBondContact O-N 2.77Å
191R37.9Very low52.7Low235 Ų23599.9 Ų99.989%0.88753%0.525SS*.THydrogen-bonded Turntrans-31.1124-176.6-68.1174.4179.2165.5-1.7113.7V193R191-V193 PolarHBondContact O-N 3.05Å; R191-V193 VanDerWaalsContact O-N 3.12Å
192N41.7Very low52.6Low133 Ų133101.7 Ų101.771%0.71153%0.534SS*.THydrogen-bonded Turntrans42.149159.8-68.2-5.8000116.6K190K190-N192 PolarHBondContact O-N 2.77Å
193V48.5Very low52.3Low85 Ų8597.5 Ų97.552%0.51551%0.511SS..  trans-107.198.2163.3-166.70000106.9R191R191-V193 PolarHBondContact O-N 3.05Å; R191-V193 VanDerWaalsContact O-N 3.12Å
194Y54Low52.2Low91 Ų9194.9 Ų94.936%0.35750%0.498SS..  trans-108.3136.4172.2-68.1-82.2000108.6Q174 Q189Q174-Y194 HydrophobicContact CB-CD1 4.2Å; Q174-Y194 WeakPolarHBondContact O-CD1 3.21Å; Q174-Y194 VanDerWaalsContact OE1-CE2 3.26Å; Q189-Y194 PolarHBondContact NE2-OH 2.86Å
195C62.2Low52.2Low61 Ų6197.4 Ų97.441%0.41250%0.495SS..EExtended strand (participates in β ladder)trans-91.9163176.1-73.20000110.9Q174 F175Q174-C195 PolarHBondContact N-O 3.15Å; F175-C195 HydrophobicContact CB-CB 4.26Å; F175-C195 VanDerWaalsContact CB-O 3.25Å; F175-C195 WeakPolarHBondContact CB-O 3.24Å; F175-C195 PolarHBondContact N-O 3.48Å; F175-C195 PolarHBondContact O-N 3.01Å
196S62.8Low53Low44 Ų4495.7 Ų95.731%0.30849%0.488SS..EExtended strand (participates in β ladder)trans-127.6144.1172.1-53.90000110.6Y10 I172Y10-S196 VanDerWaalsContact OH-CB 3.29Å; Y10-S196 WeakPolarHBondContact OH-CB 3.48Å; Y10-S196 PolarHBondContact OH-OG 3.03Å; I172-S196 CarbonylContact O-C 3.37Å; I172-S196 WeakPolarHBondContact O-CA 3.49Å
197A69.4Low53.5Low42 Ų4297.3 Ų97.335%0.34749%0.488SS..EExtended strand (participates in β ladder)trans-131.4138.4-179.600000110.7W171 I172W171-A197 CarbonylContact C-O 3.59Å; W171-A197 WeakPolarHBondContact CA-O 3.24Å; I172-A197 PolarHBondContact N-O 3.24Å; I172-A197 PolarHBondContact O-N 2.9Å
198L67.2Low54Low60 Ų6099.4 Ų99.431%0.31449%0.49SS..EExtended strand (participates in β ladder)trans-87.8120.5170.3-172.461.3000108.8I13 L17 F37 F169 W171I13-L198 HydrophobicContact CG2-CD2 4.05Å; L17-L198 HydrophobicContact CD1-CD2 3.81Å; F37-L198 HydrophobicContact CD2-CD1 3.82Å; F37-L198 HydrophobicContact CE2-CD1 4.28Å; F37-L198 HydrophobicContact CE2-CD2 4.46Å; F169-L198 HydrophobicContact CB-CD1 4.11Å; F169-L198 HydrophobicContact CD1-CD1 3.97Å; F169-L198 HydrophobicContact CD1-CD2 3.87Å; F169-L198 HydrophobicContact CD1-CG 4Å; F169-L198 HydrophobicContact CE1-CD2 4.23Å; W171-L198 HydrophobicContact CD2-CB 4.42Å; W171-L198 HydrophobicContact CD2-CD1 3.91Å; W171-L198 HydrophobicContact CE3-CB 3.88Å; W171-L198 HydrophobicContact CE3-CD1 4.23Å; W171-L198 HydrophobicContact CG-CD1 4.4Å; W171-L198 HydrophobicContact CH2-CB 3.78Å; W171-L198 HydrophobicContact CH2-CD1 4.35Å; W171-L198 HydrophobicContact CH2-CD2 4.34Å; W171-L198 HydrophobicContact CH2-CG 4.39Å; W171-L198 HydrophobicContact CZ2-CB 4.31Å; W171-L198 HydrophobicContact CZ2-CD1 4.02Å; W171-L198 HydrophobicContact CZ2-CD2 4.34Å; W171-L198 HydrophobicContact CZ2-CG 4.47Å; W171-L198 HydrophobicContact CZ3-CB 3.54Å; W171-L198 HydrophobicContact CZ3-CD1 4.46Å; W171-L198 HydrophobicContact CZ3-CG 4.5Å
199V72.2Confident55.1Low13 Ų1391.6 Ų91.68%0.07946%0.461CS..EExtended strand (participates in β ladder)trans-104133.9174.1-176.80000108K53 L170 I172K53-V199 HydrophobicContact CB-CG1 4.06Å; K53-V199 HydrophobicContact CG-CG1 4.4Å; K53-V199 HydrophobicContact CG-CG2 4.22Å; L170-V199 PolarHBondContact N-O 3.21Å; L170-V199 PolarHBondContact O-N 2.98Å; I172-V199 HydrophobicContact CG1-CG2 3.95Å
200L65.6Low56.5Low90 Ų9089.6 Ų89.647%0.47145%0.454SS..EExtended strand (participates in β ladder)trans-112.7126.1173.7-17759.6000108.8F167 F169F167-L200 HydrophobicContact CB-CD1 3.95Å; F167-L200 HydrophobicContact CD1-CD1 3.56Å; F167-L200 HydrophobicContact CD1-CD2 3.98Å; F167-L200 HydrophobicContact CD1-CG 4.06Å; F167-L200 HydrophobicContact CE1-CD2 4.16Å; F167-L200 HydrophobicContact CG-CD1 4.22Å; F169-L200 HydrophobicContact CD1-CD1 3.71Å; F169-L200 HydrophobicContact CD2-CD1 4.07Å; F169-L200 HydrophobicContact CE1-CB 4.33Å; F169-L200 HydrophobicContact CE1-CD1 3.4Å; F169-L200 VanDerWaalsContact CE1-CD1 3.4Å; F169-L200 HydrophobicContact CE1-CD2 4.23Å; F169-L200 HydrophobicContact CE1-CG 4.19Å; F169-L200 HydrophobicContact CE2-CD1 3.75Å; F169-L200 HydrophobicContact CG-CD1 4.04Å; F169-L200 HydrophobicContact CZ-CD1 3.42Å; F169-L200 VanDerWaalsContact CZ-CD1 3.42Å; F169-L200 HydrophobicContact CZ-CD2 4.3Å; F169-L200 HydrophobicContact CZ-CG 4.42Å
201C63.4Low58.6Low35 Ų3580.8 Ų80.824%0.23642%0.422CS..  trans-115.70174.1-57.20000111.1P54 R57 H168P54-C201 PolarHBondContact O-SG 2.79Å; R57-C201 WeakPolarHBondContact CD-OXT 3.49Å; R57-C201 HydrophobicContact CG-CB 4.03Å; R57-C201 PolarHBondContact NE-OXT 2.96Å; R57-C201 PolarHBondContact NH1-OXT 3.21Å; H168-C201 PolarHBondContact N-O 3.42Å; H168-C201 PolarHBondContact O-N 2.81Å

Retrieved 201 of 201 residues in 201.9 ms (Link to these results)

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